smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1-c1noc(C[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)n1 ZINC000217835957 569453948 /nfs/dbraw/zinc/45/39/48/569453948.db2.gz ZOSBPCQOTQXZJU-KRWDZBQOSA-N 0 0 439.537 3.623 50 70 IHIARN CC(C)[C@H](NC(=O)CCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2n1C(C)C ZINC000218179199 557181056 /nfs/dbraw/zinc/18/10/56/557181056.db2.gz YTLVLMYFIAEJFC-QFIPXVFZSA-N 0 0 447.539 3.902 50 70 IHIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000218408944 557197734 /nfs/dbraw/zinc/19/77/34/557197734.db2.gz JWCHQENHEFZABG-GOSISDBHSA-N 0 0 436.420 3.789 50 70 IHIARN COC(=O)C[C@H](c1ccc(F)c(F)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000218495106 568759477 /nfs/dbraw/zinc/75/94/77/568759477.db2.gz DACQZQGONHEMCG-GOSISDBHSA-N 0 0 443.446 3.784 50 70 IHIARN C[C@@](O)(CNS(=O)(=O)c1ccccc1OC(F)(F)F)c1cc2ccccc2s1 ZINC000217515304 569447873 /nfs/dbraw/zinc/44/78/73/569447873.db2.gz PMFBPOZNKLNMQR-QGZVFWFLSA-N 0 0 431.457 3.986 50 70 IHIARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccc(O)cc2)o1 ZINC000217750369 569452617 /nfs/dbraw/zinc/45/26/17/569452617.db2.gz NURQTJNLLLSSAG-HXUWFJFHSA-N 0 0 444.487 3.948 50 70 biogenic IHIARN O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217802680 569453557 /nfs/dbraw/zinc/45/35/57/569453557.db2.gz IHVLYDZCVUANJY-INIZCTEOSA-N 0 0 438.459 3.769 50 70 IHIARN COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cn1 ZINC000217907963 569454813 /nfs/dbraw/zinc/45/48/13/569454813.db2.gz UXHDAECKGMNZCR-HSZRJFAPSA-N 0 0 442.475 3.624 50 70 biogenic IHIARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4ncn(CCC(C)C)c(=O)c4c3)ccc12 ZINC000218012656 569455890 /nfs/dbraw/zinc/45/58/90/569455890.db2.gz QWLUMWHHSDAEFG-UHFFFAOYSA-N 0 0 447.491 3.875 50 70 biogenic IHIARN CC(C)[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C(C)C ZINC000217913143 557174696 /nfs/dbraw/zinc/17/46/96/557174696.db2.gz PDYVHKHRQFUFBX-UGKGYDQZSA-N 0 0 447.539 3.571 50 70 biogenic IHIARN COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C ZINC000218500166 557203526 /nfs/dbraw/zinc/20/35/26/557203526.db2.gz AGWMCGVWWISUDA-WIYYLYMNSA-N 0 0 425.510 3.641 50 70 IHIARN Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217804747 569453532 /nfs/dbraw/zinc/45/35/32/569453532.db2.gz FURYAJHHCBWEGZ-HNNXBMFYSA-N 0 0 433.480 3.967 50 70 IHIARN O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217840522 569453932 /nfs/dbraw/zinc/45/39/32/569453932.db2.gz UEZVYVITRAVVAB-CYBMUJFWSA-N 0 0 448.310 3.694 50 70 IHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCc1ccccc1 ZINC000217847281 569454019 /nfs/dbraw/zinc/45/40/19/569454019.db2.gz ZSLCWDZMIQMVEP-XMMPIXPASA-N 0 0 425.488 3.898 50 70 biogenic IHIARN O=S(=O)(Cc1cc(F)ccc1F)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000217856042 569454177 /nfs/dbraw/zinc/45/41/77/569454177.db2.gz IJCVBDGTVYBPRT-ZDUSSCGKSA-N 0 0 439.509 3.861 50 70 IHIARN COc1cccc(N2C[C@H](C(=O)N(Cc3cc(C4CC4)n(C)n3)C3CCCC3)CC2=O)c1 ZINC000217899516 569454708 /nfs/dbraw/zinc/45/47/08/569454708.db2.gz SSPAVKPLGUGJLI-GOSISDBHSA-N 0 0 436.556 3.630 50 70 IHIARN CC(C)n1c(CNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)nc2ccccc21 ZINC000217935895 569455047 /nfs/dbraw/zinc/45/50/47/569455047.db2.gz QZWCIIQKRIDHNY-UHFFFAOYSA-N 0 0 437.496 3.762 50 70 biogenic IHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccccc1O ZINC000218091529 569456238 /nfs/dbraw/zinc/45/62/38/569456238.db2.gz JWCFXTLLEXUECF-QHCPKHFHSA-N 0 0 427.460 3.926 50 70 biogenic IHIARN CC(C)(C)c1csc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1 ZINC000218218641 557182824 /nfs/dbraw/zinc/18/28/24/557182824.db2.gz DDASJMRKSZDSSR-AWEZNQCLSA-N 0 0 434.949 3.933 50 70 IHIARN COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000218495191 568759498 /nfs/dbraw/zinc/75/94/98/568759498.db2.gz DACQZQGONHEMCG-SFHVURJKSA-N 0 0 443.446 3.784 50 70 IHIARN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)c1 ZINC000217803646 569453531 /nfs/dbraw/zinc/45/35/31/569453531.db2.gz AVUJBUOFMUQUJA-MRXNPFEDSA-N 0 0 443.500 3.722 50 70 IHIARN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4F)no3)C2)c1 ZINC000217803728 569453539 /nfs/dbraw/zinc/45/35/39/569453539.db2.gz AVUJBUOFMUQUJA-INIZCTEOSA-N 0 0 443.500 3.722 50 70 IHIARN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4C)no3)C2)c1 ZINC000217835360 569453934 /nfs/dbraw/zinc/45/39/34/569453934.db2.gz JTEXMEQQJSOYMZ-SFHVURJKSA-N 0 0 439.537 3.891 50 70 IHIARN COc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c2ccccc12 ZINC000217882529 569454558 /nfs/dbraw/zinc/45/45/58/569454558.db2.gz ACMPNWJLHHYBKF-VXKWHMMOSA-N 0 0 443.503 3.653 50 70 biogenic IHIARN CC(C)CCn1cnc2ccc(NC(=O)CCCn3cnc4ccccc4c3=O)cc2c1=O