smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008297952 835748110 /nfs/dbraw/zinc/74/81/10/835748110.db2.gz MRKUWHPTCFLFJF-LESCRADOSA-N 0 3 369.469 1.886 40 0 biogenic,in-vitro FDABHN CN(C)CCN1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096228838 205859936 /nfs/dbraw/zinc/85/99/36/205859936.db2.gz HXDKRCFJYRBHTL-OAQYLSRUSA-N 0 3 359.514 1.732 40 0 FDABHN COCCN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 ZINC000105041353 206002798 /nfs/dbraw/zinc/00/27/98/206002798.db2.gz AXGPBFGIJPOVRJ-UHFFFAOYSA-N 0 3 354.472 1.428 40 0 FDABHN COCCN1C(=O)C[C@@H](C(=O)N2CCCNCC2)[C@@H]1c1cccc(C)c1 ZINC000257217705 206601014 /nfs/dbraw/zinc/60/10/14/206601014.db2.gz DAGPWTWRYSWREM-MJGOQNOKSA-N 0 3 359.470 1.353 40 0 FDABHN CCOc1cc(CNCCN(C)C)cc(Br)c1OCC(N)=O ZINC000022075606 263384897 /nfs/dbraw/zinc/38/48/97/263384897.db2.gz OMEOTLJGAIWVHT-UHFFFAOYSA-N 0 3 374.279 1.363 40 0 FDABHN CN(C)CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000010111511 518527254 /nfs/dbraw/zinc/52/72/54/518527254.db2.gz RYRVOHNVJLPQBQ-UHFFFAOYSA-N 0 3 361.467 1.560 40 0 FDABHN Cn1cncc1CN1CCC[C@H](c2cc(=O)[nH]c(N3CCCCC3)n2)C1 ZINC000019291829 518806009 /nfs/dbraw/zinc/80/60/09/518806009.db2.gz NLBNPTDKKSDHMK-HNNXBMFYSA-N 0 3 356.474 1.873 40 0 FDABHN COC(=O)[C@H](NC(=O)[C@H]1CN(C)C[C@@]12CCc1ccccc1C2=O)C(C)C ZINC000019445273 518811571 /nfs/dbraw/zinc/81/15/71/518811571.db2.gz NZOYZBFGZLDSBD-LZJOCLMNSA-N 0 3 372.465 1.677 40 0 FDABHN CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3ccccc3)CC1)C2=O ZINC000019700066 518826232 /nfs/dbraw/zinc/82/62/32/518826232.db2.gz AQUFWLWUGQZXTO-UHFFFAOYSA-N 0 3 370.453 1.307 40 0 FDABHN CC(=O)N1CCC(N(C)Cc2cc(N(C)C)nc([C@@H]3CCCN3)n2)CC1 ZINC000019760264 518835963 /nfs/dbraw/zinc/83/59/63/518835963.db2.gz FGYZNXMVPNTLKX-KRWDZBQOSA-N 0 3 360.506 1.410 40 0 FDABHN O=C(c1cc2ccc(F)cc2[nH]1)N1CCn2c(nnc2[C@@H]2CCCN2)C1 ZINC000072373950 522228021 /nfs/dbraw/zinc/22/80/21/522228021.db2.gz BLXLHXDEZIYDKR-ZDUSSCGKSA-N 0 3 354.389 1.979 40 0 FDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000073742962 522599457 /nfs/dbraw/zinc/59/94/57/522599457.db2.gz PXGPEFAIBSIUOU-CYBMUJFWSA-N 0 3 354.248 1.988 40 0 FDABHN CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)O1 ZINC000096063322 525129984 /nfs/dbraw/zinc/12/99/84/525129984.db2.gz GDWPPCIFNVAPOD-HKUYNNGSSA-N 0 3 350.434 1.706 40 0 FDABHN O=C(NCCN1CCCC1)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2nccs2)O1 ZINC000096082993 525131045 /nfs/dbraw/zinc/13/10/45/525131045.db2.gz AGIDCQAYFGQFPP-KFWWJZLASA-N 0 3 350.488 1.087 40 0 FDABHN CN(C)[C@H]1CCN(C(=O)[C@H]2c3c(ncn3C)CCN2Cc2ccccc2)C1 ZINC000096147172 525138936 /nfs/dbraw/zinc/13/89/36/525138936.db2.gz IUSKODJZYAYUPS-FXAWDEMLSA-N 0 3 367.497 1.682 40 0 FDABHN CN(C)[C@H]1CCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2C)C1 ZINC000096147574 525139155 /nfs/dbraw/zinc/13/91/55/525139155.db2.gz RKIXEOBZKCZZHN-KRWDZBQOSA-N 0 3 368.485 1.858 40 0 FDABHN COC[C@H]1CC2(CN1C)CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096207527 525149952 /nfs/dbraw/zinc/14/99/52/525149952.db2.gz PULPSSQCJJCXIX-OAHLLOKOSA-N 0 3 356.463 1.947 40 0 FDABHN O=S(=O)(N[C@@H]1CCO[C@]2(CCN(CC3CC3)C2)C1)c1ccccc1 ZINC000096206581 525150443 /nfs/dbraw/zinc/15/04/43/525150443.db2.gz WZGOIMKIUKUUIZ-SJLPKXTDSA-N 0 3 350.484 1.998 40 0 FDABHN COC[C@H]1CC2(CN1S(C)(=O)=O)CCN(Cc1ccccc1)CC2 ZINC000096220775 525151366 /nfs/dbraw/zinc/15/13/66/525151366.db2.gz ZKRLOERZDCDNPG-QGZVFWFLSA-N 0 3 352.500 1.949 40 0 FDABHN CN1CCN(C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2ccccn2)C3)CC1 ZINC000096228456 525152002 /nfs/dbraw/zinc/15/20/02/525152002.db2.gz MSKMDBQXHKNYPX-FXAWDEMLSA-N 0 3 358.486 1.340 40 0 FDABHN Cc1ccc(CN2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)cc1 ZINC000096216327 525152647 /nfs/dbraw/zinc/15/26/47/525152647.db2.gz WXPICYZFCGSXTG-QGZVFWFLSA-N 0 3 352.500 1.915 40 0 FDABHN CN(C)C(=O)CN1C[C@@H]2CN([C@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030578 537163489 /nfs/dbraw/zinc/16/34/89/537163489.db2.gz TVENHBIRKTWDRL-DYXWJJEUSA-N 0 3 357.498 1.439 40 0 FDABHN O[C@@H]1CCN(Cc2nc(C3(O)CCN(C4CCCC4)CC3)cs2)C1 ZINC000225464918 537549994 /nfs/dbraw/zinc/54/99/94/537549994.db2.gz IIMMSAYRJLNMRO-OAHLLOKOSA-N 0 3 351.516 1.936 40 0 biogenic,in-vitro FDABHN COc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)cc1 ZINC000306124139 537600556 /nfs/dbraw/zinc/60/05/56/537600556.db2.gz BHGLMPOMLWSNRN-DFQSSKMNSA-N 0 3 367.449 1.967 40 0 FDABHN O=S1(=O)C[C@H](O)[C@@H](NCCNC(c2ccccc2)c2ccccc2)C1 ZINC000575420419 550461865 /nfs/dbraw/zinc/46/18/65/550461865.db2.gz HSHNKSCGNSDQAO-ROUUACIJSA-N 0 3 360.479 1.113 40 0 FDABHN O=S(=O)(N1Cc2ccnn2[C@@H](CN2CCCCC2)C1)C(F)(F)F ZINC000585095435 551569081 /nfs/dbraw/zinc/56/90/81/551569081.db2.gz XWLIGMQCYZWTLP-LBPRGKRZSA-N 0 3 352.382 1.575 40 0 FDABHN CN(C)CCN1CCOCC2(CCN(C(=O)c3ccnc(F)c3)CC2)C1 ZINC000585102432 551571218 /nfs/dbraw/zinc/57/12/18/551571218.db2.gz HYMYJNAVPHEAKA-UHFFFAOYSA-N 0 3 364.465 1.337 40 0 FDABHN CCOc1ccc(CN2C[C@H](OC)[C@@H](CC(=O)N(C)C)C2)cc1CO ZINC000585278673 551578404 /nfs/dbraw/zinc/57/84/04/551578404.db2.gz QGNXKYFQJVDXSJ-YJBOKZPZSA-N 0 3 350.459 1.503 40 0 FDABHN O[C@H]1CCN(CC2(O)CCCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585287642 551579427 /nfs/dbraw/zinc/57/94/27/551579427.db2.gz PXAIQPYKKSVWJS-WMZOPIPTSA-N 0 3 373.852 1.961 40 0 FDABHN CCCCN(C)C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514288579 560034544 /nfs/dbraw/zinc/03/45/44/560034544.db2.gz IKIWXZZWYDPBHX-OKZBNKHCSA-N 0 3 370.515 1.040 40 0 biogenic,in-vitro FDABHN O[C@]1(CNCc2ccc(OCCF)cc2)CCCN(c2ncccn2)C1 ZINC000257220827 570626930 /nfs/dbraw/zinc/62/69/30/570626930.db2.gz DMIJQAUMCAXBBE-IBGZPJMESA-N 0 3 360.433 1.946 40 0 FDABHN Cc1ccsc1CN1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1 ZINC000306137465 571040303 /nfs/dbraw/zinc/04/03/03/571040303.db2.gz QXDNBBRDULSXFE-HUUCEWRRSA-N 0 3 372.494 1.804 40 0 FDABHN CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(C)n2)CC1 ZINC000306142104 571041842 /nfs/dbraw/zinc/04/18/42/571041842.db2.gz WPONQZSFNOZYDY-UHFFFAOYSA-N 0 3 354.458 1.570 40 0 FDABHN COc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4cnccn4)[C@H]3C2)cc1 ZINC000306141516 571042017 /nfs/dbraw/zinc/04/20/17/571042017.db2.gz VYVDCELSCILZPL-KVSKMBFKSA-N 0 3 368.437 1.362 40 0 FDABHN COc1cc(Nc2cc(C3CC3)nc(NCCN(C)C)n2)cc(OC)c1 ZINC000329022184 571107719 /nfs/dbraw/zinc/10/77/19/571107719.db2.gz OLPCGBGEOPUFOG-UHFFFAOYSA-N 0 3 357.458 1.932 40 0 FDABHN Cc1cc(Nc2cccc([C@@H]3CN(C(=O)[C@H]4CCCCN4)CCO3)n2)n[nH]1 ZINC000257206516 571149797 /nfs/dbraw/zinc/14/97/97/571149797.db2.gz BDVSWBWCOXXSHL-CVEARBPZSA-N 0 3 370.457 1.899 40 0 FDABHN COCCN1CC[C@@]2(NC(C)=O)CN(C(C)=O)[C@H](c3ccccc3)[C@H]2C1 ZINC000257254733 571154787 /nfs/dbraw/zinc/15/47/87/571154787.db2.gz KEKSSNGVOJZWAL-VAMGGRTRSA-N 0 3 359.470 1.433 40 0 FDABHN CCN(CC)CC(=O)N1CCO[C@@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000257263530 571155608 /nfs/dbraw/zinc/15/56/08/571155608.db2.gz LQJFDYWXTLBIOD-QGZVFWFLSA-N 0 3 370.457 1.857 40 0 FDABHN CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccccc2-n2cc(CN)cn2)C1 ZINC000257270758 571156295 /nfs/dbraw/zinc/15/62/95/571156295.db2.gz MVNZSOROEQLPNC-HNNXBMFYSA-N 0 3 355.442 1.271 40 0 FDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccc(C)n(C)c3=O)CCO2)c1 ZINC000257279230 571157584 /nfs/dbraw/zinc/15/75/84/571157584.db2.gz OFQYHPKPBLUHMM-KRWDZBQOSA-N 0 3 356.426 1.653 40 0 FDABHN CCN(Cc1ccc(NC(C)=O)cc1)C[C@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257233040 571321781 /nfs/dbraw/zinc/32/17/81/571321781.db2.gz GNLYIGGMTDTAJB-IBGZPJMESA-N 0 3 370.457 1.815 40 0 FDABHN C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](O)c1ccc([O-])c(C(N)=O)c1 ZINC000004213738 204126865 /nfs/dbraw/zinc/12/68/65/204126865.db2.gz MPQWSYJGFLADEW-SJCJKPOMSA-N 0 3 372.421 1.864 40 0 in-man FDABHN CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccc3)CN21 ZINC000035442313 204279139 /nfs/dbraw/zinc/27/91/39/204279139.db2.gz KWAVNBMVZFARRT-OTWHNJEPSA-N 0 3 372.513 1.366 40 0 biogenic,in-vitro FDABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccccc3)CN21)N1CCCC1 ZINC000035442255 204279583 /nfs/dbraw/zinc/27/95/83/204279583.db2.gz JIARIJNEARMUIX-OTWHNJEPSA-N 0 3 370.497 1.120 40 0 biogenic,in-vitro FDABHN O=C1CCCN1c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1 ZINC000007728153 204303938 /nfs/dbraw/zinc/30/39/38/204303938.db2.gz GLKIGNWTOFQHSW-UHFFFAOYSA-N 0 3 351.472 1.578 40 0 FDABHN COc1ccc(CN2CCn3c(CO)nnc3C2)cc1CN1CCCC1 ZINC000057822775 205246371 /nfs/dbraw/zinc/24/63/71/205246371.db2.gz HEPGQNBAWLESSM-UHFFFAOYSA-N 0 3 357.458 1.391 40 0 FDABHN O=C(NCC1CCOCC1)[C@H]1CN(Cc2ccsc2)[C@@H]2CCO[C@@H]21 ZINC000108526055 206032031 /nfs/dbraw/zinc/03/20/31/206032031.db2.gz QVMZBYBDKZFPSQ-GVDBMIGSSA-N 0 3 350.484 1.880 40 0 FDABHN Cc1cccnc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 ZINC000108533499 206034431 /nfs/dbraw/zinc/03/44/31/206034431.db2.gz XQMGIYXTTKWQEK-HNNXBMFYSA-N 0 3 353.488 1.453 40 0 FDABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218640404 206372582 /nfs/dbraw/zinc/37/25/82/206372582.db2.gz SGWAMMSXIIRHQT-HEHGZKQESA-N 0 3 358.435 1.558 40 0 FDABHN COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218120550 206367511 /nfs/dbraw/zinc/36/75/11/206367511.db2.gz PHHKHNDRWBZAAR-IXDOHACOSA-N 0 3 366.870 1.945 40 0 FDABHN COc1cc(N2CC[C@@H]3OCCC[C@]3(COCCN(C)C)C2)ncn1 ZINC000096039525 132217193 /nfs/dbraw/zinc/21/71/93/132217193.db2.gz RHYDGXPNESVTGM-MAUKXSAKSA-N 0 3 350.463 1.439 40 0 FDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1cccc(Cl)c1 ZINC000010339406 263365433 /nfs/dbraw/zinc/36/54/33/263365433.db2.gz HFZUIAPBMUGGHP-UONOGXRCSA-N 0 3 365.817 1.378 40 0 FDABHN CCOc1ncc(C2(O)CCN(C[C@@H]3CCOC3)CC2)c(OCC)n1 ZINC000012186402 263369757 /nfs/dbraw/zinc/36/97/57/263369757.db2.gz NMHNNMXUTXBMKT-AWEZNQCLSA-N 0 3 351.447 1.594 40 0 FDABHN CCN1CCC[C@@H]1CNC(=O)Cn1nc(C)n2c3ccoc3cc2c1=O ZINC000012115448 518589207 /nfs/dbraw/zinc/58/92/07/518589207.db2.gz WZJJLQLTEKMBQF-CYBMUJFWSA-N 0 3 357.414 1.151 40 0 FDABHN Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000019291258 518805391 /nfs/dbraw/zinc/80/53/91/518805391.db2.gz HHAPAHFHENEUBZ-HNAYVOBHSA-N 0 3 374.460 1.799 40 0 FDABHN O=C(CN1C[C@H]2CCC[C@@H](C1)C2N1CCOCC1)Nc1nccs1 ZINC000019406349 518809776 /nfs/dbraw/zinc/80/97/76/518809776.db2.gz PVGZOMUMHHSMLX-MZBDJJRSSA-N 0 3 350.488 1.514 40 0 FDABHN COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3CN(C)C)CC2=O)cc1 ZINC000019581888 518818271 /nfs/dbraw/zinc/81/82/71/518818271.db2.gz VZWNWAXXSRBOIA-WBVHZDCISA-N 0 3 359.470 1.991 40 0 FDABHN Cc1nn(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(C)c1C ZINC000019556512 518818619 /nfs/dbraw/zinc/81/86/19/518818619.db2.gz JFIFWKRUYUJPCK-QGZVFWFLSA-N 0 3 354.458 1.608 40 0 FDABHN COc1cccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1 ZINC000019565481 518818656 /nfs/dbraw/zinc/81/86/56/518818656.db2.gz DEHMPCWSLNLNGE-UHFFFAOYSA-N 0 3 370.453 1.216 40 0 FDABHN COc1cccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1 ZINC000019565481 518818663 /nfs/dbraw/zinc/81/86/63/518818663.db2.gz DEHMPCWSLNLNGE-UHFFFAOYSA-N 0 3 370.453 1.216 40 0 FDABHN CN1CCc2nc([C@@H]3CCCN(CC(=O)N4CCCCC4)C3)ncc2C1 ZINC000019590464 518820687 /nfs/dbraw/zinc/82/06/87/518820687.db2.gz CPYMFTKQVAHVOG-MRXNPFEDSA-N 0 3 357.502 1.656 40 0 FDABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)COc1ccccc1)C2 ZINC000019708624 518827611 /nfs/dbraw/zinc/82/76/11/518827611.db2.gz KIXJRRHTDJJCLW-MRXNPFEDSA-N 0 3 367.453 1.907 40 0 FDABHN Cc1ccc2c(c1)N(CC(=O)N1CCN(C3CCCC3)CC1)C(=O)CO2 ZINC000035314901 519602839 /nfs/dbraw/zinc/60/28/39/519602839.db2.gz HFUGGEYBEWPHFM-UHFFFAOYSA-N 0 3 357.454 1.807 40 0 FDABHN O=C(c1cc2ccc(F)cc2[nH]1)N1CCn2c(nnc2[C@H]2CCCN2)C1 ZINC000072373951 522229037 /nfs/dbraw/zinc/22/90/37/522229037.db2.gz BLXLHXDEZIYDKR-CYBMUJFWSA-N 0 3 354.389 1.979 40 0 FDABHN CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000054147526 523581943 /nfs/dbraw/zinc/58/19/43/523581943.db2.gz BZEFJFVRNIPPOC-HNNXBMFYSA-N 0 3 365.499 1.298 40 0 FDABHN Cc1ccc(CN2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnccn3)C2)o1 ZINC000096056223 525127378 /nfs/dbraw/zinc/12/73/78/525127378.db2.gz RCOHOPCIPILYPX-QILLFSRXSA-N 0 3 356.426 1.645 40 0 FDABHN Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)NCc4ccco4)[C@@H]3C2)cn1 ZINC000096100073 525132237 /nfs/dbraw/zinc/13/22/37/525132237.db2.gz JGOXJOWHPJDIOF-FGTMMUONSA-N 0 3 358.442 1.557 40 0 FDABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccc3ccccc3n1)C2 ZINC000096208781 525150392 /nfs/dbraw/zinc/15/03/92/525150392.db2.gz ONYKZUOZAOZIQS-UZLBHIALSA-N 0 3 355.438 1.446 40 0 FDABHN COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1ccccc1Cl)C2 ZINC000096217747 525153023 /nfs/dbraw/zinc/15/30/23/525153023.db2.gz KJWBEBJZMQKIGL-QAPCUYQASA-N 0 3 352.862 1.941 40 0 FDABHN CN1CCN(C[C@H]2CO[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC1 ZINC000096228470 525155258 /nfs/dbraw/zinc/15/52/58/525155258.db2.gz MFSVLOWSCXGOAV-UNMCSNQZSA-N 0 3 371.525 1.874 40 0 FDABHN COCCN1CC2(CCN(C)CC2)COc2ccccc2S1(=O)=O ZINC000096263525 525157794 /nfs/dbraw/zinc/15/77/94/525157794.db2.gz NOBKXMMPVXNKBP-UHFFFAOYSA-N 0 3 354.472 1.428 40 0 FDABHN O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 ZINC000097953826 525198011 /nfs/dbraw/zinc/19/80/11/525198011.db2.gz KOIKHQFWOTVOOS-ZYSHUDEJSA-N 0 3 359.470 1.399 40 0 FDABHN O=C(c1cccc2c1OCCO2)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 ZINC000247967921 537160299 /nfs/dbraw/zinc/16/02/99/537160299.db2.gz ZXHHZFANOKUYRQ-INIZCTEOSA-N 0 3 368.437 1.947 40 0 FDABHN CN(C)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2cncn21 ZINC000248112243 537166732 /nfs/dbraw/zinc/16/67/32/537166732.db2.gz KKAONOGYZHEWIE-MRXNPFEDSA-N 0 3 356.426 1.803 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585104584 551571915 /nfs/dbraw/zinc/57/19/15/551571915.db2.gz QOBRIAUDCCMONL-RTBURBONSA-N 0 3 374.481 1.860 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585104584 551571917 /nfs/dbraw/zinc/57/19/17/551571917.db2.gz QOBRIAUDCCMONL-RTBURBONSA-N 0 3 374.481 1.860 40 0 FDABHN CNC(=O)[C@]1(C)CN(CC2(O)CCN(c3ccccc3C)CC2)CCO1 ZINC000585286409 551579055 /nfs/dbraw/zinc/57/90/55/551579055.db2.gz 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/nfs/dbraw/zinc/83/00/40/518830040.db2.gz QFLQXUCILWFFHO-WIYYLYMNSA-N 0 3 366.465 1.794 40 0 FDABHN CC(=O)N[C@]12CN(C(C)=O)C[C@H]1CCN(Cc1cn(C)c3ccccc13)C2 ZINC000019713563 518830349 /nfs/dbraw/zinc/83/03/49/518830349.db2.gz PUEFVYWFOINZJQ-WIYYLYMNSA-N 0 3 368.481 1.737 40 0 FDABHN COCO[C@@H]1C=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@](C)(O5)[C@H]1O ZINC000253505458 522157152 /nfs/dbraw/zinc/15/71/52/522157152.db2.gz WVIJKZGJRVKCQR-DTBOICQTSA-N 0 3 373.449 1.634 40 0 biogenic,in-vitro FDABHN CN(C)CCNC(=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000054360951 523625387 /nfs/dbraw/zinc/62/53/87/523625387.db2.gz YYASIVMWWTVDQE-LCYFTJDESA-N 0 3 351.403 1.540 40 0 FDABHN COc1cccc(/C=C2\SC(=O)N(CC(=O)NCCN(C)C)C2=O)c1 ZINC000054360942 523625921 /nfs/dbraw/zinc/62/59/21/523625921.db2.gz PIIZWJNQWBTUQM-UVTDQMKNSA-N 0 3 363.439 1.409 40 0 FDABHN CNC(=O)CN1CCOC[C@@]2(CCCN(Cc3ccc(OC)cc3)C2)C1 ZINC000096049490 525128477 /nfs/dbraw/zinc/12/84/77/525128477.db2.gz DVDBKZSDJAYBKQ-HXUWFJFHSA-N 0 3 361.486 1.356 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/nfs/dbraw/zinc/15/06/86/525150686.db2.gz YSPPTHJVKWVDLI-DLBZAZTESA-N 0 3 353.488 1.453 40 0 FDABHN Cn1ccnc1CN1CCC2(CC1)COCCN(Cc1cccnc1)C2 ZINC000096239920 525154381 /nfs/dbraw/zinc/15/43/81/525154381.db2.gz KJNODIHWUOVQAY-UHFFFAOYSA-N 0 3 355.486 1.930 40 0 FDABHN COC[C@H]1CC2(CN1c1ncccn1)CCN(Cc1cnn(C)c1)CC2 ZINC000096240383 525155613 /nfs/dbraw/zinc/15/56/13/525155613.db2.gz RRTNOJBJPJXKRL-QGZVFWFLSA-N 0 3 356.474 1.718 40 0 FDABHN CC1CCN([C@H]2[C@@H](CNCc3cccc(Cl)c3)O[C@@H](CO)[C@H]2O)CC1 ZINC000096482536 525161670 /nfs/dbraw/zinc/16/16/70/525161670.db2.gz PGGIUCVLNLMDKS-YDZRNGNQSA-N 0 3 368.905 1.651 40 0 biogenic,in-vitro FDABHN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)Nc1cccc(Cl)c1 ZINC000020465039 526629446 /nfs/dbraw/zinc/62/94/46/526629446.db2.gz SWXOSIGJLWRHMD-FXUDXRNXSA-N 0 3 369.849 1.047 40 0 biogenic,in-vitro FDABHN O=C(NCC[C@H]1Cn2nccc2CN(C2CCOCC2)C1)c1ccco1 ZINC000247521609 537129478 /nfs/dbraw/zinc/12/94/78/537129478.db2.gz XSAFYYUVLQNHMH-OAHLLOKOSA-N 0 3 358.442 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/nfs/dbraw/zinc/04/08/69/571040869.db2.gz RXGJIORHKSDLMT-ZBFHGGJFSA-N 0 3 372.494 1.804 40 0 FDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 ZINC000306139730 571041660 /nfs/dbraw/zinc/04/16/60/571041660.db2.gz TYUPIAQSAXDZSJ-CABCVRRESA-N 0 3 357.433 1.860 40 0 FDABHN CN(C)CCNc1nc(NCCc2ccncc2)cc(-c2ccccn2)n1 ZINC000328962563 571105013 /nfs/dbraw/zinc/10/50/13/571105013.db2.gz BJDMIEWBNRGVOY-UHFFFAOYSA-N 0 3 363.469 1.406 40 0 FDABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2CCOCC2)C1 ZINC000257223975 571151853 /nfs/dbraw/zinc/15/18/53/571151853.db2.gz DZSOWPYOWAYPTK-LJQANCHMSA-N 0 3 350.434 1.648 40 0 FDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000252514101 571319680 /nfs/dbraw/zinc/31/96/80/571319680.db2.gz BFERPMGBDMFTQG-CPUCHLNUSA-N 0 3 372.462 1.948 40 0 FDABHN Cn1c(=O)c2ccc([C@H]3CCCCN3)nc2n(Cc2ccccc2)c1=O ZINC000257289653 571321737 /nfs/dbraw/zinc/32/17/37/571321737.db2.gz PZPSGYMAEVIVAE-MRXNPFEDSA-N 0 3 350.422 1.958 40 0 FDABHN O[C@@H]1[C@@H](n2cnc3ccccc32)[C@@H]2OC[C@@H](O2)[C@H]1NCc1cccc(F)c1 ZINC000952844869 960131155 /nfs/dbraw/zinc/13/11/55/960131155.db2.gz PSOGFRXKIKRWEH-LTFPLMDUSA-N 0 3 369.396 1.991 40 0 biogenic,in-vitro FDABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218640331 206372265 /nfs/dbraw/zinc/37/22/65/206372265.db2.gz SGWAMMSXIIRHQT-XEZPLFJOSA-N 0 3 358.435 1.558 40 0 FDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218651447 206373059 /nfs/dbraw/zinc/37/30/59/206373059.db2.gz BFERPMGBDMFTQG-GRDNDAEWSA-N 0 3 372.462 1.948 40 0 FDABHN CC(=O)N1CCc2nc([C@@H]3CCN(C(=O)[C@H](C)N4CCCC4)C3)ncc2C1 ZINC000019077727 518802558 /nfs/dbraw/zinc/80/25/58/518802558.db2.gz PXYVXLWBKSCFCA-GOEBONIOSA-N 0 3 371.485 1.181 40 0 FDABHN O=C(CN1Cc2ccccc2C1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019375537 518809975 /nfs/dbraw/zinc/80/99/75/518809975.db2.gz WGZFAJDAJKLDQE-IBGZPJMESA-N 0 3 363.465 1.802 40 0 FDABHN C[C@@H]1CCCN(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)C1 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COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)CO)cc1 ZINC000252516175 571319730 /nfs/dbraw/zinc/31/97/30/571319730.db2.gz QLIXGLJMKAXNKZ-CEXWTWQISA-N 0 3 361.463 1.881 40 0 FDABHN CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008300146 835791773 /nfs/dbraw/zinc/79/17/73/835791773.db2.gz QOEKDNQLMPOMNW-XHSDSOJGSA-N 0 3 361.490 1.275 40 0 biogenic,in-vitro FDABHN Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2cnccc2Cl)[C@@H]1O ZINC000952844909 960131361 /nfs/dbraw/zinc/13/13/61/960131361.db2.gz SDAFRPBCQJCAQG-DGXTUMSLSA-N 0 3 350.806 1.055 40 0 biogenic,in-vitro FDABHN COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)N(C)C)nn2)cc1 ZINC000008297572 291041264 /nfs/dbraw/zinc/04/12/64/291041264.db2.gz BTXBVZGJIVWUEX-JZXOWHBKSA-N 0 3 369.469 1.752 40 0 biogenic,in-vitro FDABHN O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000036627024 205018898 /nfs/dbraw/zinc/01/88/98/205018898.db2.gz TVPWTIZXLUBCAC-UHFFFAOYSA-N 0 3 364.453 1.882 40 0 FDABHN CN1CCN(CCCNC(=O)COc2ccc(Br)cc2)CC1 ZINC000061524219 205286804 /nfs/dbraw/zinc/28/68/04/205286804.db2.gz KAQSRARHITVTCZ-UHFFFAOYSA-N 0 3 370.291 1.582 40 0 FDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccc(F)cc1)CC[C@H]2OC ZINC000096218680 205854454 /nfs/dbraw/zinc/85/44/54/205854454.db2.gz FPGRPQMMVXBOLE-RCCFBDPRSA-N 0 3 350.434 1.562 40 0 FDABHN COc1ccc(CNC[C@@]2(COc3cccnc3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107283831 