smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(COc1ccccc1)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000217556375 241258622 /nfs/dbraw/zinc/25/86/22/241258622.db2.gz SZLXMXYVTXUUSC-FQEVSTJZSA-N 0 0 337.375 2.754 50 70 EFIARN O=C(NC[C@@H]1CCCN1c1nccs1)c1ccc2nsnc2c1 ZINC000217595432 241262103 /nfs/dbraw/zinc/26/21/03/241262103.db2.gz SZSHDOMMUNTSNS-NSHDSACASA-N 0 0 345.453 2.547 50 70 EFIARN CN(CCc1ncon1)C(=O)C[C@@H](c1ccco1)c1ccccc1 ZINC000217633842 241265663 /nfs/dbraw/zinc/26/56/63/241265663.db2.gz VYFJPQCMSNKYHC-OAHLLOKOSA-N 0 0 325.368 2.886 50 70 EFIARN COc1ccccc1[C@H]1CCCN1C(=O)CN(C)Cc1cccnc1 ZINC000217694670 241267870 /nfs/dbraw/zinc/26/78/70/241267870.db2.gz WTNAEVPEYCZBJS-GOSISDBHSA-N 0 0 339.439 2.886 50 70 EFIARN COC(=O)[C@@H](NC(=O)CCn1cc(C(C)=O)c2ccccc21)C(C)C ZINC000217712714 241269226 /nfs/dbraw/zinc/26/92/26/241269226.db2.gz NUSIEVURTBVGOB-SFHVURJKSA-N 0 0 344.411 2.548 50 70 biogenic EFIARN CC(C)(C)c1ccc(C(=O)N2CC(N3C(=O)CSC3=O)C2)cc1 ZINC000217746965 241272696 /nfs/dbraw/zinc/27/26/96/241272696.db2.gz KNQFUKYVKUTRSL-UHFFFAOYSA-N 0 0 332.425 2.504 50 70 EFIARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cccc(-c3ccco3)c1)CC2 ZINC000217009217 241229330 /nfs/dbraw/zinc/22/93/30/241229330.db2.gz HVRJIXIRQSVMTH-UHFFFAOYSA-N 0 0 349.390 2.579 50 70 EFIARN Cc1cc(=O)cc(C(=O)N(C)Cc2cnn(-c3ccccc3C)c2)o1 ZINC000217027268 241233287 /nfs/dbraw/zinc/23/32/87/241233287.db2.gz KVYSVRMGLYCGGI-UHFFFAOYSA-N 0 0 337.379 2.715 50 70 EFIARN O=C(c1ccc(F)cc1Cl)N1CCC[C@@]2(CNC(=O)O2)CC1 ZINC000217185103 241239640 /nfs/dbraw/zinc/23/96/40/241239640.db2.gz ILDCLSCDMZBOTP-HNNXBMFYSA-N 0 0 326.755 2.584 50 70 EFIARN Cc1nc(N)sc1C(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000217197815 241242352 /nfs/dbraw/zinc/24/23/52/241242352.db2.gz BVOJUMATFVWZNB-UHFFFAOYSA-N 0 0 335.820 2.836 50 70 EFIARN Cc1ncccc1CN1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000217418938 241249083 /nfs/dbraw/zinc/24/90/83/241249083.db2.gz OAZYICMPTLMFOS-FQEVSTJZSA-N 0 0 334.423 2.684 50 70 EFIARN O=C(c1csc2c1CCCC2)N1CCCO[C@H](Cn2cccn2)C1 ZINC000217480960 241252137 /nfs/dbraw/zinc/25/21/37/241252137.db2.gz LUIZTLZEPYWTEU-AWEZNQCLSA-N 0 0 345.468 2.755 50 70 EFIARN O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccccc1Cl ZINC000217535982 241256815 /nfs/dbraw/zinc/25/68/15/241256815.db2.gz IRTOEUIHPRUWFM-LBPRGKRZSA-N 0 0 331.846 2.804 50 70 EFIARN CCc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)s1 ZINC000217535872 241257235 /nfs/dbraw/zinc/25/72/35/241257235.db2.gz HXAMCXRSAQIOEL-GFCCVEGCSA-N 0 0 331.484 2.774 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)CCSc2ccccc2)C1 ZINC000217555759 241258334 /nfs/dbraw/zinc/25/83/34/241258334.db2.gz VQDQNJGNISYCPH-AWEZNQCLSA-N 0 0 339.482 2.676 50 70 EFIARN Cn1cc([C@@H](NC(=O)c2csc3c2CCCC3)C2CC(O)C2)cn1 ZINC000218406917 241319019 /nfs/dbraw/zinc/31/90/19/241319019.db2.gz XOJVKWLUDYXAOD-YUNLISADSA-N 0 0 345.468 2.602 50 70 EFIARN CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(Cl)c(F)c1 ZINC000218413459 241322085 /nfs/dbraw/zinc/32/20/85/241322085.db2.gz KPLRJPCDNDHMNS-AWEZNQCLSA-N 0 0 326.799 2.952 50 70 EFIARN Cc1nc(-c2ccc(CNC(=O)[C@@H]3Cc4ccccc4O3)cc2)no1 ZINC000218416236 241322477 /nfs/dbraw/zinc/32/24/77/241322477.db2.gz HOJXSOZJJWRCRG-KRWDZBQOSA-N 0 0 335.363 2.665 50 70 EFIARN Cc1nc(-c2ccc(CNC(=O)[C@H]3Cc4ccccc4O3)cc2)no1 ZINC000218416310 241322783 /nfs/dbraw/zinc/32/27/83/241322783.db2.gz HOJXSOZJJWRCRG-QGZVFWFLSA-N 0 0 335.363 2.665 50 70 EFIARN Nc1n[nH]c(C(=O)N2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1Cl ZINC000217843940 241279424 /nfs/dbraw/zinc/27/94/24/241279424.db2.gz NKLSOXWMLIDXME-SNVBAGLBSA-N 0 0 348.769 2.638 50 70 EFIARN Cc1[nH]c2c(cccc2C(=O)N2CCCn3nc(CO)cc3C2)c1C ZINC000217935398 241286673 /nfs/dbraw/zinc/28/66/73/241286673.db2.gz KVOMJCHFCMIMIB-UHFFFAOYSA-N 0 0 338.411 2.520 50 70 EFIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccc(F)c(F)c1 ZINC000218006941 241289345 /nfs/dbraw/zinc/28/93/45/241289345.db2.gz WROZHJHNAIJPDU-LJQANCHMSA-N 0 0 347.361 2.927 50 70 EFIARN C[C@@](O)(CNS(=O)(=O)Cc1ccccc1)c1cc2ccccc2o1 ZINC000217996910 241289867 /nfs/dbraw/zinc/28/98/67/241289867.db2.gz QSFPAQDMRNIKJW-GOSISDBHSA-N 0 0 345.420 2.760 50 70 EFIARN O=C(Cc1ccccc1Cl)N[C@H]1CCOC[C@H]1C1CCOCC1 ZINC000218102301 241298779 /nfs/dbraw/zinc/29/87/79/241298779.db2.gz OMLYRMNHWSMXSK-RDJZCZTQSA-N 0 0 337.847 2.830 50 70 EFIARN COc1ccc(C2(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2)cc1 ZINC000218126321 241300100 /nfs/dbraw/zinc/30/01/00/241300100.db2.gz OVZZKZMJPKPYGG-JXFKEZNVSA-N 0 0 329.440 2.880 50 70 EFIARN Cc1[nH]c2c(c1C(=O)NCCc1nc3c(s1)CCC3)C(=O)CCC2 ZINC000218151398 241302346 /nfs/dbraw/zinc/30/23/46/241302346.db2.gz ITALHVVGNQQDBI-UHFFFAOYSA-N 