ZINC000217976928 569455565 /nfs/dbraw/zinc/45/55/65/569455565.db2.gz WVHGBKQPBLFTOI-UHFFFAOYSA-N 0 0 445.523 3.571 50 70 biogenic IHIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccc(F)c(F)c1F ZINC000218159404 569456517 /nfs/dbraw/zinc/45/65/17/569456517.db2.gz YIGRHMDNOSAOCJ-NRFANRHFSA-N 0 0 437.377 3.857 50 70 IHIARN COc1ccc(CCn2cc(C(=O)Nc3nnc(C(C)C)[nH]3)c3ccccc3c2=O)cc1 ZINC000218191979 557181595 /nfs/dbraw/zinc/18/15/95/557181595.db2.gz WQLXESWDBBHHMG-UHFFFAOYSA-N 0 0 431.496 3.747 50 70 IHIARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cccnc2)o1 ZINC000217718162 569452111 /nfs/dbraw/zinc/45/21/11/569452111.db2.gz CMHBYYDHXBOBQZ-IBGZPJMESA-N 0 0 429.476 3.637 50 70 biogenic IHIARN Cc1cc(O[C@H]2CCN(C(=O)CCc3ccc(Cl)c(C(F)(F)F)c3)C2)cc(=O)n1C ZINC000217772252 569453027 /nfs/dbraw/zinc/45/30/27/569453027.db2.gz CTCKRUFGRSJXDM-HNNXBMFYSA-N 0 0 442.865 3.978 50 70 IHIARN COc1ccc([C@@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc1OC ZINC000218121454 569456463 /nfs/dbraw/zinc/45/64/63/569456463.db2.gz KDGILIHQRFUPTP-IBGZPJMESA-N 0 0 435.476 3.563 50 70 biogenic IHIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 ZINC000218558769 569458488 /nfs/dbraw/zinc/45/84/88/569458488.db2.gz WQOYGYUTASGJHS-MRXNPFEDSA-N 0 0 429.394 3.963 50 70 IHIARN CC(C)c1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n(-c2ccccc2)n1 ZINC000218236996 557183753 /nfs/dbraw/zinc/18/37/53/557183753.db2.gz CTHXLCLJRDMOPK-UHFFFAOYSA-N 0 0 432.524 3.682 50 70 IHIARN CC(C)C[C@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000218305944 557191550 /nfs/dbraw/zinc/19/15/50/557191550.db2.gz GPZZYTKRCASDPB-NRFANRHFSA-N 0 0 431.540 3.967 50 70 IHIARN CC(C)[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C(C)C ZINC000218429926 557199300 /nfs/dbraw/zinc/19/93/00/557199300.db2.gz FYVVVLPHKKOYKC-QHCPKHFHSA-N 0 0 431.540 3.920 50 70 IHIARN COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000217569435 569448834 /nfs/dbraw/zinc/44/88/34/569448834.db2.gz ALEPFDLGUHWRCF-OAHLLOKOSA-N 0 0 441.958 3.802 50 70 IHIARN COc1ccc(CCC(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1Br ZINC000217672181 569451488 /nfs/dbraw/zinc/45/14/88/569451488.db2.gz FHFFCGHTCDKCSX-UHFFFAOYSA-N 0 0 441.329 3.732 50 70 IHIARN COc1ccc(CC(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4F)no3)C2)cc1OC ZINC000217797017 569453390 /nfs/dbraw/zinc/45/33/90/569453390.db2.gz BCOOIZVMFBSMQJ-KRWDZBQOSA-N 0 0 439.487 3.917 50 70 IHIARN CCn1nc(C)c(S(=O)(=O)N2CCC[C@H](Cc3nc(-c4ccccc4C)no3)C2)c1C ZINC000217836126 569453955 /nfs/dbraw/zinc/45/39/55/569453955.db2.gz HVQQFFQMWPFUDM-GOSISDBHSA-N 0 0 443.573 3.522 50 70 IHIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc(O)c(Cl)c1)CC(=O)O2 ZINC000217987153 569455584 /nfs/dbraw/zinc/45/55/84/569455584.db2.gz HQCGIBZAZGGGIY-QGZVFWFLSA-N 0 0 425.868 3.905 50 70 biogenic IHIARN COc1ccc([C@H](c2sc3ncnn3c2[O-])[N@H+](C)C2CCCCC2)c(OC)c1OC ZINC000218486026 557202679 /nfs/dbraw/zinc/20/26/79/557202679.db2.gz DTVJKSGJANEMOM-MRXNPFEDSA-N 0 0 432.546 3.876 50 70 IHIARN COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C ZINC000218500017 557203621 /nfs/dbraw/zinc/20/36/21/557203621.db2.gz AGWMCGVWWISUDA-NQIIRXRSSA-N 0 0 425.510 3.641 50 70 IHIARN C[C@](O)(CNS(=O)(=O)c1ccccc1Br)c1cc2ccccc2s1 ZINC000217514617 569447875 /nfs/dbraw/zinc/44/78/75/569447875.db2.gz PPHCIZPZZSWBBU-KRWDZBQOSA-N 0 0 426.357 3.850 50 70 IHIARN Cc1cc(O[C@@H]2CCN(C(=O)CCc3ccc(OCc4ccccc4)cc3)C2)cc(=O)n1C ZINC000217772020 569453015 /nfs/dbraw/zinc/45/30/15/569453015.db2.gz VMXGCKFDIVJKFW-XMMPIXPASA-N 0 0 446.547 3.885 50 70 IHIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000217789086 569453222 /nfs/dbraw/zinc/45/32/22/569453222.db2.gz UCTHRWROIRBKGX-IBGZPJMESA-N 0 0 433.460 3.614 50 70 biogenic IHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccccc1O ZINC000218091455 569456259 /nfs/dbraw/zinc/45/62/59/569456259.db2.gz JWCFXTLLEXUECF-HSZRJFAPSA-N 0 0 427.460 3.926 50 70 biogenic IHIARN CC(C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2n1C(C)C ZINC000218121639 569456417 /nfs/dbraw/zinc/45/64/17/569456417.db2.gz LWJKEIDPOGVZNG-DEOSSOPVSA-N 0 0 435.572 3.956 50 70 IHIARN CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1)c1nc2ccccc2[nH]1 ZINC000218192468 557181589 /nfs/dbraw/zinc/18/15/89/557181589.db2.gz CPAFCIQBHFBLLZ-LIRRHRJNSA-N 0 0 448.502 3.835 50 70 IHIARN CC(C)Cc1nc2cc(NC(=O)CC[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)ccc2[nH]1 ZINC000218206882 557182070 /nfs/dbraw/zinc/18/20/70/557182070.db2.gz ARRFOOSHCCAQDO-IBGZPJMESA-N 0 0 433.512 3.601 50 70 IHIARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1cccc(O)c1 ZINC000217728602 569452294 /nfs/dbraw/zinc/45/22/94/569452294.db2.gz