206243836 /nfs/dbraw/zinc/24/38/36/206243836.db2.gz TYRFKYZWFZGFDO-ACDBMABISA-N 0 3 358.438 1.761 40 0 biogenic,in-vitro FDABHN O=C(CN1CCCC1)N1CCC(c2nccnc2Nc2cnccn2)CC1 ZINC000257266405 206611213 /nfs/dbraw/zinc/61/12/13/206611213.db2.gz MCXBKLSCRFZTKK-UHFFFAOYSA-N 0 3 367.457 1.812 40 0 FDABHN Cn1ncc(Cl)c1CNCCCN1C(=O)NC2(CCCCC2)C1=O ZINC000548034828 542535211 /nfs/dbraw/zinc/53/52/11/542535211.db2.gz JNTCAPCAFRCGCB-UHFFFAOYSA-N 0 3 353.854 1.808 40 0 FDABHN COc1ccc(CN2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)cc1 ZINC000096049238 132217508 /nfs/dbraw/zinc/21/75/08/132217508.db2.gz YRUBXSHOXUKYDA-UHFFFAOYSA-N 0 3 368.437 1.883 40 0 FDABHN COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC2CCCCC2)nn1 ZINC000008298927 263354242 /nfs/dbraw/zinc/35/42/42/263354242.db2.gz QBHJRPSOPSDVTR-QGTPRVQTSA-N 0 3 361.490 1.584 40 0 biogenic,in-vitro FDABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)nc(OC)nc1OC ZINC000012239758 518599749 /nfs/dbraw/zinc/59/97/49/518599749.db2.gz HOYRERXXSQWLOX-CQSZACIVSA-N 0 3 350.463 1.725 40 0 FDABHN Cc1ccn(C[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)n1 ZINC000019237938 518806639 /nfs/dbraw/zinc/80/66/39/518806639.db2.gz OXXWABHQSRGPJS-KDOFPFPSSA-N 0 3 368.485 1.969 40 0 FDABHN CC1(C)C[C@@H](CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)C(=O)O1 ZINC000019460956 518812676 /nfs/dbraw/zinc/81/26/76/518812676.db2.gz APCKHURXNORNPR-IUODEOHRSA-N 0 3 358.442 1.518 40 0 FDABHN CCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 ZINC000019699836 518826486 /nfs/dbraw/zinc/82/64/86/518826486.db2.gz DVXWVVCMYAGPHD-OAHLLOKOSA-N 0 3 364.490 1.572 40 0 FDABHN O=C(CN1CCc2nnc([C@H]3CCCN3)n2CC1)Nc1ccc(F)cc1 ZINC000019706525 518828422 /nfs/dbraw/zinc/82/84/22/518828422.db2.gz YAWINSCEQVWGRS-OAHLLOKOSA-N 0 3 358.421 1.339 40 0 FDABHN O=S(=O)(c1cncc(Cl)c1N1CCNCC1)N1CCCCCC1 ZINC000072210767 522203713 /nfs/dbraw/zinc/20/37/13/522203713.db2.gz KTKJSAVFPFKFBR-UHFFFAOYSA-N 0 3 358.895 1.709 40 0 FDABHN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)CN(C)C)C3)n[nH]2)cc1 ZINC000072371616 522226192 /nfs/dbraw/zinc/22/61/92/522226192.db2.gz LDDKXPHJPPBLHZ-OAHLLOKOSA-N 0 3 372.469 1.917 40 0 FDABHN COc1ccc(CCC(=O)N2CCn3c(nnc3[C@H]3CCCN3)C2)cc1 ZINC000072373977 522227780 /nfs/dbraw/zinc/22/77/80/522227780.db2.gz KAYRFWBHNIFIAA-MRXNPFEDSA-N 0 3 355.442 1.686 40 0 FDABHN CN1[C@H](C(=O)N2CCN(C)CC2)C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000096054221 525127021 /nfs/dbraw/zinc/12/70/21/525127021.db2.gz OCCHUQFZKUGXHN-YTQUADARSA-N 0 3 360.477 1.104 40 0 FDABHN COc1ccc(CN2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)cc1 ZINC000096050352 525127542 /nfs/dbraw/zinc/12/75/42/525127542.db2.gz JMCLLPFKBYYMFW-HXUWFJFHSA-N 0 3 369.469 1.352 40 0 FDABHN COc1ccc(CN2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)cc1 ZINC000096056288 525127920 /nfs/dbraw/zinc/12/79/20/525127920.db2.gz JJVVLHHYBMVLEW-VDZJLULYSA-N 0 3 371.437 1.950 40 0 FDABHN O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096107986 525134131 /nfs/dbraw/zinc/13/41/31/525134131.db2.gz KXGUCBBOVBNFCA-WMLDXEAASA-N 0 3 354.447 1.557 40 0 FDABHN COCCNC(=O)[C@]12COC[C@H]1CN(Cc1ccc3ccccc3n1)C2 ZINC000096110033 525135035 /nfs/dbraw/zinc/13/50/35/525135035.db2.gz ISGLIMAHTHHMGH-OXQOHEQNSA-N 0 3 355.438 1.446 40 0 FDABHN COC[C@@H]1CC2(CN1c1ncccn1)CCN(Cc1cnn(C)c1)CC2 ZINC000096240384 525154832 /nfs/dbraw/zinc/15/48/32/525154832.db2.gz RRTNOJBJPJXKRL-KRWDZBQOSA-N 0 3 356.474 1.718 40 0 FDABHN Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)N2CCOCC2)C1 ZINC000097953336 525197137 /nfs/dbraw/zinc/19/71/37/525197137.db2.gz SYSFLPVIORFJGA-NVXWUHKLSA-N 0 3 351.472 1.291 40 0 FDABHN O=C(CO[C@H]1Cn2cccc2CN(CC2CCOCC2)C1)N1CCCC1 ZINC000247747124 537147950 /nfs/dbraw/zinc/14/79/50/537147950.db2.gz SEPJPFXTFZADHI-LJQANCHMSA-N 0 3 361.486 1.738 40 0 FDABHN CN(C)C(=O)CN1C[C@@H]2CN([C@@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030579 537163534 /nfs/dbraw/zinc/16/35/34/537163534.db2.gz TVENHBIRKTWDRL-SBHAEUEKSA-N 0 3 357.498 1.439 40 0 FDABHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2cncn21 ZINC000248146795 537168755 /nfs/dbraw/zinc/16/87/55/537168755.db2.gz VZKQMKOXBOMRKR-CYBMUJFWSA-N 0 3 354.863 1.844 40 0 FDABHN CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(OC)cc2)CC1 ZINC000306125694 537601140 /nfs/dbraw/zinc/60/11/40/537601140.db2.gz CYJFCRNBMOKVNL-UHFFFAOYSA-N 0 3 369.469 1.875 40 0 FDABHN O=C(c1cc(=O)[n-]cn1)N1Cc2ccnn2CC[C@H]1C[NH+]1CCCCC1 ZINC000585096980 551569326 /nfs/dbraw/zinc/56/93/26/551569326.db2.gz GJDNXFAEZUNTEQ-AWEZNQCLSA-N 0 3 356.430 1.279 40 0 FDABHN COCCn1nccc1C(=O)N1CCC[C@]2(CCN2C[C@@H]2CCCO2)C1 ZINC000585101960 551570615 /nfs/dbraw/zinc/57/06/15/551570615.db2.gz NGVZZGOTVXXJOX-LPHOPBHVSA-N 0 3 362.474 1.389 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104583 551571700 /nfs/dbraw/zinc/57/17/00/551571700.db2.gz QOBRIAUDCCMONL-RBUKOAKNSA-N 0 3 374.481 1.860 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104583 551571703 /nfs/dbraw/zinc/57/17/03/551571703.db2.gz QOBRIAUDCCMONL-RBUKOAKNSA-N 0 3 374.481 1.860 40 0 FDABHN O=C(C[C@@]1(COc2cccc(Cl)c2)CNCCO1)N1CCOCC1 ZINC000585271014 551576558 /nfs/dbraw/zinc/57/65/58/551576558.db2.gz DXSBXQNPKKMAIR-KRWDZBQOSA-N 0 3 354.834 1.326 40 0 FDABHN CC(C)(C)c1nccc(C[C@H]2[C@H](NCc3ccccn3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382053 553870696 /nfs/dbraw/zinc/87/06/96/553870696.db2.gz BDEPDKHMNNUXME-NCXUSEDFSA-N 0 3 370.497 1.859 40 0 biogenic,in-vitro FDABHN CN(C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408708719 570659945 /nfs/dbraw/zinc/65/99/45/570659945.db2.gz LLKGBJPKJMXXNC-UHFFFAOYSA-N 0 3 368.437 1.233 40 0 FDABHN O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008298456 570679879 /nfs/dbraw/zinc/67/98/79/570679879.db2.gz DZSZSFDLBIDLDC-QBIMZIAESA-N 0 3 367.453 1.640 40 0 biogenic,in-vitro FDABHN CC(C)CNC(=O)c1nnc2n1CCN1CCN(CC3CCCCC3)C[C@@H]21 ZINC000306140130 571041466 /nfs/dbraw/zinc/04/14/66/571041466.db2.gz ULGJILZGYIIYPE-KRWDZBQOSA-N 0 3 374.533 1.917 40 0 FDABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 ZINC000257233395 571152597 /nfs/dbraw/zinc/15/25/97/571152597.db2.gz GPCSVVPXWLIDCQ-KRWDZBQOSA-N 0 3 358.446 1.428 40 0 FDABHN CCN1CCN(C(=O)CN)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257252114 571154485 /nfs/dbraw/zinc/15/44/85/571154485.db2.gz JTPOQXJQPZEDMH-GOSISDBHSA-N 0 3 366.465 1.557 40 0 FDABHN COc1ccc(CN(C)C[C@]2(O)CCN(S(=O)(=O)C(C)C)C2)cc1 ZINC000257284434 571158113 /nfs/dbraw/zinc/15/81/13/571158113.db2.gz PCRQKRBLBGNHNT-QGZVFWFLSA-N 0 3 356.488 1.302 40 0 FDABHN CN(C)CCOc1cccc(C(=O)N(C)[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)c1 ZINC000257300086 571159600 /nfs/dbraw/zinc/15/96/00/571159600.db2.gz RSURTMVRIROUKI-GUDVDZBRSA-N 0 3 372.469 1.660 40 0 FDABHN Cc1ccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)c(=O)[nH]1 ZINC000257302951 571159899 /nfs/dbraw/zinc/15/98/99/571159899.db2.gz SFCQORLAZQJVFS-MRXNPFEDSA-N 0 3 355.385 1.404 40 0 FDABHN CN1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)c1cnccn1)CC[C@H]2O ZINC000257340401 571163293 /nfs/dbraw/zinc/16/32/93/571163293.db2.gz ZFXCMQAQYVKMFP-AITUJVMLSA-N 0 3 352.438 1.397 40 0 FDABHN CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 ZINC000008298067 835747305 /nfs/dbraw/zinc/74/73/05/835747305.db2.gz WSBDNIAFXDFXGF-JQHSSLGASA-N 0 3 361.490 1.190 40 0 biogenic,in-vitro FDABHN COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3nc(C)cc3C)[C@H]2O)cc1 ZINC000952844920 960131478 /nfs/dbraw/zinc/13/14/78/960131478.db2.gz TVMWXFNZAMICOF-IEWDOMPSSA-N 0 3 359.426 1.324 40 0 biogenic,in-vitro FDABHN CN(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000119235761 209350669 /nfs/dbraw/zinc/35/06/69/209350669.db2.gz XFXCDQMALGVRNN-ZDUSSCGKSA-N 0 3 373.906 1.419 40 0 FDABHN CN1CCC(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)CC1 ZINC000113964860 209340400 /nfs/dbraw/zinc/34/04/00/209340400.db2.gz FTWUQZNUWBIQMK-UHFFFAOYSA-N 0 3 371.478 1.582 40 0 FDABHN CN(C)[C@@H]1CCN(C(=O)[C@H]2c3c(ncn3C)CCN2Cc2ccccc2)C1 ZINC000107186361 209275609 /nfs/dbraw/zinc/27/56/09/209275609.db2.gz IUSKODJZYAYUPS-YLJYHZDGSA-N 0 3 367.497 1.682 40 0 FDABHN COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)[C@H](O)C=C4[C@H](C2)N(C)CC[C@]341 ZINC000096316396 209149850 /nfs/dbraw/zinc/14/98/50/209149850.db2.gz LQIKGKFOKAXCRM-ZZGUTQAHSA-N 0 3 371.433 1.577 40 0 biogenic,in-vitro FDABHN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 ZINC000096066127 209107288 /nfs/dbraw/zinc/10/72/88/209107288.db2.gz FDGMSBNGTCJMQS-KFKAGJAMSA-N 0 3 359.470 1.698 40 0 FDABHN C[C@@H](Cn1cccn1)C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019457600 220260736 /nfs/dbraw/zinc/26/07/36/220260736.db2.gz ANGTZARLHBEBRS-WMLDXEAASA-N 0 3 354.458 1.709 40 0 FDABHN CN(C)Cc1cc(=O)n2c(n1)CN(C(=O)Cc1cccc(F)c1)CCC2 ZINC000096068092 209106192 /nfs/dbraw/zinc/10/61/92/209106192.db2.gz SJLWCUCCQZOYIO-UHFFFAOYSA-N 0 3 358.417 1.419 40 0 FDABHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 ZINC000096041036 209098810 /nfs/dbraw/zinc/09/88/10/209098810.db2.gz FDGMSBNGTCJMQS-SNRMKQJTSA-N 0 3 359.470 1.698 40 0 FDABHN O=C(NCc1ccccc1)[C@H]1CNC[C@H](C(=O)NCc2ccccc2)C1 ZINC000001714856 518234555 /nfs/dbraw/zinc/23/45/55/518234555.db2.gz OWUQXQLSZGJMBR-RTBURBONSA-N 0 3 351.450 1.845 40 0 FDABHN Cn1nc(C2CC2)cc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019288827 518806676 /nfs/dbraw/zinc/80/66/76/518806676.db2.gz RYMLBBVSVGEWCS-INIZCTEOSA-N 0 3 352.442 1.711 40 0 FDABHN COc1ccccc1CC(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019569489 518819390 /nfs/dbraw/zinc/81/93/90/518819390.db2.gz IJRDDGPUDUIOAF-HNNXBMFYSA-N 0 3 352.438 1.690 40 0 FDABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C(C)C)C1)C2=O ZINC000019699902 518825690 /nfs/dbraw/zinc/82/56/90/518825690.db2.gz ILVCFPSXYGUKPF-CQSZACIVSA-N 0 3 350.463 1.040 40 0 FDABHN CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCCC3)CC1)C2=O ZINC000019699494 518826589 /nfs/dbraw/zinc/82/65/89/518826589.db2.gz ZZPWDHXYEKIVLJ-UHFFFAOYSA-N 0 3 362.474 1.184 40 0 FDABHN COc1ccc(CCC(=O)N2CCC[C@@H]2c2nnc3n2CCNCC3)cc1 ZINC000019710752 518827863 /nfs/dbraw/zinc/82/78/63/518827863.db2.gz UPTCWRPZXXUULP-QGZVFWFLSA-N 0 3 369.469 1.729 40 0 FDABHN CCN1CCN(C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000041689840 519664752 /nfs/dbraw/zinc/66/47/52/519664752.db2.gz DMIGJWAXIOYLTP-DIGXMAGLSA-N 0 3 366.546 1.987 40 0 FDABHN N[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](c2ccnc3nccn32)C1 ZINC000072360638 522224506 /nfs/dbraw/zinc/22/45/06/522224506.db2.gz STCXQKWIPUPOOT-GOEBONIOSA-N 0 3 353.401 1.754 40 0 FDABHN CC(=O)NCC(=O)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355200 522226614 /nfs/dbraw/zinc/22/66/14/522226614.db2.gz WQLLMAXLBYYDJE-QGZVFWFLSA-N 0 3 358.486 1.463 40 0 FDABHN CN1CC[C@H](c2nn(CCNC(=O)c3ccccc3)c3nccnc23)C1 ZINC000072391610 522232823 /nfs/dbraw/zinc/23/28/23/522232823.db2.gz ICNRMYBTNGBCCT-HNNXBMFYSA-N 0 3 350.426 1.675 40 0 FDABHN O=C(c1cccc(Cl)c1)N1CCC(N2CCN(CCO)CC2)CC1 ZINC000019888784 526758549 /nfs/dbraw/zinc/75/85/49/526758549.db2.gz DTHFCGQJBNUTEA-UHFFFAOYSA-N 0 3 351.878 1.555 40 0 FDABHN COC[C@H]1CN(Cc2ccco2)CC12CCN(S(=O)(=O)N(C)C)CC2 ZINC000247920767 537157668 /nfs/dbraw/zinc/15/76/68/537157668.db2.gz CFHDWCARKKEYDJ-OAHLLOKOSA-N 0 3 371.503 1.246 40 0 FDABHN COc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218072297 537458541 /nfs/dbraw/zinc/45/85/41/537458541.db2.gz ZVTJNXILWRHLIV-KEYYUXOJSA-N 0 3 370.471 1.428 40 0 FDABHN Cc1cccc(OC[C@H]2C[C@@H](NCc3cccc4c3OCO4)[C@H](O)[C@@H]2O)n1 ZINC000225502404 537552280 /nfs/dbraw/zinc/55/22/80/537552280.db2.gz JCLRPODIGWYABQ-RGCFKVTRSA-N 0 3 372.421 1.398 40 0 biogenic,in-vitro FDABHN CCS(=O)(=O)NC[C@H]1CO[C@@H]2CN(Cc3cccc4[nH]ccc43)C[C@H]12 ZINC000306125437 537600817 /nfs/dbraw/zinc/60/08/17/537600817.db2.gz CQWGVABALWVFPG-YXJHDRRASA-N 0 3 363.483 1.554 40 0 FDABHN Cc1cc(C)c(S(=O)(=O)N(CCN)[C@]2(C)CCS(=O)(=O)C2)cc1C ZINC000575420474 550462129 /nfs/dbraw/zinc/46/21/29/550462129.db2.gz BXWVRXJJQXDRML-MRXNPFEDSA-N 0 3 374.528 1.138 40 0 FDABHN CN(C)C(=O)CN1CCC[C@]12CCCN(C(=O)Cc1cccc(O)c1)CC2 ZINC000585100012 551571000 /nfs/dbraw/zinc/57/10/00/551571000.db2.gz CICKWXJYUBWFFM-NRFANRHFSA-N 0 3 373.497 1.870 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@H](C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585104594 551572052 /nfs/dbraw/zinc/57/20/52/551572052.db2.gz QVRYFAQCVALUAI-ROUUACIJSA-N 0 3 360.454 1.470 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@H](C[N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585104594 551572053 /nfs/dbraw/zinc/57/20/53/551572053.db2.gz QVRYFAQCVALUAI-ROUUACIJSA-N 0 3 360.454 1.470 40 0 FDABHN Cn1cc(C(=O)N2C[C@@H]3CN(CC4CCOCC4)C[C@@H]32)c(C(F)F)n1 ZINC000585108233 551572521 /nfs/dbraw/zinc/57/25/21/551572521.db2.gz ALQCOEIGLLQULQ-JSGCOSHPSA-N 0 3 354.401 1.541 40 0 FDABHN Cc1cc(OC[C@@]2(O)COCCN(CC3(O)CCOCC3)C2)ccc1F ZINC000585282164 551578890 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COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3c(C)noc3C)C[C@H]21 ZINC000096057194 209104390 /nfs/dbraw/zinc/10/43/90/209104390.db2.gz DJUUSOOKSDAUQD-INMHGKMJSA-N 0 3 351.447 1.139 40 0 FDABHN C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H](O)c1ccc([O-])c(C(N)=O)c1 ZINC000001570643 518233318 /nfs/dbraw/zinc/23/33/18/518233318.db2.gz MPQWSYJGFLADEW-PXAZEXFGSA-N 0 3 372.421 1.864 40 0 in-man FDABHN O=c1[nH]ncc(NCCNC[C@@H](O)COc2ccccc2Cl)c1Cl ZINC000001999464 518236912 /nfs/dbraw/zinc/23/69/12/518236912.db2.gz UUWABVCZFXKHSU-SNVBAGLBSA-N 0 3 373.240 1.518 40 0 in-man FDABHN CCNC(=S)N(CCN(C)C)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000004133612 518287303 /nfs/dbraw/zinc/28/73/03/518287303.db2.gz MQBAIKIZHIFUCE-UHFFFAOYSA-N 0 3 362.499 1.795 40 0 FDABHN CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(N)c2)nn1 ZINC000008253914 518465530 /nfs/dbraw/zinc/46/55/30/518465530.db2.gz OKTGAMBNGFVROX-XYPHTWIQSA-N 0 3 354.458 1.326 40 0 biogenic,in-vitro FDABHN Cc1ccnn1[C@H](C)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019238259 518805858 /nfs/dbraw/zinc/80/58/58/518805858.db2.gz HKCJPFYMSQKPIN-HZPDHXFCSA-N 0 3 368.485 1.937 40 0 FDABHN Cc1ccnn1CCC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019238415 518806783 /nfs/dbraw/zinc/80/67/83/518806783.db2.gz HBWAABRKFPKTEA-UHFFFAOYSA-N 0 3 368.485 1.766 40 0 FDABHN COCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)CC1 ZINC000019448470 518811811 /nfs/dbraw/zinc/81/18/11/518811811.db2.gz ZRKGVHUERCWRFJ-UHFFFAOYSA-N 0 3 362.474 1.279 40 0 FDABHN Cc1c(CN2CCN(C[C@H]3CCCO3)CC2)c2ccccc2n1CC(N)=O ZINC000019581869 518819052 /nfs/dbraw/zinc/81/90/52/518819052.db2.gz XYCYDFQENGFJPE-QGZVFWFLSA-N 0 3 370.497 1.732 40 0 FDABHN Cc1nn(CCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1C ZINC000019557097 518819450 /nfs/dbraw/zinc/81/94/50/518819450.db2.gz ZPFWWOBWFGHJHJ-GOSISDBHSA-N 0 3 368.485 1.998 40 0 FDABHN O=C(c1ccc2c(c1)OCCO2)N1CCc2nnc([C@@H]3CCCN3)n2CC1 ZINC000019706514 518828021 /nfs/dbraw/zinc/82/80/21/518828021.db2.gz JJHDZAQVNGHRTB-AWEZNQCLSA-N 0 3 369.425 1.172 40 0 FDABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)Cc1c(C)noc1C)C2 ZINC000019707425 518828496 /nfs/dbraw/zinc/82/84/96/518828496.db2.gz VOYOGFVIDBXUQQ-HNNXBMFYSA-N 0 3 370.457 1.675 40 0 FDABHN c1ccc2c(c1)OC[C@@H](CNCCNC[C@H]1COc3ccccc3O1)O2 ZINC000023478543 518953852 /nfs/dbraw/zinc/95/38/52/518953852.db2.gz ZCQSZDBAOLKWID-IYBDPMFKSA-N 0 3 356.422 1.846 40 0 FDABHN CCCN1CCN(CCCN2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)CC1 ZINC000026957179 519150558 /nfs/dbraw/zinc/15/05/58/519150558.db2.gz MURHACRHKGGHOW-JKSUJKDBSA-N 0 3 353.894 1.922 40 0 FDABHN Cc1nccn1C[C@]1(O)CN(C)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000072354531 522221560 /nfs/dbraw/zinc/22/15/60/522221560.db2.gz FOGQHEVHIIYYNZ-HXUWFJFHSA-N 0 3 374.460 1.469 40 0 FDABHN CN(C)C[C@@H]1CN(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CCO1 ZINC000172118241 524120702 /nfs/dbraw/zinc/12/07/02/524120702.db2.gz QBINOCJPTZMTJI-GOSISDBHSA-N 0 3 374.485 1.263 40 0 FDABHN CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N(C)CCN(C)C ZINC000096112996 525135451 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40 0 FDABHN O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccn4)C3)N2C1 ZINC000514290151 560030270 /nfs/dbraw/zinc/03/02/70/560030270.db2.gz UOAUXLAXILLJDA-NHCUHLMSSA-N 0 3 364.493 1.587 40 0 biogenic,in-vitro FDABHN CN(Cc1ccc(OCCF)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000257278127 570627020 /nfs/dbraw/zinc/62/70/20/570627020.db2.gz OAXYMJVSOHUTME-IBGZPJMESA-N 0 3 360.433 1.898 40 0 FDABHN CC(C)Nc1nc(NCCN2CCN(C)CC2)cc(-c2ccccc2)n1 ZINC000328995110 571106663 /nfs/dbraw/zinc/10/66/63/571106663.db2.gz JGBAYWZSMONFKR-UHFFFAOYSA-N 0 3 354.502 1.467 40 0 FDABHN CC(C)Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)[n-]c(=O)n1 ZINC000257256700 571155042 /nfs/dbraw/zinc/15/50/42/571155042.db2.gz KMMLRSMDYDVDHF-SFHVURJKSA-N 0 3 350.463 1.300 40 0 FDABHN CCCS(=O)(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(C)[C@@H]2C1 ZINC000257264721 571155614 /nfs/dbraw/zinc/15/56/14/571155614.db2.gz LVUAWVKVYNXJSJ-MLHJIOFPSA-N 0 3 352.500 1.507 40 0 FDABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(F)cc1 ZINC000252514104 571319688 /nfs/dbraw/zinc/31/96/88/571319688.db2.gz BGOVWFCZECJKAB-XJKCOSOUSA-N 0 3 358.435 1.558 40 0 FDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(CN)COC ZINC000252516162 571319785 /nfs/dbraw/zinc/31/97/85/571319785.db2.gz QKADZLWLXDYNMR-MCIONIFRSA-N 0 3 362.289 1.941 40 0 FDABHN CN(C)CCNc1nc(Nc2ccc3c(c2)OCO3)cc(C(F)(F)F)n1 ZINC000328971255 206724657 /nfs/dbraw/zinc/72/46/57/206724657.db2.gz DOZIMNFPQYPMOH-UHFFFAOYSA-N 0 3 369.347 1.785 40 0 FDABHN COc1ccc(CNC[C@H]2OCCc3cn(CC(=O)N(C)C)nc32)cc1 ZINC000096059733 209104020 /nfs/dbraw/zinc/10/40/20/209104020.db2.gz PPBXQCQLHFWOHU-QGZVFWFLSA-N 0 3 358.442 1.384 40 0 FDABHN CN(C)C(=O)[C@]12CN(Cc3ccccn3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251141 132224243 /nfs/dbraw/zinc/22/42/43/132224243.db2.gz VKWHTWDRXSCNJP-YLJYHZDGSA-N 0 3 366.469 1.431 40 0 FDABHN CN1CCN(c2ncnc3c2CCN(Cc2ccc(F)cc2)CC3)CC1 ZINC000096255678 132224609 /nfs/dbraw/zinc/22/46/09/132224609.db2.gz XOJAKIAPGWPFJW-UHFFFAOYSA-N 0 3 355.461 1.968 40 0 FDABHN O=C(CN1CCCCC1)NCCN1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012326165 518604878 /nfs/dbraw/zinc/60/48/78/518604878.db2.gz NIBHCMDJLBPLNL-UHFFFAOYSA-N 0 3 363.477 1.711 40 0 FDABHN Cc1ccn(C[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)n1 ZINC000019237986 518806509 /nfs/dbraw/zinc/80/65/09/518806509.db2.gz QESFRBVKZVLHQK-DYVFJYSZSA-N 0 3 354.458 1.627 40 0 FDABHN CCN(CC)CC(=O)N1CCc2nc([C@@H]3CCN(C(C)=O)C3)ncc2C1 ZINC000019526332 518814828 /nfs/dbraw/zinc/81/48/28/518814828.db2.gz UDNYOMAZWWABCS-OAHLLOKOSA-N 0 3 359.474 1.039 40 0 FDABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)COC[C@H]2CCCO2)C3)CC1 ZINC000019588292 518821460 /nfs/dbraw/zinc/82/14/60/518821460.db2.gz YJYLGUXPKMCZIO-QGZVFWFLSA-N 0 3 374.485 1.366 40 0 FDABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)c2cnccn2)n1 ZINC000019698173 518826435 /nfs/dbraw/zinc/82/64/35/518826435.db2.gz GQLQUNOKPAFQEG-IBGZPJMESA-N 0 3 366.469 1.909 40 0 FDABHN Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@H]3CCCN3)n2CC1 ZINC000019706323 518828661 /nfs/dbraw/zinc/82/86/61/518828661.db2.gz 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COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(C)nn3C)C[C@@H]21 ZINC000585109803 551573572 /nfs/dbraw/zinc/57/35/72/551573572.db2.gz VTJFFEYESFPRNZ-CMKODMSKSA-N 0 3 354.454 1.761 40 0 FDABHN Cc1ccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1 ZINC000585290435 551579701 /nfs/dbraw/zinc/57/97/01/551579701.db2.gz BCFUGFHLYOTJFI-IRLDBZIGSA-N 0 3 368.477 1.652 40 0 FDABHN OCCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 ZINC000257276425 