0 0 343.452 2.760 50 70 EFIARN CC[C@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccc(C)n1 ZINC000218231009 241307684 /nfs/dbraw/zinc/30/76/84/241307684.db2.gz PLKKKFKNODQJMP-KRWDZBQOSA-N 0 0 345.487 2.992 50 70 EFIARN COC(=O)c1sccc1Nc1c(=O)c(=O)c1NC1CCCCC1 ZINC000218225740 241307730 /nfs/dbraw/zinc/30/77/30/241307730.db2.gz SIWOWKYFNDRKQQ-UHFFFAOYSA-N 0 0 334.397 2.619 50 70 EFIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc2nsnc2c1 ZINC000218223164 241308104 /nfs/dbraw/zinc/30/81/04/241308104.db2.gz JAQZWVDTVMCZBT-UHFFFAOYSA-N 0 0 343.412 2.567 50 70 EFIARN Cc1c[nH]c(CNC(=O)CCC(=O)c2ccc(F)cc2)c(C)c1=O ZINC000218257297 241309089 /nfs/dbraw/zinc/30/90/89/241309089.db2.gz KJPDUIKBYHHQHS-UHFFFAOYSA-N 0 0 330.359 2.822 50 70 EFIARN Cc1nn(CCC(=O)N2CCN(C)[C@@H](c3ccccc3)C2)c(C)c1C ZINC000218276288 241309892 /nfs/dbraw/zinc/30/98/92/241309892.db2.gz HUBCEPLTHJZRFK-LJQANCHMSA-N 0 0 340.471 2.714 50 70 EFIARN Clc1ncn(Cc2nn3c(nnc3-c3ccco3)s2)c1Cl ZINC000218282543 241309954 /nfs/dbraw/zinc/30/99/54/241309954.db2.gz WDKKNOOWSNOAAH-UHFFFAOYSA-N 0 0 341.183 2.997 50 70 EFIARN Cc1cc(C(=O)N2CCC(OCc3ccccn3)CC2)c(C)n1C ZINC000218316872 241313361 /nfs/dbraw/zinc/31/33/61/241313361.db2.gz LMTLAAMZOZFPFL-UHFFFAOYSA-N 0 0 327.428 2.858 50 70 EFIARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2cc[nH]c2c1 ZINC000218535449 241331231 /nfs/dbraw/zinc/33/12/31/241331231.db2.gz APQVDUVIQHDGFM-UHFFFAOYSA-N 0 0 332.363 2.976 50 70 EFIARN Cc1cc(CNC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)[nH]n1 ZINC000218574724 241332082 /nfs/dbraw/zinc/33/20/82/241332082.db2.gz AEQBLZCGVIMQQM-KRWDZBQOSA-N 0 0 330.407 2.701 50 70 EFIARN O=C(N[C@H](Cc1ccncc1)C1CC(O)C1)c1ccc2ncccc2c1 ZINC000218588957 241332579 /nfs/dbraw/zinc/33/25/79/241332579.db2.gz TXTJINRBUYZJQV-AFMYVXGZSA-N 0 0 347.418 2.742 50 70 EFIARN O=C(NCc1csc(Cc2ccccc2)n1)[C@H]1CCC[C@@H](O)C1 ZINC000218587118 241333182 /nfs/dbraw/zinc/33/31/82/241333182.db2.gz PIFDBRIRIGOLGG-GOEBONIOSA-N 0 0 330.453 2.901 50 70 EFIARN O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1ccn(C(F)F)n1 ZINC000218619965 241334975 /nfs/dbraw/zinc/33/49/75/241334975.db2.gz RKOJVSPRNOGGRD-AWEZNQCLSA-N 0 0 331.326 2.646 50 70 EFIARN CCOc1ncccc1C(=O)N[C@@H](C)c1nncn1C1CCCC1 ZINC000218622461 241335734 /nfs/dbraw/zinc/33/57/34/241335734.db2.gz OZHUCVXPPCXBDU-LBPRGKRZSA-N 0 0 329.404 2.678 50 70 EFIARN O=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000218665527 241336974 /nfs/dbraw/zinc/33/69/74/241336974.db2.gz ZNCMXBUTBKSQSP-IAGOWNOFSA-N 0 0 331.437 2.781 50 70 EFIARN COCCc1noc([C@H](C)NC(=O)c2ccc(Cl)cc2F)n1 ZINC000218642346 241337451 /nfs/dbraw/zinc/33/74/51/241337451.db2.gz NZYNQDMMPYRSEN-QMMMGPOBSA-N 0 0 327.743 2.542 50 70 EFIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1ccc(F)cc1F)C2 ZINC000218717763 241342199 /nfs/dbraw/zinc/34/21/99/241342199.db2.gz ZWIFPGVVYARXKR-LBPRGKRZSA-N 0 0 349.381 2.580 50 70 EFIARN CC(=O)c1ccc2c(c1O)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000217841146 275506173 /nfs/dbraw/zinc/50/61/73/275506173.db2.gz POJKCJZQSADZHM-CYBMUJFWSA-N 0 0 349.342 2.877 50 70 biogenic EFIARN CC(=O)c1ccc2c(c1O)[C@H](c1ccc3nccnc3c1)CC(=O)O2 ZINC000218195231 277114395 /nfs/dbraw/zinc/11/43/95/277114395.db2.gz CYMDFBVWMPROGB-ZDUSSCGKSA-N 0 0 334.331 2.979 50 70 EFIARN COc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1OC ZINC000217898856 277426981 /nfs/dbraw/zinc/42/69/81/277426981.db2.gz GJVCIDUDFMWGFC-NSHDSACASA-N 0 0 328.320 2.874 50 70 biogenic EFIARN COc1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1O ZINC000217708172 474144003 /nfs/dbraw/zinc/14/40/03/474144003.db2.gz IILVQZXDTXLFGF-LBPRGKRZSA-N 0 0 338.315 2.948 50 70 biogenic EFIARN CC(C)c1nccn1CCCNC(=O)[C@H]1CCc2ccccc2O1 ZINC000218746317 534916796 /nfs/dbraw/zinc/91/67/96/534916796.db2.gz CVCPQPFFFYCXCH-QGZVFWFLSA-N 0 0 327.428 2.907 50 70 EFIARN CCCn1cc(C(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c(C)n1 ZINC000218034407 535606866 /nfs/dbraw/zinc/60/68/66/535606866.db2.gz OZISZSOGNQLPMQ-HPBDAGMYSA-N 0 0 331.460 2.925 50 70 EFIARN CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000217621057 536460733 /nfs/dbraw/zinc/46/07/33/536460733.db2.gz RHGDSSRDCKYLLI-UHFFFAOYSA-N 0 0 333.750 2.921 50 70 EFIARN COc1ccc(C(=O)NC[C@H](O)c2cn(C)c3ccccc23)cc1F ZINC000217575464 536748330 /nfs/dbraw/zinc/74/83/30/536748330.db2.gz YQHHWASPXHEWDN-KRWDZBQOSA-N 0 0 342.370 2.789 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000217564840 241258701 /nfs/dbraw/zinc/25/87/01/241258701.db2.gz WWDWLERDDOAFPM-MRXNPFEDSA-N 0 0 343.448 2.889 50 70 EFIARN O=C(CCc1cc(Cl)no1)NCC[C@@H]1COc2ccccc2O1 ZINC000217568288 241261557 /nfs/dbraw/zinc/26/15/57/241261557.db2.gz NKPOUWGHJGNZNS-GFCCVEGCSA-N 0 0 336.775 