GOWGNAKKDQLLCN-IBGZPJMESA-N 0 0 436.508 3.798 50 70 biogenic IHIARN CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)c1nc2ccccc2n1C ZINC000218553237 557207038 /nfs/dbraw/zinc/20/70/38/557207038.db2.gz OGSQDLAGIQNJHO-UZLBHIALSA-N 0 0 444.539 3.706 50 70 IHIARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cn(C[C@H](O)c2ccccc2F)nn1 ZINC000217474975 569446746 /nfs/dbraw/zinc/44/67/46/569446746.db2.gz JKKKRFSHSQJGDK-QFIPXVFZSA-N 0 0 442.454 3.946 50 70 IHIARN C[C@@](O)(CNS(=O)(=O)c1ccccc1Br)c1cc2ccccc2s1 ZINC000217514539 569447897 /nfs/dbraw/zinc/44/78/97/569447897.db2.gz PPHCIZPZZSWBBU-QGZVFWFLSA-N 0 0 426.357 3.850 50 70 IHIARN O=C1OC2(CCN(S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc21 ZINC000217551363 569448511 /nfs/dbraw/zinc/44/85/11/569448511.db2.gz RUNRMHDYNZMKJH-UHFFFAOYSA-N 0 0 425.428 3.697 50 70 IHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1ccco1 ZINC000217661455 569451173 /nfs/dbraw/zinc/45/11/73/569451173.db2.gz AITWPHSMZNNJCG-HSZRJFAPSA-N 0 0 429.476 3.534 50 70 biogenic IHIARN CC(C)[C@H](CCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000217709273 569452001 /nfs/dbraw/zinc/45/20/01/569452001.db2.gz OKDLONHGQVOZQL-PXNSSMCTSA-N 0 0 427.932 3.727 50 70 biogenic IHIARN CCOc1ccccc1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217803927 569453540 /nfs/dbraw/zinc/45/35/40/569453540.db2.gz HEAJSJGLIXNZFR-INIZCTEOSA-N 0 0 445.516 3.918 50 70 IHIARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)n1 ZINC000217833902 569453896 /nfs/dbraw/zinc/45/38/96/569453896.db2.gz LZFVHHFELGCHNA-SFHVURJKSA-N 0 0 434.496 3.938 50 70 IHIARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217840696 569453961 /nfs/dbraw/zinc/45/39/61/569453961.db2.gz SRAAJXYRKLQBMO-OAHLLOKOSA-N 0 0 441.919 3.819 50 70 IHIARN Cn1c2ccc([C@H]3CC(=O)Oc4ccc5c(c43)OC3(CCCCC3)CC5=O)cc2n(C)c1=O ZINC000218013561 569455879 /nfs/dbraw/zinc/45/58/79/569455879.db2.gz GUALVSMXSUJECI-QGZVFWFLSA-N 0 0 446.503 3.986 50 70 biogenic IHIARN COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCCCCC2)c(OC)c1OC ZINC000218420698 557198342 /nfs/dbraw/zinc/19/83/42/557198342.db2.gz NHBMXBWRXOTTGG-INIZCTEOSA-N 0 0 432.546 3.796 50 70 IHIARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1 ZINC000217506331 569447544 /nfs/dbraw/zinc/44/75/44/569447544.db2.gz YRVQOLSCQZDJKK-JOCHJYFZSA-N 0 0 446.594 3.569 50 70 IHIARN COc1ccc(Br)c(C(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c1 ZINC000217657734 569451175 /nfs/dbraw/zinc/45/11/75/569451175.db2.gz SYSDKDUYGAOFOS-HNNXBMFYSA-N 0 0 427.302 3.803 50 70 IHIARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1cccc(O)c1 ZINC000217728516 569452289 /nfs/dbraw/zinc/45/22/89/569452289.db2.gz GOWGNAKKDQLLCN-LJQANCHMSA-N 0 0 436.508 3.798 50 70 biogenic IHIARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n1 ZINC000217835584 569453980 /nfs/dbraw/zinc/45/39/80/569453980.db2.gz FONBRGIHGWYBBA-HNNXBMFYSA-N 0 0 433.480 3.967 50 70 IHIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccc2[nH]cnc2c1 ZINC000217932286 569455015 /nfs/dbraw/zinc/45/50/15/569455015.db2.gz PGKUKIIEGSBSDK-QHCPKHFHSA-N 0 0 437.459 3.707 50 70 biogenic IHIARN CC(C)(C)OC(=O)NC1CC[NH+]([C@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1 ZINC000218516465 557204893 /nfs/dbraw/zinc/20/48/93/557204893.db2.gz IMXDYYMHTQBKQV-INIZCTEOSA-N 0 0 447.536 3.714 50 70 IHIARN O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217794570 569453401 /nfs/dbraw/zinc/45/34/01/569453401.db2.gz HMYVWBRINCXTTF-MRXNPFEDSA-N 0 0 432.459 3.551 50 70 IHIARN O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217836886 569453937 /nfs/dbraw/zinc/45/39/37/569453937.db2.gz CAYAXTMROCXWLV-OAHLLOKOSA-N 0 0 432.509 3.745 50 70 IHIARN CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](Cc3nc(-c4ccccc4C)no3)C2)c1 ZINC000217835425 569453940 /nfs/dbraw/zinc/45/39/40/569453940.db2.gz JTEXMEQQJSOYMZ-GOSISDBHSA-N 0 0 439.537 3.891 50 70 IHIARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217846411 569454049 /nfs/dbraw/zinc/45/40/49/569454049.db2.gz UNPPPLDQIFTDPW-OAHLLOKOSA-N 0 0 431.418 3.569 50 70 IHIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1nc2c(s1)CCC2 ZINC000217851490 569454086 /nfs/dbraw/zinc/45/40/86/569454086.db2.gz ICPCPLZVSXKVRH-NRFANRHFSA-N 0 0 444.516 3.775 50 70 biogenic IHIARN COc1cccc(N2C[C@@H](C(=O)N(Cc3cc(C4CC4)n(C)n3)C3CCCC3)CC2=O)c1 ZINC000217899586 569454696 /nfs/dbraw/zinc/45/46/96/569454696.db2.gz SSPAVKPLGUGJLI-SFHVURJKSA-N 0 0 436.556 3.630 50 70 IHIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000218261927 557185715 /nfs/dbraw/zinc/18/57/15/557185715.db2.gz MYFALAQEHDCHHM-QGZVFWFLSA-N 0 0 434.452 3.607 50 70 IHIARN COC(=O)C[C@@H](c1ccccc1OC)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000217624606 