570626984 /nfs/dbraw/zinc/62/69/84/570626984.db2.gz NTSCBFOEZUSOCH-ROUUACIJSA-N 0 3 370.440 1.724 40 0 FDABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000306140146 571041730 /nfs/dbraw/zinc/04/17/30/571041730.db2.gz ULSDSZQHHAEPOY-WBVHZDCISA-N 0 3 370.428 1.573 40 0 FDABHN CC[C@H](C)Nc1nc(NCCN2CCN(C)CC2)cc(-c2ccccc2)n1 ZINC000329008142 571107089 /nfs/dbraw/zinc/10/70/89/571107089.db2.gz LQCQETHHABRQSP-KRWDZBQOSA-N 0 3 368.529 1.857 40 0 FDABHN CNC(=O)c1cnn2c1nccc2[C@H]1CCCN(Cc2cccnc2)C1 ZINC000257220888 571151604 /nfs/dbraw/zinc/15/16/04/571151604.db2.gz DMQJYZVQFAOPJA-HNNXBMFYSA-N 0 3 350.426 1.864 40 0 FDABHN CN([C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1ccccc1F ZINC000257254602 571154797 /nfs/dbraw/zinc/15/47/97/571154797.db2.gz KDVSBKZFBFYYNW-BFYDXBDKSA-N 0 3 356.463 1.824 40 0 FDABHN CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCN2CCCCC2)c1 ZINC000257330986 571162664 /nfs/dbraw/zinc/16/26/64/571162664.db2.gz XQWZQJISRIACQS-UHFFFAOYSA-N 0 3 369.469 1.724 40 0 FDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(CN)COC ZINC000252516163 571319746 /nfs/dbraw/zinc/31/97/46/571319746.db2.gz QKADZLWLXDYNMR-MJBXVCDLSA-N 0 3 362.289 1.941 40 0 FDABHN O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253966 834313631 /nfs/dbraw/zinc/31/36/31/834313631.db2.gz MJDMFAWRQALCBS-IMJJTQAJSA-N 0 3 352.442 1.329 40 0 biogenic,in-vitro FDABHN CC(C)(O)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 ZINC000008298345 835750083 /nfs/dbraw/zinc/75/00/83/835750083.db2.gz PWDMLAUPZUYCJM-UAGQMJEPSA-N 0 3 369.469 1.855 40 0 biogenic,in-vitro FDABHN COC(=O)c1cccc(S(=O)(=O)NCCCN2CCC(C)CC2)c1 ZINC000120289582 209351692 /nfs/dbraw/zinc/35/16/92/209351692.db2.gz RAVRRKUTAMJPMT-UHFFFAOYSA-N 0 3 354.472 1.874 40 0 FDABHN Cc1ccnc(OC[C@@H]2Cn3cncc3CN(CC3CCOCC3)C2)n1 ZINC000096220429 209138233 /nfs/dbraw/zinc/13/82/33/209138233.db2.gz YLINTDCPFWWOFK-KRWDZBQOSA-N 0 3 357.458 1.919 40 0 FDABHN COC[C@@H]1CC2(CN1S(C)(=O)=O)CCN(Cc1ccccc1)CC2 ZINC000096220774 209137443 /nfs/dbraw/zinc/13/74/43/209137443.db2.gz ZKRLOERZDCDNPG-KRWDZBQOSA-N 0 3 352.500 1.949 40 0 FDABHN Cc1ccc(CN2CC[C@H]3OCC[C@@]3(CCNS(C)(=O)=O)C2)cc1 ZINC000096207832 209134760 /nfs/dbraw/zinc/13/47/60/209134760.db2.gz LXSHKIRSHIBCKJ-MSOLQXFVSA-N 0 3 352.500 1.915 40 0 FDABHN COC[C@@H]1CC2(CN1C)CCN(S(=O)(=O)c1cccc(F)c1)CC2 ZINC000096207528 209134346 /nfs/dbraw/zinc/13/43/46/209134346.db2.gz PULPSSQCJJCXIX-HNNXBMFYSA-N 0 3 356.463 1.947 40 0 FDABHN COC[C@H]1CC2(CN1C)CCN(S(=O)(=O)c1ccccc1F)CC2 ZINC000096207559 209133985 /nfs/dbraw/zinc/13/39/85/209133985.db2.gz XIWPHPDTKROMFX-CQSZACIVSA-N 0 3 356.463 1.947 40 0 FDABHN O=C(NC1CCCC1)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096068107 209106020 /nfs/dbraw/zinc/10/60/20/209106020.db2.gz PPGZAIDGYWSKOZ-UHFFFAOYSA-N 0 3 359.474 1.697 40 0 FDABHN CN(C)S(=O)(=O)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355140 208837756 /nfs/dbraw/zinc/83/77/56/208837756.db2.gz HGEAQABILSIRGN-INIZCTEOSA-N 0 3 366.531 1.607 40 0 FDABHN COc1ccc(CN2CCC3(C[C@@H](OCC(=O)N(C)C)CO3)CC2)cc1 ZINC000096047830 209099890 /nfs/dbraw/zinc/09/98/90/209099890.db2.gz SLHFVJNSWXRABF-GOSISDBHSA-N 0 3 362.470 1.924 40 0 FDABHN CCN1CCC[C@H]1CNC(=O)Cn1nc(C)n2c3ccsc3cc2c1=O ZINC000012115269 518586966 /nfs/dbraw/zinc/58/69/66/518586966.db2.gz HUUPCVNMYQNEGX-ZDUSSCGKSA-N 0 3 373.482 1.620 40 0 FDABHN Cc1nn(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1C ZINC000019556478 518818319 /nfs/dbraw/zinc/81/83/19/518818319.db2.gz NXAIWQZWERIZFT-QGZVFWFLSA-N 0 3 354.458 1.608 40 0 FDABHN CN(C(=O)c1nonc1N)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586660 518820798 /nfs/dbraw/zinc/82/07/98/518820798.db2.gz DDTSASQGCTWGHE-UHFFFAOYSA-N 0 3 357.414 1.587 40 0 FDABHN C[C@@H](CN1CCCC1)NC(=O)CN1C(=O)COc2c(Cl)cccc21 ZINC000019661112 518824989 /nfs/dbraw/zinc/82/49/89/518824989.db2.gz NBFHHWWFXDAJIW-LBPRGKRZSA-N 0 3 351.834 1.666 40 0 FDABHN CCCC(=O)N1CCC(N2C(=O)NC3(CCN(CC)CC3)C2=O)CC1 ZINC000019699541 518826522 /nfs/dbraw/zinc/82/65/22/518826522.db2.gz PBYZARCCVQFHKT-UHFFFAOYSA-N 0 3 350.463 1.184 40 0 FDABHN COC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)c1 ZINC000045744732 522148615 /nfs/dbraw/zinc/14/86/15/522148615.db2.gz HBNPIVSVLUHLKD-AWEZNQCLSA-N 0 3 354.472 1.874 40 0 FDABHN COc1cccc(OCCc2cc([C@@H]3CCN(C(=O)CN(C)C)C3)n[nH]2)c1 ZINC000072371614 522226551 /nfs/dbraw/zinc/22/65/51/522226551.db2.gz DVIHMNQGDLSDRD-OAHLLOKOSA-N 0 3 372.469 1.917 40 0 FDABHN Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)cc1 ZINC000096296114 525156982 /nfs/dbraw/zinc/15/69/82/525156982.db2.gz 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O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@@H](CN3CC[C@H](O)C3)C2)CC1 ZINC000585103795 551571623 /nfs/dbraw/zinc/57/16/23/551571623.db2.gz JXUKSLJADWYJOE-RBUKOAKNSA-N 0 3 374.481 1.399 40 0 FDABHN CN(C)C/C=C/C(=O)N1CCC[C@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000585292069 551580288 /nfs/dbraw/zinc/58/02/88/551580288.db2.gz JOKDCIDKJXSBNM-FSNWXROXSA-N 0 3 366.469 2.439 40 0 FDABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@H]21 ZINC000306136978 571040241 /nfs/dbraw/zinc/04/02/41/571040241.db2.gz QIBHUKAFPNVKBH-WBVHZDCISA-N 0 3 370.428 1.573 40 0 FDABHN O=C(/C=C/c1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257203844 571149474 /nfs/dbraw/zinc/14/94/74/571149474.db2.gz ARXKISKQTFBKOR-IDOMTICXSA-N 0 3 351.397 1.789 40 0 FDABHN NCC(=O)N1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257216144 571151202 /nfs/dbraw/zinc/15/12/02/571151202.db2.gz CTHSGZVXVKQLJJ-JTQLQIEISA-N 0 3 366.347 1.909 40 0 FDABHN Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N(C)C)nc1 ZINC000257277586 571157241 /nfs/dbraw/zinc/15/72/41/571157241.db2.gz NYOGOGFXFIHLGJ-YRXWBPOGSA-N 0 3 373.428 1.770 40 0 FDABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2cc(C)cn2)C1 ZINC000257282923 571157791 /nfs/dbraw/zinc/15/77/91/571157791.db2.gz OVWVPZDDNCRWSC-LJQANCHMSA-N 0 3 357.458 1.072 40 0 FDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000242463666 571326368 /nfs/dbraw/zinc/32/63/68/571326368.db2.gz DGZCAZJPMKCEAP-CPUCHLNUSA-N 0 3 372.462 1.948 40 0 FDABHN COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 ZINC000008298433 670572788 /nfs/dbraw/zinc/57/27/88/670572788.db2.gz BLOXJHGFPRHTHA-YUTCNCBUSA-N 0 3 362.459 1.230 40 0 biogenic,in-vitro FDABHN CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 ZINC000008298064 291036435 /nfs/dbraw/zinc/03/64/35/291036435.db2.gz JTMZNAAQEJQVFK-OAGGEKHMSA-N 0 3 361.490 1.145 40 0 biogenic,in-vitro FDABHN CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3ccccc3F)CC2)C1 ZINC000108535410 209290386 /nfs/dbraw/zinc/29/03/86/209290386.db2.gz LBEOEEBLDSAKMR-HNNXBMFYSA-N 0 3 356.463 1.889 40 0 FDABHN CC(C)N1CCO[C@@H]2CN(S(=O)(=O)Cc3ccccc3)CC[C@@H]2C1 ZINC000096249578 209144067 /nfs/dbraw/zinc/14/40/67/209144067.db2.gz YZMJHQZZGGTLBI-QZTJIDSGSA-N 0 3 352.500 1.948 40 0 FDABHN CS(=O)(=O)N[C@@H]1COCCC12CCN(CCc1ccccc1)CC2 ZINC000096216612 209135709 /nfs/dbraw/zinc/13/57/09/209135709.db2.gz GDXYRAMREIYKFU-QGZVFWFLSA-N 0 3 352.500 1.649 40 0 FDABHN Cc1nc(CN2CC[C@@]3(CCCN(CC(=O)N(C)C)C3)C2=O)cs1 ZINC000096224363 209139446 /nfs/dbraw/zinc/13/94/46/209139446.db2.gz PGGLLTKPPLHWOR-QGZVFWFLSA-N 0 3 350.488 1.354 40 0 FDABHN COC[C@H]1CC2(CN1C)CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000096207570 209134235 /nfs/dbraw/zinc/13/42/35/209134235.db2.gz MWFZXQNQTYJSFC-OAHLLOKOSA-N 0 3 356.463 1.947 40 0 FDABHN O=C(COC[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2)N1CCCC1 ZINC000096111168 209115087 /nfs/dbraw/zinc/11/50/87/209115087.db2.gz KWRCXZMGPXIIOH-QUCCMNQESA-N 0 3 359.470 1.702 40 0 FDABHN Cc1ccc(=O)n(CC2(O)CCN(Cc3cc(C)c(O)c(C)c3)CC2)n1 ZINC000012187748 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Cc1ccnn1[C@H](C)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019238242 518806460 /nfs/dbraw/zinc/80/64/60/518806460.db2.gz XTPCSRBGJRJQMX-OAHLLOKOSA-N 0 3 368.485 1.937 40 0 FDABHN N[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019370466 518809727 /nfs/dbraw/zinc/80/97/27/518809727.db2.gz RJPBHBGHCZEMNF-UGKGYDQZSA-N 0 3 363.461 1.904 40 0 FDABHN CC(C)c1cc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)[nH]n1 ZINC000019451767 518811713 /nfs/dbraw/zinc/81/17/13/518811713.db2.gz ZDHGXBTVDYJJDT-UHFFFAOYSA-N 0 3 354.458 1.989 40 0 FDABHN CCN1C[C@@H](C(=O)N(Cc2ccccc2OC)C2CCN(C)CC2)CC1=O ZINC000019526849 518814507 /nfs/dbraw/zinc/81/45/07/518814507.db2.gz ZJIVXOFUZIRBQQ-KRWDZBQOSA-N 0 3 373.497 1.986 40 0 FDABHN Cc1nn(CCC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)c1C ZINC000019557123 518819369 /nfs/dbraw/zinc/81/93/69/518819369.db2.gz GIKPCHVDELTTLP-SFHVURJKSA-N 0 3 368.485 1.998 40 0 FDABHN COc1cc(CCC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)on1 ZINC000019590596 518820343 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CN(C)CCNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000010111684 518527797 /nfs/dbraw/zinc/52/77/97/518527797.db2.gz DKEVVTYUHUAKQL-UHFFFAOYSA-N 0 3 361.467 1.807 40 0 FDABHN CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2cnc3ccccc3c2)[C@@H]1O ZINC000012483569 518617185 /nfs/dbraw/zinc/61/71/85/518617185.db2.gz FTLHZUBDEXYDIP-LTFPLMDUSA-N 0 3 357.454 1.519 40 0 biogenic,in-vitro FDABHN C[C@H](C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1)N1CCCCC1 ZINC000019078105 518801905 /nfs/dbraw/zinc/80/19/05/518801905.db2.gz BJSZUBFXLSYPEK-OAHLLOKOSA-N 0 3 357.502 1.703 40 0 FDABHN Cc1ccc2c(cc(C(=O)NCCCN3CCC(C(N)=O)CC3)n2C)c1 ZINC000019661171 518824484 /nfs/dbraw/zinc/82/44/84/518824484.db2.gz JRQAQGQOVZWHDV-UHFFFAOYSA-N 0 3 356.470 1.804 40 0 FDABHN CC(C)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CC3)CC1)C2=O ZINC000019699522 518826695 /nfs/dbraw/zinc/82/66/95/518826695.db2.gz OPWYKCFOHRGQTC-UHFFFAOYSA-N 0 3 362.474 1.182 40 0 FDABHN COc1cccc(C(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)c1 ZINC000019711241 518828254 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Cc1cc(C)n(CCOc2ccc(CN3C[C@H](O)[C@@H](N(C)C)C3)cc2)n1 ZINC000585271189 551576552 /nfs/dbraw/zinc/57/65/52/551576552.db2.gz TUDNOUQIIMZWDU-PMACEKPBSA-N 0 3 358.486 1.686 40 0 FDABHN O=C(Cc1ccccc1)N1CC[C@](O)(CNCc2ccccc2)[C@@H](O)C1 ZINC000585284355 551579125 /nfs/dbraw/zinc/57/91/25/551579125.db2.gz KFVLNBNZGKRATR-FPOVZHCZSA-N 0 3 354.450 1.343 40 0 FDABHN COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3cnccn3)C2)cc1 ZINC000257213441 571150935 /nfs/dbraw/zinc/15/09/35/571150935.db2.gz CHQKKGOUUHCIHT-IBGZPJMESA-N 0 3 356.426 1.194 40 0 FDABHN CCc1nccn1CC(=O)N1CCC[C@@H](c2ccc3c(N)[nH]nc3n2)C1 ZINC000257254358 571154831 /nfs/dbraw/zinc/15/48/31/571154831.db2.gz KCSAOWNPYWUCLY-GFCCVEGCSA-N 0 3 353.430 1.705 40 0 FDABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3cc(OC)nc(OC)n3)C2)c1 ZINC000257262538 571155654 /nfs/dbraw/zinc/15/56/54/571155654.db2.gz LLUWNVDBUFHNIY-LBPRGKRZSA-N 0 3 357.414 1.869 40 0 FDABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccn1 ZINC000257306284 571160083 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ZINC000012113447 207338592 /nfs/dbraw/zinc/33/85/92/207338592.db2.gz KCDXIXXQFFPQRO-KRWDZBQOSA-N 0 3 358.417 1.762 40 0 FDABHN CC(C)(N)C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1 ZINC000012144260 207343025 /nfs/dbraw/zinc/34/30/25/207343025.db2.gz HSUVMOKVYDNMDX-UHFFFAOYSA-N 0 3 357.458 1.271 40 0 FDABHN Cn1cc(C[C@H]2[C@H](N3CCN(C)CC3)CCN2Cc2ccsc2)cn1 ZINC000096061728 209105607 /nfs/dbraw/zinc/10/56/07/209105607.db2.gz UVVGORZYLJFPGJ-MOPGFXCFSA-N 0 3 359.543 1.915 40 0 FDABHN COc1ccc(CNC[C@@H]2OCCc3cn(CC(=O)N(C)C)nc32)cc1 ZINC000096059732 209104295 /nfs/dbraw/zinc/10/42/95/209104295.db2.gz PPBXQCQLHFWOHU-KRWDZBQOSA-N 0 3 358.442 1.384 40 0 FDABHN COc1ccc(CN2CCO[C@@]3(C2)COCCN(CCN(C)C)C3)cc1 ZINC000096049780 209102982 /nfs/dbraw/zinc/10/29/82/209102982.db2.gz UFOFTTRBRLAMID-FQEVSTJZSA-N 0 3 363.502 1.160 40 0 FDABHN CC(=O)N1CC[C@H](c2ncc3c(n2)CCN(C(=O)[C@@H](C)N2CCCC2)C3)C1 ZINC000019079431 518802489 /nfs/dbraw/zinc/80/24/89/518802489.db2.gz FSIZJCAMKKZQAE-ZBFHGGJFSA-N 0 3 371.485 1.181 40 0 FDABHN Cn1ccnc1[C@H](O)c1cccc(F)c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000019291260 518806217 /nfs/dbraw/zinc/80/62/17/518806217.db2.gz HHAPAHFHENEUBZ-DNVCBOLYSA-N 0 3 374.460 1.799 40 0 FDABHN Cc1ncc(CN2CC=CC[C@@]3(C(=O)N4CCN(C)CC4)CCC[C@@H]23)cn1 ZINC000019287197 518806323 /nfs/dbraw/zinc/80/63/23/518806323.db2.gz ONAKAFBFTVDWJV-TZIWHRDSSA-N 0 3 369.513 1.860 40 0 FDABHN O=C(Cn1cnc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019376670 518810855 /nfs/dbraw/zinc/81/08/55/518810855.db2.gz VTMWUCRJISENSO-GOSISDBHSA-N 0 3 362.437 1.836 40 0 FDABHN CCOc1ncccc1C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019531521 518816268 /nfs/dbraw/zinc/81/62/68/518816268.db2.gz YKMSIFWSTPPLFT-INIZCTEOSA-N 0 3 353.426 1.893 40 0 FDABHN COc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CN(C)C)CC2=O)cc1 ZINC000019581882 518818404 /nfs/dbraw/zinc/81/84/04/518818404.db2.gz VZWNWAXXSRBOIA-NVXWUHKLSA-N 0 3 359.470 1.991 40 0 FDABHN CCN(C(=O)c1sc(N2CCOCC2)nc1C)C1CCN(C)CC1 ZINC000019657565 518823202 /nfs/dbraw/zinc/82/32/02/518823202.db2.gz 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/nfs/dbraw/zinc/16/79/95/537167995.db2.gz AHIILMHKXLBTJR-DNVCBOLYSA-N 0 3 363.458 1.940 40 0 FDABHN COc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218072542 537458688 /nfs/dbraw/zinc/45/86/88/537458688.db2.gz ZVTJNXILWRHLIV-VBQJREDUSA-N 0 3 370.471 1.428 40 0 FDABHN COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 ZINC000218108044 537459690 /nfs/dbraw/zinc/45/96/90/537459690.db2.gz MHMRORRQEJMFBI-ROUUACIJSA-N 0 3 360.479 1.847 40 0 FDABHN CC(C)C1OCC(C)(C(=O)Nc2ccc(OCCN(C)C)nc2)CO1 ZINC000225914653 537563527 /nfs/dbraw/zinc/56/35/27/537563527.db2.gz WYHFBVCQELCIFJ-UHFFFAOYSA-N 0 3 351.447 1.996 40 0 FDABHN COc1ncccc1CN1C[C@@H](c2ccnn2C)[C@]2(C1)CCCN(C)C2=O ZINC000306126624 537601247 /nfs/dbraw/zinc/60/12/47/537601247.db2.gz FAMCABTYBKIZAM-OXJNMPFZSA-N 0 3 369.469 1.662 40 0 FDABHN Cn1cncc1CN1CCC[C@]2(CCC(=O)N2CC(=O)N2CCCC2)CC1 ZINC000585100816 551570942 /nfs/dbraw/zinc/57/09/42/551570942.db2.gz XSUUQALVDBERBI-FQEVSTJZSA-N 0 3 373.501 1.390 40 0 FDABHN O=C(CCc1cccnc1)N1CCC2(CO[C@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585103789 551571292 /nfs/dbraw/zinc/57/12/92/551571292.db2.gz JXBPTKGFBDNAQR-MOPGFXCFSA-N 0 3 373.497 1.479 40 0 FDABHN Cc1cc(Nc2nc(C3CCN(C(=O)[C@H](C)N)CC3)cn3cccc23)n[nH]1 ZINC000585263079 551576128 /nfs/dbraw/zinc/57/61/28/551576128.db2.gz JDTKLAZMUPQPIH-ZDUSSCGKSA-N 0 3 367.457 2.163 40 0 FDABHN CC(=O)N1CCC(N2CCOC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585277573 551577877 /nfs/dbraw/zinc/57/78/77/551577877.db2.gz NDFKUNKVPXEWIO-FQEVSTJZSA-N 0 3 362.470 1.448 40 0 FDABHN O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585286667 551579408 /nfs/dbraw/zinc/57/94/08/551579408.db2.gz HLLOCZXDUUZGAR-LPHOPBHVSA-N 0 3 371.424 1.837 40 0 FDABHN Cc1nc(Nc2cnccn2)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 ZINC000585292401 551580363 /nfs/dbraw/zinc/58/03/63/551580363.db2.gz LROJYVASRBULJI-RGDDUWESSA-N 0 3 367.457 1.752 40 0 FDABHN c1nc(CN2CC3(C2)CN(Cc2ccccc2)C[C@@H]2COCCN23)c[nH]1 ZINC000604381911 553870987 /nfs/dbraw/zinc/87/09/87/553870987.db2.gz UZEFIQMWTDHYJS-LJQANCHMSA-N 0 3 353.470 1.181 40 0 biogenic,in-vitro FDABHN c1ncc(CN2CC3(C2)CN(Cc2ccccc2)C[C@@H]2COCCN23)[nH]1 ZINC000604381911 553870990 /nfs/dbraw/zinc/87/09/90/553870990.db2.gz UZEFIQMWTDHYJS-LJQANCHMSA-N 0 3 353.470 1.181 40 0 biogenic,in-vitro FDABHN O[C@@H]1C[C@@H]2CN(CCc3ccccc3)CC3(CN(C4CCCC4)C3)N2C1 ZINC000514290416 560029668 /nfs/dbraw/zinc/02/96/68/560029668.db2.gz YPBZGZAQNMRDEZ-NHCUHLMSSA-N 0 3 355.526 1.977 40 0 biogenic,in-vitro FDABHN CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)Cc2cccs2)[C@H]1O ZINC000514288794 560033908 /nfs/dbraw/zinc/03/39/08/560033908.db2.gz DFJFGZDYIOQUBJ-CMKODMSKSA-N 0 3 374.506 1.710 40 0 biogenic,in-vitro FDABHN CCOCCOc1ccc(CNC[C@]2(O)CCN(c3ncccn3)C2)cc1 ZINC000257214490 570627199 /nfs/dbraw/zinc/62/71/99/570627199.db2.gz CMECCEWOBJXTJD-HXUWFJFHSA-N 0 3 372.469 1.623 40 0 FDABHN Cc1cccc(CN2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)n1 ZINC000306137124 571040094 /nfs/dbraw/zinc/04/00/94/571040094.db2.gz QMBUPEUMJIILII-NVXWUHKLSA-N 0 3 367.453 1.138 40 0 FDABHN C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)CC[C@H]21 ZINC000257201585 571149067 /nfs/dbraw/zinc/14/90/67/571149067.db2.gz AIFREDOEGHMOGV-IIAWOOMASA-N 0 3 354.410 1.448 40 0 FDABHN C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)CC[C@H]21 ZINC000257201585 571149068 /nfs/dbraw/zinc/14/90/68/571149068.db2.gz AIFREDOEGHMOGV-IIAWOOMASA-N 0 3 354.410 1.448 40 0 FDABHN CN1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)CCn1ccnc1)CC[C@H]2O ZINC000257217366 571151301 /nfs/dbraw/zinc/15/13/01/571151301.db2.gz CYQBZBQKMGRYGH-PXCRPINLSA-N 0 3 368.481 1.580 40 0 FDABHN CN1CCC(c2nccnc2CNS(=O)(=O)c2cccs2)CC1 ZINC000257269299 571156248 /nfs/dbraw/zinc/15/62/48/571156248.db2.gz MPJULKFDRGWUQJ-UHFFFAOYSA-N 0 3 352.485 1.826 40 0 FDABHN CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2-n2cc(CN)cn2)C1 ZINC000257270759 571156382 /nfs/dbraw/zinc/15/63/82/571156382.db2.gz MVNZSOROEQLPNC-OAHLLOKOSA-N 0 3 355.442 1.271 40 0 FDABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)Cc2ccncc2)C1 ZINC000257283873 571158161 /nfs/dbraw/zinc/15/81/61/571158161.db2.gz PAGFICMBDCBMEH-FQEVSTJZSA-N 0 3 357.429 1.859 40 0 FDABHN CC(=O)NCc1cn(-c2ccccc2C(=O)N[C@H]2CCCN(C)C2)cn1 ZINC000257299242 571159333 /nfs/dbraw/zinc/15/93/33/571159333.db2.gz RPGDXFJTAQDWCD-HNNXBMFYSA-N 0 3 355.442 1.332 40 0 FDABHN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)C1CCOCC1 ZINC000257317627 571161352 /nfs/dbraw/zinc/16/13/52/571161352.db2.gz VKOKOZUXEUJUNU-ZRNYENFQSA-N 0 3 374.481 1.574 40 0 FDABHN Cn1cc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)cn1 ZINC000306123020 571212730 /nfs/dbraw/zinc/21/27/30/571212730.db2.gz ACJYILNPIUDTNS-UHFFFAOYSA-N 0 3 367.457 1.708 40 0 FDABHN Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccncc2Cl)[C@@H]1O ZINC000952844902 960131766 /nfs/dbraw/zinc/13/17/66/960131766.db2.gz RSYSGMWLNUSNSC-DGXTUMSLSA-N 0 3 350.806 1.055 40 0 biogenic,in-vitro FDABHN CN(C)CC(C)(C)CNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C ZINC000100217124 209210772 /nfs/dbraw/zinc/21/07/72/209210772.db2.gz CNMYVKMJJWSQIQ-AUSJPIAWSA-N 0 3 357.454 1.778 40 0 FDABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 ZINC000306141666 206672573 /nfs/dbraw/zinc/67/25/73/206672573.db2.gz WDHLPGIRJJOCMU-KGLIPLIRSA-N 0 3 357.483 1.926 40 0 FDABHN O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253968 207225919 /nfs/dbraw/zinc/22/59/19/207225919.db2.gz MJDMFAWRQALCBS-BMFZPTHFSA-N 0 3 352.442 1.329 40 0 biogenic,in-vitro FDABHN C[C@@H]1CCCN(CC(=O)N2CCC(n3nnc4ccccc4c3=O)CC2)C1 ZINC000012145873 207343011 /nfs/dbraw/zinc/34/30/11/207343011.db2.gz ABEGYLIAKCTMKJ-OAHLLOKOSA-N 0 3 369.469 1.687 40 0 FDABHN COc1ccccc1C[C@@H](C)NC(=O)C1CN(C(=O)C2CCN(C)CC2)C1 ZINC000019747447 207708792 /nfs/dbraw/zinc/70/87/92/207708792.db2.gz YPKSPGYUXZQVEE-OAHLLOKOSA-N 0 3 373.497 1.543 40 0 FDABHN COc1ccc(CN2Cc3nnn(C)c3[C@H](COCCN(C)C)C2)cc1 ZINC000096060671 209104833 /nfs/dbraw/zinc/10/48/33/209104833.db2.gz GKWAYGYGLAJIHR-INIZCTEOSA-N 0 3 359.474 1.501 40 0 FDABHN Cc1cnc(C(=O)N2CCC[C@@]3(CCC(=O)N3CCN(C)C)CC2)cn1 ZINC000096071926 209107125 /nfs/dbraw/zinc/10/71/25/209107125.db2.gz HRVZNJIOTMZLHC-LJQANCHMSA-N 0 3 359.474 1.334 40 0 FDABHN COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000096057195 209104126 /nfs/dbraw/zinc/10/41/26/209104126.db2.gz FRHDPZMVKPOMLN-NUJGCVRESA-N 0 3 350.434 1.673 40 0 FDABHN Cc1oncc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCCN(C)C)C1 ZINC000096039539 209098167 /nfs/dbraw/zinc/09/81/67/209098167.db2.gz JJFCUUMONJERDM-WMZOPIPTSA-N 0 3 351.447 1.573 40 0 FDABHN COc1cc(N2CCC[C@@]3(C[C@@H](CN4CCN(C)CC4)CO3)C2)ncn1 ZINC000096075641 