2.607 50 70 EFIARN CC(=O)c1c(C)nn(CC(=O)N2CCCC[C@H]2c2ccccn2)c1C ZINC000216909387 241219586 /nfs/dbraw/zinc/21/95/86/241219586.db2.gz VTGAJFDRMJJRGS-KRWDZBQOSA-N 0 0 340.427 2.851 50 70 EFIARN CC(=O)c1c(C)nn(CC(=O)N2CCCC[C@@H]2c2ccccn2)c1C ZINC000216909355 241220345 /nfs/dbraw/zinc/22/03/45/241220345.db2.gz VTGAJFDRMJJRGS-QGZVFWFLSA-N 0 0 340.427 2.851 50 70 EFIARN Cc1cc(CN(C)C(=O)Cc2cc3c(cc2Cl)OCCO3)on1 ZINC000216942048 241226041 /nfs/dbraw/zinc/22/60/41/241226041.db2.gz ZIPROXGNHNWPEY-UHFFFAOYSA-N 0 0 336.775 2.609 50 70 EFIARN COc1ccc2[nH]c(C(=O)N3CCC[C@H]3c3nnc(C)[nH]3)cc2c1 ZINC000216969422 241228652 /nfs/dbraw/zinc/22/86/52/241228652.db2.gz ZJLYTQGLNHMPGO-HNNXBMFYSA-N 0 0 325.372 2.580 50 70 EFIARN CN1C(=O)C[C@@H](CNC(=O)c2cccc(F)c2F)c2ccccc21 ZINC000216971119 241229977 /nfs/dbraw/zinc/22/99/77/241229977.db2.gz FZNTZNRAZWNMFA-NSHDSACASA-N 0 0 330.334 2.845 50 70 EFIARN CC[C@H](O)c1cc2n(n1)CCCN(C(=O)CCc1ccsc1)C2 ZINC000217036158 241233161 /nfs/dbraw/zinc/23/31/61/241233161.db2.gz MBQPVTDDKZUBJK-INIZCTEOSA-N 0 0 333.457 2.753 50 70 EFIARN Cn1ccnc1CNC(=O)c1ccccc1OCCc1ccccc1 ZINC000217179515 241239465 /nfs/dbraw/zinc/23/94/65/241239465.db2.gz GLOGHGXEKRJLOG-UHFFFAOYSA-N 0 0 335.407 2.972 50 70 EFIARN COCCn1ccnc1CN1CCN(c2ccc(C)cc2)C[C@@H]1C ZINC000217186452 241242163 /nfs/dbraw/zinc/24/21/63/241242163.db2.gz BZTYQJMYVWLYNB-KRWDZBQOSA-N 0 0 328.460 2.549 50 70 EFIARN Cc1ccccc1OC[C@@H]1CCCN(C(=O)Cc2cnccn2)C1 ZINC000217486126 241252145 /nfs/dbraw/zinc/25/21/45/241252145.db2.gz BAEJVIVQGJIDNN-MRXNPFEDSA-N 0 0 325.412 2.645 50 70 EFIARN Cc1ccccc1OC[C@H]1CCCN(C(=O)Cc2cnccn2)C1 ZINC000217486190 241252289 /nfs/dbraw/zinc/25/22/89/241252289.db2.gz BAEJVIVQGJIDNN-INIZCTEOSA-N 0 0 325.412 2.645 50 70 EFIARN O=S(=O)(NCC[C@@H](O)c1ccsc1)c1ccc(F)c(Cl)c1 ZINC000217537790 241257789 /nfs/dbraw/zinc/25/77/89/241257789.db2.gz RMMCHMAQZBNAPM-CYBMUJFWSA-N 0 0 349.836 2.943 50 70 EFIARN CSCc1ccc(C(=O)NCCc2nc(-c3ccccn3)no2)o1 ZINC000218403023 241319239 /nfs/dbraw/zinc/31/92/39/241319239.db2.gz MFRXUJBVPOMSRG-UHFFFAOYSA-N 0 0 344.396 2.560 50 70 EFIARN Cc1cnn([C@@H](C)C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000218488191 241326126 /nfs/dbraw/zinc/32/61/26/241326126.db2.gz WTJHDALVJFQXBS-NSHDSACASA-N 0 0 331.807 2.641 50 70 EFIARN COc1cccc2c1ccn2CCNC(=O)Cn1c(C)ccc1C ZINC000218500604 241326293 /nfs/dbraw/zinc/32/62/93/241326293.db2.gz RTHLYDAEPIVSHL-UHFFFAOYSA-N 0 0 325.412 2.885 50 70 EFIARN COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1cc2c(cc1O)OCO2 ZINC000217953526 241286080 /nfs/dbraw/zinc/28/60/80/241286080.db2.gz DFBOMFGOQIMIRZ-LLVKDONJSA-N 0 0 346.335 2.530 50 70 biogenic EFIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccc(F)c(F)c1 ZINC000218006872 241289390 /nfs/dbraw/zinc/28/93/90/241289390.db2.gz WROZHJHNAIJPDU-IBGZPJMESA-N 0 0 347.361 2.927 50 70 EFIARN C[C@@](O)(CNC(=O)COc1ccccc1F)c1cc2ccccc2o1 ZINC000217987644 241290262 /nfs/dbraw/zinc/29/02/62/241290262.db2.gz IXJPCPBJPDFJFN-LJQANCHMSA-N 0 0 343.354 2.975 50 70 EFIARN C[C@](O)(CNC(=O)c1noc2c1CCCC2)c1cc2ccccc2o1 ZINC000217995778 241290821 /nfs/dbraw/zinc/29/08/21/241290821.db2.gz ONBIEMAZBWWVFE-IBGZPJMESA-N 0 0 340.379 2.937 50 70 EFIARN COCc1nnc(NC(=O)CCn2ccc3cccc(OC)c32)s1 ZINC000218221320 241305537 /nfs/dbraw/zinc/30/55/37/241305537.db2.gz QQXVCYWBOTXRKA-UHFFFAOYSA-N 0 0 346.412 2.677 50 70 EFIARN C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1nc2c(s1)CCCC2 ZINC000218219564 241306021 /nfs/dbraw/zinc/30/60/21/241306021.db2.gz BPPOFAFDGHFDIY-SNVBAGLBSA-N 0 0 343.452 2.690 50 70 EFIARN COC(=O)c1nc(NC(=O)c2cnc3ccccc3c2O)sc1C ZINC000218251466 241308164 /nfs/dbraw/zinc/30/81/64/241308164.db2.gz PRRROYFMNMOPKV-UHFFFAOYSA-N 0 0 343.364 2.744 50 70 EFIARN COC[C@@H]1[C@H](NC(=O)c2cc(C(F)(F)F)ccc2C)[C@@H]2CCO[C@H]12 ZINC000218276524 241311063 /nfs/dbraw/zinc/31/10/63/241311063.db2.gz PODXNCTYBYERPZ-MYPMTAMASA-N 0 0 343.345 2.794 50 70 EFIARN CC(C)c1nc2ccccc2n1CCNC(=O)[C@H]1CC(=O)OC1(C)C ZINC000218337044 241315474 /nfs/dbraw/zinc/31/54/74/241315474.db2.gz JTVUEYPQBNNJHD-CYBMUJFWSA-N 0 0 343.427 2.618 50 70 EFIARN COC(=O)[C@H](CC(C)C)NC(=O)c1sc(-n2cccc2)nc1C ZINC000218363809 241317197 /nfs/dbraw/zinc/31/71/97/241317197.db2.gz MKMMJNUQHPOFNW-LBPRGKRZSA-N 0 0 335.429 2.560 50 70 EFIARN CCNc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc(C)no2)s1 ZINC000218361425 241317984 /nfs/dbraw/zinc/31/79/84/241317984.db2.gz CVFIATWHTRPUIY-NSHDSACASA-N 0 0 335.433 2.942 50 70 EFIARN CC(C)Cc1nnc(NC(=O)c2cccc(Nc3ncccn3)c2)[nH]1 ZINC000218375977 241318023 /nfs/dbraw/zinc/31/80/23/241318023.db2.gz MWUUVVKRJOVEPR-UHFFFAOYSA-N 0 0 337.387 2.789 50 70 EFIARN O=C(NCCn1ccc2ccccc21)c1cc(-c2ccccn2)n[nH]1 ZINC000218546663 241331389 /nfs/dbraw/zinc/33/13/89/241331389.db2.gz LCOSPPBMTYIYMR-UHFFFAOYSA-N 