569450369 /nfs/dbraw/zinc/45/03/69/569450369.db2.gz PZVPWBQUDZTBCZ-FQEVSTJZSA-N 0 0 437.492 3.514 50 70 biogenic IHIARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccncc2)o1 ZINC000217641080 569450693 /nfs/dbraw/zinc/45/06/93/569450693.db2.gz QEIXXOVHBOUQHM-IBGZPJMESA-N 0 0 429.476 3.637 50 70 biogenic IHIARN COc1ccc(CC(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)cc1OC ZINC000217796952 569453391 /nfs/dbraw/zinc/45/33/91/569453391.db2.gz BCOOIZVMFBSMQJ-QGZVFWFLSA-N 0 0 439.487 3.917 50 70 IHIARN CCn1nc(C)c(S(=O)(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4C)no3)C2)c1C ZINC000217836199 569453966 /nfs/dbraw/zinc/45/39/66/569453966.db2.gz HVQQFFQMWPFUDM-SFHVURJKSA-N 0 0 443.573 3.522 50 70 IHIARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217846490 569454012 /nfs/dbraw/zinc/45/40/12/569454012.db2.gz UNPPPLDQIFTDPW-HNNXBMFYSA-N 0 0 431.418 3.569 50 70 IHIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2n[nH]c(C(C)C)n2)c1 ZINC000218245959 557184277 /nfs/dbraw/zinc/18/42/77/557184277.db2.gz XRFLKTCIZBVKGP-KRWDZBQOSA-N 0 0 436.468 3.853 50 70 IHIARN COC(=O)c1sccc1S(=O)(=O)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000217632387 569450631 /nfs/dbraw/zinc/45/06/31/569450631.db2.gz GDQQJFWPIMJNNP-AWEZNQCLSA-N 0 0 437.486 3.990 50 70 IHIARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217845244 569454051 /nfs/dbraw/zinc/45/40/51/569454051.db2.gz IKIQAJYPMPKSHW-CYBMUJFWSA-N 0 0 433.390 3.520 50 70 IHIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccc(F)c(F)c1F ZINC000218159321 569456472 /nfs/dbraw/zinc/45/64/72/569456472.db2.gz YIGRHMDNOSAOCJ-OAQYLSRUSA-N 0 0 437.377 3.857 50 70 IHIARN CC(C)[C@H](NC(=O)CCCCCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000218313832 557192284 /nfs/dbraw/zinc/19/22/84/557192284.db2.gz FUCHVZSNWOUEOM-QHCPKHFHSA-N 0 0 446.555 3.752 50 70 IHIARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C ZINC000218500087 557203516 /nfs/dbraw/zinc/20/35/16/557203516.db2.gz AGWMCGVWWISUDA-GHTZIAJQSA-N 0 0 425.510 3.641 50 70 IHIARN COc1ccc(Br)c(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c1 ZINC000217657836 569451144 /nfs/dbraw/zinc/45/11/44/569451144.db2.gz SYSDKDUYGAOFOS-OAHLLOKOSA-N 0 0 427.302 3.803 50 70 IHIARN Cc1cc(O[C@H]2CCN(C(=O)CCc3ccc(OCc4ccccc4)cc3)C2)cc(=O)n1C ZINC000217772087 569453033 /nfs/dbraw/zinc/45/30/33/569453033.db2.gz VMXGCKFDIVJKFW-DEOSSOPVSA-N 0 0 446.547 3.885 50 70 IHIARN O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217840593 569453950 /nfs/dbraw/zinc/45/39/50/569453950.db2.gz UEZVYVITRAVVAB-ZDUSSCGKSA-N 0 0 448.310 3.694 50 70 IHIARN Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2c1CCC2 ZINC000217907407 569454824 /nfs/dbraw/zinc/45/48/24/569454824.db2.gz MDRHCTXXFDMBTL-UHFFFAOYSA-N 0 0 439.459 3.912 50 70 IHIARN Cc1nc(CC(=O)NC[C@]2(C)C[C@H](NC(=O)Cc3csc(C)n3)CC(C)(C)C2)cs1 ZINC000216698727 557151508 /nfs/dbraw/zinc/15/15/08/557151508.db2.gz HPYKDISWCYIAQN-XMSQKQJNSA-N 0 0 448.658 3.819 50 70 IHIARN CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1)c1nc2ccccc2n1C ZINC000218553319 557207027 /nfs/dbraw/zinc/20/70/27/557207027.db2.gz OGSQDLAGIQNJHO-JXFKEZNVSA-N 0 0 444.539 3.706 50 70 IHIARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1 ZINC000217506251 569447519 /nfs/dbraw/zinc/44/75/19/569447519.db2.gz YRVQOLSCQZDJKK-QFIPXVFZSA-N 0 0 446.594 3.569 50 70 IHIARN C[C@@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1 ZINC000217520225 569447883 /nfs/dbraw/zinc/44/78/83/569447883.db2.gz GZXLMHWTFHUWHC-LJQANCHMSA-N 0 0 438.427 3.762 50 70 IHIARN COC(=O)c1sccc1S(=O)(=O)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000217632284 569450673 /nfs/dbraw/zinc/45/06/73/569450673.db2.gz GDQQJFWPIMJNNP-CQSZACIVSA-N 0 0 437.486 3.990 50 70 IHIARN O=C(NCc1ccc2c(c1)OCO2)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217802751 569453582 /nfs/dbraw/zinc/45/35/82/569453582.db2.gz IHVLYDZCVUANJY-MRXNPFEDSA-N 0 0 438.459 3.769 50 70 IHIARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217840777 569453941 /nfs/dbraw/zinc/45/39/41/569453941.db2.gz SRAAJXYRKLQBMO-HNNXBMFYSA-N 0 0 441.919 3.819 50 70 IHIARN Cn1c2ccc([C@@H]3CC(=O)Oc4ccc5c(c43)OC3(CCCCC3)CC5=O)cc2n(C)c1=O ZINC000218013483 569455837 /nfs/dbraw/zinc/45/58/37/569455837.db2.gz GUALVSMXSUJECI-KRWDZBQOSA-N 0 0 446.503 3.986 50 70 biogenic IHIARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000218283144 557187592 /nfs/dbraw/zinc/18/75/92/557187592.db2.gz NEPABHQOYIEGJA-NQIIRXRSSA-N 0 0 449.482 3.588 50 70 IHIARN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C ZINC000218499949 557203602 /nfs/dbraw/zinc/20/36/02/557203602.db2.gz AGWMCGVWWISUDA-RXVVDRJESA-N 0 0 425.510 3.641 50 70 