132218479 /nfs/dbraw/zinc/21/84/79/132218479.db2.gz YRAAQTGBBUVOHP-QFBILLFUSA-N 0 3 361.490 1.108 40 0 FDABHN O=c1[nH]ncc(NCCNC[C@H](O)COc2ccccc2Cl)c1Cl ZINC000001999465 518236146 /nfs/dbraw/zinc/23/61/46/518236146.db2.gz UUWABVCZFXKHSU-JTQLQIEISA-N 0 3 373.240 1.518 40 0 in-man FDABHN C[C@@H](C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1)N1CCCC1=O ZINC000019078479 518802136 /nfs/dbraw/zinc/80/21/36/518802136.db2.gz WGFKMBXDERKSHB-GJZGRUSLSA-N 0 3 371.485 1.181 40 0 FDABHN Cc1ccnn1CCC(=O)N1CCc2nc([C@@H]3CCN(C)C3)ncc2C1 ZINC000019238486 518805903 /nfs/dbraw/zinc/80/59/03/518805903.db2.gz YTVADMOJFANTIJ-OAHLLOKOSA-N 0 3 354.458 1.376 40 0 FDABHN Cc1ccnn1CCC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019238404 518806888 /nfs/dbraw/zinc/80/68/88/518806888.db2.gz RKZWFMQQNVTLIG-OAHLLOKOSA-N 0 3 354.458 1.376 40 0 FDABHN CC(C)NC(=O)[C@H]1CN(C(C)C)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450157 518812473 /nfs/dbraw/zinc/81/24/73/518812473.db2.gz QQCOFVMVHJQNBK-HOTGVXAUSA-N 0 3 361.490 1.262 40 0 FDABHN COCCn1nnnc1[C@@H](c1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000019594050 518819978 /nfs/dbraw/zinc/81/99/78/518819978.db2.gz NJDMGFHLBHKOCN-LJQANCHMSA-N 0 3 370.501 1.969 40 0 FDABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCC3)CC1)C2=O ZINC000019699536 518825893 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NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000252517049 571319774 /nfs/dbraw/zinc/31/97/74/571319774.db2.gz ZDHSECTWLXIEPS-KURKYZTESA-N 0 3 361.419 1.292 40 0 FDABHN CN(C)CCNc1nc(NC(=O)c2ccc(N)cc2)cc(C(F)(F)F)n1 ZINC000329069649 210135949 /nfs/dbraw/zinc/13/59/49/210135949.db2.gz YYSUGYGOAOFHHG-UHFFFAOYSA-N 0 3 368.363 1.147 40 0 FDABHN O=c1c(=O)n(CC2CCC2)nc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000306140143 210056395 /nfs/dbraw/zinc/05/63/95/210056395.db2.gz ULSDSZQHHAEPOY-DOTOQJQBSA-N 0 3 370.428 1.573 40 0 FDABHN Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@H]3C2)n1 ZINC000306133298 210053415 /nfs/dbraw/zinc/05/34/15/210053415.db2.gz MHTWFZCPZPJBGV-LSDHHAIUSA-N 0 3 366.469 1.568 40 0 FDABHN CN(C)C(=O)NC[C@@H]1CO[C@@H]2CN(CCOc3ccc(Cl)cc3)C[C@H]12 ZINC000306129611 210052492 /nfs/dbraw/zinc/05/24/92/210052492.db2.gz IIBYODKAMQZVRQ-KBRIMQKVSA-N 0 3 367.877 1.937 40 0 FDABHN Cn1cc(CN2CC3(C2)C[C@H](COCc2ccccn2)CCN3C)cn1 ZINC000306129377 210051643 /nfs/dbraw/zinc/05/16/43/210051643.db2.gz IBPKRYKGKNNNGL-QGZVFWFLSA-N 0 3 355.486 1.928 40 0 FDABHN COc1cccc(C(=O)N2CCC[C@H](c3nnc4n3CCNCC4)C2)c1 ZINC000019709266 211247286 /nfs/dbraw/zinc/24/72/86/211247286.db2.gz YRAODNXYHTVAGV-HNNXBMFYSA-N 0 3 355.442 1.452 40 0 FDABHN C[C@@H](Cn1cccn1)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019457548 211223743 /nfs/dbraw/zinc/22/37/43/211223743.db2.gz ZOVFVUYECUMXPQ-HNNXBMFYSA-N 0 3 368.485 1.703 40 0 FDABHN CCc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019523570 211228545 /nfs/dbraw/zinc/22/85/45/211228545.db2.gz VCFMLOZEDKKRPH-YOEHRIQHSA-N 0 3 368.485 1.881 40 0 FDABHN COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccccc1C ZINC000022587447 220391849 /nfs/dbraw/zinc/39/18/49/220391849.db2.gz UCCMSBARLBMIQU-KRWDZBQOSA-N 0 3 358.442 1.023 40 0 FDABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NCc2cccnc2)C1 ZINC000096110075 222028014 /nfs/dbraw/zinc/02/80/14/222028014.db2.gz MOZALPPQVCQENG-CRAIPNDOSA-N 0 3 358.467 1.611 40 0 FDABHN CCN1C[C@H](COC)[C@]2(CCN(S(=O)(=O)c3ccccc3C)C2)C1 ZINC000096209877 222079830 /nfs/dbraw/zinc/07/98/30/222079830.db2.gz CRDLSEHSHUHNDV-SJLPKXTDSA-N 0 3 352.500 1.974 40 0 FDABHN CN(C)C(=O)CN1CCC[C@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096215308 222080032 /nfs/dbraw/zinc/08/00/32/222080032.db2.gz YAQXFOXFCGELKO-FQEVSTJZSA-N 0 3 359.470 1.791 40 0 FDABHN COCC(=O)N[C@@H]1COCCC12CCN(Cc1ccccc1F)CC2 ZINC000096217003 222082387 /nfs/dbraw/zinc/08/23/87/222082387.db2.gz WSFAQWHEQCZOJG-QGZVFWFLSA-N 0 3 350.434 1.959 40 0 FDABHN O=C(Nc1cnc(N2CCNCC2)nc1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000333372634 259340646 /nfs/dbraw/zinc/34/06/46/259340646.db2.gz VHQUWPFTHVMORJ-HNNXBMFYSA-N 0 3 356.434 1.368 40 0 FDABHN CN(C)C(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008297540 263353632 /nfs/dbraw/zinc/35/36/32/263353632.db2.gz DUGBEHGBABJYFN-LXZKKBNFSA-N 0 3 355.442 1.449 40 0 biogenic,in-vitro FDABHN CC(=O)N1CCC[C@H]1c1cc(N2CCN(CC(=O)N(C)C)CC2)cc(C)n1 ZINC000019698019 518826720 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Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)NCCN3CCCCC3)C2)s1 ZINC000019745430 526693354 /nfs/dbraw/zinc/69/33/54/526693354.db2.gz FTJLYSAUSWDJNL-OAHLLOKOSA-N 0 3 364.515 1.824 40 0 FDABHN CC(=O)NCc1cnn(-c2ccccc2C(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000257270137 526816256 /nfs/dbraw/zinc/81/62/56/526816256.db2.gz MSXTXVKGDZPKTQ-MRXNPFEDSA-N 0 3 369.469 1.580 40 0 FDABHN O[C@@H]1CCN(Cc2nc(C3(O)CCN(C4CCOCC4)CC3)cs2)C1 ZINC000225465267 537550503 /nfs/dbraw/zinc/55/05/03/537550503.db2.gz BRDAJVJSFAIGNP-OAHLLOKOSA-N 0 3 367.515 1.172 40 0 biogenic,in-vitro FDABHN CN(C)C[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1ccccc1)CC3 ZINC000585110185 551573604 /nfs/dbraw/zinc/57/36/04/551573604.db2.gz UAXZPQPFYOMJIG-MRXNPFEDSA-N 0 3 366.465 1.881 40 0 FDABHN COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)C ZINC000585262418 551575866 /nfs/dbraw/zinc/57/58/66/551575866.db2.gz VUHMUHAMAKLHOV-LMCOJAPRSA-N 0 3 370.449 1.936 40 0 FDABHN CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000585294829 551580623 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CC(=O)N(C)[C@@H]1CO[C@@H]2CCN(Cc3cccs3)C[C@@H]2C[C@@]1(C)O ZINC000257228203 526469870 /nfs/dbraw/zinc/46/98/70/526469870.db2.gz FSUJGYPYWSUDHD-DZOHQFGASA-N 0 3 352.500 1.957 40 0 FDABHN CCN(Cc1ccc(NC(C)=O)cc1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257233041 528786542 /nfs/dbraw/zinc/78/65/42/528786542.db2.gz GNLYIGGMTDTAJB-LJQANCHMSA-N 0 3 370.457 1.815 40 0 FDABHN CS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4ccccc43)C[C@H]12 ZINC000247513542 537128653 /nfs/dbraw/zinc/12/86/53/537128653.db2.gz JEGFAYBHSQXHBJ-BHIYHBOVSA-N 0 3 360.479 1.836 40 0 FDABHN CN(Cc1ccco1)C[C@@H]1CCC2(CN(C(=O)c3ccncn3)C2)OC1 ZINC000248140349 537168848 /nfs/dbraw/zinc/16/88/48/537168848.db2.gz TXZIETDSJOLZEE-HNNXBMFYSA-N 0 3 356.426 1.823 40 0 FDABHN CCOC[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193844 537461572 /nfs/dbraw/zinc/46/15/72/537461572.db2.gz QQORDIVNAUQYLG-RDBSUJKOSA-N 0 3 362.289 1.941 40 0 FDABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218640172 537466130 /nfs/dbraw/zinc/46/61/30/537466130.db2.gz SGWAMMSXIIRHQT-WWGRRREGSA-N 0 3 358.435 1.558 40 0 FDABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](O)C4)C3)CC2)c1 ZINC000585104882 551571711 /nfs/dbraw/zinc/57/17/11/551571711.db2.gz VUMHVHUNBSNWON-IAGOWNOFSA-N 0 3 374.481 1.779 40 0 FDABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](O)C4)C3)CC2)c1 ZINC000585104882 551571714 /nfs/dbraw/zinc/57/17/14/551571714.db2.gz VUMHVHUNBSNWON-IAGOWNOFSA-N 0 3 374.481 1.779 40 0 FDABHN Cc1cc(-c2nccn2C)nc([C@@H]2CCCN2CC2(O)CCOCC2)n1 ZINC000585178847 551575762 /nfs/dbraw/zinc/57/57/62/551575762.db2.gz OZAQYTOYWYXYLF-INIZCTEOSA-N 0 3 357.458 1.864 40 0 FDABHN Cc1cc(-c2nccn2C)nc([C@H]2CCCN2CC2(O)CCOCC2)n1 ZINC000585178848 551576064 /nfs/dbraw/zinc/57/60/64/551576064.db2.gz OZAQYTOYWYXYLF-MRXNPFEDSA-N 0 3 357.458 1.864 40 0 FDABHN COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCO)cc2)c1 ZINC000585262517 551576156 /nfs/dbraw/zinc/57/61/56/551576156.db2.gz IENOTJFWXLCKCK-QGZVFWFLSA-N 0 3 361.438 1.938 40 0 FDABHN CN(C)[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514288415 560034940 /nfs/dbraw/zinc/03/49/40/560034940.db2.gz DIHHCIVNYAWWDA-YESZJQIVSA-N 0 3 373.419 1.517 40 0 biogenic,in-vitro FDABHN Cc1c(CN2CC3(C2)C[C@H](COCc2ccncc2)CN3C)cnn1C ZINC000585093897 571220448 /nfs/dbraw/zinc/22/04/48/571220448.db2.gz NWWQDTZDXSDPSG-SFHVURJKSA-N 0 3 355.486 1.846 40 0 FDABHN CN1CCC(C(=O)N2CCC[C@H](Cc3cncc(-c4ncc[nH]4)n3)C2)CC1 ZINC000257223592 530047666 /nfs/dbraw/zinc/04/76/66/530047666.db2.gz DYASBKWORFRAFD-OAHLLOKOSA-N 0 3 368.485 1.990 40 0 FDABHN Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NC5CCC5)n4C[C@@H]3C2)n1 ZINC000306133295 210053332 /nfs/dbraw/zinc/05/33/32/210053332.db2.gz MHTWFZCPZPJBGV-CABCVRRESA-N 0 3 366.469 1.568 40 0 FDABHN Cc1ccsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 ZINC000306125182 210050118 /nfs/dbraw/zinc/05/01/18/210050118.db2.gz CIJROKDDSALLLA-BZUAXINKSA-N 0 3 358.467 1.723 40 0 FDABHN COCCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000257219005 223025787 /nfs/dbraw/zinc/02/57/87/223025787.db2.gz DFFVINDHTCFWQI-QUCCMNQESA-N 0 3 373.497 1.775 40 0 FDABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)Cc2cccc(F)c2)CC3)C1 ZINC000019709247 211246447 /nfs/dbraw/zinc/24/64/47/211246447.db2.gz DBYZNTJCNVIZRD-MRXNPFEDSA-N 0 3 371.460 1.854 40 0 FDABHN CC(C)N1CCc2c(nc(C3CCN(C(=O)[C@H]4CCCO4)CC3)[nH]c2=O)C1 ZINC000019448460 211222236 /nfs/dbraw/zinc/22/22/36/211222236.db2.gz RLARQZYAMRABTO-QGZVFWFLSA-N 0 3 374.485 1.421 40 0 FDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc2c(cc1Br)OCO2 ZINC000019575870 211236395 /nfs/dbraw/zinc/23/63/95/211236395.db2.gz YBKKKJNFMCMNBT-WCFLWFBJSA-N 0 3 369.259 1.817 40 0 FDABHN CNC(=O)CN[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 ZINC000096241491 132224055 /nfs/dbraw/zinc/22/40/55/132224055.db2.gz XBKAICJESUQJRD-KRWDZBQOSA-N 0 3 351.454 1.795 40 0 FDABHN c1cncc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306142097 132301913 /nfs/dbraw/zinc/30/19/13/132301913.db2.gz WPJDDWWLTACBFR-KRWDZBQOSA-N 0 3 364.453 1.950 40 0 FDABHN CO[C@H]1CCN(S(=O)(=O)c2cccnc2)[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC000096109448 222028485 /nfs/dbraw/zinc/02/84/85/222028485.db2.gz ZYVPNGOWHSKRSE-BBWFWOEESA-N 0 3 351.472 1.201 40 0 FDABHN Cc1ccc(CN2C[C@@H]3C[C@@H](C(=O)N4CCN(C)CC4)N(C)[C@@H]3C2)s1 ZINC000096054220 222003009 /nfs/dbraw/zinc/00/30/09/222003009.db2.gz UJZZPTLHSIJLFB-RYQLBKOJSA-N 0 3 362.543 1.335 40 0 FDABHN CN(C)CCNC(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1 ZINC000096147673 222048262 /nfs/dbraw/zinc/04/82/62/222048262.db2.gz DCVYJRSJFGTMGO-UHFFFAOYSA-N 0 3 356.474 1.713 40 0 FDABHN CN1CCN(C[C@H]2CC[C@]3(COCCN(Cc4ccccc4)C3)O2)CC1 ZINC000096160311 222059422 /nfs/dbraw/zinc/05/94/22/222059422.db2.gz FPIFWDXHACCGHB-RTWAWAEBSA-N 0 3 359.514 1.684 40 0 FDABHN O=C(Cc1ccccn1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC000096183422 222069439 /nfs/dbraw/zinc/06/94/39/222069439.db2.gz NJEYHSIKXQZNAD-RBUKOAKNSA-N 0 3 352.438 1.521 40 0 FDABHN COCCN1CC[C@]2(CN(CC(=O)N(C)C)C[C@H]2c2ccccc2)C1=O ZINC000096201886 222074965 /nfs/dbraw/zinc/07/49/65/222074965.db2.gz OBVLKNBBDLCIAR-FXAWDEMLSA-N 0 3 359.470 1.039 40 0 FDABHN COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1cccc(Cl)c1)C2 ZINC000096206949 222076688 /nfs/dbraw/zinc/07/66/88/222076688.db2.gz XXOTZCDVEBNHDF-QAPCUYQASA-N 0 3 352.862 1.941 40 0 FDABHN CCOC[C@H]1CCC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)N1C ZINC000096209728 222079183 /nfs/dbraw/zinc/07/91/83/222079183.db2.gz VMKYGPRZLRZHKX-CQSZACIVSA-N 0 3 356.492 1.074 40 0 FDABHN CN(Cc1ccco1)C[C@@H]1CC[C@]2(COCCN([C@H]3CCOC3)C2)O1 ZINC000107195027 222392411 /nfs/dbraw/zinc/39/24/11/222392411.db2.gz FOXYSEKAGOZVIK-WDSOQIARSA-N 0 3 350.459 1.750 40 0 FDABHN CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)N2CCOCC2)nn1 ZINC000008298060 518468393 /nfs/dbraw/zinc/46/83/93/518468393.db2.gz JTMZNAAQEJQVFK-XHSDSOJGSA-N 0 3 361.490 1.145 40 0 biogenic,in-vitro FDABHN Cc1nn(C)cc1S(=O)(=O)NCCNc1cc(C)nc2ccccc21 ZINC000012239431 518600102 /nfs/dbraw/zinc/60/01/02/518600102.db2.gz HKLUBQIRMWALSU-UHFFFAOYSA-N 0 3 359.455 1.976 40 0 FDABHN CC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC000019699482 518826645 /nfs/dbraw/zinc/82/66/45/518826645.db2.gz OFIZHQSYEZHDMZ-UHFFFAOYSA-N 0 3 350.463 1.040 40 0 FDABHN Cc1ccsc1CN1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 ZINC000306137463 534472793 /nfs/dbraw/zinc/47/27/93/534472793.db2.gz QXDNBBRDULSXFE-CABCVRRESA-N 0 3 372.494 1.804 40 0 FDABHN Cc1ccccc1OCCC(=O)N1CCn2c(nnc2[C@@H]2CCCN2)C1 ZINC000072373952 522227827 /nfs/dbraw/zinc/22/78/27/522227827.db2.gz IPYZDAPDWLKFGA-HNNXBMFYSA-N 0 3 355.442 1.822 40 0 FDABHN CCN1CCC2(CC1)CN(C(=O)Cn1cncn1)Cc1cc(C)ccc1O2 ZINC000072394161 522231884 /nfs/dbraw/zinc/23/18/84/522231884.db2.gz GZUGEWTUCNXYSF-UHFFFAOYSA-N 0 3 369.469 1.862 40 0 FDABHN Cn1c(=O)c2ccc([C@H]3CCN(Cc4cccnc4)C3)nc2n(C)c1=O ZINC000257229388 534669842 /nfs/dbraw/zinc/66/98/42/534669842.db2.gz FXXMGEUACSKOAL-AWEZNQCLSA-N 0 3 351.410 1.017 40 0 FDABHN CN(CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccccc2)[C@@H]1O ZINC000020463981 522967182 /nfs/dbraw/zinc/96/71/82/522967182.db2.gz ILACXMGCULKVRV-SSSFQFABSA-N 0 3 369.465 1.199 40 0 biogenic,in-vitro FDABHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H]2CCCOC2)CC1 ZINC000171595952 526042933 /nfs/dbraw/zinc/04/29/33/526042933.db2.gz MDHBTYHTLVZSEW-IBGZPJMESA-N 0 3 360.502 1.802 40 0 FDABHN O=C(CO[C@@H]1Cn2cccc2CN(CC2CCOCC2)C1)N1CCCC1 ZINC000247747121 537147689 /nfs/dbraw/zinc/14/76/89/537147689.db2.gz SEPJPFXTFZADHI-IBGZPJMESA-N 0 3 361.486 1.738 40 0 FDABHN Cn1cccc1C(=O)NCC[C@@H]1CCOC12CN(CC1CCOCC1)C2 ZINC000248119879 537166965 /nfs/dbraw/zinc/16/69/65/537166965.db2.gz JSNIALGDSVMPMR-QGZVFWFLSA-N 0 3 361.486 1.663 40 0 FDABHN COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218120629 537459765 /nfs/dbraw/zinc/45/97/65/537459765.db2.gz PHHKHNDRWBZAAR-YESZJQIVSA-N 0 3 366.870 1.945 40 0 FDABHN CC(C)CN1CCC(O)(c2csc(CN3CCN(C)CC3)n2)CC1 ZINC000225471805 537550838 /nfs/dbraw/zinc/55/08/38/537550838.db2.gz OUSBEOJWEZWWAB-UHFFFAOYSA-N 0 3 352.548 1.830 40 0 biogenic,in-vitro FDABHN Cn1ccc(CC(=O)N2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)n1 ZINC000585113560 551574985 /nfs/dbraw/zinc/57/49/85/551574985.db2.gz UHPIFVCACJDHNI-IBGZPJMESA-N 0 3 374.510 1.775 40 0 FDABHN OC1(CN2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CCCC1 ZINC000585281827 551578503 /nfs/dbraw/zinc/57/85/03/551578503.db2.gz BQEXMLZINOPQLY-SFHVURJKSA-N 0 3 357.397 1.712 40 0 FDABHN O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008298452 560208433 /nfs/dbraw/zinc/20/84/33/560208433.db2.gz DZSZSFDLBIDLDC-XCRHUMRWSA-N 0 3 367.453 1.640 40 0 biogenic,in-vitro FDABHN CN1CCN(C[C@]2(O)CCN(Cc3ccc(OCCF)cc3)C2)CC1 ZINC000257236819 570627218 /nfs/dbraw/zinc/62/72/18/570627218.db2.gz HDXGLWAPPWQUEI-LJQANCHMSA-N 0 3 351.466 1.219 40 0 FDABHN CCOCCOc1ccc(CNC[C@@]2(O)CCN(c3ncccn3)C2)cc1 ZINC000257214489 570627260 /nfs/dbraw/zinc/62/72/60/570627260.db2.gz CMECCEWOBJXTJD-FQEVSTJZSA-N 0 3 372.469 1.623 40 0 FDABHN CN(Cc1ccc(OCCF)cc1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000257278128 570627289 /nfs/dbraw/zinc/62/72/89/570627289.db2.gz OAXYMJVSOHUTME-LJQANCHMSA-N 0 3 360.433 1.898 40 0 FDABHN O[C@@H]1[C@@H](n2cncn2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccc(Cl)c(Cl)c1 ZINC000952844656 960127443 /nfs/dbraw/zinc/12/74/43/960127443.db2.gz DXXPUWPPCYKLRJ-ARILJUKYSA-N 0 3 371.224 1.400 40 0 biogenic,in-vitro FDABHN CC(C)CCN1CCO[C@@H](Cn2nnc3c2ncnc3NCC2CC2)C1 ZINC000306144024 210058394 /nfs/dbraw/zinc/05/83/94/210058394.db2.gz YTRRUKHMJNORIN-OAHLLOKOSA-N 0 3 359.478 1.790 40 0 FDABHN O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 ZINC000306140707 210057494 /nfs/dbraw/zinc/05/74/94/210057494.db2.gz VBLUVTGCDMNCOJ-UHFFFAOYSA-N 0 3 366.469 1.794 40 0 FDABHN O=S(=O)(C1CC1)N1CCO[C@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306132361 210053439 /nfs/dbraw/zinc/05/34/39/210053439.db2.gz LGHXIMVLEWVUPW-ZWKOTPCHSA-N 0 3 365.499 1.677 40 0 FDABHN Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)n1 ZINC000306123712 210050020 /nfs/dbraw/zinc/05/00/20/210050020.db2.gz AUMHNDMEBUUMTO-KBPBESRZSA-N 0 3 352.442 1.178 40 0 FDABHN O=C(NCC[C@H]1CCOC12CN(CC1CCOCC1)C2)c1ccncc1 ZINC000247464716 222946817 /nfs/dbraw/zinc/94/68/17/222946817.db2.gz CEXPYRUQYHBPHI-SFHVURJKSA-N 0 3 359.470 1.719 40 0 FDABHN CNC(=O)c1cn(C)nc1CC1CCN(Cc2cccnc2N(C)C)CC1 ZINC000019756614 211255552 /nfs/dbraw/zinc/25/55/52/211255552.db2.gz AXTKNZDFHJDXGP-UHFFFAOYSA-N 0 3 370.501 1.695 40 0 FDABHN CN1CCc2nc([C@@H]3CCN(C(=O)c4cc(C5CC5)on4)C3)ncc2C1 ZINC000019590634 211241086 /nfs/dbraw/zinc/24/10/86/211241086.db2.gz FACFAIXWGZMJQD-CYBMUJFWSA-N 0 3 353.426 1.960 40 0 FDABHN Cc1cc2ncc(C(=O)NCCN3CC[C@H](c4ccccc4)C3)c(N)n2n1 ZINC000019664236 211244798 /nfs/dbraw/zinc/24/47/98/211244798.db2.gz KGAPBXGGHQCJMV-INIZCTEOSA-N 0 3 364.453 1.839 40 0 FDABHN Cn1c2ccc(CN3CCCN(c4ccccn4)CC3)cc2n(C)c1=O ZINC000019657815 211241764 /nfs/dbraw/zinc/24/17/64/211241764.db2.gz RZDITVXOSACMLE-UHFFFAOYSA-N 0 3 351.454 1.984 40 0 FDABHN CCc1nc2cc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)ccc2n1CC ZINC000019523200 211229251 /nfs/dbraw/zinc/22/92/51/211229251.db2.gz CVUISAKNJYMDHH-AWEZNQCLSA-N 0 3 371.485 1.967 40 0 FDABHN CCc1[nH]nc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c1C ZINC000019520924 211225672 /nfs/dbraw/zinc/22/56/72/211225672.db2.gz RFLJXCUKZSAHGS-UHFFFAOYSA-N 0 3 354.458 1.736 40 0 FDABHN O=C(Cn1cnc2ccccc21)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019376674 211221293 /nfs/dbraw/zinc/22/12/93/211221293.db2.gz ZWJMJDNGSWEDMS-KRWDZBQOSA-N 0 3 362.437 1.836 40 0 FDABHN C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H](O)c1ccc([O-])c(C(N)=O)c1 ZINC000001570644 210360295 /nfs/dbraw/zinc/36/02/95/210360295.db2.gz MPQWSYJGFLADEW-YVEFUNNKSA-N 0 3 372.421 1.864 40 0 in-man FDABHN COc1ccc(CN2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)c2ccccc12 ZINC000257312645 533567140 /nfs/dbraw/zinc/56/71/40/533567140.db2.gz UOYQWTLAYWLDTR-WOJBJXKFSA-N 0 3 358.438 1.282 40 0 FDABHN Cn1cc(CN2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)cn1 ZINC000096050768 222002002 /nfs/dbraw/zinc/00/20/02/222002002.db2.gz DINCONBUJKTDOV-LJQANCHMSA-N 0 3 354.410 1.778 40 0 FDABHN 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CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218654162 537465993 /nfs/dbraw/zinc/46/59/93/537465993.db2.gz DGZCAZJPMKCEAP-CKEIUWERSA-N 0 3 372.462 1.948 40 0 FDABHN CC(C)N(C)CC(=O)N1CCc2[nH]nc(-c3cnn(CC4CC4)c3)c2CC1 ZINC000585110314 551573475 /nfs/dbraw/zinc/57/34/75/551573475.db2.gz DQSRCYAFEYXSAC-UHFFFAOYSA-N 0 3 370.501 1.951 40 0 FDABHN O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585282419 551578567 /nfs/dbraw/zinc/57/85/67/551578567.db2.gz JUQWTIVAVRNNAC-HKUYNNGSSA-N 0 3 371.424 1.837 40 0 FDABHN CN(C)C/C=C/C(=O)N1CCC[C@@H](c2csc(=Nc3cnccn3)[nH]2)C1 ZINC000585292644 551580219 /nfs/dbraw/zinc/58/02/19/551580219.db2.gz PZGCQRQWIRHFGF-YVARQFDVSA-N 0 3 372.498 2.501 40 0 FDABHN Cc1cc(Nc2cc([C@H]3CCCN3C(=O)/C=C/CN(C)C)nc(C)n2)n[nH]1 ZINC000585291758 551580303 /nfs/dbraw/zinc/58/03/03/551580303.db2.gz FQUXMTCOKZIEOA-IQIBNGDESA-N 0 3 369.473 2.341 40 0 FDABHN O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4cccnc4)C3)N2C1 ZINC000514290288 560029566 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CN(C)CCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000013670555 220082333 /nfs/dbraw/zinc/08/23/33/220082333.db2.gz XPJFKQPYGIGTRC-UHFFFAOYSA-N 0 3 361.467 1.803 40 0 FDABHN C[C@H](Cn1cccn1)C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019457558 211222937 /nfs/dbraw/zinc/22/29/37/211222937.db2.gz CHRVOVPBWBELHN-CQSZACIVSA-N 0 3 354.458 1.361 40 0 FDABHN CC1(C)C[C@H](CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)C(=O)O1 ZINC000019460907 211222574 /nfs/dbraw/zinc/22/25/74/211222574.db2.gz GCAIMBFJKKPJLA-AWEZNQCLSA-N 0 3 372.469 1.560 40 0 FDABHN COc1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cn1 ZINC000019572149 211234807 /nfs/dbraw/zinc/23/48/07/211234807.db2.gz XQYVZVCHHNVUNB-CEXWTWQISA-N 0 3 354.454 1.347 40 0 FDABHN CCN(CC)CC(=O)N1CCc2nc([C@H]3CCCN3C(C)=O)ncc2C1 ZINC000019526329 211229215 /nfs/dbraw/zinc/22/92/15/211229215.db2.gz YJZJZSDADQGZJP-QGZVFWFLSA-N 