0 0 331.379 2.856 50 70 EFIARN COC(=O)C[C@H](c1cccc(O)c1)c1c2[nH]snc-2ccc1=O ZINC000218606688 241335320 /nfs/dbraw/zinc/33/53/20/241335320.db2.gz YWZYPZXHYTWDDM-LLVKDONJSA-N 0 0 330.365 2.798 50 70 EFIARN Cc1nc(CCNC(=O)[C@@H](O)c2ccc(F)cc2)sc1Cl ZINC000218742134 241342023 /nfs/dbraw/zinc/34/20/23/241342023.db2.gz SZDXDTJAWXKSTL-LBPRGKRZSA-N 0 0 328.796 2.636 50 70 EFIARN c1ccc2c(c1)OC[C@H](CCc1ccc(N3CCSCC3)nn1)O2 ZINC000218747507 241343208 /nfs/dbraw/zinc/34/32/08/241343208.db2.gz AIDYNKHXFOKJRH-HNNXBMFYSA-N 0 0 343.452 2.802 50 70 EFIARN O=C(Cc1ccc(F)cc1Cl)NCc1noc([C@@H]2CCCO2)n1 ZINC000218764697 241344618 /nfs/dbraw/zinc/34/46/18/241344618.db2.gz WDQSAVDPXWWMID-LBPRGKRZSA-N 0 0 339.754 2.573 50 70 EFIARN COc1cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc2c1OCO2 ZINC000217721952 286245796 /nfs/dbraw/zinc/24/57/96/286245796.db2.gz SEFPHEUEPMVSHD-JTQLQIEISA-N 0 0 342.303 2.594 50 70 biogenic EFIARN CC(=O)c1ccc2c(c1O)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000217629984 277114545 /nfs/dbraw/zinc/11/45/45/277114545.db2.gz SVDUSABGCTUHRC-LBPRGKRZSA-N 0 0 326.304 2.765 50 70 biogenic EFIARN Cn1nc(C(F)(F)F)c2cc(C(=O)N[C@@H]3C[C@@H]4OCC[C@H]34)sc21 ZINC000217740817 474143683 /nfs/dbraw/zinc/14/36/83/474143683.db2.gz BOAATYRPJMQATQ-VDAHYXPESA-N 0 0 345.346 2.561 50 70 EFIARN CC(C)[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1 ZINC000218281761 474144959 /nfs/dbraw/zinc/14/49/59/474144959.db2.gz FYVYUIDNXAOPDC-MFKMUULPSA-N 0 0 339.461 2.689 50 70 EFIARN O=C(Nc1cnn(CC2CCOCC2)c1)Nc1ccc2c(c1)OCO2 ZINC000218234912 474145293 /nfs/dbraw/zinc/14/52/93/474145293.db2.gz ONEZZXJPKVHBRV-UHFFFAOYSA-N 0 0 344.371 2.682 50 70 EFIARN CC(C)Oc1ccc(-c2cc(C(=O)N[C@H](CO)C(C)C)[nH]n2)cc1 ZINC000218378351 534966095 /nfs/dbraw/zinc/96/60/95/534966095.db2.gz RBELKNCOBTUVCG-QGZVFWFLSA-N 0 0 331.416 2.611 50 70 EFIARN COc1ccc(C(=O)N2CCC(c3ccnc(C)n3)CC2)cc1F ZINC000217087896 536711870 /nfs/dbraw/zinc/71/18/70/536711870.db2.gz DEKXTHBIWNUUOV-UHFFFAOYSA-N 0 0 329.375 2.953 50 70 EFIARN CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(Cl)c(F)c1 ZINC000218413374 534943289 /nfs/dbraw/zinc/94/32/89/534943289.db2.gz KPLRJPCDNDHMNS-CQSZACIVSA-N 0 0 326.799 2.952 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000217563252 241259039 /nfs/dbraw/zinc/25/90/39/241259039.db2.gz ARCBUVHURSAQAG-INIZCTEOSA-N 0 0 344.436 2.598 50 70 EFIARN CCOc1cc2c(cc1CN1CCCn3nc(CO)cc3C1)CCC2 ZINC000217557394 241259561 /nfs/dbraw/zinc/25/95/61/241259561.db2.gz OZTKVGFIYPULDM-UHFFFAOYSA-N 0 0 341.455 2.669 50 70 EFIARN O=C(COc1ccccc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217655663 241265842 /nfs/dbraw/zinc/26/58/42/241265842.db2.gz JTYRSSSWZKJUJX-KRWDZBQOSA-N 0 0 348.406 2.798 50 70 EFIARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(n3ccnn3)CC2)cc1 ZINC000217690251 241266773 /nfs/dbraw/zinc/26/67/73/241266773.db2.gz RCEASRNGSKIIFL-UHFFFAOYSA-N 0 0 348.472 2.601 50 70 EFIARN Cc1cc(C(=O)N2CCC(Oc3ccccc3F)CC2)cc(=O)[nH]1 ZINC000217740374 241273238 /nfs/dbraw/zinc/27/32/38/241273238.db2.gz VAQOFDHKUWAZAG-UHFFFAOYSA-N 0 0 330.359 2.506 50 70 EFIARN CCCN(C[C@H]1CCCO1)C(=O)c1[nH]nc(N)c1-c1ccccc1 ZINC000216969157 241229200 /nfs/dbraw/zinc/22/92/00/241229200.db2.gz DSLOVXUACNDWOZ-CQSZACIVSA-N 0 0 328.416 2.690 50 70 EFIARN Cn1c2ccccc2c2cc(CC(=O)NCCn3ccnc3)ccc21 ZINC000217020128 241229727 /nfs/dbraw/zinc/22/97/27/241229727.db2.gz RRCBLKRBKXNQLP-UHFFFAOYSA-N 0 0 332.407 2.887 50 70 EFIARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1cc(C)no1)CC3 ZINC000217146623 241238412 /nfs/dbraw/zinc/23/84/12/241238412.db2.gz KXZKCGYYAYONLR-UHFFFAOYSA-N 0 0 325.368 2.600 50 70 EFIARN CSCc1ccc(C(=O)NCCc2noc(C(F)(F)F)n2)o1 ZINC000217488104 241252955 /nfs/dbraw/zinc/25/29/55/241252955.db2.gz FUXKRFPMKXQLSG-UHFFFAOYSA-N 0 0 335.307 2.517 50 70 EFIARN Cc1ccc2ncccc2c1CNC(=O)COC[C@H]1CCCCO1 ZINC000217552753 241256774 /nfs/dbraw/zinc/25/67/74/241256774.db2.gz QRYGNWXSJSWOTK-OAHLLOKOSA-N 0 0 328.412 2.745 50 70 EFIARN CCc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)s1 ZINC000217535785 241256967 /nfs/dbraw/zinc/25/69/67/241256967.db2.gz HXAMCXRSAQIOEL-LBPRGKRZSA-N 0 0 331.484 2.774 50 70 EFIARN C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccn(C(F)F)n1 ZINC000218501329 241327151 /nfs/dbraw/zinc/32/71/51/241327151.db2.gz YCOGOZXYERPTQA-JTQLQIEISA-N 0 0 337.326 2.883 50 70 EFIARN O=C(NCCc1nc(Cc2ccccc2)no1)c1cc(F)ccc1F ZINC000218506552 241329027 /nfs/dbraw/zinc/32/90/27/241329027.db2.gz HIUAJMSMGADLHC-UHFFFAOYSA-N 0 0 343.333 2.911 50 70 EFIARN O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000218523975 241329068 /nfs/dbraw/zinc/32/90/68/241329068.db2.gz BRSDBJZQNNRMPM-AWEZNQCLSA-N 0 0 338.363 2.545 50 70 EFIARN