IHIARN COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c2ccccc12 ZINC000217882615 569454557 /nfs/dbraw/zinc/45/45/57/569454557.db2.gz ACMPNWJLHHYBKF-FCHUYYIVSA-N 0 0 443.503 3.653 50 70 biogenic IHIARN COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218286350 557187901 /nfs/dbraw/zinc/18/79/01/557187901.db2.gz VIBCNWRHNKWSSN-KRWDZBQOSA-N 0 0 437.439 3.628 50 70 IHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1 ZINC000218464718 557201213 /nfs/dbraw/zinc/20/12/13/557201213.db2.gz MRGVWZRIXLDOMK-INIZCTEOSA-N 0 0 435.503 3.940 50 70 IHIARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cn(C[C@@H](O)c2ccccc2F)nn1 ZINC000217474893 569446771 /nfs/dbraw/zinc/44/67/71/569446771.db2.gz JKKKRFSHSQJGDK-JOCHJYFZSA-N 0 0 442.454 3.946 50 70 IHIARN COc1ccc(CCc2nnc(NC(=O)c3cn(C(C)C)c(=O)c4ccccc34)[nH]2)cc1 ZINC000218143601 557180089 /nfs/dbraw/zinc/18/00/89/557180089.db2.gz VBUOGUVQTKKKNK-UHFFFAOYSA-N 0 0 431.496 3.747 50 70 IHIARN COC(=O)c1nc(NC(=O)CC2(n3cccc3)CCOCC2)sc1Cc1ccccc1 ZINC000218271548 557186673 /nfs/dbraw/zinc/18/66/73/557186673.db2.gz KYYREMYPGSTOBE-UHFFFAOYSA-N 0 0 439.537 3.857 50 70 IHIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1ccccc1 ZINC000217812989 569453613 /nfs/dbraw/zinc/45/36/13/569453613.db2.gz HNEIKSYDLHUTKK-DEOSSOPVSA-N 0 0 425.488 3.550 50 70 biogenic IHIARN COC(=O)[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000217884227 569454540 /nfs/dbraw/zinc/45/45/40/569454540.db2.gz XVGCQEXIADDRKW-UWJYYQICSA-N 0 0 426.557 3.939 50 70 biogenic IHIARN CCOc1ccc(S(=O)(=O)N(Cc2cc(C3CC3)n(C)n2)Cc2ccco2)cc1F ZINC000217898004 569454697 /nfs/dbraw/zinc/45/46/97/569454697.db2.gz ZANBNKQAUHYIHT-UHFFFAOYSA-N 0 0 433.505 3.819 50 70 IHIARN CC(C)(C)OC(=O)NC1CC[NH+]([C@@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1 ZINC000218516384 557204397 /nfs/dbraw/zinc/20/43/97/557204397.db2.gz IMXDYYMHTQBKQV-MRXNPFEDSA-N 0 0 447.536 3.714 50 70 IHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)C1(c2ccc(OC)cc2)CCOCC1 ZINC000218068615 568883781 /nfs/dbraw/zinc/88/37/81/568883781.db2.gz KSTURTZFBKVKRP-SFHVURJKSA-N 0 0 437.540 3.617 50 70 biogenic IHIARN CCOc1ccc2nc(NC(=O)Cn3nc(-n4ccc5ccccc54)ccc3=O)sc2c1 ZINC000217548883 569448518 /nfs/dbraw/zinc/44/85/18/569448518.db2.gz RQJXOIBAUUENEL-UHFFFAOYSA-N 0 0 445.504 3.834 50 70 IHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1ccccc1 ZINC000217623282 569450382 /nfs/dbraw/zinc/45/03/82/569450382.db2.gz IVRHNRPETWRYND-RUZDIDTESA-N 0 0 439.515 3.941 50 70 biogenic IHIARN COc1ccc(CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cc1 ZINC000217681466 569451578 /nfs/dbraw/zinc/45/15/78/569451578.db2.gz LUZLMYUFHWXOLG-DEOSSOPVSA-N 0 0 441.487 3.517 50 70 biogenic IHIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1ccccc1 ZINC000217812916 569453605 /nfs/dbraw/zinc/45/36/05/569453605.db2.gz HNEIKSYDLHUTKK-XMMPIXPASA-N 0 0 425.488 3.550 50 70 biogenic IHIARN Cc1ccccc1-c1noc(C[C@H]2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n1 ZINC000217835678 569453960 /nfs/dbraw/zinc/45/39/60/569453960.db2.gz FONBRGIHGWYBBA-OAHLLOKOSA-N 0 0 433.480 3.967 50 70 IHIARN Cc1nc(CC(=O)NC[C@@]2(C)C[C@H](NC(=O)Cc3csc(C)n3)CC(C)(C)C2)cs1 ZINC000216698680 557151452 /nfs/dbraw/zinc/15/14/52/557151452.db2.gz HPYKDISWCYIAQN-GCJKJVERSA-N 0 0 448.658 3.819 50 70 IHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H](CC(C)C)N1Cc2ccccc2C1=O ZINC000218349821 557194188 /nfs/dbraw/zinc/19/41/88/557194188.db2.gz PQSIOUSTVMLDKC-MBSDFSHPSA-N 0 0 448.567 3.931 50 70 IHIARN COc1ccc(CNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cc1 ZINC000217681383 569451544 /nfs/dbraw/zinc/45/15/44/569451544.db2.gz LUZLMYUFHWXOLG-XMMPIXPASA-N 0 0 441.487 3.517 50 70 biogenic IHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1ccccc1 ZINC000217847359 569454045 /nfs/dbraw/zinc/45/40/45/569454045.db2.gz ZSLCWDZMIQMVEP-DEOSSOPVSA-N 0 0 425.488 3.898 50 70 biogenic IHIARN O=S(=O)(Cc1cc(F)ccc1F)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000217855939 569454211 /nfs/dbraw/zinc/45/42/11/569454211.db2.gz IJCVBDGTVYBPRT-CYBMUJFWSA-N 0 0 439.509 3.861 50 70 IHIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(NC(=O)c2cccnc2)c1 ZINC000218401139 569457373 /nfs/dbraw/zinc/45/73/73/569457373.db2.gz DTKVUABCOHELJF-IBGZPJMESA-N 0 0 447.447 3.591 50 70 IHIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(NC(=O)c2cccnc2)c1 ZINC000218401058 569457385 /nfs/dbraw/zinc/45/73/85/569457385.db2.gz DTKVUABCOHELJF-LJQANCHMSA-N 0 0 447.447 3.591 50 70 IHIARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccncc2)o1 ZINC000217641004 569450683 /nfs/dbraw/zinc/45/06/83/569450683.db2.gz QEIXXOVHBOUQHM-LJQANCHMSA-N 0 0 429.476 3.637 50 70 biogenic IHIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(OC)c(OCc2ccccc2)c1 ZINC000217650588 569450812 /nfs/dbraw/zinc/45/08/12/569450812.db2.gz NLTYUCOMNUGHJC-KRWDZBQOSA-N 0 0 449.459 3.580 50 70 biogenic IHIARN Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217804663 569453530 /nfs/dbraw/zinc/45/35/30/569453530.db2.gz FURYAJHHCBWEGZ-OAHLLOKOSA-N 0 0 433.480 3.967 50 70 IHIARN COc1ccc([C@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)c(OC)c1 ZINC000217959320 569455319 /nfs/dbraw/zinc/45/53/19/569455319.db2.gz YFEGUWKKBBOUGR-HXUWFJFHSA-N 0 0 435.476 3.563 50 70 biogenic IHIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 ZINC000218558695 569458530 /nfs/dbraw/zinc/45/85/30/569458530.db2.gz WQOYGYUTASGJHS-INIZCTEOSA-N 0 0 429.394 3.963 50 70 IHIARN O=C(COc1coc(CN2CCCCC2)cc1=O)Nc1ccc(Br)cc1F ZINC000218261038 557185788 /nfs/dbraw/zinc/18/57/88/557185788.db2.gz AEONSCYHJFRLQP-UHFFFAOYSA-N 0 0 439.281 3.545 50 70 IHIARN COC(=O)CS[C@H]1CCN(S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000217569518 569448866 /nfs/dbraw/zinc/44/88/66/569448866.db2.gz ALEPFDLGUHWRCF-HNNXBMFYSA-N 0 0 441.958 3.802 50 70 IHIARN CC(C)[C@@H](CCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000217709183 569451978 /nfs/dbraw/zinc/45/19/78/569451978.db2.gz OKDLONHGQVOZQL-XLIONFOSSA-N 0 0 427.932 3.727 50 70 biogenic IHIARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cccnc2)o1 ZINC000217718072 569452136 /nfs/dbraw/zinc/45/21/36/569452136.db2.gz CMHBYYDHXBOBQZ-LJQANCHMSA-N 0 0 429.476 3.637 50 70 biogenic IHIARN Cc1cc(O[C@@H]2CCN(C(=O)CCc3ccc(Cl)c(C(F)(F)F)c3)C2)cc(=O)n1C ZINC000217772186 569453057 /nfs/dbraw/zinc/45/30/57/569453057.db2.gz CTCKRUFGRSJXDM-OAHLLOKOSA-N 0 0 442.865 3.978 50 70 IHIARN CCOc1ccccc1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217803864 569453571 /nfs/dbraw/zinc/45/35/71/569453571.db2.gz HEAJSJGLIXNZFR-MRXNPFEDSA-N 0 0 445.516 3.918 50 70 IHIARN COc1ccc([C@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)cc1OC ZINC000218121519 569456461 /nfs/dbraw/zinc/45/64/61/569456461.db2.gz KDGILIHQRFUPTP-LJQANCHMSA-N 0 0 435.476 3.563 50 70 biogenic IHIARN CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1)c1nc2ccccc2[nH]1 ZINC000218192395 557181372 /nfs/dbraw/zinc/18/13/72/557181372.db2.gz CPAFCIQBHFBLLZ-KUHUBIRLSA-N 0 0 448.502 3.835 50 70 IHIARN CSCC[C@H](NC(=O)CCCn1cnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000218265896 557186041 /nfs/dbraw/zinc/18/60/41/557186041.db2.gz GERAOCZJKBYOKV-FQEVSTJZSA-N 0 0 449.580 3.674 50 70 IHIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000218409017 557197670 /nfs/dbraw/zinc/19/76/70/557197670.db2.gz JWCHQENHEFZABG-SFHVURJKSA-N 0 0 436.420 3.789 50 70 IHIARN COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])[NH+]2CCCCCC2)c(OC)c1OC ZINC000218420782 557198353 /nfs/dbraw/zinc/19/83/53/557198353.db2.gz NHBMXBWRXOTTGG-MRXNPFEDSA-N 0 0 432.546 3.796 50 70 IHIARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc(O)cc1 ZINC000217647308 569450835 /nfs/dbraw/zinc/45/08/35/569450835.db2.gz LGPHQNISMKHRDH-LJQANCHMSA-N 0 0 436.508 3.798 50 70 biogenic IHIARN Cc1ccccc1-c1noc(C[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)n1 ZINC000217836026 569453939 /nfs/dbraw/zinc/45/39/39/569453939.db2.gz ZOSBPCQOTQXZJU-QGZVFWFLSA-N 0 0 439.537 3.623 50 70 IHIARN COc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4C)no3)C2)cc1F ZINC000217835782 569453943 /nfs/dbraw/zinc/45/39/43/569453943.db2.gz HWUATEXCIOBLJT-INIZCTEOSA-N 0 0 445.516 3.836 50 70 IHIARN Cc1nc(CC(=O)NC[C@]2(C)C[C@@H](NC(=O)Cc3csc(C)n3)CC(C)(C)C2)cs1 ZINC000216698639 557151543 /nfs/dbraw/zinc/15/15/43/557151543.db2.gz HPYKDISWCYIAQN-PGRDOPGGSA-N 0 0 448.658 3.819 50 70 IHIARN O=C(NCCc1nc(-c2ccc(Cl)cc2)cs1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000218135953 557178669 /nfs/dbraw/zinc/17/86/69/557178669.db2.gz XPPUIRLYPFKJBX-IBGZPJMESA-N 0 0 438.944 3.593 50 70 IHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1c(C)[nH]nc1-c1ccc(OC)cc1 ZINC000218439645 557199672 /nfs/dbraw/zinc/19/96/72/557199672.db2.gz RAOMFCIBPHMMGH-KRWDZBQOSA-N 0 0 447.539 3.810 50 70 IHIARN COc1ccc([C@@H](c2sc3ncnn3c2[O-])[N@H+](C)C2CCCCC2)c(OC)c1OC ZINC000218485956 557202574 /nfs/dbraw/zinc/20/25/74/557202574.db2.gz DTVJKSGJANEMOM-INIZCTEOSA-N 0 0 432.546 3.876 50 70 IHIARN COc1ccc(CCNC(=O)[C@@H](C)NC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1 ZINC000216662444 569431575 /nfs/dbraw/zinc/43/15/75/569431575.db2.gz UOALPARAMBKESE-MRXNPFEDSA-N 0 0 448.548 3.573 50 70 IHIARN COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000217559512 569448802 /nfs/dbraw/zinc/44/88/02/569448802.db2.gz XMRBJEHGPSSTLZ-HXUWFJFHSA-N 0 0 443.565 3.714 50 70 IHIARN O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217611203 