0 3 359.474 1.387 40 0 FDABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](C2=NS(=O)(=O)c3ccccc3N2)C1 ZINC000019451124 211220925 /nfs/dbraw/zinc/22/09/25/211220925.db2.gz VKLVDLHAAHWYLK-WFASDCNBSA-N 0 3 364.471 1.421 40 0 FDABHN O=C(COC[C@H]1CCCO1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292277 211213477 /nfs/dbraw/zinc/21/34/77/211213477.db2.gz WSVJXUMIHFKFDE-WBVHZDCISA-N 0 3 360.458 1.372 40 0 FDABHN CNc1cc(Nc2cc(CCC3CCN(C(=O)CN)CC3)ccn2)ncn1 ZINC000257209644 533052325 /nfs/dbraw/zinc/05/23/25/533052325.db2.gz BRHJPLWBYAVKRC-UHFFFAOYSA-N 0 3 369.473 1.787 40 0 FDABHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000071768169 221372753 /nfs/dbraw/zinc/37/27/53/221372753.db2.gz LRDGIIIYMHUOMH-UHFFFAOYSA-N 0 3 351.397 1.911 40 0 FDABHN O=C(c1cscn1)N1CC[C@]2(C[C@@H](OCCN3CCCC3)CO2)C1 ZINC000096107731 222026443 /nfs/dbraw/zinc/02/64/43/222026443.db2.gz AIESTUPAXJJFCZ-PBHICJAKSA-N 0 3 351.472 1.629 40 0 FDABHN COc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)cn1 ZINC000096113416 222031337 /nfs/dbraw/zinc/03/13/37/222031337.db2.gz LIEBYNSSINVHTD-NVXWUHKLSA-N 0 3 374.485 1.476 40 0 biogenic,in-vitro FDABHN Cc1ccc(CN2CC[C@H]3O[C@H](C(=O)NCc4nccn4C)C[C@H]32)s1 ZINC000096055606 222005005 /nfs/dbraw/zinc/00/50/05/222005005.db2.gz MUOSIZIXOOONBH-OAGGEKHMSA-N 0 3 360.483 1.838 40 0 FDABHN Cn1cccc1C(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096059585 222007079 /nfs/dbraw/zinc/00/70/79/222007079.db2.gz GVHXDCMFHJANBV-UHFFFAOYSA-N 0 3 355.442 1.224 40 0 FDABHN O=C(c1csnn1)N1CC[C@]2(c3ccccc3)CN(CCO)C[C@H]2C1 ZINC000096251795 222101753 /nfs/dbraw/zinc/10/17/53/222101753.db2.gz YHHZOOYRORRPJZ-MAUKXSAKSA-N 0 3 358.467 1.246 40 0 FDABHN CC(C)C(=O)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096262532 222105244 /nfs/dbraw/zinc/10/52/44/222105244.db2.gz WYJDHGGWBWFSLN-OAQYLSRUSA-N 0 3 370.497 1.668 40 0 FDABHN Cc1occc1C(=O)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096197568 222074042 /nfs/dbraw/zinc/07/40/42/222074042.db2.gz KDMOUURKXQPUFZ-UHFFFAOYSA-N 0 3 356.426 1.787 40 0 FDABHN CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)CC1 ZINC000100748459 222251979 /nfs/dbraw/zinc/25/19/79/222251979.db2.gz LKRLJWKRLBKTBE-INMHGKMJSA-N 0 3 358.486 1.986 40 0 FDABHN C[C@@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@H](C)C3)CC2)C1 ZINC000004895369 518317235 /nfs/dbraw/zinc/31/72/35/518317235.db2.gz PXZFTQIYTKXVSW-HDICACEKSA-N 0 3 364.534 1.121 40 0 FDABHN COc1ccc(NC[C@@H](O)CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000005702849 518353349 /nfs/dbraw/zinc/35/33/49/518353349.db2.gz UHVCHBZRTZMATO-SOLBZPMBSA-N 0 3 369.465 1.749 40 0 FDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1cccc(Cl)c1 ZINC000010339403 518533415 /nfs/dbraw/zinc/53/34/15/518533415.db2.gz HFZUIAPBMUGGHP-KGLIPLIRSA-N 0 3 365.817 1.378 40 0 FDABHN COc1ccccc1C[N@@H+]1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1 ZINC000019570698 518819012 /nfs/dbraw/zinc/81/90/12/518819012.db2.gz HJMRJJARJGUNMC-UHFFFAOYSA-N 0 3 370.453 1.216 40 0 FDABHN COc1ccccc1C[N@H+]1CCc2nc(N3CCOCC3)[n-]c(=O)c2CC1 ZINC000019570698 518819019 /nfs/dbraw/zinc/81/90/19/518819019.db2.gz HJMRJJARJGUNMC-UHFFFAOYSA-N 0 3 370.453 1.216 40 0 FDABHN CCC(=O)N1CCC(N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)CC1 ZINC000019699526 518826553 /nfs/dbraw/zinc/82/65/53/518826553.db2.gz AEWLSOAYTIKOGY-UHFFFAOYSA-N 0 3 350.463 1.182 40 0 FDABHN COCC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(C)=O)c2)CC1 ZINC000019698102 518826609 /nfs/dbraw/zinc/82/66/09/518826609.db2.gz SZJYBKPUGVEFQC-GOSISDBHSA-N 0 3 360.458 1.368 40 0 FDABHN O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21 ZINC000096043361 525125724 /nfs/dbraw/zinc/12/57/24/525125724.db2.gz PRLFQACWSHYZBI-IXDOHACOSA-N 0 3 353.426 1.737 40 0 FDABHN CC(=O)NCc1cn(-c2ccccc2C(=O)NC[C@H]2CCCCN2C)cn1 ZINC000257278475 526815492 /nfs/dbraw/zinc/81/54/92/526815492.db2.gz OCKMCKJWHZJSSU-QGZVFWFLSA-N 0 3 369.469 1.723 40 0 FDABHN CCN(CC)CC(=O)N1CCO[C@H](c2ccc(Nc3cnccn3)cn2)C1 ZINC000257263529 528086351 /nfs/dbraw/zinc/08/63/51/528086351.db2.gz LQJFDYWXTLBIOD-KRWDZBQOSA-N 0 3 370.457 1.857 40 0 FDABHN O=C(c1cccc2c1OCCO2)N1Cc2cncn2[C@@H](CN2CCCC2)C1 ZINC000247872974 537155030 /nfs/dbraw/zinc/15/50/30/537155030.db2.gz MNXYUPDLHZGGAT-INIZCTEOSA-N 0 3 368.437 1.947 40 0 FDABHN CN(Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3ccncn3)C2)OC1 ZINC000248140350 537168632 /nfs/dbraw/zinc/16/86/32/537168632.db2.gz TXZIETDSJOLZEE-OAHLLOKOSA-N 0 3 356.426 1.823 40 0 FDABHN CSc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)cc1 ZINC000225090652 537541760 /nfs/dbraw/zinc/54/17/60/537541760.db2.gz KQVADMDWGKYZLE-UHFFFAOYSA-N 0 3 371.528 1.239 40 0 FDABHN C[C@H]1Cc2nnc(COc3cccnc3)n2CCN1CC1CCOCC1 ZINC000585097876 551569779 /nfs/dbraw/zinc/56/97/79/551569779.db2.gz ONJOQNSOLKLEJV-HNNXBMFYSA-N 0 3 357.458 1.925 40 0 FDABHN O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585285913 551579108 /nfs/dbraw/zinc/57/91/08/551579108.db2.gz DXZZQNIYSBNULW-HKUYNNGSSA-N 0 3 371.424 1.837 40 0 FDABHN CN(C1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585292047 551580281 /nfs/dbraw/zinc/58/02/81/551580281.db2.gz WJOJAWMWPLXIHM-KURKYZTESA-N 0 3 354.878 1.357 40 0 FDABHN c1ccc(CN2C[C@@H]3COCCN3C3(CN(C4CCOCC4)C3)C2)cc1 ZINC000604381943 553870743 /nfs/dbraw/zinc/87/07/43/553870743.db2.gz WCGPMGDMLIZDIT-HXUWFJFHSA-N 0 3 357.498 1.436 40 0 biogenic,in-vitro FDABHN CN1CCC(C(=O)N2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257201760 530047907 /nfs/dbraw/zinc/04/79/07/530047907.db2.gz AIYBQBCHBPFQED-IEBWSBKVSA-N 0 3 350.434 1.898 40 0 FDABHN Cc1nccn1CC(=O)N1CC[C@H](O)[C@@H](N2CCC(F)(F)CC2)CC1 ZINC000257276275 223046793 /nfs/dbraw/zinc/04/67/93/223046793.db2.gz NTBOOIQDCXHSQB-GJZGRUSLSA-N 0 3 356.417 1.275 40 0 FDABHN O=C(N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCC1)c1ccccc1 ZINC000257316163 223063269 /nfs/dbraw/zinc/06/32/69/223063269.db2.gz VEKKYYJVXQVDMJ-ZRNYENFQSA-N 0 3 367.449 1.857 40 0 FDABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306126552 223107725 /nfs/dbraw/zinc/10/77/25/223107725.db2.gz DYXHZMWUVGCMOR-UONOGXRCSA-N 0 3 355.417 1.614 40 0 FDABHN O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)Nc1ccccc1 ZINC000012603729 220013388 /nfs/dbraw/zinc/01/33/88/220013388.db2.gz NNLDIZFDNXBPLI-KVPLUYHFSA-N 0 3 374.412 1.433 40 0 biogenic,in-vitro FDABHN CC(=O)N1CCc2nc([C@H]3CCN(C(=O)[C@@H](C)N4CCCC4)C3)ncc2C1 ZINC000019077729 220235955 /nfs/dbraw/zinc/23/59/55/220235955.db2.gz PXYVXLWBKSCFCA-ZBFHGGJFSA-N 0 3 371.485 1.181 40 0 FDABHN C[C@H]1CCCN(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)C1 ZINC000019496501 220261939 /nfs/dbraw/zinc/26/19/39/220261939.db2.gz AINHRNUAIXIJHS-HNNXBMFYSA-N 0 3 357.502 1.560 40 0 FDABHN CCNC(=O)[C@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O ZINC000019528335 220267983 /nfs/dbraw/zinc/26/79/83/220267983.db2.gz MGLIVVMZKWNDBP-HNNXBMFYSA-N 0 3 359.470 1.819 40 0 FDABHN CN1CCc2nc([C@H]3CCCN3CC(=O)Nc3nccs3)ncc2C1 ZINC000019590579 220279082 /nfs/dbraw/zinc/27/90/82/220279082.db2.gz SKARFIMDGUJEOI-CQSZACIVSA-N 0 3 358.471 1.697 40 0 FDABHN CN1CCC(c2nnc3n2CCN(C(=O)COc2ccccc2)C3)CC1 ZINC000019711250 220287879 /nfs/dbraw/zinc/28/78/79/220287879.db2.gz PZKBMNYXXCETDK-UHFFFAOYSA-N 0 3 355.442 1.509 40 0 FDABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3c[nH]cn3)CC2)cc1 ZINC000257263937 533542370 /nfs/dbraw/zinc/54/23/70/533542370.db2.gz LSDLPQFUDQVFSA-FQEVSTJZSA-N 0 3 372.469 1.908 40 0 FDABHN COCCNC(=O)[C@@H]1CCC2(CCN(Cc3c(C)noc3C)CC2)O1 ZINC000096109927 222027573 /nfs/dbraw/zinc/02/75/73/222027573.db2.gz LBQMDJLPGOKBFW-INIZCTEOSA-N 0 3 351.447 1.568 40 0 FDABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(C(=O)NCc3cccnc3)C2)n1 ZINC000096110073 222028431 /nfs/dbraw/zinc/02/84/31/222028431.db2.gz PSWODJJFDKDVFB-YLJYHZDGSA-N 0 3 352.438 1.550 40 0 FDABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1nccs1)C2 ZINC000096060860 222008037 /nfs/dbraw/zinc/00/80/37/222008037.db2.gz KUXFAEWNJCGMEF-CYBMUJFWSA-N 0 3 350.492 1.432 40 0 FDABHN CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccc(OC)c3)CC2)O1 ZINC000096144738 222047084 /nfs/dbraw/zinc/04/70/84/222047084.db2.gz XLUOOVJGLVVGET-QGZVFWFLSA-N 0 3 370.453 1.528 40 0 FDABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(CC(=O)N3CC(F)(F)C3)C2)n1 ZINC000096207003 222075753 /nfs/dbraw/zinc/07/57/53/222075753.db2.gz HFUPDYPUVUUIME-PBHICJAKSA-N 0 3 351.397 1.706 40 0 FDABHN Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CCN(Cc4ccccc4)C3)C2)cn1 ZINC000096205916 222075779 /nfs/dbraw/zinc/07/57/79/222075779.db2.gz WEMDHMFVPWZMNM-UYAOXDASSA-N 0 3 354.454 1.974 40 0 FDABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC000096207760 222078259 /nfs/dbraw/zinc/07/82/59/222078259.db2.gz IDWHYQDGSXZTCR-PBHICJAKSA-N 0 3 350.488 1.705 40 0 FDABHN CN(C)C(=O)CN1CCC[C@@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096215311 222079220 /nfs/dbraw/zinc/07/92/20/222079220.db2.gz YAQXFOXFCGELKO-HXUWFJFHSA-N 0 3 359.470 1.791 40 0 FDABHN CC[C@@H](CO)NCc1cc(Br)c(OCC(N)=O)c(OC)c1 ZINC000008326259 263354458 /nfs/dbraw/zinc/35/44/58/263354458.db2.gz GQHIAODOMRDOKC-JTQLQIEISA-N 0 3 361.236 1.182 40 0 FDABHN O=C(CNCCCN1CCOCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000005000525 518324899 /nfs/dbraw/zinc/32/48/99/518324899.db2.gz KTNKDGAVKBIZDJ-UHFFFAOYSA-N 0 3 361.364 1.836 40 0 FDABHN Cc1ccc(C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000010111652 518528086 /nfs/dbraw/zinc/52/80/86/518528086.db2.gz FGTZMTGSXCQNFU-UHFFFAOYSA-N 0 3 353.488 1.461 40 0 FDABHN CN(CC(=O)N1CCCCC1)Cc1cc(N(C)C)nc([C@H]2CCCN2)n1 ZINC000019760127 518836331 /nfs/dbraw/zinc/83/63/31/518836331.db2.gz DWRVAXJFERFWBL-MRXNPFEDSA-N 0 3 360.506 1.411 40 0 FDABHN CC1CCN([C@H]2[C@@H](CNC(=O)Nc3ccsc3)O[C@@H](CO)[C@H]2O)CC1 ZINC000030879789 519399369 /nfs/dbraw/zinc/39/93/69/519399369.db2.gz VTZFFHISFWAPEA-FXUDXRNXSA-N 0 3 369.487 1.091 40 0 biogenic,in-vitro FDABHN O=C(NCCCN1CCOCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030944535 519401687 /nfs/dbraw/zinc/40/16/87/519401687.db2.gz WYCOUTWNJCCALD-GOSISDBHSA-N 0 3 363.477 1.876 40 0 FDABHN CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)Nc1ccccc1)N2C ZINC000035442480 519606543 /nfs/dbraw/zinc/60/65/43/519606543.db2.gz JRGLWEVLRRWABN-SCTDSRPQSA-N 0 3 358.486 1.687 40 0 biogenic,in-vitro FDABHN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN)C3)n2)n1 ZINC000072360883 522226572 /nfs/dbraw/zinc/22/65/72/522226572.db2.gz SJYAUINCSJITPN-CQSZACIVSA-N 0 3 355.446 1.600 40 0 FDABHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1 ZINC000080319250 523869318 /nfs/dbraw/zinc/86/93/18/523869318.db2.gz JRPMIJCHQNZKEC-NSHDSACASA-N 0 3 359.879 1.217 40 0 FDABHN CC(C)C(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257294279 527522282 /nfs/dbraw/zinc/52/22/82/527522282.db2.gz QTJIGBCHAWAMPS-YRXWBPOGSA-N 0 3 361.486 1.979 40 0 FDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@@H]1C2 ZINC000306144774 527730482 /nfs/dbraw/zinc/73/04/82/527730482.db2.gz ZOGCBYBKQNQKTK-LSDHHAIUSA-N 0 3 357.433 1.860 40 0 FDABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2cn(C)nc2C)C1 ZINC000257308637 528860991 /nfs/dbraw/zinc/86/09/91/528860991.db2.gz TXMMVGHPWKINDS-LJQANCHMSA-N 0 3 357.458 1.223 40 0 FDABHN CN(C)S(=O)(=O)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000247937440 537158266 /nfs/dbraw/zinc/15/82/66/537158266.db2.gz HGEAQABILSIRGN-MRXNPFEDSA-N 0 3 366.531 1.607 40 0 FDABHN Cc1noc(CC(=O)N2Cc3ccnn3CC[C@H]2CN2CCCCC2)n1 ZINC000585097277 551569888 /nfs/dbraw/zinc/56/98/88/551569888.db2.gz JODUSXKLXBRWQP-HNNXBMFYSA-N 0 3 358.446 1.404 40 0 FDABHN Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2CC(=O)N2CCCC2)CC1 ZINC000585100817 551570866 /nfs/dbraw/zinc/57/08/66/551570866.db2.gz XSUUQALVDBERBI-HXUWFJFHSA-N 0 3 373.501 1.390 40 0 FDABHN CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000585103969 551571850 /nfs/dbraw/zinc/57/18/50/551571850.db2.gz UXFISXRBXNPHKT-IBGZPJMESA-N 0 3 360.502 1.907 40 0 FDABHN CN(C)C[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1ccccc1)CC3 ZINC000585110184 551573645 /nfs/dbraw/zinc/57/36/45/551573645.db2.gz UAXZPQPFYOMJIG-INIZCTEOSA-N 0 3 366.465 1.881 40 0 FDABHN CN(C)[C@H]1CN(Cc2ccc(OCCCN3CCCC3=O)cc2)C[C@@H]1O ZINC000585270727 551576593 /nfs/dbraw/zinc/57/65/93/551576593.db2.gz POEVSFDVAUMWSO-OALUTQOASA-N 0 3 361.486 1.185 40 0 FDABHN CN(CCc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O ZINC000585283854 551579215 /nfs/dbraw/zinc/57/92/15/551579215.db2.gz IGYMOXJYQZZLJK-RBBKRZOGSA-N 0 3 368.477 1.799 40 0 FDABHN O[C@H]1CCN(CC2(O)CCCC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585287890 551579790 /nfs/dbraw/zinc/57/97/90/551579790.db2.gz UOWOEIDKFOEHQV-WMZOPIPTSA-N 0 3 357.397 1.446 40 0 FDABHN CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)Oc2cc(F)ccc2C(=O)N3C)CC1 ZINC000514288644 560034385 /nfs/dbraw/zinc/03/43/85/560034385.db2.gz LGFWMKDSSSCEGH-AEFFLSMTSA-N 0 3 361.417 1.354 40 0 biogenic,in-vitro FDABHN CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)CC1 ZINC000257262235 571204509 /nfs/dbraw/zinc/20/45/09/571204509.db2.gz LKRLJWKRLBKTBE-ZOBUZTSGSA-N 0 3 358.486 1.986 40 0 FDABHN O[C@@H]1[C@@H](n2cnc3ccccc32)[C@@H]2OC[C@@H](O2)[C@H]1NCc1cccs1 ZINC000952845025 960133006 /nfs/dbraw/zinc/13/30/06/960133006.db2.gz ZCTOJKAZMIDLGP-HSFUPAIVSA-N 0 3 357.435 1.913 40 0 biogenic,in-vitro FDABHN COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 ZINC000218108582 222677901 /nfs/dbraw/zinc/67/79/01/222677901.db2.gz QLIXGLJMKAXNKZ-OTWHNJEPSA-N 0 3 361.463 1.881 40 0 FDABHN 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551579434 /nfs/dbraw/zinc/57/94/34/551579434.db2.gz SWEOKUBQCPBFHA-UNMCSNQZSA-N 0 3 368.477 1.733 40 0 FDABHN CNC(=O)[C@]1(C)CN(CC2(O)CCN(c3ccc(C)cc3)CC2)CCO1 ZINC000585287444 551579448 /nfs/dbraw/zinc/57/94/48/551579448.db2.gz WZNAGEJOZNPBAK-IBGZPJMESA-N 0 3 361.486 1.163 40 0 FDABHN COc1ccc(CNC[C@@]2(O)CN(C(=O)c3ccccc3)CC[C@@H]2O)cc1 ZINC000585285130 551579495 /nfs/dbraw/zinc/57/94/95/551579495.db2.gz OEBWSZWYDRLCDN-PZJWPPBQSA-N 0 3 370.449 1.423 40 0 FDABHN COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)CO)cc1 ZINC000252516176 571319764 /nfs/dbraw/zinc/31/97/64/571319764.db2.gz QLIXGLJMKAXNKZ-GUDVDZBRSA-N 0 3 361.463 1.881 40 0 FDABHN c1c(-c2ccccn2)nnn1[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NCc1ccccc1 ZINC000005396119 291045271 /nfs/dbraw/zinc/04/52/71/291045271.db2.gz CCOKKFONMWJMCX-VNTMZGSJSA-N 0 3 363.421 1.837 40 0 biogenic,in-vitro FDABHN Cc1cc(N)cc([C@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 ZINC000257255807 223040265 /nfs/dbraw/zinc/04/02/65/223040265.db2.gz KIXUQIVQRURRPR-GOSISDBHSA-N 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533047377 /nfs/dbraw/zinc/04/73/77/533047377.db2.gz LLUWNVDBUFHNIY-GFCCVEGCSA-N 0 3 357.414 1.869 40 0 FDABHN CN1CCC(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000019748125 220293213 /nfs/dbraw/zinc/29/32/13/220293213.db2.gz IAJXSOWJSKLDRJ-CYBMUJFWSA-N 0 3 369.462 1.047 40 0 FDABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1ccccn1)C2 ZINC000019711348 220288553 /nfs/dbraw/zinc/28/85/53/220288553.db2.gz OAEDVUHKCNFIBA-UHFFFAOYSA-N 0 3 366.469 1.921 40 0 FDABHN CC1CCN([C@H]2[C@@H](CNC(=O)Nc3ccccc3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020466007 220327998 /nfs/dbraw/zinc/32/79/98/220327998.db2.gz WKEYWLRIIGYFGP-VSZNYVQBSA-N 0 3 363.458 1.029 40 0 biogenic,in-vitro FDABHN CCCNC(=O)Cn1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2 ZINC000049400836 221022313 /nfs/dbraw/zinc/02/23/13/221022313.db2.gz JVVWZEDHFCEWEJ-UHFFFAOYSA-N 0 3 354.454 1.636 40 0 FDABHN COc1ccc(CCC(=O)N2CCn3c(nnc3[C@@H]3CCCN3)C2)cc1 ZINC000072373976 221484481 /nfs/dbraw/zinc/48/44/81/221484481.db2.gz KAYRFWBHNIFIAA-INIZCTEOSA-N 0 3 355.442 1.686 40 0 FDABHN COc1ccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cn1 ZINC000257230758 533313017 /nfs/dbraw/zinc/31/30/17/533313017.db2.gz GDUJEIQOMOLGIS-INIZCTEOSA-N 0 3 355.385 1.398 40 0 FDABHN COc1cccc(CNc2cc(C(F)(F)F)nc(NCCN(C)C)n2)c1 ZINC000329016806 533485457 /nfs/dbraw/zinc/48/54/57/533485457.db2.gz NHPYCLGRZOZOMX-UHFFFAOYSA-N 0 3 369.391 1.933 40 0 FDABHN COc1cccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)c1 ZINC000306131275 533486155 /nfs/dbraw/zinc/48/61/55/533486155.db2.gz JZWUEMBIDPBSDH-SZVBFZGTSA-N 0 3 368.437 1.362 40 0 FDABHN CN(C)C(=O)[C@]12CN(Cc3cccnc3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251142 132224239 /nfs/dbraw/zinc/22/42/39/132224239.db2.gz YMBXFZGFAIUAER-YLJYHZDGSA-N 0 3 366.469 1.431 40 0 FDABHN CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cnn(C)c2)CN(C)C(=O)C1 ZINC000096113434 222031505 /nfs/dbraw/zinc/03/15/05/222031505.db2.gz ZRFHBJIVVWCMCC-IAGOWNOFSA-N 0 3 363.506 1.395 40 0 biogenic,in-vitro FDABHN COc1cccc(CN2CCC3(CC2)O[C@@H](C(N)=O)Cn2ccnc23)c1 ZINC000096144787 222047250 /nfs/dbraw/zinc/04/72/50/222047250.db2.gz UIOMAZIPGMHGQZ-MRXNPFEDSA-N 0 3 356.426 1.267 40 0 FDABHN COC[C@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1ccc(OC)cc1)C2 ZINC000096215982 222082082 /nfs/dbraw/zinc/08/20/82/222082082.db2.gz CBRPVOHDRJWQED-RHSMWYFYSA-N 0 3 354.472 1.284 40 0 FDABHN COc1ccccc1[C@@H]1NC(=NC[C@@H]2CCCO2)Nc2nc(C)cc(=O)n21 ZINC000101983193 222288711 /nfs/dbraw/zinc/28/87/11/222288711.db2.gz WXLNGXIOSRQQMU-SUMWQHHRSA-N 0 3 369.425 1.657 40 0 FDABHN CN1c2ccccc2[C@@]2(N=C(N3CCCc4ccccc43)NC(=N)N2)C1=O ZINC000019339151 263373879 /nfs/dbraw/zinc/37/38/79/263373879.db2.gz LYFBFFDXMCLLEJ-HXUWFJFHSA-N 0 3 360.421 1.543 40 0 FDABHN COc1ccc(CSCC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000022829359 263385946 /nfs/dbraw/zinc/38/59/46/263385946.db2.gz BNUXLYJAKFOIJF-UHFFFAOYSA-N 0 3 351.516 1.682 40 0 FDABHN CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)CC1 ZINC000022926948 263386405 /nfs/dbraw/zinc/38/64/05/263386405.db2.gz AVWCUCMIBAQHSN-SLFFLAALSA-N 0 3 356.514 1.374 40 0 biogenic,in-vitro FDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)CCO2)n1 ZINC000257255808 533885846 /nfs/dbraw/zinc/88/58/46/533885846.db2.gz KIXUQIVQRURRPR-SFHVURJKSA-N 0 3 355.442 1.399 40 0 FDABHN O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@@H](O)CNc2cccc(O)c2)C1 ZINC000003999445 518282534 /nfs/dbraw/zinc/28/25/34/518282534.db2.gz NIESREDNVAQROX-VKJFTORMSA-N 0 3 355.438 1.446 40 0 FDABHN O=C1C2=C(CN1CCN1CCCCC1)NC(=O)N[C@@H]2c1cccc(F)c1 ZINC000012113448 518586553 /nfs/dbraw/zinc/58/65/53/518586553.db2.gz KCDXIXXQFFPQRO-QGZVFWFLSA-N 0 3 358.417 1.762 40 0 FDABHN COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[n-]c(N3CCOCC3)n2)c1 ZINC000012329874 518603642 /nfs/dbraw/zinc/60/36/42/518603642.db2.gz PAIBYHLFORCLRK-JKSUJKDBSA-N 0 3 356.426 1.498 40 0 FDABHN CN1CCC2(CC1)CN(C(=O)c1ccc(=O)n(C)c1)Cc1ccccc1O2 ZINC000012365210 518607317 /nfs/dbraw/zinc/60/73/17/518607317.db2.gz RKDWGLKWQNIFIT-UHFFFAOYSA-N 0 3 367.449 1.885 40 0 FDABHN CN1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccc(F)cc3)CC1)C2=O ZINC000019700008 518825835 /nfs/dbraw/zinc/82/58/35/518825835.db2.gz UHOKRIGKCYNLGZ-UHFFFAOYSA-N 0 3 374.460 1.806 40 0 FDABHN O=C(CCc1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257306323 534474016 /nfs/dbraw/zinc/47/40/16/534474016.db2.gz STURVGILDPSERY-KRWDZBQOSA-N 0 3 353.413 1.709 40 0 FDABHN Cc1cccc(Nc2cc(C[C@H]3CCCN(C(CO)CO)C3)ncn2)n1 ZINC000072384851 522231010 /nfs/dbraw/zinc/23/10/10/522231010.db2.gz LOSZQCRLZWNGNE-OAHLLOKOSA-N 0 3 357.458 1.531 40 0 FDABHN CC1CCN(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)CC1 ZINC000257338148 528229358 /nfs/dbraw/zinc/22/93/58/528229358.db2.gz YWCHMSYULWTZOB-HKUYNNGSSA-N 0 3 373.497 1.890 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@H](C[N@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104582 551571930 /nfs/dbraw/zinc/57/19/30/551571930.db2.gz QOBRIAUDCCMONL-OALUTQOASA-N 0 3 374.481 1.860 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@H](C[N@@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104582 