O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1ccccc1 ZINC000217891843 241280478 /nfs/dbraw/zinc/28/04/78/241280478.db2.gz JUISEGRWYDBUJP-UHFFFAOYSA-N 0 0 333.438 2.590 50 70 EFIARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)[C@H]1CCOC1 ZINC000217880378 241281235 /nfs/dbraw/zinc/28/12/35/241281235.db2.gz XNUNHMYIRKZNLJ-ZDUSSCGKSA-N 0 0 331.441 2.642 50 70 EFIARN O=C(CCc1ccc(F)c(F)c1)NCCc1noc(C(F)(F)F)n1 ZINC000217894077 241282035 /nfs/dbraw/zinc/28/20/35/241282035.db2.gz MWFJSYUJMZHKGJ-UHFFFAOYSA-N 0 0 349.259 2.658 50 70 EFIARN C[C@@](O)(CNC(=O)c1cc(C2CC2)on1)c1cc2ccccc2o1 ZINC000217992411 241289233 /nfs/dbraw/zinc/28/92/33/241289233.db2.gz DMUDTNSWKOXRHH-GOSISDBHSA-N 0 0 326.352 2.936 50 70 EFIARN OCc1cc2n(n1)CCN(Cc1ccc3cccc(Cl)c3n1)C2 ZINC000218029623 241291859 /nfs/dbraw/zinc/29/18/59/241291859.db2.gz KFLNGELYWVXTAF-UHFFFAOYSA-N 0 0 328.803 2.593 50 70 EFIARN Cc1ccc2[nH]c(CNC(=O)CCCN3CCCCC3=O)nc2c1C ZINC000218027215 241291910 /nfs/dbraw/zinc/29/19/10/241291910.db2.gz NSGUIWMJLLRLEV-UHFFFAOYSA-N 0 0 342.443 2.589 50 70 EFIARN Cc1cc(CC(=O)NCC2(c3cccc(F)c3)CCOCC2)on1 ZINC000218095718 241297816 /nfs/dbraw/zinc/29/78/16/241297816.db2.gz ZKUWTTNDBKEWEQ-UHFFFAOYSA-N 0 0 332.375 2.529 50 70 EFIARN Cc1ccc2[nH]c(CCC(=O)N[C@H](C)Cc3cnccn3)nc2c1C ZINC000218138652 241299854 /nfs/dbraw/zinc/29/98/54/241299854.db2.gz VMPFDSFMYROYPV-CYBMUJFWSA-N 0 0 337.427 2.650 50 70 EFIARN Cc1ccc2[nH]c(CCC(=O)N[C@@H](C)Cc3cnccn3)nc2c1C ZINC000218138569 241300587 /nfs/dbraw/zinc/30/05/87/241300587.db2.gz VMPFDSFMYROYPV-ZDUSSCGKSA-N 0 0 337.427 2.650 50 70 EFIARN COCCN1C[C@H](Cc2cccc(-c3nnc(C)s3)c2)CC1=O ZINC000218189152 241303812 /nfs/dbraw/zinc/30/38/12/241303812.db2.gz RNDGXJGNKIWIKT-CQSZACIVSA-N 0 0 331.441 2.551 50 70 EFIARN Cc1cc(=O)cc(C(=O)NCc2cc(-c3ccc(F)cc3)no2)o1 ZINC000218213224 241306757 /nfs/dbraw/zinc/30/67/57/241306757.db2.gz QTBYGZBHVNDXTN-UHFFFAOYSA-N 0 0 328.299 2.672 50 70 EFIARN O=C(CC(F)(F)F)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000218283429 241310547 /nfs/dbraw/zinc/31/05/47/241310547.db2.gz TUDWSRSJUGFDEL-NSHDSACASA-N 0 0 341.289 2.614 50 70 EFIARN COCCn1c(C)cc(C)c(C(=O)Nc2ccc3[nH]ccc3c2)c1=O ZINC000218566575 241330250 /nfs/dbraw/zinc/33/02/50/241330250.db2.gz YWKWUTOBUAWSOW-UHFFFAOYSA-N 0 0 339.395 2.845 50 70 EFIARN Cc1nn(CCC(=O)N2CCN(C)[C@H](c3ccccc3)C2)c(C)c1C ZINC000218276356 241310846 /nfs/dbraw/zinc/31/08/46/241310846.db2.gz HUBCEPLTHJZRFK-IBGZPJMESA-N 0 0 340.471 2.714 50 70 EFIARN CSc1ccc(CC(=O)N2CCN(C3CCCC3)C(=O)C2)cc1 ZINC000218340186 241315096 /nfs/dbraw/zinc/31/50/96/241315096.db2.gz RGJQDNXNBYMMLX-UHFFFAOYSA-N 0 0 332.469 2.564 50 70 EFIARN O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000218585811 241333043 /nfs/dbraw/zinc/33/30/43/241333043.db2.gz XWOYZJPCKNHXKJ-UHFFFAOYSA-N 0 0 335.835 2.750 50 70 EFIARN CCOCCOc1ccccc1C(=O)N(C)[C@@H](C)c1ccncn1 ZINC000218691548 241338740 /nfs/dbraw/zinc/33/87/40/241338740.db2.gz MEKNXKMLBDIFCG-AWEZNQCLSA-N 0 0 329.400 2.725 50 70 EFIARN O=C(Cn1ccnc1-c1ccccc1)N[C@H]1CC(=O)Nc2ccccc21 ZINC000218715584 241340350 /nfs/dbraw/zinc/34/03/50/241340350.db2.gz RKKQBSPEWIJBRK-KRWDZBQOSA-N 0 0 346.390 2.750 50 70 EFIARN O=C(Cc1ccc(F)cc1Cl)NCc1noc([C@H]2CCCO2)n1 ZINC000218764726 241344126 /nfs/dbraw/zinc/34/41/26/241344126.db2.gz WDQSAVDPXWWMID-GFCCVEGCSA-N 0 0 339.754 2.573 50 70 EFIARN O=C1C[C@@H](c2cc3ccccc3[nH]c2=O)c2cc3c(cc2O1)OCO3 ZINC000217628099 474144138 /nfs/dbraw/zinc/14/41/38/474144138.db2.gz LWSYFBKAKMRLGH-LLVKDONJSA-N 0 0 335.315 2.698 50 70 biogenic EFIARN CCOc1ccc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)cc1 ZINC000159745148 528536973 /nfs/dbraw/zinc/53/69/73/528536973.db2.gz KDTDRDVFCDLDDL-HNNXBMFYSA-N 0 0 326.400 2.881 50 70 EFIARN CCO[C@H]1CN(C(=O)CCc2ccc(-c3ccccc3)cc2)C[C@@H]1O ZINC000218266326 535635598 /nfs/dbraw/zinc/63/55/98/535635598.db2.gz URXPJJSTYAOAQJ-PMACEKPBSA-N 0 0 339.435 2.894 50 70 EFIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cnc2c(cccc2C(C)C)c1O ZINC000218169003 535651602 /nfs/dbraw/zinc/65/16/02/535651602.db2.gz BUDNKCVQDIDWOI-MLGOLLRUSA-N 0 0 330.428 2.788 50 70 EFIARN CC[C@H](NC(=O)c1nc(N)nc2c1CCCC2)c1cc(C)ccn1 ZINC000218631861 535891133 /nfs/dbraw/zinc/89/11/33/535891133.db2.gz PVJFXKLPIRIEHF-ZDUSSCGKSA-N 0 0 325.416 2.522 50 70 EFIARN COc1ccc(-c2csc3ncc(C(=O)NC(C)C)c(=O)n23)cc1 ZINC000218307357 536501929 /nfs/dbraw/zinc/50/19/29/536501929.db2.gz BSCVWQJYPKUGCO-UHFFFAOYSA-N 0 0 343.408 2.570 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000217563808 241258978 /nfs/dbraw/zinc/25/89/78/241258978.db2.gz OSYBRAQPDFFPGX-YBJDMEARSA-N 0 0 339.844 2.860 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000217556343 241259058 /nfs/dbraw/zinc/25/90/58/241259058.db2.gz IUEPOQNAJZKZBG-LBPRGKRZSA-N 0 0 347.358 2.826 50 70 EFIARN