569450026 /nfs/dbraw/zinc/45/00/26/569450026.db2.gz IBMKMQIBRWZYNN-UHFFFAOYSA-N 0 0 448.498 3.720 50 70 IHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1ccccc1 ZINC000217623376 569450392 /nfs/dbraw/zinc/45/03/92/569450392.db2.gz IVRHNRPETWRYND-VWLOTQADSA-N 0 0 439.515 3.941 50 70 biogenic IHIARN COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000217692559 569451882 /nfs/dbraw/zinc/45/18/82/569451882.db2.gz GENWOZCIUBSWHS-NRFANRHFSA-N 0 0 437.492 3.514 50 70 biogenic IHIARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2ccc(O)cc2)o1 ZINC000217750288 569452606 /nfs/dbraw/zinc/45/26/06/569452606.db2.gz NURQTJNLLLSSAG-FQEVSTJZSA-N 0 0 444.487 3.948 50 70 biogenic IHIARN COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cn1 ZINC000217908002 569454822 /nfs/dbraw/zinc/45/48/22/569454822.db2.gz UXHDAECKGMNZCR-QHCPKHFHSA-N 0 0 442.475 3.624 50 70 biogenic IHIARN COc1ccc([C@@H]2CC(=O)Oc3cc(C)n(CCc4ccc(O)cc4)c(=O)c32)c(OC)c1 ZINC000217959236 569455307 /nfs/dbraw/zinc/45/53/07/569455307.db2.gz YFEGUWKKBBOUGR-FQEVSTJZSA-N 0 0 435.476 3.563 50 70 biogenic IHIARN CC(C)[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C(C)C ZINC000217913228 557174686 /nfs/dbraw/zinc/17/46/86/557174686.db2.gz PDYVHKHRQFUFBX-KNQAVFIVSA-N 0 0 447.539 3.571 50 70 biogenic IHIARN CC(C)[C@H](NC(=O)CCCCCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2n1C ZINC000218138122 557179675 /nfs/dbraw/zinc/17/96/75/557179675.db2.gz RMMASRMFHJSMKL-QFIPXVFZSA-N 0 0 447.539 3.638 50 70 IHIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000218261981 557185730 /nfs/dbraw/zinc/18/57/30/557185730.db2.gz MYFALAQEHDCHHM-KRWDZBQOSA-N 0 0 434.452 3.607 50 70 IHIARN COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000218286286 557187812 /nfs/dbraw/zinc/18/78/12/557187812.db2.gz VIBCNWRHNKWSSN-QGZVFWFLSA-N 0 0 437.439 3.628 50 70 IHIARN COc1ccc(S(=O)(=O)N2CCC[C@H](Cc3nc(-c4ccccc4C)no3)C2)cc1F ZINC000217835850 569453945 /nfs/dbraw/zinc/45/39/45/569453945.db2.gz HWUATEXCIOBLJT-MRXNPFEDSA-N 0 0 445.516 3.836 50 70 IHIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2n[nH]c(C(C)C)n2)c1 ZINC000218245910 557184376 /nfs/dbraw/zinc/18/43/76/557184376.db2.gz XRFLKTCIZBVKGP-QGZVFWFLSA-N 0 0 436.468 3.853 50 70 IHIARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCC[C@H](c1ccco1)c1ccc(F)cc1 ZINC000218283213 557187636 /nfs/dbraw/zinc/18/76/36/557187636.db2.gz NEPABHQOYIEGJA-RXVVDRJESA-N 0 0 449.482 3.588 50 70 IHIARN CC(C)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C(C)C ZINC000218376805 557196253 /nfs/dbraw/zinc/19/62/53/557196253.db2.gz JZKUFBYSZOZQFQ-QFIPXVFZSA-N 0 0 432.528 3.626 50 70 IHIARN COCCn1cc(C(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c2ccccc2c1=O ZINC000218405777 557197093 /nfs/dbraw/zinc/19/70/93/557197093.db2.gz MDTJVTNDCNAFTF-QFIPXVFZSA-N 0 0 432.524 3.662 50 70 IHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1 ZINC000218174138 557180801 /nfs/dbraw/zinc/18/08/01/557180801.db2.gz CJOKAPFYUPGQDK-HNNXBMFYSA-N 0 0 449.511 3.581 50 70 IHIARN COC(=O)c1nc(NC(=O)CC2(n3cccc3)CCOCC2)sc1-c1ccccc1 ZINC000218220786 557182837 /nfs/dbraw/zinc/18/28/37/557182837.db2.gz HSZSQLCWRYJWSR-UHFFFAOYSA-N 0 0 425.510 3.933 50 70 IHIARN C[C@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2s1 ZINC000217520299 569447847 /nfs/dbraw/zinc/44/78/47/569447847.db2.gz GZXLMHWTFHUWHC-IBGZPJMESA-N 0 0 438.427 3.762 50 70 IHIARN C[C@](O)(CNS(=O)(=O)c1ccccc1OC(F)(F)F)c1cc2ccccc2s1 ZINC000217515382 569447849 /nfs/dbraw/zinc/44/78/49/569447849.db2.gz PMFBPOZNKLNMQR-KRWDZBQOSA-N 0 0 431.457 3.986 50 70 IHIARN COc1cc2c(cc1OC)CN(C(=O)[C@H](Cc1ccccc1)Nc1nc(C)cc(C)n1)CC2 ZINC000218309844 557191966 /nfs/dbraw/zinc/19/19/66/557191966.db2.gz RJSJYDDUABHYGY-QFIPXVFZSA-N 0 0 446.551 3.719 50 70 IHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)CC1(n2cccc2)CCSCC1 ZINC000218405463 557197146 /nfs/dbraw/zinc/19/71/46/557197146.db2.gz CIRYZFOAXMXSDQ-SFHVURJKSA-N 0 0 426.586 3.974 50 70 IHIARN COC(=O)CS[C@H]1CCN(C(=O)CCc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000217559428 569448773 /nfs/dbraw/zinc/44/87/73/569448773.db2.gz XMRBJEHGPSSTLZ-FQEVSTJZSA-N 0 0 443.565 3.714 50 70 IHIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1ccco1 ZINC000217661544 569451166 /nfs/dbraw/zinc/45/11/66/569451166.db2.gz AITWPHSMZNNJCG-QHCPKHFHSA-N 0 0 429.476 3.534 50 70 biogenic IHIARN O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217794648 569453379 /nfs/dbraw/zinc/45/33/79/569453379.db2.gz HMYVWBRINCXTTF-INIZCTEOSA-N 0 0 432.459 3.551 50 70 IHIARN COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccco2)o1 ZINC000217810716 569453567 /nfs/dbraw/zinc/45/35/67/569453567.db2.gz JEVAVQBTTKOBIB-SFHVURJKSA-N 0 0 448.475 3.673 50 