551571932 /nfs/dbraw/zinc/57/19/32/551571932.db2.gz QOBRIAUDCCMONL-OALUTQOASA-N 0 3 374.481 1.860 40 0 FDABHN CNCC(=O)N1CCC(c2cn3cccc3c(Nc3cc(C)[nH]n3)n2)CC1 ZINC000585263225 551576110 /nfs/dbraw/zinc/57/61/10/551576110.db2.gz QHJGJMQKOXJGHN-UHFFFAOYSA-N 0 3 367.457 2.035 40 0 FDABHN O=C(CNC1CCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000902288 219338703 /nfs/dbraw/zinc/33/87/03/219338703.db2.gz JEMZRKYHMNXBLX-UHFFFAOYSA-N 0 3 351.472 1.942 40 0 FDABHN NCc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3ccc4nccn4c3)C2)c1 ZINC000257264866 223042535 /nfs/dbraw/zinc/04/25/35/223042535.db2.gz LWHMDYPEPIUXLV-ZWKOTPCHSA-N 0 3 350.422 1.469 40 0 FDABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306126550 223107096 /nfs/dbraw/zinc/10/70/96/223107096.db2.gz DYXHZMWUVGCMOR-KBPBESRZSA-N 0 3 355.417 1.614 40 0 FDABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 ZINC000306133795 223109783 /nfs/dbraw/zinc/10/97/83/223109783.db2.gz MWNNVGDBWBCEIE-KGLIPLIRSA-N 0 3 355.417 1.614 40 0 FDABHN O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 ZINC000306140415 223113087 /nfs/dbraw/zinc/11/30/87/223113087.db2.gz UTEGGJOWPWBEPN-UHFFFAOYSA-N 0 3 366.469 1.794 40 0 FDABHN Cc1ccn(C[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)n1 ZINC000019237936 220243891 /nfs/dbraw/zinc/24/38/91/220243891.db2.gz OXXWABHQSRGPJS-KSSFIOAISA-N 0 3 368.485 1.969 40 0 FDABHN Cn1cc([C@@H]2CN(S(=O)(=O)c3cccs3)C[C@H]2N)c2ccncc21 ZINC000019290478 220245226 /nfs/dbraw/zinc/24/52/26/220245226.db2.gz HLCIHCLKCIOJNL-UONOGXRCSA-N 0 3 362.480 1.750 40 0 FDABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000019286366 220245972 /nfs/dbraw/zinc/24/59/72/220245972.db2.gz BIVKLBNHRFPQFD-CABCVRRESA-N 0 3 353.422 1.981 40 0 FDABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000019286366 220245976 /nfs/dbraw/zinc/24/59/76/220245976.db2.gz BIVKLBNHRFPQFD-CABCVRRESA-N 0 3 353.422 1.981 40 0 FDABHN CCN1CCN(CCNC(=O)c2cn([C@@H](C)c3ccccc3F)nn2)CC1 ZINC000019528203 220269073 /nfs/dbraw/zinc/26/90/73/220269073.db2.gz UPQDLFOPXBYXMV-HNNXBMFYSA-N 0 3 374.464 1.394 40 0 FDABHN Cc1nc([C@@H]2CCCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)N(C)C ZINC000019753688 220293425 /nfs/dbraw/zinc/29/34/25/220293425.db2.gz CMJRYMZLNWPIHS-KRWDZBQOSA-N 0 3 373.501 1.882 40 0 FDABHN CN1CCC(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000048339171 221009193 /nfs/dbraw/zinc/00/91/93/221009193.db2.gz FIOBPUFCKPGORH-UHFFFAOYSA-N 0 3 365.499 1.270 40 0 FDABHN Cc1cccc(CN2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1 ZINC000096255682 132224517 /nfs/dbraw/zinc/22/45/17/132224517.db2.gz LFXNVBROVGMEDZ-UHFFFAOYSA-N 0 3 352.486 1.533 40 0 FDABHN Cc1ccc(C)c(CN2CC[C@]3(C2)C[C@H](NS(C)(=O)=O)CCO3)c1 ZINC000096107907 222026807 /nfs/dbraw/zinc/02/68/07/222026807.db2.gz VZUDKVFFFOMYFC-QZTJIDSGSA-N 0 3 352.500 1.976 40 0 FDABHN Cc1noc(C)c1CN[C@@H]1CCC[C@@H](C(=O)NC2CC2)CC(=O)N(C)C1 ZINC000096113413 222031595 /nfs/dbraw/zinc/03/15/95/222031595.db2.gz DQPDKXZXMYFXMM-GDBMZVCRSA-N 0 3 362.474 1.677 40 0 biogenic,in-vitro FDABHN O=C([C@@H]1CN(Cc2ccc(F)cc2)CC12CCOCC2)N1CCOCC1 ZINC000096052218 222003314 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Cc1ccc(CN2CCO[C@@]3(C2)COCCN(CCN(C)C)C3)s1 ZINC000096229387 222090657 /nfs/dbraw/zinc/09/06/57/222090657.db2.gz AWYHNNIXIJOMKF-SFHVURJKSA-N 0 3 353.532 1.521 40 0 FDABHN CNC(=O)[C@@]12CCC3(CCN(Cc4ccncc4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000097952832 222218272 /nfs/dbraw/zinc/21/82/72/222218272.db2.gz IEICQGPAQCKPNK-GHTZIAJQSA-N 0 3 370.497 1.668 40 0 FDABHN Cc1ccc(CN2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)o1 ZINC000107063164 222389866 /nfs/dbraw/zinc/38/98/66/222389866.db2.gz PDZWBYZABDVRMN-UHFFFAOYSA-N 0 3 356.426 1.885 40 0 FDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3cccc4c3OCCO4)CCO2)n1 ZINC000257246984 533887213 /nfs/dbraw/zinc/88/72/13/533887213.db2.gz IWVMRNFCSFLRII-KRWDZBQOSA-N 0 3 355.394 1.957 40 0 FDABHN O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@@H](O)COCc2ccccc2)C1 ZINC000002106143 518237242 /nfs/dbraw/zinc/23/72/42/518237242.db2.gz RNQFBQHVXRAHLH-CEXWTWQISA-N 0 3 354.450 1.845 40 0 FDABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)c1cnn2cccnc12 ZINC000012366127 518607350 /nfs/dbraw/zinc/60/73/50/518607350.db2.gz DXDSMZZGCLOWGJ-HNNXBMFYSA-N 0 3 351.410 1.694 40 0 FDABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C(C)C)C1)C2=O ZINC000019699903 518826167 /nfs/dbraw/zinc/82/61/67/518826167.db2.gz ILVCFPSXYGUKPF-AWEZNQCLSA-N 0 3 350.463 1.040 40 0 FDABHN O=C(CNCCN1CCOCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000035311544 519603910 /nfs/dbraw/zinc/60/39/10/519603910.db2.gz DFKQAFJABQHQDA-UHFFFAOYSA-N 0 3 374.485 1.173 40 0 FDABHN O=C(c1ccc(N2CCCC2)cc1)N1CCn2c(nnc2[C@H]2CCCN2)C1 ZINC000072373967 522228527 /nfs/dbraw/zinc/22/85/27/522228527.db2.gz GYQOYWQSPBQEJN-QGZVFWFLSA-N 0 3 366.469 1.959 40 0 FDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1Br ZINC000073742945 522599934 /nfs/dbraw/zinc/59/99/34/522599934.db2.gz LGMQNKKHNYXDII-LLVKDONJSA-N 0 3 354.248 1.988 40 0 FDABHN Cn1c(=O)c2ccc([C@@H]3CCN(Cc4cccnc4)C3)nc2n(C)c1=O ZINC000257229389 534670141 /nfs/dbraw/zinc/67/01/41/534670141.db2.gz FXXMGEUACSKOAL-CQSZACIVSA-N 0 3 351.410 1.017 40 0 FDABHN Nc1nc2c(c(N)n1)C[C@@]1(COCCN(CCCc3ccccc3)C1)O2 ZINC000257256122 534747482 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40 0 FDABHN CN1CCN(Cc2nc(C3(O)CCN(C4CCC4)CC3)cs2)CC1 ZINC000225424883 537546998 /nfs/dbraw/zinc/54/69/98/537546998.db2.gz LUGNENMMTKRBLT-UHFFFAOYSA-N 0 3 350.532 1.726 40 0 biogenic,in-vitro FDABHN Cn1c2ccc(S(=O)(=O)NCCCN3CCCC3)cc2sc1=O ZINC000225677415 537556779 /nfs/dbraw/zinc/55/67/79/537556779.db2.gz OSPPBGBJJPXMNV-UHFFFAOYSA-N 0 3 355.485 1.364 40 0 FDABHN Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCCN2CC(=O)N(C)C)CC1 ZINC000585100506 551571072 /nfs/dbraw/zinc/57/10/72/551571072.db2.gz LNKUZPZYRAYIFD-LJQANCHMSA-N 0 3 362.474 1.840 40 0 FDABHN O=C(Cc1ccc(O)cc1)N1CCC2(CO[C@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585103793 551571427 /nfs/dbraw/zinc/57/14/27/551571427.db2.gz JXUKSLJADWYJOE-MOPGFXCFSA-N 0 3 374.481 1.399 40 0 FDABHN C[C@@H]1CN(Cc2ccco2)C[C@]12COCCN(C(=O)Cc1ccn(C)n1)C2 ZINC000585113535 551574604 /nfs/dbraw/zinc/57/46/04/551574604.db2.gz BSMAULCPBVLIAS-UZLBHIALSA-N 0 3 372.469 1.553 40 0 FDABHN CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585282361 551578525 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Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCN(C)CC4)CC[C@H]32)s1 ZINC000096057506 222005726 /nfs/dbraw/zinc/00/57/26/222005726.db2.gz VWKALYZRMRVOCY-KZNAEPCWSA-N 0 3 363.527 1.952 40 0 FDABHN Cc1noc(C)c1CN1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096059576 222007557 /nfs/dbraw/zinc/00/75/57/222007557.db2.gz YYMCRAJWEHHEIK-UHFFFAOYSA-N 0 3 357.458 1.850 40 0 FDABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2)NCC1CC1 ZINC000096206284 222076454 /nfs/dbraw/zinc/07/64/54/222076454.db2.gz MBMSLBASMJRUQT-UZLBHIALSA-N 0 3 358.438 1.780 40 0 FDABHN CN1CCN(C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2ccncc2)C3)CC1 ZINC000096228464 222089651 /nfs/dbraw/zinc/08/96/51/222089651.db2.gz CFZBLXZUBZATMS-FXAWDEMLSA-N 0 3 358.486 1.340 40 0 FDABHN CN1CCN(c2ncc3c(ccn(CCN4CCCCC4)c3=O)n2)CC1 ZINC000009290424 518501278 /nfs/dbraw/zinc/50/12/78/518501278.db2.gz QVSIUURIACLKAW-UHFFFAOYSA-N 0 3 356.474 1.029 40 0 FDABHN O=C1C2=C(CN1CCN1CCCCC1)NC(=O)N[C@H]2c1ccc(F)cc1 ZINC000012144530 518590288 /nfs/dbraw/zinc/59/02/88/518590288.db2.gz 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350.463 1.223 40 0 FDABHN O=C(c1cccc([C@H]2CCCN(Cc3cnc[nH]3)C2)n1)N1CCOCC1 ZINC000257311534 571160737 /nfs/dbraw/zinc/16/07/37/571160737.db2.gz UJYJRPGQRFCNMV-HNNXBMFYSA-N 0 3 355.442 1.657 40 0 FDABHN Cc1nc(CC(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cs1 ZINC000257335345 571162942 /nfs/dbraw/zinc/16/29/42/571162942.db2.gz YJTUAOSKADTXAX-OAHLLOKOSA-N 0 3 359.442 1.689 40 0 FDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000252514102 571319707 /nfs/dbraw/zinc/31/97/07/571319707.db2.gz BFERPMGBDMFTQG-VBQJREDUSA-N 0 3 372.462 1.948 40 0 FDABHN O=C(CNCCN1CCOCC1)Nc1ccccc1N1CCCCCC1 ZINC000035311421 204238542 /nfs/dbraw/zinc/23/85/42/204238542.db2.gz SJLZJQOVAYNHAJ-UHFFFAOYSA-N 0 3 360.502 1.927 40 0 FDABHN CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253942 204323688 /nfs/dbraw/zinc/32/36/88/204323688.db2.gz NGTAXMJITFFPSP-OAGGEKHMSA-N 0 3 354.458 1.575 40 0 biogenic,in-vitro FDABHN COc1ccc(NC[C@H](O)CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000006740958 206203354 /nfs/dbraw/zinc/20/33/54/206203354.db2.gz UHVCHBZRTZMATO-RYRKJORJSA-N 0 3 369.465 1.749 40 0 FDABHN COc1ccccc1[C@H]1N=C(N2CCN(C)CC2)Nc2nc(C)cc(=O)n21 ZINC000009289604 206247852 /nfs/dbraw/zinc/24/78/52/206247852.db2.gz GUFHHYSXVCKMEA-KRWDZBQOSA-N 0 3 368.441 1.136 40 0 FDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@H]1c1cccc(Cl)c1 ZINC000010339404 206279475 /nfs/dbraw/zinc/27/94/75/206279475.db2.gz HFZUIAPBMUGGHP-KBPBESRZSA-N 0 3 365.817 1.378 40 0 FDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc4c(c3)OCO4)C2(CN)CN)cc1 ZINC000218167779 206368384 /nfs/dbraw/zinc/36/83/84/206368384.db2.gz SKANLEXBWIVOHE-QZTJIDSGSA-N 0 3 374.462 1.567 40 0 FDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)[C@@]2(N)CN)cc1 ZINC000218169004 206369231 /nfs/dbraw/zinc/36/92/31/206369231.db2.gz PTPFNGVQICZZJF-BZSNNMDCSA-N 0 3 360.435 1.320 40 0 FDABHN CC(C)n1c(C(=O)NCCN(C)C)nc2c1CCN(c1ncccn1)C2 ZINC000096264910 132224561 /nfs/dbraw/zinc/22/45/61/132224561.db2.gz OXJHIRHCZRNJIM-UHFFFAOYSA-N 0 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ZINC000257282843 571157780 /nfs/dbraw/zinc/15/77/80/571157780.db2.gz OVNTUJDRMSBLBE-QAPCUYQASA-N 0 3 365.449 1.430 40 0 FDABHN CCn1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)c(C)n1 ZINC000257302576 571159815 /nfs/dbraw/zinc/15/98/15/571159815.db2.gz SDLOLBHQGBHXDB-MRXNPFEDSA-N 0 3 356.417 1.520 40 0 FDABHN Cc1ncncc1C(=O)N1CC[C@](O)(CN(C)Cc2ccc(F)cc2)C1 ZINC000257333915 571162875 /nfs/dbraw/zinc/16/28/75/571162875.db2.gz YDRCSSSIAHEYFU-IBGZPJMESA-N 0 3 358.417 1.633 40 0 FDABHN Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NC3CC3)nn2)c1 ZINC000008254387 291043525 /nfs/dbraw/zinc/04/35/25/291043525.db2.gz NSMFWXYIQSSGPV-VHSSKADRSA-N 0 3 366.469 1.516 40 0 biogenic,in-vitro FDABHN CN(C)CCNc1nc(NCCc2ccccn2)cc(-c2cccnc2)n1 ZINC000329017858 203847093 /nfs/dbraw/zinc/84/70/93/203847093.db2.gz NNGJBBOMECKEKB-UHFFFAOYSA-N 0 3 363.469 1.406 40 0 FDABHN CCCN1C[C@@H](NS(=O)(=O)NCC)C[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000005834183 204226494 /nfs/dbraw/zinc/22/64/94/204226494.db2.gz 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1.689 40 0 biogenic,in-vitro FDABHN COc1cc(COC[C@@H](O)CN2CCSCC2)cc(OC)c1OC ZINC000002692784 206155215 /nfs/dbraw/zinc/15/52/15/206155215.db2.gz BRIRCNDSKQFIDU-AWEZNQCLSA-N 0 3 357.472 1.639 40 0 FDABHN COc1ccccc1[C@@H]1N=C(N2CCN(C)CC2)Nc2nc(C)cc(=O)n21 ZINC000009289608 206247605 /nfs/dbraw/zinc/24/76/05/206247605.db2.gz GUFHHYSXVCKMEA-QGZVFWFLSA-N 0 3 368.441 1.136 40 0 FDABHN CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218611501 206371967 /nfs/dbraw/zinc/37/19/67/206371967.db2.gz NQOYUQOQQJGVHR-VKJFTORMSA-N 0 3 368.499 1.982 40 0 FDABHN NC[C@]1(CO)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218156426 206369048 /nfs/dbraw/zinc/36/90/48/206369048.db2.gz ZDHSECTWLXIEPS-SQNIBIBYSA-N 0 3 361.419 1.292 40 0 FDABHN Cc1ccc([C@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218249463 206369282 /nfs/dbraw/zinc/36/92/82/206369282.db2.gz WKBASTRHGPAGMJ-ZQIUZPCESA-N 0 3 354.472 1.728 40 0 FDABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2cnn(C)c2)COC1 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Cn1c2ccc(S(=O)(=O)NCCCN3CCCCC3)cc2sc1=O ZINC000225676907 537556818 /nfs/dbraw/zinc/55/68/18/537556818.db2.gz DFCDOWOLCLHTPO-UHFFFAOYSA-N 0 3 369.512 1.754 40 0 FDABHN CN(c1cccc(NC(=S)NC2CCN(C)CC2)c1)S(C)(=O)=O ZINC000225799887 537559600 /nfs/dbraw/zinc/55/96/00/537559600.db2.gz XJGHIWDBYUQEAH-UHFFFAOYSA-N 0 3 356.517 1.463 40 0 FDABHN COc1ccccc1CN1CC2(C1)CN(CC(C)C)C[C@H]1C[C@@H](O)CN12 ZINC000514290228 560030391 /nfs/dbraw/zinc/03/03/91/560030391.db2.gz VHHPZIRRVRCNMA-RTBURBONSA-N 0 3 359.514 1.656 40 0 biogenic,in-vitro FDABHN O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(C4CCOCC4)C3)N2C1 ZINC000514289486 560032669 /nfs/dbraw/zinc/03/26/69/560032669.db2.gz MKFXZIZFICAIKJ-VQTJNVASSA-N 0 3 357.498 1.171 40 0 biogenic,in-vitro FDABHN COCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 ZINC000008298219 565092025 /nfs/dbraw/zinc/09/20/25/565092025.db2.gz KDBNKWSGBGYZBR-UHOSZYNNSA-N 0 3 369.469 1.451 40 0 biogenic,in-vitro FDABHN CO[C@H](C)[C@@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000268958301 571143232 /nfs/dbraw/zinc/14/32/32/571143232.db2.gz XBJFEHCEGQOUBG-HUUCEWRRSA-N 0 3 355.504 1.136 40 0 FDABHN COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)c3cnccn3)C2)cc1 ZINC000257213442 571150790 /nfs/dbraw/zinc/15/07/90/571150790.db2.gz CHQKKGOUUHCIHT-LJQANCHMSA-N 0 3 356.426 1.194 40 0 FDABHN Cn1cc(C(=O)N2CC[C@@H](O)[C@H]3[C@H](c4ccccc4)CN(C)[C@@H]3C2)cn1 ZINC000257236645 571153184 /nfs/dbraw/zinc/15/31/84/571153184.db2.gz HDBFTUSUQVHTFO-MANSERQUSA-N 0 3 354.454 1.341 40 0 FDABHN COc1ccc(CN(C)C[C@@]2(O)CCN(S(=O)(=O)C(C)C)C2)cc1 ZINC000257284433 571158075 /nfs/dbraw/zinc/15/80/75/571158075.db2.gz PCRQKRBLBGNHNT-KRWDZBQOSA-N 0 3 356.488 1.302 40 0 FDABHN COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3ccn(C)n3)C2)cc1 ZINC000257323756 571161899 /nfs/dbraw/zinc/16/18/99/571161899.db2.gz WLSCPCREMARASS-IBGZPJMESA-N 0 3 358.442 1.138 40 0 FDABHN C[C@@]1(O)CN(Cc2ccc3[nH]ccc3c2)CC[C@H]1n1ccc(=O)[nH]c1=O ZINC000257328486 571162507 /nfs/dbraw/zinc/16/25/07/571162507.db2.gz XFUZYINRZSXYRN-VQIMIIECSA-N 0 3 354.410 1.628 40 0 FDABHN CC(C)NC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253944 571360100 /nfs/dbraw/zinc/36/01/00/571360100.db2.gz NGTAXMJITFFPSP-XHSDSOJGSA-N 0 3 354.458 1.575 40 0 biogenic,in-vitro FDABHN Nc1cccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NC3CC3)nn2)c1 ZINC000008254390 834306629 /nfs/dbraw/zinc/30/66/29/834306629.db2.gz NSMFWXYIQSSGPV-XWIAVFTESA-N 0 3 366.469 1.516 40 0 biogenic,in-vitro FDABHN COc1cccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc(Cl)cn3)[C@H]2O)c1 ZINC000952844801 960131608 /nfs/dbraw/zinc/13/16/08/960131608.db2.gz KBFNDRRKTKNXCZ-OVYGPGRDSA-N 0 3 365.817 1.361 40 0 biogenic,in-vitro FDABHN Cn1cncc1CN1CCC2(CC1)C[C@@H](NC(=O)c1ccco1)CCO2 ZINC000108527781 209288118 /nfs/dbraw/zinc/28/81/18/209288118.db2.gz XRKKTNWPMICATO-HNNXBMFYSA-N 0 3 358.442 1.957 40 0 FDABHN COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccc(OC)c(F)c3)C[C@H]2C1 ZINC000096245457 209145008 /nfs/dbraw/zinc/14/50/08/209145008.db2.gz BLHUHHPGHTVZCM-GJZGRUSLSA-N 0 3 364.417 1.678 40 0 FDABHN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000096230563 209140983 /nfs/dbraw/zinc/14/09/83/209140983.db2.gz HOJKNIDHRBVSLI-FQEVSTJZSA-N 0 3 367.453 1.260 40 0 FDABHN O=C(COC[C@@]12CCO[C@@H]1CCN(Cc1ccncc1)C2)N1CCCC1 ZINC000096220512 209138333 /nfs/dbraw/zinc/13/83/33/209138333.db2.gz FBCVBIWCYQITNY-QUCCMNQESA-N 0 3 359.470 1.702 40 0 FDABHN COc1ccc(OC)c([C@H](O)CN2CCO[C@H](CN3CCCCC3)C2)c1 ZINC000036734432 208171134 /nfs/dbraw/zinc/17/11/34/208171134.db2.gz VIHIOBGECPYAES-IEBWSBKVSA-N 0 3 364.486 1.924 40 0 FDABHN CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 ZINC000096043266 209099777 /nfs/dbraw/zinc/09/97/77/209099777.db2.gz FDGMSBNGTCJMQS-IPELMVKDSA-N 0 3 359.470 1.698 40 0 FDABHN CNC(=O)[C@]12CN(Cc3ccccn3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251100 132224109 /nfs/dbraw/zinc/22/41/09/132224109.db2.gz XWIBEUCQBAXRQP-VQIMIIECSA-N 0 3 352.442 1.089 40 0 FDABHN NC(=O)Cn1cc(CN2CCC(N3CCOCC3)CC2)c2ccccc21 ZINC000019376105 518810330 /nfs/dbraw/zinc/81/03/30/518810330.db2.gz 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COc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)c(OC)c1 ZINC000022074686 518891574 /nfs/dbraw/zinc/89/15/74/518891574.db2.gz DTWJSAONRDIVOO-UHFFFAOYSA-N 0 3 350.440 1.684 40 0 FDABHN Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)N3CCN4CCC[C@@H]4C3)c12 ZINC000036619102 519623635 /nfs/dbraw/zinc/62/36/35/519623635.db2.gz OTSOYCSKPCEODX-CQSZACIVSA-N 0 3 366.425 1.852 40 0 FDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000073742981 522598758 /nfs/dbraw/zinc/59/87/58/522598758.db2.gz IZZZRQNDCXWYPX-ZDUSSCGKSA-N 0 3 354.248 1.988 40 0 FDABHN CNC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)NCCN1CCCC1 ZINC000096112986 525133855 /nfs/dbraw/zinc/13/38/55/525133855.db2.gz GGDGGGNIZAUJLF-ZWKOTPCHSA-N 0 3 358.486 1.150 40 0 biogenic,in-vitro FDABHN CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)NCCN(C)C ZINC000096113131 525134066 /nfs/dbraw/zinc/13/40/66/525134066.db2.gz VZJWGBGNIPDSAY-JKSUJKDBSA-N 0 3 366.893 1.269 40 0 biogenic,in-vitro FDABHN Cc1ccsc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccnn3C)[C@H]2C1 ZINC000306123592 537601442 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CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2cccc(C)n2)C1 ZINC000257265951 571155978 /nfs/dbraw/zinc/15/59/78/571155978.db2.gz MAZQYHWGWUBWPM-HXUWFJFHSA-N 0 3 354.454 1.884 40 0 FDABHN COc1ncc(CN2CCC(Cc3cnc(CN(C)C)cn3)CC2)cn1 ZINC000257277479 571157256 /nfs/dbraw/zinc/15/72/56/571157256.db2.gz NYDCBNUEGDURPW-UHFFFAOYSA-N 0 3 356.474 1.792 40 0 FDABHN CC(=O)N1[C@H]2CCN(CCOc3ccc(F)cc3)C[C@@H]2C[C@]1(C)CO ZINC000257309734 571160480 /nfs/dbraw/zinc/16/04/80/571160480.db2.gz UCEQWEUDPOMQCF-ZYSHUDEJSA-N 0 3 350.434 1.898 40 0 FDABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccn3)[C@H](N(C)C)[C@H]2O)c1 ZINC000257317883 571161404 /nfs/dbraw/zinc/16/14/04/571161404.db2.gz VLOSESKHEWSGPI-YRXWBPOGSA-N 0 3 371.437 1.331 40 0 FDABHN Cc1c(CN2CC3(C2)C[C@@H](COCc2ccncc2)CN3C)cnn1C ZINC000585093896 571220453 /nfs/dbraw/zinc/22/04/53/571220453.db2.gz NWWQDTZDXSDPSG-GOSISDBHSA-N 0 3 355.486 1.846 40 0 FDABHN COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298025 988732186 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Cn1cc(CN2CCC3(CC2)COCCN(Cc2cccnc2)C3)cn1 ZINC000096239919 209141545 /nfs/dbraw/zinc/14/15/45/209141545.db2.gz LJQHFBKHKDTACJ-UHFFFAOYSA-N 0 3 355.486 1.930 40 0 FDABHN COC[C@H]1CN(C)C[C@@]12CCN(S(=O)(=O)c1cccc(OC)c1)C2 ZINC000096217553 209136590 /nfs/dbraw/zinc/13/65/90/209136590.db2.gz XCUCKWPBJVLZKT-RHSMWYFYSA-N 0 3 354.472 1.284 40 0 FDABHN COCCN1CC2(CCN(Cc3ccc(C)o3)CC2)[C@@H](COC)C1=O ZINC000096209086 209136200 /nfs/dbraw/zinc/13/62/00/209136200.db2.gz XXJRODSHTCHVSZ-KRWDZBQOSA-N 0 3 350.459 1.921 40 0 FDABHN O=C(CO[C@H]1COC2(C1)CCN(Cc1ccccn1)CC2)N1CCCC1 ZINC000096207939 209134945 /nfs/dbraw/zinc/13/49/45/209134945.db2.gz UDVRHAWPGGYNAO-GOSISDBHSA-N 0 3 359.470 1.844 40 0 FDABHN CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2ccc(F)cc2)CC3)CC1 ZINC000096187424 209132271 /nfs/dbraw/zinc/13/22/71/209132271.db2.gz JKRIXLRTUDGPPQ-UHFFFAOYSA-N 0 3 357.433 1.495 40 0 FDABHN C[C@H](Cn1cccn1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019457636 220260760 /nfs/dbraw/zinc/26/07/60/220260760.db2.gz 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518810981 /nfs/dbraw/zinc/81/09/81/518810981.db2.gz IBEMZXNOELVOLN-MRXNPFEDSA-N 0 3 353.426 1.591 40 0 FDABHN CC1(C)C[C@@H](CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)C(=O)O1 ZINC000019460953 518811881 /nfs/dbraw/zinc/81/18/81/518811881.db2.gz APCKHURXNORNPR-DOMZBBRYSA-N 0 3 358.442 1.518 40 0 FDABHN CCN1CCN(CCNC(=O)c2cn([C@H](C)c3ccccc3F)nn2)CC1 ZINC000019528204 518816963 /nfs/dbraw/zinc/81/69/63/518816963.db2.gz UPQDLFOPXBYXMV-OAHLLOKOSA-N 0 3 374.464 1.394 40 0 FDABHN CN1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3cccnc3)ncc2C1 ZINC000019590359 518821105 /nfs/dbraw/zinc/82/11/05/518821105.db2.gz ZCRNRZZRMXEXME-QGZVFWFLSA-N 0 3 373.482 1.775 40 