O[C@@H](c1cc2n(n1)CCCN(Cc1cscn1)C2)c1ccccc1 ZINC000217627456 241263643 /nfs/dbraw/zinc/26/36/43/241263643.db2.gz HQBHKFNCKOMUMK-GOSISDBHSA-N 0 0 340.452 2.827 50 70 EFIARN Cc1ccc2[nH]c([C@H](C)NC(=O)COCC(F)(F)C(F)F)nc2c1 ZINC000217794285 241274454 /nfs/dbraw/zinc/27/44/54/241274454.db2.gz RZCMQFGPGXBKOI-VIFPVBQESA-N 0 0 347.312 2.966 50 70 EFIARN Cc1cccc(Cl)c1OCCN1CCCn2nc(CO)cc2C1 ZINC000216918059 241221931 /nfs/dbraw/zinc/22/19/31/241221931.db2.gz MDHXPIBDNBMINR-UHFFFAOYSA-N 0 0 335.835 2.622 50 70 EFIARN Cc1cc(N)n(CC(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000216931922 241225889 /nfs/dbraw/zinc/22/58/89/241225889.db2.gz YFPAOASQNSWVLX-AWEZNQCLSA-N 0 0 332.835 2.833 50 70 EFIARN Cc1cc(N2CCCn3nc(CO)cc3C2)c2cc(F)cc(F)c2n1 ZINC000217004139 241229959 /nfs/dbraw/zinc/22/99/59/241229959.db2.gz ROISTRBLDISMNI-UHFFFAOYSA-N 0 0 344.365 2.921 50 70 EFIARN Cc1cc(CC(=O)NCc2csc(Cc3ccccc3)n2)on1 ZINC000216981257 241230015 /nfs/dbraw/zinc/23/00/15/241230015.db2.gz SLPXMQYAHHBQND-UHFFFAOYSA-N 0 0 327.409 2.889 50 70 EFIARN Cc1cc2cc(CNC(=O)c3ccc(N(C)CCO)cc3)ccc2[nH]1 ZINC000216994212 241231484 /nfs/dbraw/zinc/23/14/84/241231484.db2.gz MVAUCGZSZKSUCC-UHFFFAOYSA-N 0 0 337.423 2.835 50 70 EFIARN Cn1cc(C(=O)NCCc2noc(C(F)(F)F)n2)c2ccccc21 ZINC000217035748 241233499 /nfs/dbraw/zinc/23/34/99/241233499.db2.gz KCLLZEJQLGCECS-UHFFFAOYSA-N 0 0 338.289 2.553 50 70 EFIARN Cc1ccc2ncccc2c1CNC(=O)CN(C)Cc1cccnc1 ZINC000217200059 241242747 /nfs/dbraw/zinc/24/27/47/241242747.db2.gz HNIYTHHOIXOKSI-UHFFFAOYSA-N 0 0 334.423 2.686 50 70 EFIARN Cc1cc(=O)cc(C(=O)N2CCC(Oc3ccccc3F)CC2)o1 ZINC000217376084 241245501 /nfs/dbraw/zinc/24/55/01/241245501.db2.gz AFZYFEASKMTBAG-UHFFFAOYSA-N 0 0 331.343 2.771 50 70 EFIARN Cc1cc(=O)cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000217832968 241276323 /nfs/dbraw/zinc/27/63/23/241276323.db2.gz WXSPRUSODDBTDS-ZDUSSCGKSA-N 0 0 337.379 2.844 50 70 EFIARN O=C(NCc1nnc(-c2ccccc2)[nH]1)c1ccnc2ccccc21 ZINC000217527044 241254896 /nfs/dbraw/zinc/25/48/96/241254896.db2.gz UCXUEDQGNLYTFK-UHFFFAOYSA-N 0 0 329.363 2.950 50 70 EFIARN O=C(c1ccc(Cl)cc1F)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000217505462 241255717 /nfs/dbraw/zinc/25/57/17/241255717.db2.gz YWLQJFFWMIAHLN-CYBMUJFWSA-N 0 0 337.782 2.607 50 70 EFIARN Cc1cc(C2CCC2)nc(N2CCn3nc([C@@H](O)C4CC4)cc3C2)n1 ZINC000218409952 241319300 /nfs/dbraw/zinc/31/93/00/241319300.db2.gz RLWOYTXGKZHPDO-SFHVURJKSA-N 0 0 339.443 2.713 50 70 EFIARN Cc1ccc(C)n1CC(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218386629 241319839 /nfs/dbraw/zinc/31/98/39/241319839.db2.gz QGEYSFNVGAKADM-UHFFFAOYSA-N 0 0 335.448 2.621 50 70 EFIARN O=C(NCCc1csc(-c2ccncc2)n1)c1ccn(C(F)F)n1 ZINC000218498909 241325975 /nfs/dbraw/zinc/32/59/75/241325975.db2.gz BLLASXKHGWJTQU-UHFFFAOYSA-N 0 0 349.366 2.769 50 70 EFIARN COCC[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000218481163 241326600 /nfs/dbraw/zinc/32/66/00/241326600.db2.gz MCJRXVAPZJMYOW-CQSZACIVSA-N 0 0 331.334 2.512 50 70 EFIARN CCc1cc(CNC(=O)C[C@H](C)n2nc(C)c(C(C)=O)c2C)on1 ZINC000218525782 241328222 /nfs/dbraw/zinc/32/82/22/241328222.db2.gz AFARSKHECYRIQD-JTQLQIEISA-N 0 0 332.404 2.520 50 70 EFIARN O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1coc2ccccc12 ZINC000218528686 241329123 /nfs/dbraw/zinc/32/91/23/241329123.db2.gz FFKLDTGTJSQWHH-NVXWUHKLSA-N 0 0 338.363 2.794 50 70 EFIARN O=C(NCC[C@H](O)C1CCOCC1)c1cc(Cl)ccc1Cl ZINC000217919645 241283776 /nfs/dbraw/zinc/28/37/76/241283776.db2.gz YYXLWMDNWBUBCK-AWEZNQCLSA-N 0 0 332.227 2.901 50 70 EFIARN O=C(NCC[C@H](O)C1CCOCC1)NCc1cccc2ccccc21 ZINC000217930333 241286711 /nfs/dbraw/zinc/28/67/11/241286711.db2.gz LUGPQVWMHJTLBZ-IBGZPJMESA-N 0 0 342.439 2.817 50 70 EFIARN C[C@](O)(CNC(=O)COc1ccccc1F)c1cc2ccccc2o1 ZINC000217987718 241289745 /nfs/dbraw/zinc/28/97/45/241289745.db2.gz IXJPCPBJPDFJFN-IBGZPJMESA-N 0 0 343.354 2.975 50 70 EFIARN C[C@](O)(CNS(=O)(=O)c1cccs1)c1cc2ccccc2o1 ZINC000217996803 241289830 /nfs/dbraw/zinc/28/98/30/241289830.db2.gz HCLPPTVLCKLBSR-HNNXBMFYSA-N 0 0 337.422 2.680 50 70 EFIARN COc1ccc(F)cc1C(=O)N[C@@H]1COCC[C@@H]1OCC=C(C)C ZINC000217990947 241290562 /nfs/dbraw/zinc/29/05/62/241290562.db2.gz NFEBBWCIUNKAOI-WBVHZDCISA-N 0 0 337.391 2.704 50 70 EFIARN Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 ZINC000218029919 241291786 /nfs/dbraw/zinc/29/17/86/241291786.db2.gz FYDKUNUWMLZCIZ-QZTJIDSGSA-N 0 0 335.419 2.767 50 70 EFIARN COC[C@@H]1[C@@H](NC(=O)c2cc(C)nc3c(C)cccc23)[C@@H]2CCO[C@H]12 ZINC000218047018 241293898 /nfs/dbraw/zinc/29/38/98/241293898.db2.gz AEFNOHFYQBKGRY-FXECBMLZSA-N 0 0 340.423 2.631 50 70 EFIARN O=C(Cc1c[nH]c2ccccc12)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 ZINC000218242221 241307172 /nfs/dbraw/zinc/30/71/72/241307172.db2.gz