70 biogenic IHIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O ZINC000218308556 568741603 /nfs/dbraw/zinc/74/16/03/568741603.db2.gz WPZSRZATXSVFMF-JTSKRJEESA-N 0 0 434.540 3.541 50 70 IHIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(OC)c(OCc2ccccc2)c1 ZINC000217650506 569450821 /nfs/dbraw/zinc/45/08/21/569450821.db2.gz NLTYUCOMNUGHJC-QGZVFWFLSA-N 0 0 449.459 3.580 50 70 biogenic IHIARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc(O)cc1 ZINC000217647384 569450828 /nfs/dbraw/zinc/45/08/28/569450828.db2.gz LGPHQNISMKHRDH-IBGZPJMESA-N 0 0 436.508 3.798 50 70 biogenic IHIARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCC(=O)c1ccccc1)C(=O)OC2 ZINC000217669572 569451196 /nfs/dbraw/zinc/45/11/96/569451196.db2.gz XWYXZSNPUAXWLG-OQLLNIDSSA-N 0 0 437.492 3.648 50 70 biogenic IHIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000217788986 569453242 /nfs/dbraw/zinc/45/32/42/569453242.db2.gz UCTHRWROIRBKGX-LJQANCHMSA-N 0 0 433.460 3.614 50 70 biogenic IHIARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)NCc3ccc4c(c3)OCO4)C2)n1 ZINC000217833993 569453919 /nfs/dbraw/zinc/45/39/19/569453919.db2.gz LZFVHHFELGCHNA-GOSISDBHSA-N 0 0 434.496 3.938 50 70 IHIARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cccc(O)c2)o1 ZINC000217852893 569454176 /nfs/dbraw/zinc/45/41/76/569454176.db2.gz MBVZFTWBDIZPPW-HXUWFJFHSA-N 0 0 444.487 3.948 50 70 biogenic IHIARN O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)C1(c2ccccc2)CCOCC1 ZINC000217645641 569450771 /nfs/dbraw/zinc/45/07/71/569450771.db2.gz ZJSAYZBEXIDCER-UHFFFAOYSA-N 0 0 441.491 3.804 50 70 IHIARN O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217836967 569453953 /nfs/dbraw/zinc/45/39/53/569453953.db2.gz CAYAXTMROCXWLV-HNNXBMFYSA-N 0 0 432.509 3.745 50 70 IHIARN COC(=O)[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000217884317 569454601 /nfs/dbraw/zinc/45/46/01/569454601.db2.gz XVGCQEXIADDRKW-LAUBAEHRSA-N 0 0 426.557 3.939 50 70 biogenic IHIARN COc1cc2c(cc1OC)CN(C(=O)[C@@H](Cc1ccccc1)Nc1nc(C)cc(C)n1)CC2 ZINC000218309893 557192086 /nfs/dbraw/zinc/19/20/86/557192086.db2.gz RJSJYDDUABHYGY-JOCHJYFZSA-N 0 0 446.551 3.719 50 70 IHIARN COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000217692477 569451915 /nfs/dbraw/zinc/45/19/15/569451915.db2.gz GENWOZCIUBSWHS-OAQYLSRUSA-N 0 0 437.492 3.514 50 70 biogenic IHIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1nc2c(s1)CCC2 ZINC000217851403 569454043 /nfs/dbraw/zinc/45/40/43/569454043.db2.gz ICPCPLZVSXKVRH-OAQYLSRUSA-N 0 0 444.516 3.775 50 70 biogenic IHIARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cccc(O)c2)o1 ZINC000217852816 569454209 /nfs/dbraw/zinc/45/42/09/569454209.db2.gz MBVZFTWBDIZPPW-FQEVSTJZSA-N 0 0 444.487 3.948 50 70 biogenic IHIARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](CC(C)C)c1nnc2ccccn21 ZINC000217897145 569454676 /nfs/dbraw/zinc/45/46/76/569454676.db2.gz RJEJOZVRSWSZQE-IBGZPJMESA-N 0 0 448.523 3.989 50 70 biogenic IHIARN Cn1nc(CN(Cc2ccco2)C(=O)COc2cccc3c2OC(C)(C)C3)c2c1CCC2 ZINC000217901737 569454733 /nfs/dbraw/zinc/45/47/33/569454733.db2.gz FCQIQZZEXNJFBM-UHFFFAOYSA-N 0 0 435.524 3.823 50 70 IHIARN CC(C)S(=O)(=O)c1ccc(CC(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)cc1 ZINC000217911207 569454858 /nfs/dbraw/zinc/45/48/58/569454858.db2.gz LXVQKYXZNQKSJS-UHFFFAOYSA-N 0 0 443.613 3.605 50 70 IHIARN O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccc2[nH]cnc2c1 ZINC000217932203 569455060 /nfs/dbraw/zinc/45/50/60/569455060.db2.gz PGKUKIIEGSBSDK-HSZRJFAPSA-N 0 0 437.459 3.707 50 70 biogenic IHIARN Cc1nc(CC(=O)NC[C@@]2(C)C[C@@H](NC(=O)Cc3csc(C)n3)CC(C)(C)C2)cs1 ZINC000216698590 557151567 /nfs/dbraw/zinc/15/15/67/557151567.db2.gz HPYKDISWCYIAQN-AVRDEDQJSA-N 0 0 448.658 3.819 50 70 IHIARN CC(C)Cn1nc(CC(=O)N[C@H](c2nc3ccccc3n2C)C(C)C)c2ccccc2c1=O ZINC000218346340 557193783 /nfs/dbraw/zinc/19/37/83/557193783.db2.gz LKLQUQOKCFJKGH-DEOSSOPVSA-N 0 0 445.567 3.995 50 70 IHIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O2 ZINC000217987068 568940192 /nfs/dbraw/zinc/94/01/92/568940192.db2.gz HQCGIBZAZGGGIY-KRWDZBQOSA-N 0 0 425.868 3.905 50 70 biogenic IHIARN COC(=O)C[C@H](c1ccccc1OC)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000217624524 569450398 /nfs/dbraw/zinc/45/03/98/569450398.db2.gz PZVPWBQUDZTBCZ-HXUWFJFHSA-N 0 0 437.492 3.514 50 70 biogenic IHIARN COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccco2)o1 ZINC000217810636 569453537 /nfs/dbraw/zinc/45/35/37/569453537.db2.gz JEVAVQBTTKOBIB-GOSISDBHSA-N 0 0 448.475 3.673 50 70 biogenic IHIARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217845333 569453991 /nfs/dbraw/zinc/45/39/91/569453991.db2.gz IKIQAJYPMPKSHW-ZDUSSCGKSA-N 0 0 433.390 3.520 50 70 IHIARN