0 FDABHN CN1CCc2nc([C@@H]3CCN(S(=O)(=O)c4ccccc4)C3)ncc2C1 ZINC000019590654 518821141 /nfs/dbraw/zinc/82/11/41/518821141.db2.gz XJGSVLFMKJKGJR-CQSZACIVSA-N 0 3 358.467 1.643 40 0 FDABHN Cc1[nH]c2c(cccc2C)c1CN1CCC(C(N)=O)(N2CCOCC2)CC1 ZINC000019659093 518822258 /nfs/dbraw/zinc/82/22/58/518822258.db2.gz YZUWPQUIWOXWFH-UHFFFAOYSA-N 0 3 370.497 1.937 40 0 FDABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)Cn2cccn2)n1 ZINC000019698318 518825762 /nfs/dbraw/zinc/82/57/62/518825762.db2.gz SPKVBMOXCLQXPI-LJQANCHMSA-N 0 3 368.485 1.702 40 0 FDABHN O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1CCN1CCCCC1 ZINC000020639016 518855258 /nfs/dbraw/zinc/85/52/58/518855258.db2.gz ZFOJBKLNNZDDRC-UHFFFAOYSA-N 0 3 366.347 1.944 40 0 FDABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1cccc(C)c1 ZINC000020801342 521093027 /nfs/dbraw/zinc/09/30/27/521093027.db2.gz ANIUPIGGXJOUQI-DLBZAZTESA-N 0 3 372.469 1.339 40 0 FDABHN COCO[C@@H]1C=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@](C)(O5)[C@H]1O ZINC000253505466 522155523 /nfs/dbraw/zinc/15/55/23/522155523.db2.gz WVIJKZGJRVKCQR-MIVQBHLGSA-N 0 3 373.449 1.634 40 0 biogenic,in-vitro FDABHN CN1CCC(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 ZINC000222564819 536343714 /nfs/dbraw/zinc/34/37/14/536343714.db2.gz SMTZXVFIBSUSEN-UHFFFAOYSA-N 0 3 351.472 1.441 40 0 FDABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCCC[NH+]2CCCC2)c(Cl)c1 ZINC000216368941 537448518 /nfs/dbraw/zinc/44/85/18/537448518.db2.gz PLDQPHCRUXNMHA-UHFFFAOYSA-N 0 3 359.879 1.927 40 0 FDABHN CCCc1ccc(CN2CCC(N(C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)o1 ZINC000585291153 551580322 /nfs/dbraw/zinc/58/03/22/551580322.db2.gz LLIRREABUUQENV-QRVBRYPASA-N 0 3 352.475 1.249 40 0 FDABHN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(Cc3cccnc3)CCN21 ZINC000253406820 560040090 /nfs/dbraw/zinc/04/00/90/560040090.db2.gz VAMGNXYRRATOAV-VXKWHMMOSA-N 0 3 366.509 1.835 40 0 biogenic,in-vitro FDABHN O[C@@]1(CNCc2ccc(OCCF)cc2)CCCN(c2ncccn2)C1 ZINC000257220828 570626841 /nfs/dbraw/zinc/62/68/41/570626841.db2.gz DMIJQAUMCAXBBE-LJQANCHMSA-N 0 3 360.433 1.946 40 0 FDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000408709641 570661494 /nfs/dbraw/zinc/66/14/94/570661494.db2.gz VWJDHPCGYWHDOA-CQSZACIVSA-N 0 3 360.458 1.364 40 0 FDABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccnc3)[C@H](N(C)C)[C@H]2O)c1 ZINC000257270505 571156309 /nfs/dbraw/zinc/15/63/09/571156309.db2.gz MUMWTZTYYMRSGG-YRXWBPOGSA-N 0 3 371.437 1.331 40 0 FDABHN CN1CCN([C@H]2CCN(C(=O)c3ccccc3Cl)CC[C@@H]2O)CC1 ZINC000257278482 571157592 /nfs/dbraw/zinc/15/75/92/571157592.db2.gz OCKZXWWEGAKHEW-IRXDYDNUSA-N 0 3 351.878 1.553 40 0 FDABHN CC(=O)NCc1cnn(-c2ccccc2C(=O)NCCN2CCCC2)c1 ZINC000257331487 571162708 /nfs/dbraw/zinc/16/27/08/571162708.db2.gz XTBGRRZBBHRDOW-UHFFFAOYSA-N 0 3 355.442 1.334 40 0 FDABHN Cc1cccc(CN2C[C@@H]3Cn4c(nnc4C(=O)NC4CCC4)C[C@@H]3C2)n1 ZINC000306133297 571214155 /nfs/dbraw/zinc/21/41/55/571214155.db2.gz MHTWFZCPZPJBGV-HUUCEWRRSA-N 0 3 366.469 1.568 40 0 FDABHN O=C(COc1ccccc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257340464 210002567 /nfs/dbraw/zinc/00/25/67/210002567.db2.gz ZGGBDGGVGVIGAC-QGZVFWFLSA-N 0 3 354.397 1.760 40 0 FDABHN OC1(c2csc(CN3CCOCC3)n2)CCN(C2CCOCC2)CC1 ZINC000225424009 209810966 /nfs/dbraw/zinc/81/09/66/209810966.db2.gz BQHMEEBOHACIDB-UHFFFAOYSA-N 0 3 367.515 1.438 40 0 biogenic,in-vitro FDABHN CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(Cc1cnn(C)c1)CC2 ZINC000096260331 209146469 /nfs/dbraw/zinc/14/64/69/209146469.db2.gz OAKZEIOKFGRQFK-UHFFFAOYSA-N 0 3 370.501 1.620 40 0 FDABHN Cn1cc(CN2CC[C@@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)cn1 ZINC000096158213 209126128 /nfs/dbraw/zinc/12/61/28/209126128.db2.gz KNUZQLPPROIOTR-HXUWFJFHSA-N 0 3 353.470 1.872 40 0 FDABHN Cn1cccc1CN1CCC2(CC1)CN(Cc1ccccn1)C(=O)CO2 ZINC000096159102 209126998 /nfs/dbraw/zinc/12/69/98/209126998.db2.gz IDRZHUNAPXOQEQ-UHFFFAOYSA-N 0 3 354.454 1.814 40 0 FDABHN CC1(C)NC(=O)N(CC(=O)Nc2ccccc2CN2CCCCC2)C1=O ZINC000019460077 220261993 /nfs/dbraw/zinc/26/19/93/220261993.db2.gz LKSMXIAFLQFPTC-UHFFFAOYSA-N 0 3 358.442 1.941 40 0 FDABHN O=C(c1n[nH]c2c1CN(Cc1ccc3c(c1)OCO3)CC2)N1CCCC1 ZINC000096066590 209106186 /nfs/dbraw/zinc/10/61/86/209106186.db2.gz JDYLAJSZVJDKQK-UHFFFAOYSA-N 0 3 354.410 1.933 40 0 FDABHN Cn1cc(C[C@H]2[C@H](N3CCN(C)CC3)CCN2Cc2cccs2)cn1 ZINC000096061726 209104583 /nfs/dbraw/zinc/10/45/83/209104583.db2.gz FKAYGKVASRAQPI-MOPGFXCFSA-N 0 3 359.543 1.915 40 0 FDABHN Cc1ccc([C@@H]2NC(=NC[C@@H]3CCCO3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104138196 263445973 /nfs/dbraw/zinc/44/59/73/263445973.db2.gz CSKUUUAXGAGGTK-DOTOQJQBSA-N 0 3 353.426 1.957 40 0 FDABHN Cc1ccn(CCC(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)n1 ZINC000257252518 534338766 /nfs/dbraw/zinc/33/87/66/534338766.db2.gz JVBBAACKZJPXJA-MRXNPFEDSA-N 0 3 356.417 1.276 40 0 FDABHN CC(C)c1nccn1CC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019454386 518812089 /nfs/dbraw/zinc/81/20/89/518812089.db2.gz RGVAFBIASYYPFW-MRXNPFEDSA-N 0 3 354.458 1.806 40 0 FDABHN CN1CCc2nc(C3CCN(C(=O)COC[C@@H]4CCCO4)CC3)ncc2C1 ZINC000019590675 518821508 /nfs/dbraw/zinc/82/15/08/518821508.db2.gz JKCMPFLBILFJOT-KRWDZBQOSA-N 0 3 374.485 1.366 40 0 FDABHN CC(=O)N[C@]12CN(CCCOc3cccc(C)c3)C[C@H]1CCN(C(C)=O)C2 ZINC000019713734 518829957 /nfs/dbraw/zinc/82/99/57/518829957.db2.gz DGGPCKZLLGGEOZ-CTNGQTDRSA-N 0 3 373.497 1.823 40 0 FDABHN O=S1(=O)CC[C@@H](NCCn2cncc2-c2c[nH]nc2-c2ccccc2)C1 ZINC000019719566 518833058 /nfs/dbraw/zinc/83/30/58/518833058.db2.gz CJTKXIXAOQSAAS-OAHLLOKOSA-N 0 3 371.466 1.717 40 0 FDABHN Cc1nc([C@H]2CCCCN2C(=O)C2CCN(C)CC2)ncc1C(=O)N(C)C ZINC000019753686 518835180 /nfs/dbraw/zinc/83/51/80/518835180.db2.gz CMJRYMZLNWPIHS-QGZVFWFLSA-N 0 3 373.501 1.882 40 0 FDABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(CC)CC2)N[C@@H]1c1cccc(C)c1 ZINC000054112905 523573176 /nfs/dbraw/zinc/57/31/76/523573176.db2.gz ANIUPIGGXJOUQI-IAGOWNOFSA-N 0 3 372.469 1.339 40 0 FDABHN O=C(NC[C@@H]1Cn2nccc2CN(CC2CCOCC2)C1)c1cccnc1 ZINC000247505512 537127036 /nfs/dbraw/zinc/12/70/36/537127036.db2.gz RGRLRRMQLLQONF-KRWDZBQOSA-N 0 3 369.469 1.567 40 0 FDABHN CCS(=O)(=O)CCN1CCC2(CN(C)C[C@@H]2COCC2CC2)CC1 ZINC000248162454 537169413 /nfs/dbraw/zinc/16/94/13/537169413.db2.gz YGPOYSWZHGFUNR-QGZVFWFLSA-N 0 3 358.548 1.492 40 0 FDABHN O=C(CCc1cccnc1)N1CCC2(CO[C@@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585103792 551571224 /nfs/dbraw/zinc/57/12/24/551571224.db2.gz JXBPTKGFBDNAQR-RTBURBONSA-N 0 3 373.497 1.479 40 0 FDABHN CCOc1ccc(CN2C[C@@H](CC(=O)N(C)C)[C@@H](OC)C2)cc1CO ZINC000585278670 551578432 /nfs/dbraw/zinc/57/84/32/551578432.db2.gz QGNXKYFQJVDXSJ-QAPCUYQASA-N 0 3 350.459 1.503 40 0 FDABHN CC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585282656 551578805 /nfs/dbraw/zinc/57/88/05/551578805.db2.gz MFKLXXDMYSKBSB-OALUTQOASA-N 0 3 366.433 1.013 40 0 FDABHN O[C@H]1CCN(C2CCOCC2)C[C@]1(O)COc1ccc(Cl)c(F)c1 ZINC000585287781 551579748 /nfs/dbraw/zinc/57/97/48/551579748.db2.gz RMOQYILDALVLBG-IRXDYDNUSA-N 0 3 359.825 1.835 40 0 FDABHN CN(c1ccc(Cl)c(C(=O)NC2CCN(C)CC2)c1)S(C)(=O)=O ZINC000222507188 568534066 /nfs/dbraw/zinc/53/40/66/568534066.db2.gz RVAOGCPLOWKGFF-UHFFFAOYSA-N 0 3 359.879 1.560 40 0 FDABHN Cc1ccc(CN2C[C@@H]3c4nn(CC5CCC5)c(=O)c(=O)n4C[C@@H]3C2)s1 ZINC000306138422 571041129 /nfs/dbraw/zinc/04/11/29/571041129.db2.gz RXGJIORHKSDLMT-HOCLYGCPSA-N 0 3 372.494 1.804 40 0 FDABHN CC[C@@H](C)Nc1nc(NCCN2CCN(C)CC2)cc(-c2ccccc2)n1 ZINC000329008143 571107080 /nfs/dbraw/zinc/10/70/80/571107080.db2.gz LQCQETHHABRQSP-QGZVFWFLSA-N 0 3 368.529 1.857 40 0 FDABHN COc1ccc(Nc2cc(C3CC3)nc(NCCN(C)C)n2)cc1OC ZINC000329057296 571109160 /nfs/dbraw/zinc/10/91/60/571109160.db2.gz VXGPFRNTFAKYCY-UHFFFAOYSA-N 0 3 357.458 1.932 40 0 FDABHN COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)c3cnn(C)c3)C2)cc1 ZINC000257208666 571150154 /nfs/dbraw/zinc/15/01/54/571150154.db2.gz BNCVHJIMGHSNHK-LJQANCHMSA-N 0 3 358.442 1.138 40 0 FDABHN CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CN(C)C2CCCC2)n1 ZINC000257238907 571153120 /nfs/dbraw/zinc/15/31/20/571153120.db2.gz HNBSFVWJVIZWOF-GOSISDBHSA-N 0 3 359.474 1.651 40 0 FDABHN COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3cccn3C)C2)cc1 ZINC000257278977 571157478 /nfs/dbraw/zinc/15/74/78/571157478.db2.gz OELNCHZSNJXWLE-FQEVSTJZSA-N 0 3 357.454 1.743 40 0 FDABHN CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)ccn1 ZINC000257297822 571159204 /nfs/dbraw/zinc/15/92/04/571159204.db2.gz RIXMQRTVZCLEHQ-MRXNPFEDSA-N 0 3 355.398 1.539 40 0 FDABHN Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)C ZINC000257306954 571160193 /nfs/dbraw/zinc/16/01/93/571160193.db2.gz SWRLRQPRRYEABR-YRXWBPOGSA-N 0 3 373.428 1.770 40 0 FDABHN Cc1ncncc1C(=O)N1CC[C@@](O)(CN(C)Cc2ccc(F)cc2)C1 ZINC000257333916 210002473 /nfs/dbraw/zinc/00/24/73/210002473.db2.gz YDRCSSSIAHEYFU-LJQANCHMSA-N 0 3 358.417 1.633 40 0 FDABHN Cc1cccnc1CN1CC[C@@H](n2cnc3c2ncnc3N)[C@](C)(O)C1 ZINC000257250703 223037626 /nfs/dbraw/zinc/03/76/26/223037626.db2.gz JNQUNBIYXWRMDA-RDTXWAMCSA-N 0 3 353.430 1.310 40 0 FDABHN COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)[C@H](O)C=C4[C@H](C2)N(C)CC[C@]341 ZINC000096316395 209150442 /nfs/dbraw/zinc/15/04/42/209150442.db2.gz LQIKGKFOKAXCRM-OLMFILLTSA-N 0 3 371.433 1.577 40 0 biogenic,in-vitro FDABHN CN(C)CCN1CCOC[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096228839 209140123 /nfs/dbraw/zinc/14/01/23/209140123.db2.gz HXDKRCFJYRBHTL-NRFANRHFSA-N 0 3 359.514 1.732 40 0 FDABHN COc1ncccc1CN1CCC2(C[C@@H](N3CCN(C)CC3)CO2)CC1 ZINC000096220823 209137164 /nfs/dbraw/zinc/13/71/64/209137164.db2.gz VORFBOUICCWWQS-GOSISDBHSA-N 0 3 360.502 1.461 40 0 FDABHN CN1CCN(c2ccc3ccc(C(=O)N4CCCN(C)CC4)cn32)CC1 ZINC000096155891 209126759 /nfs/dbraw/zinc/12/67/59/209126759.db2.gz SVEDVLGVEYWTHD-UHFFFAOYSA-N 0 3 355.486 1.469 40 0 FDABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2cccnc2)C1 ZINC000096108513 209113669 /nfs/dbraw/zinc/11/36/69/209113669.db2.gz DVQNURXSLDXKKJ-QAPCUYQASA-N 0 3 358.467 1.725 40 0 FDABHN COCCn1nnnc1[C@@H](C(C)C)N1CCN(C2CCCCC2)CC1 ZINC000035310838 207128271 /nfs/dbraw/zinc/12/82/71/207128271.db2.gz WBFUXZYLTPEXFM-QGZVFWFLSA-N 0 3 350.511 1.967 40 0 FDABHN COC(=O)[C@@H](NC(=O)[C@H]1CN(C)C[C@@]12CCc1ccccc1C2=O)C(C)C ZINC000019445271 207670050 /nfs/dbraw/zinc/67/00/50/207670050.db2.gz NZOYZBFGZLDSBD-WWMYMODYSA-N 0 3 372.465 1.677 40 0 FDABHN CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096036748 209096064 /nfs/dbraw/zinc/09/60/64/209096064.db2.gz PPSSQQOGSFDIRF-MRXNPFEDSA-N 0 3 358.417 1.658 40 0 FDABHN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)CN3CCCC3)CC2)on1 ZINC000013226285 518654171 /nfs/dbraw/zinc/65/41/71/518654171.db2.gz DJWZOMOEBXEQJQ-UHFFFAOYSA-N 0 3 371.441 1.947 40 0 FDABHN CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc(=O)[n-]c(=O)[nH]2)cc1 ZINC000019314378 518808396 /nfs/dbraw/zinc/80/83/96/518808396.db2.gz UCIRXPXVATXTQY-UHFFFAOYSA-N 0 3 374.397 1.226 40 0 FDABHN O=C(Cn1cnc2ccccc21)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019376675 518810031 /nfs/dbraw/zinc/81/00/31/518810031.db2.gz ZWJMJDNGSWEDMS-QGZVFWFLSA-N 0 3 362.437 1.836 40 0 FDABHN CC(C)N1CCc2c(nc(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)[nH]c2=O)C1 ZINC000019462934 518811446 /nfs/dbraw/zinc/81/14/46/518811446.db2.gz NEMHGDKGTPQETL-XJKSGUPXSA-N 0 3 358.486 1.898 40 0 FDABHN CCOc1ncccc1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019531523 518816726 /nfs/dbraw/zinc/81/67/26/518816726.db2.gz YKMSIFWSTPPLFT-MRXNPFEDSA-N 0 3 353.426 1.893 40 0 FDABHN CCN(C(=O)COc1ccc(-n2nc(C)cc2C)nn1)C1CCN(C)CC1 ZINC000019665526 518825049 /nfs/dbraw/zinc/82/50/49/518825049.db2.gz KHOMTGCNXXDAHN-UHFFFAOYSA-N 0 3 372.473 1.601 40 0 FDABHN CC1CCN(CC(=O)N2CCC[C@H](NC(=O)c3cnccn3)CC2)CC1 ZINC000019749183 518833526 /nfs/dbraw/zinc/83/35/26/518833526.db2.gz ACPKOWGJJJNNAB-INIZCTEOSA-N 0 3 359.474 1.319 40 0 FDABHN COc1cccc(CC(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)c1 ZINC000019752329 518835810 /nfs/dbraw/zinc/83/58/10/518835810.db2.gz HSUSQIURTCBHLV-INIZCTEOSA-N 0 3 369.469 1.681 40 0 FDABHN CN(C)c1cc(C[C@H]2CNCCN(C(=O)CCc3ccccc3)C2)ncn1 ZINC000072355102 522225045 /nfs/dbraw/zinc/22/50/45/522225045.db2.gz TUIKSUNSGIOIFB-SFHVURJKSA-N 0 3 367.497 1.766 40 0 FDABHN Cc1nc(C)c(CNC[C@@]2(COc3cccnc3)C[C@@H](O)[C@@H](O)C2)s1 ZINC000107430332 525888086 /nfs/dbraw/zinc/88/80/86/525888086.db2.gz BUTYYRMNMSJVTN-ALXJQNPVSA-N 0 3 363.483 1.826 40 0 biogenic,in-vitro FDABHN COc1ccc([C@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000218072383 537459726 /nfs/dbraw/zinc/45/97/26/537459726.db2.gz ZVTJNXILWRHLIV-ZQIUZPCESA-N 0 3 370.471 1.428 40 0 FDABHN NCC1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218155985 537461320 /nfs/dbraw/zinc/46/13/20/537461320.db2.gz PLNOAWJXJULBTK-SJORKVTESA-N 0 3 360.435 1.259 40 0 FDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(CN)COC ZINC000218205263 537461769 /nfs/dbraw/zinc/46/17/69/537461769.db2.gz QKADZLWLXDYNMR-HZSPNIEDSA-N 0 3 362.289 1.941 40 0 FDABHN CCS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218654236 537465439 /nfs/dbraw/zinc/46/54/39/537465439.db2.gz DGZCAZJPMKCEAP-JKIFEVAISA-N 0 3 372.462 1.948 40 0 FDABHN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1 ZINC000225087758 537542767 /nfs/dbraw/zinc/54/27/67/537542767.db2.gz CPRRJPACAWDALR-UHFFFAOYSA-N 0 3 365.455 1.104 40 0 FDABHN COc1ncccc1CN1C[C@@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@H]2C1 ZINC000306144902 537603845 /nfs/dbraw/zinc/60/38/45/537603845.db2.gz ZRWVKKRJUSRSBL-LSDHHAIUSA-N 0 3 370.457 1.124 40 0 FDABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@H]1C2 ZINC000306144771 537605139 /nfs/dbraw/zinc/60/51/39/537605139.db2.gz ZOGCBYBKQNQKTK-CABCVRRESA-N 0 3 357.433 1.860 40 0 FDABHN Cc1c(CN2CC3(C2)C[C@@H](COCc2ccccn2)CN3C)cnn1C ZINC000585094001 551568552 /nfs/dbraw/zinc/56/85/52/551568552.db2.gz XRMMCQWVXGTMLW-QGZVFWFLSA-N 0 3 355.486 1.846 40 0 FDABHN CS(=O)(=O)CCN1C[C@]2(CCCN(CC3CC(F)(F)C3)C2)C1=O ZINC000585099318 551570166 /nfs/dbraw/zinc/57/01/66/551570166.db2.gz CUTMYJQXLRSWFB-CQSZACIVSA-N 0 3 350.431 1.001 40 0 FDABHN CN(C)C[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1cccs1)CC3 ZINC000585110161 551573541 /nfs/dbraw/zinc/57/35/41/551573541.db2.gz RACVPAUDAHJWNA-ZDUSSCGKSA-N 0 3 372.494 1.942 40 0 FDABHN Cc1nc(Nc2cnccn2)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 ZINC000585292399 551580249 /nfs/dbraw/zinc/58/02/49/551580249.db2.gz LROJYVASRBULJI-MBVDDHJVSA-N 0 3 367.457 1.752 40 0 FDABHN CC1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3ccc(F)cc3F)[C@H]2O)CC1 ZINC000514289297 560032999 /nfs/dbraw/zinc/03/29/99/560032999.db2.gz PLWYYSWBJJJKGK-YESZJQIVSA-N 0 3 369.412 1.947 40 0 biogenic,in-vitro FDABHN COc1ccc(CN2CCO[C@]3(CN(C)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306135962 571039726 /nfs/dbraw/zinc/03/97/26/571039726.db2.gz PFESAZDELHOKKL-CTNGQTDRSA-N 0 3 367.449 1.917 40 0 FDABHN Cc1cccc(CN2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)n1 ZINC000306137126 571040229 /nfs/dbraw/zinc/04/02/29/571040229.db2.gz QMBUPEUMJIILII-WBVHZDCISA-N 0 3 367.453 1.138 40 0 FDABHN COC(=O)c1ccc2c(c1)CCN(c1cc(C)nc(NCCN(C)C)n1)C2 ZINC000329022637 571130986 /nfs/dbraw/zinc/13/09/86/571130986.db2.gz OODJVKBJCLUFHL-UHFFFAOYSA-N 0 3 369.469 2.108 40 0 FDABHN Cc1cc(Nc2cccc([C@H]3CN(C(=O)[C@@H]4CCCCN4)CCO3)n2)n[nH]1 ZINC000257206519 571149843 /nfs/dbraw/zinc/14/98/43/571149843.db2.gz BDVSWBWCOXXSHL-JKSUJKDBSA-N 0 3 370.457 1.899 40 0 FDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)c1 ZINC000257209222 571150177 /nfs/dbraw/zinc/15/01/77/571150177.db2.gz BPMIFCBCBRTNQM-SFHVURJKSA-N 0 3 357.458 1.925 40 0 FDABHN Cc1[nH]c(=O)[nH]c(=O)c1CN1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257214849 571150848 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biogenic,in-vitro FDABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccn2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382084 553870817 /nfs/dbraw/zinc/87/08/17/553870817.db2.gz CQRURKZFMHIGMW-NCXUSEDFSA-N 0 3 354.454 1.439 40 0 biogenic,in-vitro FDABHN O[C@@]1(CNCc2ccc(OCCF)cc2)CCCN(c2cnccn2)C1 ZINC000257308402 570626902 /nfs/dbraw/zinc/62/69/02/570626902.db2.gz TWPLSZXOMWGCNB-LJQANCHMSA-N 0 3 360.433 1.946 40 0 FDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000408707808 570659166 /nfs/dbraw/zinc/65/91/66/570659166.db2.gz FGFQYVGUFAVHBM-AWEZNQCLSA-N 0 3 358.442 1.118 40 0 FDABHN CO[C@H](C)[C@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000268958304 571143506 /nfs/dbraw/zinc/14/35/06/571143506.db2.gz XBJFEHCEGQOUBG-LSDHHAIUSA-N 0 3 355.504 1.136 40 0 FDABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O ZINC000252514103 571319676 /nfs/dbraw/zinc/31/96/76/571319676.db2.gz BGOVWFCZECJKAB-WOSRLPQWSA-N 0 3 358.435 1.558 40 0 FDABHN COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc(Cl)cn3)[C@H]2O)cc1 ZINC000952844925 960131208 /nfs/dbraw/zinc/13/12/08/960131208.db2.gz UESBUAWDAHLNBJ-OVYGPGRDSA-N 0 3 365.817 1.361 40 0 biogenic,in-vitro FDABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)Cc2cccnc2)C1 ZINC000257232476 529987994 /nfs/dbraw/zinc/98/79/94/529987994.db2.gz GKZVCLHVVHLRTM-HXUWFJFHSA-N 0 3 357.429 1.859 40 0 FDABHN COc1ncccc1CN1C[C@@H]2Cn3c(nnc3C(=O)NC(C)C)C[C@@H]2C1 ZINC000306144901 210060284 /nfs/dbraw/zinc/06/02/84/210060284.db2.gz ZRWVKKRJUSRSBL-HUUCEWRRSA-N 0 3 370.457 1.124 40 0 FDABHN COc1ncccc1CN1C[C@H]2Cc3nnc(C(=O)NC(C)C)n3C[C@@H]2C1 ZINC000306144899 210060143 /nfs/dbraw/zinc/06/01/43/210060143.db2.gz ZRWVKKRJUSRSBL-CABCVRRESA-N 0 3 370.457 1.124 40 0 FDABHN COc1cccc(CN2C[C@H]3OC[C@H](CNC(=O)c4cnccn4)[C@H]3C2)c1 ZINC000306131274 210052156 /nfs/dbraw/zinc/05/21/56/210052156.db2.gz JZWUEMBIDPBSDH-KVSKMBFKSA-N 0 3 368.437 1.362 40 0 FDABHN O=S(=O)(NC[C@H]1CO[C@@H]2CN(CC3CCC3)C[C@H]12)c1ccccc1 ZINC000306128632 210051460 /nfs/dbraw/zinc/05/14/60/210051460.db2.gz HGKZCOHQPQZTKO-CGTJXYLNSA-N 0 3 350.484 1.712 40 0 FDABHN CN(C)CCOc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)cc1 ZINC000257264404 223043229 /nfs/dbraw/zinc/04/32/29/223043229.db2.gz LUEYAOUWCSUOAS-OALUTQOASA-N 0 3 372.469 1.662 40 0 FDABHN Cc1cc(C[C@@H]2COCCN(Cc3cccc(OCCO)c3)C2)ncn1 ZINC000257324573 223065478 /nfs/dbraw/zinc/06/54/78/223065478.db2.gz WPHOWPNBYXIHHT-SFHVURJKSA-N 0 3 357.454 1.847 40 0 FDABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)COC[C@@H]2CCCO2)C3)CC1 ZINC000019588290 211237663 /nfs/dbraw/zinc/23/76/63/211237663.db2.gz YJYLGUXPKMCZIO-KRWDZBQOSA-N 0 3 374.485 1.366 40 0 FDABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)COc1ccccc1)C2 ZINC000019708623 211248049 /nfs/dbraw/zinc/24/80/49/211248049.db2.gz KIXJRRHTDJJCLW-INIZCTEOSA-N 0 3 367.453 1.907 40 0 FDABHN O=C(Nc1ccccc1OCC[NH+]1CCCCCC1)c1cc(=O)[n-]c(=O)[nH]1 ZINC000019661069 211242739 /nfs/dbraw/zinc/24/27/39/211242739.db2.gz CDUHRSSWVHRCCD-UHFFFAOYSA-N 0 3 372.425 1.983 40 0 FDABHN CCn1ncc(C[N@@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)c1C ZINC000019523978 211227391 /nfs/dbraw/zinc/22/73/91/211227391.db2.gz ALQMAJUEMBWZFC-UHFFFAOYSA-N 0 3 364.453 1.958 40 0 FDABHN CCn1ncc(C[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)c1C ZINC000019523978 211227397 /nfs/dbraw/zinc/22/73/97/211227397.db2.gz ALQMAJUEMBWZFC-UHFFFAOYSA-N 0 3 364.453 1.958 40 0 FDABHN C[C@H](CNC(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1)N1CCC(C)CC1 ZINC000019496777 211226893 /nfs/dbraw/zinc/22/68/93/211226893.db2.gz KUPQELLUJTWPLR-CVEARBPZSA-N 0 3 372.473 1.666 40 0 FDABHN Cn1nc(C2CC2)cc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019288826 211211761 /nfs/dbraw/zinc/21/17/61/211211761.db2.gz RYMLBBVSVGEWCS-MRXNPFEDSA-N 0 3 352.442 1.711 40 0 FDABHN Cc1ccn(C[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n1 ZINC000019237932 211210208 /nfs/dbraw/zinc/21/02/08/211210208.db2.gz OXXWABHQSRGPJS-KBXCAEBGSA-N 0 3 368.485 1.969 40 0 FDABHN CN1CCC2(CC1)CN(CC(=O)NC(C)(C)C)C(=O)c1ccccc1O2 