JFQDQWGIENCGKG-NQYLQCIDSA-N 0 0 349.434 2.604 50 70 EFIARN CC[C@@H](O)c1cc2n(n1)CCN(Cc1cc3c(cc1Cl)OCO3)C2 ZINC000218346602 241315719 /nfs/dbraw/zinc/31/57/19/241315719.db2.gz KKNIIBCTLBCWOH-OAHLLOKOSA-N 0 0 349.818 2.724 50 70 EFIARN CC(C)C[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2[nH]1 ZINC000218373550 241318550 /nfs/dbraw/zinc/31/85/50/241318550.db2.gz VLOAXEUQXJBMDK-HNNXBMFYSA-N 0 0 349.398 2.518 50 70 EFIARN CC(=O)c1[nH]c(C)c(C(=O)NCc2cc(-c3cccnc3)no2)c1C ZINC000218572771 241333437 /nfs/dbraw/zinc/33/34/37/241333437.db2.gz HKBWXAUHLMIMGE-UHFFFAOYSA-N 0 0 338.367 2.814 50 70 EFIARN CC(=O)N1CC(Nc2ccc(C(=O)OC(C)C)c(Cl)c2)=CC1=O ZINC000218611338 241334671 /nfs/dbraw/zinc/33/46/71/241334671.db2.gz VUBOPXTUACINLO-UHFFFAOYSA-N 0 0 336.775 2.590 50 70 EFIARN COCCc1noc([C@@H](C)NC(=O)c2ccc(Cl)cc2F)n1 ZINC000218642270 241337565 /nfs/dbraw/zinc/33/75/65/241337565.db2.gz NZYNQDMMPYRSEN-MRVPVSSYSA-N 0 0 327.743 2.542 50 70 EFIARN COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)ccc1O ZINC000217664111 474143086 /nfs/dbraw/zinc/14/30/86/474143086.db2.gz GALRIPVKEIWQEZ-GFCCVEGCSA-N 0 0 328.320 2.750 50 70 biogenic EFIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc2nccnc2c1 ZINC000218229520 474144421 /nfs/dbraw/zinc/14/44/21/474144421.db2.gz CPEYAHNETCSVGD-UHFFFAOYSA-N 0 0 337.383 2.505 50 70 EFIARN CN(Cc1cccc2cnccc21)C(=O)c1ccc(N(C)CCO)cc1 ZINC000217013509 536477645 /nfs/dbraw/zinc/47/76/45/536477645.db2.gz MPGCOAQEDZAKLP-UHFFFAOYSA-N 0 0 349.434 2.936 50 70 EFIARN CCCc1nnsc1C(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217887744 535552206 /nfs/dbraw/zinc/55/22/06/535552206.db2.gz RKIZKRVZWHEHNE-UHFFFAOYSA-N 0 0 347.469 2.846 50 70 EFIARN COC[C@H]1[C@@H](NC(=O)c2oc3cc(C)ccc3c2C)[C@@H]2CCO[C@H]12 ZINC000218019395 536612623 /nfs/dbraw/zinc/61/26/23/536612623.db2.gz QIXABKTYRWBANL-DNUAJFIVSA-N 0 0 329.396 2.829 50 70 EFIARN COC(=O)[C@H](CCSC)NC(=O)CCn1ccc2c1cccc2C ZINC000217801066 536664289 /nfs/dbraw/zinc/66/42/89/536664289.db2.gz JNLDVCVYYOURSN-HNNXBMFYSA-N 0 0 348.468 2.751 50 70 biogenic EFIARN Cc1sc2ncnc(N3CCn4nc([C@@H](C)O)cc4C3)c2c1C ZINC000217024806 282492755 /nfs/dbraw/zinc/49/27/55/282492755.db2.gz CRERMLHFVFNVTH-SNVBAGLBSA-N 0 0 329.429 2.578 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000217564912 241258992 /nfs/dbraw/zinc/25/89/92/241258992.db2.gz WWDWLERDDOAFPM-INIZCTEOSA-N 0 0 343.448 2.889 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)c2ccc3nccc(C)c3c2)C1 ZINC000217560886 241259023 /nfs/dbraw/zinc/25/90/23/241259023.db2.gz FHJOZZWYSJDNBU-CQSZACIVSA-N 0 0 344.436 2.664 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)c2cccc3ccc(C)nc32)C1 ZINC000217562424 241259730 /nfs/dbraw/zinc/25/97/30/241259730.db2.gz XCDJURPLVNTWBM-AWEZNQCLSA-N 0 0 344.436 2.664 50 70 EFIARN Cc1noc(-c2ccsc2NC(=O)[C@H]2COc3ccccc3O2)n1 ZINC000217649514 241266221 /nfs/dbraw/zinc/26/62/21/241266221.db2.gz IXQJMDFYFTXSHO-CYBMUJFWSA-N 0 0 343.364 2.885 50 70 EFIARN Cc1cc(C)nc(NCC(=O)N2CCc3c4ccccc4[nH]c3C2)n1 ZINC000217743747 241273042 /nfs/dbraw/zinc/27/30/42/241273042.db2.gz YVTGIABPHSYNIY-UHFFFAOYSA-N 0 0 335.411 2.572 50 70 biogenic EFIARN Cc1ccc2[nH]c([C@@H](C)NC(=O)COCC(F)(F)C(F)F)nc2c1 ZINC000217794210 241275698 /nfs/dbraw/zinc/27/56/98/241275698.db2.gz RZCMQFGPGXBKOI-SECBINFHSA-N 0 0 347.312 2.966 50 70 EFIARN O=C(c1ccc(F)cc1Cl)N1CCC[C@]2(CNC(=O)O2)CC1 ZINC000217185111 241237967 /nfs/dbraw/zinc/23/79/67/241237967.db2.gz ILDCLSCDMZBOTP-OAHLLOKOSA-N 0 0 326.755 2.584 50 70 EFIARN O=C(CCCc1ccccc1)NCCc1noc([C@H]2CCCO2)n1 ZINC000217155916 241238173 /nfs/dbraw/zinc/23/81/73/241238173.db2.gz DTRCJRRVQAWQQF-OAHLLOKOSA-N 0 0 329.400 2.603 50 70 EFIARN O=C(CCCc1ccccc1)NCCc1noc([C@@H]2CCCO2)n1 ZINC000217155909 241238475 /nfs/dbraw/zinc/23/84/75/241238475.db2.gz DTRCJRRVQAWQQF-HNNXBMFYSA-N 0 0 329.400 2.603 50 70 EFIARN CC(=O)c1[nH]c(C)c(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)c1C ZINC000217195262 241242334 /nfs/dbraw/zinc/24/23/34/241242334.db2.gz GQUPQLDJWIAHFR-UHFFFAOYSA-N 0 0 336.395 2.950 50 70 EFIARN CC(C)Cc1cc(C(=O)N2CCC(c3ccncc3)CC2)nc(N)n1 ZINC000217338012 241244570 /nfs/dbraw/zinc/24/45/70/241244570.db2.gz JJYIVVLNQXRXEW-UHFFFAOYSA-N 0 0 339.443 2.672 50 70 EFIARN O=C(c1csc2c1CCCC2)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000217480893 241252794 /nfs/dbraw/zinc/25/27/94/241252794.db2.gz LUIZTLZEPYWTEU-CQSZACIVSA-N 0 0 345.468 2.755 50 70 EFIARN Cc1cccc(NC(=O)C(=O)NCC[C@H](O)c2ccsc2)c1C ZINC000217541534 241256524 /nfs/dbraw/zinc/25/65/24/241256524.db2.gz USYMOHOORUHQFX-HNNXBMFYSA-N 0 0 332.425 2.543 50 70 EFIARN O=S(=O)(NCC[C@@H](O)c1ccsc1)c1ccc(Cl)s1 ZINC000217536452 241257753 /nfs/dbraw/zinc/25/77/53/241257753.db2.gz ISAALQROIFOGPU-SECBINFHSA-N 0 0 337.875 2.865 50 70 EFIARN