ZINC000019083051 211202327 /nfs/dbraw/zinc/20/23/27/211202327.db2.gz KMEMNVLLZXUEOT-UHFFFAOYSA-N 0 3 359.470 1.900 40 0 FDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)N1CCOCC1 ZINC000096057232 222004924 /nfs/dbraw/zinc/00/49/24/222004924.db2.gz YQENBWOCWAFJIV-LMMKCTJWSA-N 0 3 362.445 1.769 40 0 FDABHN COc1ccc(CNC[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)cc1 ZINC000096061018 222007042 /nfs/dbraw/zinc/00/70/42/222007042.db2.gz DXBNMQSRZOIVDQ-INIZCTEOSA-N 0 3 354.414 1.376 40 0 FDABHN O=C(C[C@@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2O1)NCCN1CCCC1 ZINC000096220723 222083475 /nfs/dbraw/zinc/08/34/75/222083475.db2.gz BTOKIRQDPUBCBD-GBESFXJTSA-N 0 3 358.486 1.273 40 0 FDABHN CN1CCN(C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)CC1 ZINC000096228463 222089694 /nfs/dbraw/zinc/08/96/94/222089694.db2.gz BLKRFBJFMNTCBA-XLIONFOSSA-N 0 3 358.486 1.340 40 0 FDABHN Cc1ccc(CN2CCO[C@]3(C2)COCCN(CCN(C)C)C3)s1 ZINC000096229386 222091604 /nfs/dbraw/zinc/09/16/04/222091604.db2.gz AWYHNNIXIJOMKF-GOSISDBHSA-N 0 3 353.532 1.521 40 0 FDABHN COc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019555665 518816910 /nfs/dbraw/zinc/81/69/10/518816910.db2.gz OWNRUUMOHZRUON-UHFFFAOYSA-N 0 3 370.453 1.628 40 0 FDABHN COc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cc1 ZINC000019555665 518816914 /nfs/dbraw/zinc/81/69/14/518816914.db2.gz OWNRUUMOHZRUON-UHFFFAOYSA-N 0 3 370.453 1.628 40 0 FDABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H](N)Cc1ccccc1 ZINC000072394722 522230463 /nfs/dbraw/zinc/23/04/63/522230463.db2.gz ZKDGKJDMLMKKAY-MOPGFXCFSA-N 0 3 353.466 1.908 40 0 FDABHN CN1CC[C@@H](c2nn(CCNC(=O)Cc3ccccc3)c3nccnc23)C1 ZINC000072391629 522232091 /nfs/dbraw/zinc/23/20/91/522232091.db2.gz YXKCHTSGWLZSGK-MRXNPFEDSA-N 0 3 364.453 1.604 40 0 FDABHN CN1CCN(CCCNC(=O)c2ccc(CN3CCCC3=O)cc2)CC1 ZINC000020105275 523900196 /nfs/dbraw/zinc/90/01/96/523900196.db2.gz HHRPEWZJWTXJGP-UHFFFAOYSA-N 0 3 358.486 1.176 40 0 FDABHN CC(=O)NCc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCCN2C)cn1 ZINC000257278474 526815874 /nfs/dbraw/zinc/81/58/74/526815874.db2.gz OCKMCKJWHZJSSU-KRWDZBQOSA-N 0 3 369.469 1.723 40 0 FDABHN O=C(c1cccc2c1OCCO2)N1Cc2ccnn2[C@H](CN2CCCC2)C1 ZINC000247967924 537160193 /nfs/dbraw/zinc/16/01/93/537160193.db2.gz ZXHHZFANOKUYRQ-MRXNPFEDSA-N 0 3 368.437 1.947 40 0 FDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc4c(c3)OCO4)C2(CN)CN)cc1 ZINC000218168002 537461629 /nfs/dbraw/zinc/46/16/29/537461629.db2.gz SKANLEXBWIVOHE-ROUUACIJSA-N 0 3 374.462 1.567 40 0 FDABHN COc1ncccc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCCC1 ZINC000585097390 551569750 /nfs/dbraw/zinc/56/97/50/551569750.db2.gz KQSSUVNZGYLEQU-HNNXBMFYSA-N 0 3 355.442 1.797 40 0 FDABHN COc1ccccc1OCC(=O)N1Cc2ccnn2CC[C@H]1CN(C)C ZINC000585098594 551570225 /nfs/dbraw/zinc/57/02/25/551570225.db2.gz ZPFMYBGZQLNMLL-HNNXBMFYSA-N 0 3 358.442 1.633 40 0 FDABHN COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCO)cc2)cc1 ZINC000585262587 551576075 /nfs/dbraw/zinc/57/60/75/551576075.db2.gz XOZBFIYLRNJINB-KRWDZBQOSA-N 0 3 361.438 1.938 40 0 FDABHN Cc1cc(OC[C@@]2(O)COCCN(CC3(O)CCCC3)C2)ccc1F ZINC000585283148 551578798 /nfs/dbraw/zinc/57/87/98/551578798.db2.gz QIYVOGGZSLFRCY-IBGZPJMESA-N 0 3 353.434 1.881 40 0 FDABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccnc2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382700 553870852 /nfs/dbraw/zinc/87/08/52/553870852.db2.gz ZBVSSVAZEHTMSL-NCXUSEDFSA-N 0 3 354.454 1.439 40 0 biogenic,in-vitro FDABHN COc1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)N(C)C)nn2)cc1 ZINC000008297569 570679422 /nfs/dbraw/zinc/67/94/22/570679422.db2.gz BTXBVZGJIVWUEX-NUJGCVRESA-N 0 3 369.469 1.752 40 0 biogenic,in-vitro FDABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)Cc2ccncc2)C1 ZINC000257283874 529987876 /nfs/dbraw/zinc/98/78/76/529987876.db2.gz PAGFICMBDCBMEH-HXUWFJFHSA-N 0 3 357.429 1.859 40 0 FDABHN Cc1ccc(C(=O)NCc2nccnc2C2CCN(C)CC2)c(=O)n1C ZINC000257203470 223017701 /nfs/dbraw/zinc/01/77/01/223017701.db2.gz AQEUJRILZTYAQV-UHFFFAOYSA-N 0 3 355.442 1.223 40 0 FDABHN Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1 ZINC000257267737 223044160 /nfs/dbraw/zinc/04/41/60/223044160.db2.gz MIOSIPQDUZCVDC-YSHGAJCASA-N 0 3 370.453 1.195 40 0 FDABHN CN(C)C(=O)c1sc2nc(C3(C)CCN(CCO)CC3)ccc2c1N ZINC000257281067 223049562 /nfs/dbraw/zinc/04/95/62/223049562.db2.gz ONLYVHRPDMIWGK-UHFFFAOYSA-N 0 3 362.499 1.926 40 0 FDABHN CN(C)CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)cc1 ZINC000257294242 223054063 /nfs/dbraw/zinc/05/40/63/223054063.db2.gz QTEFWSXVFKHCHE-KZNAEPCWSA-N 0 3 358.442 1.318 40 0 FDABHN Cc1cccnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)C ZINC000257341401 223071980 /nfs/dbraw/zinc/07/19/80/223071980.db2.gz ZKDVLRJSIGCJCE-FPAYPSAMSA-N 0 3 373.428 1.770 40 0 FDABHN CN(C)C(=O)c1nnc2n1CCN(C)C21CCN(Cc2ccccc2)CC1 ZINC000306142057 223112749 /nfs/dbraw/zinc/11/27/49/223112749.db2.gz WOGDHOXMQIRTFS-UHFFFAOYSA-N 0 3 368.485 1.417 40 0 FDABHN C[C@@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@@H](C)C3)CC2)C1 ZINC000013084594 220057450 /nfs/dbraw/zinc/05/74/50/220057450.db2.gz PXZFTQIYTKXVSW-QZTJIDSGSA-N 0 3 364.534 1.121 40 0 FDABHN Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)n1 ZINC000019237985 220243564 /nfs/dbraw/zinc/24/35/64/220243564.db2.gz QESFRBVKZVLHQK-GUYCJALGSA-N 0 3 354.458 1.627 40 0 FDABHN CC(C)n1cc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)cn1 ZINC000019454913 220258752 /nfs/dbraw/zinc/25/87/52/220258752.db2.gz BJVATJVFKPSRDN-AWEZNQCLSA-N 0 3 354.458 1.920 40 0 FDABHN Cc1cc(C)c2cc(CNCCN3CCOCC3)c3nn(C)c(=O)n3c2c1 ZINC000019569342 220273093 /nfs/dbraw/zinc/27/30/93/220273093.db2.gz MXEYZPYOCYCXRS-UHFFFAOYSA-N 0 3 369.469 1.225 40 0 FDABHN CNc1cc(C)nc([C@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)c1 ZINC000257209221 533046249 /nfs/dbraw/zinc/04/62/49/533046249.db2.gz BPMIFCBCBRTNQM-GOSISDBHSA-N 0 3 357.458 1.925 40 0 FDABHN CN1C(=O)NC2(CCN(C(=O)c3ccccc3CN3CCCC3)CC2)C1=O ZINC000019662396 220284048 /nfs/dbraw/zinc/28/40/48/220284048.db2.gz BIFHQUDHKVQTGC-UHFFFAOYSA-N 0 3 370.453 1.439 40 0 FDABHN CCN(C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)C1CCN(C)CC1 ZINC000019664939 220284070 /nfs/dbraw/zinc/28/40/70/220284070.db2.gz KIIMUELKDDGDHJ-UHFFFAOYSA-N 0 3 364.490 1.430 40 0 FDABHN CCOCc1ccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCNCC3)cc1 ZINC000019710634 220287930 /nfs/dbraw/zinc/28/79/30/220287930.db2.gz DVOTZDNSXMMBTK-QGZVFWFLSA-N 0 3 369.469 1.938 40 0 FDABHN O=C(CN1CCc2nnc([C@@H]3CCCN3)n2CC1)Nc1ccc(F)cc1 ZINC000019706524 220288677 /nfs/dbraw/zinc/28/86/77/220288677.db2.gz YAWINSCEQVWGRS-HNNXBMFYSA-N 0 3 358.421 1.339 40 0 FDABHN NC(=O)C1CCN(CCCNC(=O)c2cn3cc(Cl)ccc3n2)CC1 ZINC000019716853 220290374 /nfs/dbraw/zinc/29/03/74/220290374.db2.gz VOQVEIUVFDGXCY-UHFFFAOYSA-N 0 3 363.849 1.305 40 0 FDABHN CN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000061031056 221133655 /nfs/dbraw/zinc/13/36/55/221133655.db2.gz QNVGUQRKTTWRDI-UHFFFAOYSA-N 0 3 359.879 1.171 40 0 FDABHN CN(C)c1cc(C[C@H]2CNCCN(C(=O)Cc3ccc(F)cc3)C2)ncn1 ZINC000072355170 221478715 /nfs/dbraw/zinc/47/87/15/221478715.db2.gz HVXWYFCXAWSWJB-INIZCTEOSA-N 0 3 371.460 1.515 40 0 FDABHN CNC(=O)[C@]12CN(Cc3cccnc3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251101 132224355 /nfs/dbraw/zinc/22/43/55/132224355.db2.gz 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ZINC000328963421 263469520 /nfs/dbraw/zinc/46/95/20/263469520.db2.gz BNDCDNMAZMDZFL-UHFFFAOYSA-N 0 3 368.363 1.147 40 0 FDABHN COc1cc(COC[C@H](O)CN2CCSCC2)cc(OC)c1OC ZINC000002692782 518247249 /nfs/dbraw/zinc/24/72/49/518247249.db2.gz BRIRCNDSKQFIDU-CQSZACIVSA-N 0 3 357.472 1.639 40 0 FDABHN C[C@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@H](C)C3)CC2)C1 ZINC000004895370 518316486 /nfs/dbraw/zinc/31/64/86/518316486.db2.gz PXZFTQIYTKXVSW-ROUUACIJSA-N 0 3 364.534 1.121 40 0 FDABHN CN1CC[C@@]23c4ccccc4N4C(=O)C[C@H]5OCC=C(C1)[C@H](CC2=O)[C@H]5[C@@H]43 ZINC000005082642 518328670 /nfs/dbraw/zinc/32/86/70/518328670.db2.gz RNZRHJNFQWMXHB-XNROMZQHSA-N 0 3 364.445 1.909 40 0 FDABHN N[C@H]1CCN2C(=O)c3cc(-c4ccc5c(c4)OCO5)ccc3NC(=O)[C@H]12 ZINC000008296596 518466917 /nfs/dbraw/zinc/46/69/17/518466917.db2.gz AOASMOYBLLZHCY-GUYCJALGSA-N 0 3 351.362 1.576 40 0 biogenic,in-vitro FDABHN CN1C[C@H](C(=O)NC2CCN(CC3(c4ccccc4)CC3)CC2)CC1=O ZINC000012187137 518594973 /nfs/dbraw/zinc/59/49/73/518594973.db2.gz MLLBNFQYWBLZBL-MRXNPFEDSA-N 0 3 355.482 1.777 40 0 FDABHN Cc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cs1 ZINC000019572079 518817888 /nfs/dbraw/zinc/81/78/88/518817888.db2.gz QIURMMIDBPIUJJ-UHFFFAOYSA-N 0 3 360.483 1.990 40 0 FDABHN Cc1cc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)cs1 ZINC000019572079 518817901 /nfs/dbraw/zinc/81/79/01/518817901.db2.gz QIURMMIDBPIUJJ-UHFFFAOYSA-N 0 3 360.483 1.990 40 0 FDABHN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000038754559 519636007 /nfs/dbraw/zinc/63/60/07/519636007.db2.gz HQBODGWSHSDPOE-UHFFFAOYSA-N 0 3 367.515 1.215 40 0 FDABHN CCN1CCN(C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000041689837 519664987 /nfs/dbraw/zinc/66/49/87/519664987.db2.gz DMIGJWAXIOYLTP-KGMASTOKSA-N 0 3 366.546 1.987 40 0 FDABHN Cc1ccsc1CN1C[C@@H]2c3nn(CC4CCC4)c(=O)c(=O)n3C[C@@H]2C1 ZINC000306137464 534472413 /nfs/dbraw/zinc/47/24/13/534472413.db2.gz QXDNBBRDULSXFE-GJZGRUSLSA-N 0 3 372.494 1.804 40 0 FDABHN O=C(c1ccc(N2CCCC2)cc1)N1CCn2c(nnc2[C@@H]2CCCN2)C1 ZINC000072373966 522229315 /nfs/dbraw/zinc/22/93/15/522229315.db2.gz GYQOYWQSPBQEJN-KRWDZBQOSA-N 0 3 366.469 1.959 40 0 FDABHN CN(C)Cc1ccc(C(=O)N2CCC[C@]2(C)C(=O)N2CCOCC2)cc1 ZINC000072392244 522230599 /nfs/dbraw/zinc/23/05/99/522230599.db2.gz AHJUZKCKQLJLHU-HXUWFJFHSA-N 0 3 359.470 1.602 40 0 FDABHN Cc1cnn(CC(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)c1 ZINC000257208234 534733068 /nfs/dbraw/zinc/73/30/68/534733068.db2.gz BLGXOFLGCLXFME-HXUWFJFHSA-N 0 3 354.454 1.213 40 0 FDABHN COc1ccc(CN2CCC3(C[C@H](OCC(=O)N(C)C)CO3)CC2)cc1 ZINC000096047831 525126571 /nfs/dbraw/zinc/12/65/71/525126571.db2.gz SLHFVJNSWXRABF-SFHVURJKSA-N 0 3 362.470 1.924 40 0 FDABHN Cc1ccc([C@@H]2NC(=NC[C@H]3CCCO3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104138203 525396311 /nfs/dbraw/zinc/39/63/11/525396311.db2.gz CSKUUUAXGAGGTK-NVXWUHKLSA-N 0 3 353.426 1.957 40 0 FDABHN CC(C)CNC(=O)c1nnc2n1CCN1CCN(CC3CCCCC3)C[C@H]21 ZINC000306140131 528064300 /nfs/dbraw/zinc/06/43/00/528064300.db2.gz ULGJILZGYIIYPE-QGZVFWFLSA-N 0 3 374.533 1.917 40 0 FDABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cn2ccnc2C)C1 ZINC000257250647 528861685 /nfs/dbraw/zinc/86/16/85/528861685.db2.gz JNKMYPMGAWBIRZ-IBGZPJMESA-N 0 3 357.458 1.072 40 0 FDABHN CCN1C(=O)C[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1OC ZINC000257258639 528953018 /nfs/dbraw/zinc/95/30/18/528953018.db2.gz KUWMEQVCELOLGG-APWZRJJASA-N 0 3 359.470 1.817 40 0 FDABHN O=C(c1cc(=O)[n-]cn1)N1Cc2ccnn2CC[C@@H]1C[NH+]1CCCCC1 ZINC000585096982 551569497 /nfs/dbraw/zinc/56/94/97/551569497.db2.gz GJDNXFAEZUNTEQ-CQSZACIVSA-N 0 3 356.430 1.279 40 0 FDABHN Cc1ncc(CN2CCC[C@]3(CN(c4ccc(=O)n(C)c4)C3=O)C2)s1 ZINC000585099581 551570838 /nfs/dbraw/zinc/57/08/38/551570838.db2.gz RDCJJRBFIUKCEE-GOSISDBHSA-N 0 3 358.467 1.779 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@@H](C[N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585104593 551572070 /nfs/dbraw/zinc/57/20/70/551572070.db2.gz QVRYFAQCVALUAI-QZTJIDSGSA-N 0 3 360.454 1.470 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@@H](C[N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585104593 551572071 /nfs/dbraw/zinc/57/20/71/551572071.db2.gz QVRYFAQCVALUAI-QZTJIDSGSA-N 0 3 360.454 1.470 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585105148 551572108 /nfs/dbraw/zinc/57/21/08/551572108.db2.gz ZOVURXNGYMSIRJ-PKOBYXMFSA-N 0 3 374.481 1.860 40 0 FDABHN O=C(c1ccc([O-])cc1)N1CCC2(CO[C@@H](C[N@@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585105148 551572110 /nfs/dbraw/zinc/57/21/10/551572110.db2.gz ZOVURXNGYMSIRJ-PKOBYXMFSA-N 0 3 374.481 1.860 40 0 FDABHN CC(C)N1C[C@@H]2COCCN2C2(CN(C(=O)COc3ccccc3)C2)C1 ZINC000604381730 553870111 /nfs/dbraw/zinc/87/01/11/553870111.db2.gz LTLSSJJSOPVEDD-QGZVFWFLSA-N 0 3 359.470 1.071 40 0 biogenic,in-vitro FDABHN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(Cc3ccccn3)CCN21 ZINC000253406417 560040248 /nfs/dbraw/zinc/04/02/48/560040248.db2.gz ULMNNQLJYKSSPT-VXKWHMMOSA-N 0 3 366.509 1.835 40 0 biogenic,in-vitro FDABHN Cc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@]2(CN)NC(=O)OC(C)(C)C)cc1 ZINC000242701687 571082744 /nfs/dbraw/zinc/08/27/44/571082744.db2.gz WKBASTRHGPAGMJ-CKEIUWERSA-N 0 3 354.472 1.728 40 0 FDABHN COc1cccc(S(=O)(=O)N(CCN(C)C)C2CCN(C)CC2)c1F ZINC000655558396 809672446 /nfs/dbraw/zinc/67/24/46/809672446.db2.gz QNGWEGFXYJRLML-UHFFFAOYSA-N 0 3 373.494 1.481 40 0 FDABHN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1ncc[nH]1 ZINC000257261849 223040940 /nfs/dbraw/zinc/04/09/40/223040940.db2.gz LIZWQZCKBYEOCU-NCOADZHNSA-N 0 3 356.426 1.185 40 0 FDABHN COc1ccc(CCN2CCC3(C[C@H](NC(C)=O)CN3C(C)=O)CC2)cc1 ZINC000257280165 223047837 /nfs/dbraw/zinc/04/78/37/223047837.db2.gz OJTIOSTXSZQDHC-IBGZPJMESA-N 0 3 373.497 1.829 40 0 FDABHN Cc1ncsc1CN1C[C@@H]2Cn3c(nnc3C(=O)NC3CC3)C[C@@H]2C1 ZINC000306143764 223115078 /nfs/dbraw/zinc/11/50/78/223115078.db2.gz YLOBRHWSBGTYIZ-VXGBXAGGSA-N 0 3 358.471 1.240 40 0 FDABHN Cc1ccc2c(c1)CN(C(=O)c1ccc(=O)[nH]n1)CC1(CCN(C)CC1)O2 ZINC000019219523 220241761 /nfs/dbraw/zinc/24/17/61/220241761.db2.gz SDOZQLBPVIRYCK-UHFFFAOYSA-N 0 3 368.437 1.990 40 0 FDABHN C[C@H](Cn1cccn1)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019457550 220257693 /nfs/dbraw/zinc/25/76/93/220257693.db2.gz ZOVFVUYECUMXPQ-OAHLLOKOSA-N 0 3 368.485 1.703 40 0 FDABHN CN(CC[NH+](C)C)c1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(=O)[n-]1 ZINC000019582503 220276788 /nfs/dbraw/zinc/27/67/88/220276788.db2.gz LFBPLZGKBXCTEM-CYBMUJFWSA-N 0 3 373.432 1.840 40 0 FDABHN CCN(C(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O)C1CCN(C)CC1 ZINC000019660329 220283779 /nfs/dbraw/zinc/28/37/79/220283779.db2.gz YMPQNMXEMNXIHA-INIZCTEOSA-N 0 3 358.442 1.444 40 0 FDABHN CC(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1 ZINC000019699839 220285658 /nfs/dbraw/zinc/28/56/58/220285658.db2.gz HYNPZMGRSFGIGG-HNNXBMFYSA-N 0 3 364.490 1.428 40 0 FDABHN CCc1cc(C(=O)N2CCc3nnc(C4CCN(C)CC4)n3CC2)on1 ZINC000019708992 220287749 /nfs/dbraw/zinc/28/77/49/220287749.db2.gz WHRUSKSSOQEJRN-UHFFFAOYSA-N 0 3 358.446 1.336 40 0 FDABHN CN1CCC(c2nnc3n2CCN(S(=O)(=O)c2ccccc2)C3)CC1 ZINC000019711269 220289090 /nfs/dbraw/zinc/28/90/90/220289090.db2.gz VYRJIELOACJQQR-UHFFFAOYSA-N 0 3 361.471 1.292 40 0 FDABHN C[C@H](c1cc(=O)[n-]c(N(C)CC[NH+](C)C)n1)n1ncc2ccccc2c1=O ZINC000019717538 220290141 /nfs/dbraw/zinc/29/01/41/220290141.db2.gz LZCTWXWKPZKCDB-CYBMUJFWSA-N 0 3 368.441 1.499 40 0 FDABHN CCN1CCN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1 ZINC000020411638 220326222 /nfs/dbraw/zinc/32/62/22/220326222.db2.gz RZJXEISZQFKAGA-RUNBYEGESA-N 0 3 362.514 1.909 40 0 FDABHN Cc1ccc(C)c(CN2CC[C@]3(C2)C[C@@H](NS(C)(=O)=O)CCO3)c1 ZINC000096107880 222025921 /nfs/dbraw/zinc/02/59/21/222025921.db2.gz VZUDKVFFFOMYFC-ZWKOTPCHSA-N 0 3 352.500 1.976 40 0 FDABHN CN(C)C(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccoc1)CCC2 ZINC000096056099 222004972 /nfs/dbraw/zinc/00/49/72/222004972.db2.gz DGUSHPBZKKATFN-PXNSSMCTSA-N 0 3 369.469 1.876 40 0 FDABHN Cc1ccccc1NC(=O)N1C[C@H]2C[C@H](C(=O)NCCN(C)C)[C@@H](C1)O2 ZINC000096253151 222101805 /nfs/dbraw/zinc/10/18/05/222101805.db2.gz UTYUZTUFLCJVAN-HLLBOEOZSA-N 0 3 360.458 1.294 40 0 FDABHN COC(=O)[C@@]12Oc3c4c(ccc3OC)C[C@H]3C(=CC=C1OC)[C@]42CCN3C ZINC000096316385 222114183 /nfs/dbraw/zinc/11/41/83/222114183.db2.gz ROOZZSFGECGYSX-DLPLYFIVSA-N 0 3 369.417 1.968 40 0 biogenic,in-vitro FDABHN Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(CC4CCOCC4)C3)C2)cn1 ZINC000096225969 222087511 /nfs/dbraw/zinc/08/75/11/222087511.db2.gz CYAKDWWTDXWSEK-IBGZPJMESA-N 0 3 373.457 1.049 40 0 FDABHN CN1CCN(C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)CC1 ZINC000096228461 222089427 /nfs/dbraw/zinc/08/94/27/222089427.db2.gz BLKRFBJFMNTCBA-YLJYHZDGSA-N 0 3 358.486 1.340 40 0 FDABHN CNC(=O)[C@@]12CCC3(CCN(Cc4ccccn4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000097952830 222218014 /nfs/dbraw/zinc/21/80/14/222218014.db2.gz QTIIULZGNLPFBJ-GHTZIAJQSA-N 0 3 370.497 1.668 40 0 FDABHN Cc1ccc(CN2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)s1 ZINC000306138420 533961638 /nfs/dbraw/zinc/96/16/38/533961638.db2.gz RXGJIORHKSDLMT-GDBMZVCRSA-N 0 3 372.494 1.804 40 0 FDABHN 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/nfs/dbraw/zinc/22/62/26/522226226.db2.gz SJYAUINCSJITPN-AWEZNQCLSA-N 0 3 355.446 1.600 40 0 FDABHN CC(C)CCN1CCO[C@H](Cn2nnc3c2ncnc3NCC2CC2)C1 ZINC000306144023 527726271 /nfs/dbraw/zinc/72/62/71/527726271.db2.gz YTRRUKHMJNORIN-HNNXBMFYSA-N 0 3 359.478 1.790 40 0 FDABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 ZINC000306139733 527730146 /nfs/dbraw/zinc/73/01/46/527730146.db2.gz TYUPIAQSAXDZSJ-LSDHHAIUSA-N 0 3 357.433 1.860 40 0 FDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cn(C)nc1C(F)F ZINC000585108407 551572932 /nfs/dbraw/zinc/57/29/32/551572932.db2.gz CTVRFECSDRWRKA-CHWSQXEVSA-N 0 3 369.416 1.125 40 0 FDABHN CN(C)C[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)c1ccsc1)CC3 ZINC000585110202 551573794 /nfs/dbraw/zinc/57/37/94/551573794.db2.gz WOFPDEYKFJPXEY-AWEZNQCLSA-N 0 3 372.494 1.942 40 0 FDABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)Cc3ccccc3)C2)C1 ZINC000514290221 560030446 /nfs/dbraw/zinc/03/04/46/560030446.db2.gz VHBWRHBYQXBQFR-RBUKOAKNSA-N 0 3 357.498 1.217 40 0 biogenic,in-vitro FDABHN OCCCOc1ccc(CNC[C@@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257203650 570627225 /nfs/dbraw/zinc/62/72/25/570627225.db2.gz ARAFHPYCXJESEX-FQEVSTJZSA-N 0 3 372.469 1.359 40 0 FDABHN CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)CC1 ZINC000257262234 571204608 /nfs/dbraw/zinc/20/46/08/571204608.db2.gz LKRLJWKRLBKTBE-BFYDXBDKSA-N 0 3 358.486 1.986 40 0 FDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCCn3cncn3)CCO2)n1 ZINC000257233396 223030268 /nfs/dbraw/zinc/03/02/68/223030268.db2.gz GPCSVVPXWLIDCQ-QGZVFWFLSA-N 0 3 358.446 1.428 40 0 FDABHN Cc1nccn1CC(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257239901 223033169 /nfs/dbraw/zinc/03/31/69/223033169.db2.gz HRHOWNZKDGZRNG-FQEVSTJZSA-N 0 3 354.454 1.213 40 0 FDABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@@H]1C2 ZINC000306125202 223107580 /nfs/dbraw/zinc/10/75/80/223107580.db2.gz CJDYSIMLMNOVBM-KBPBESRZSA-N 0 3 355.417 1.614 40 0 FDABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 ZINC000306133794 223110652 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CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)OCC(=O)N3Cc2ccccc2)CC1 ZINC000067897092 221302989 /nfs/dbraw/zinc/30/29/89/221302989.db2.gz RGPOAFIXZQCNCB-MOPGFXCFSA-N 0 3 357.454 1.109 40 0 biogenic,in-vitro FDABHN COc1cccc(CN2C[C@H]3Cn4c(nn(CC(C)C)c(=O)c4=O)[C@@H]3C2)c1 ZINC000306142058 533485824 /nfs/dbraw/zinc/48/58/24/533485824.db2.gz WOGKROWKGRUHHN-DOTOQJQBSA-N 0 3 370.453 1.299 40 0 FDABHN O=C(c1ccsc1)N1CCCn2c(=O)cc(CN3CCCC3)nc2C1 ZINC000096059584 222006882 /nfs/dbraw/zinc/00/68/82/222006882.db2.gz SCEQTERKXKRGIK-UHFFFAOYSA-N 0 3 358.467 1.947 40 0 FDABHN Cc1cccc(C(=O)N2CCCn3c(=O)cc(CN4CCCC4)nc3C2)n1 ZINC000096059587 222007336 /nfs/dbraw/zinc/00/73/36/222007336.db2.gz KMRSWPKUHLVTFZ-UHFFFAOYSA-N 0 3 367.453 1.589 40 0 FDABHN O=C(NCc1ccccn1)[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2 ZINC000096064867 222010523 /nfs/dbraw/zinc/01/05/23/222010523.db2.gz YQOXDFKJDWPUFD-UYAOXDASSA-N 0 3 352.438 1.774 40 0 FDABHN O=C1C2=C(CN1CCN1CCCC1)NC(=O)N[C@H]2c1ccc(F)c(F)c1 ZINC000012113459 518587496 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