COc1ccc(NC(=O)c2c(C)cc(C)n(CC3CC3)c2=O)cn1 ZINC000218454199 241324014 /nfs/dbraw/zinc/32/40/14/241324014.db2.gz RDLLPFGWKNMGOA-UHFFFAOYSA-N 0 0 327.384 2.531 50 70 EFIARN CC(=O)N1CC(Nc2ccc(NC(=O)C(C)C)c(Cl)c2)=CC1=O ZINC000218478338 241326850 /nfs/dbraw/zinc/32/68/50/241326850.db2.gz AUXQGJGINUKVKM-UHFFFAOYSA-N 0 0 335.791 2.619 50 70 EFIARN O=C(CCCc1ccc(Cl)cc1)N1CCCn2nc(CO)cc2C1 ZINC000217821522 241277247 /nfs/dbraw/zinc/27/72/47/241277247.db2.gz ACZZOHGBGDFGRX-UHFFFAOYSA-N 0 0 347.846 2.784 50 70 EFIARN O[C@H](c1cc2n(n1)CCN(Cc1nccn1C1CC1)C2)c1ccccc1 ZINC000217869060 241281507 /nfs/dbraw/zinc/28/15/07/241281507.db2.gz KPXWPKYMLUWLQP-FQEVSTJZSA-N 0 0 349.438 2.512 50 70 EFIARN O=C(COc1ccccc1)NCCn1ccc(-c2ccsc2)n1 ZINC000217884998 241281656 /nfs/dbraw/zinc/28/16/56/241281656.db2.gz CHTWKCZCUDRJSQ-UHFFFAOYSA-N 0 0 327.409 2.807 50 70 EFIARN Cc1cc(C(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)no1 ZINC000217904827 241282774 /nfs/dbraw/zinc/28/27/74/241282774.db2.gz QHSDYONWBUMKEE-UHFFFAOYSA-N 0 0 340.383 2.641 50 70 EFIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccc(F)cc1F ZINC000218006677 241289969 /nfs/dbraw/zinc/28/99/69/241289969.db2.gz LHOWIODZDPKPSK-IBGZPJMESA-N 0 0 347.361 2.927 50 70 EFIARN Cc1noc(C)c1CCC(=O)NC[C@](C)(O)c1cc2ccccc2o1 ZINC000217987456 241290618 /nfs/dbraw/zinc/29/06/18/241290618.db2.gz LTVADTCHJFLUJU-IBGZPJMESA-N 0 0 342.395 2.994 50 70 EFIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)NCc1ccccc1 ZINC000218012878 241291573 /nfs/dbraw/zinc/29/15/73/241291573.db2.gz SIYBRGPBQZNPOP-HXUWFJFHSA-N 0 0 340.423 2.719 50 70 EFIARN CN(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)Cc1cccnc1 ZINC000218054495 241293582 /nfs/dbraw/zinc/29/35/82/241293582.db2.gz XHSLTDLMYZTNNL-KRWDZBQOSA-N 0 0 339.439 2.932 50 70 EFIARN COc1ccc(CNC(=O)CC2(n3cccc3)CCOCC2)cc1 ZINC000218122257 241299934 /nfs/dbraw/zinc/29/99/34/241299934.db2.gz JOOUDUPOCFYTOV-UHFFFAOYSA-N 0 0 328.412 2.709 50 70 EFIARN c1cc2ncnc(N[C@@H]3COCC[C@H]3OCc3ccccn3)c2s1 ZINC000218136391 241300081 /nfs/dbraw/zinc/30/00/81/241300081.db2.gz RDTJHORFORQPRM-HUUCEWRRSA-N 0 0 342.424 2.873 50 70 EFIARN O=C(CSc1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000218555828 241329933 /nfs/dbraw/zinc/32/99/33/241329933.db2.gz BHMUSLTUIGCXRF-YPMHNXCESA-N 0 0 338.860 2.559 50 70 EFIARN O=C(Cc1c[nH]c2ccccc12)N[C@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 ZINC000218242296 241308552 /nfs/dbraw/zinc/30/85/52/241308552.db2.gz JFQDQWGIENCGKG-CFLQYTFWSA-N 0 0 349.434 2.604 50 70 EFIARN Cn1cnnc1SCC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000218557727 241330410 /nfs/dbraw/zinc/33/04/10/241330410.db2.gz WQHDXAICVSBPDH-LBPRGKRZSA-N 0 0 336.848 2.577 50 70 EFIARN COCc1nc(CNC(=O)c2cccc(-c3cccc(F)c3)c2)no1 ZINC000218310723 241313549 /nfs/dbraw/zinc/31/35/49/241313549.db2.gz WQYZXOYNELVKEX-UHFFFAOYSA-N 0 0 341.342 2.952 50 70 EFIARN O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccccn1 ZINC000218319136 241314959 /nfs/dbraw/zinc/31/49/59/241314959.db2.gz DTDXCRFEUIDFNG-GSQSYGFSSA-N 0 0 333.391 2.872 50 70 EFIARN CSc1ncc(C(=O)NC2CCN(c3ccccc3F)CC2)cn1 ZINC000218376960 241317930 /nfs/dbraw/zinc/31/79/30/241317930.db2.gz XMMUREMNEKNKQO-UHFFFAOYSA-N 0 0 346.431 2.736 50 70 EFIARN CCc1nc(C)c(CNC(=O)COCC(F)(F)C(F)F)s1 ZINC000218677215 241336827 /nfs/dbraw/zinc/33/68/27/241336827.db2.gz DNRZRSSUJKEOJI-UHFFFAOYSA-N 0 0 328.331 2.547 50 70 EFIARN CN(Cc1nc2cc(Cl)ccc2[nH]1)c1cc(C2CC(O)C2)ncn1 ZINC000218685356 241338356 /nfs/dbraw/zinc/33/83/56/241338356.db2.gz OHTCFFQUVGZEGS-UHFFFAOYSA-N 0 0 343.818 2.881 50 70 EFIARN Cc1cc(COc2ccccc2)oc1C(=O)N[C@H](C)Cn1cncn1 ZINC000218740317 241340409 /nfs/dbraw/zinc/34/04/09/241340409.db2.gz PCNWGFXZBAWULG-CQSZACIVSA-N 0 0 340.383 2.577 50 70 EFIARN O=C1C[C@@H](c2ccc3c(c2)OCCO3)c2cc3c(cc2O1)OCO3 ZINC000217859872 280269457 /nfs/dbraw/zinc/26/94/57/280269457.db2.gz WGGGZMQJKARBON-NSHDSACASA-N 0 0 326.304 2.628 50 70 biogenic EFIARN Cc1nnnn1-c1ccccc1C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000217991121 302832805 /nfs/dbraw/zinc/83/28/05/302832805.db2.gz XJKGVFITADQBPZ-KRWDZBQOSA-N 0 0 348.410 2.733 50 70 biogenic EFIARN Cc1sc2ncnc(N3CCn4nc([C@H](C)O)cc4C3)c2c1C ZINC000217024844 474142557 /nfs/dbraw/zinc/14/25/57/474142557.db2.gz CRERMLHFVFNVTH-JTQLQIEISA-N 0 0 329.429 2.578 50 70 EFIARN CC(C)[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1 ZINC000218281857 474145474 /nfs/dbraw/zinc/14/54/74/474145474.db2.gz FYVYUIDNXAOPDC-GWCFXTLKSA-N 0 0 339.461 2.689 50 70 EFIARN CCCc1nnsc1C(=O)NC[C@](C)(O)c1cc2ccccc2o1 ZINC000217987999 535551923 /nfs/dbraw/zinc/55/19/23/535551923.db2.gz RWQZQGKNDSMPQJ-KRWDZBQOSA-N 0 0 345.424 2.874 50 70 EFIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2c(C)nn(C(C)C)c2C)n[nH]1 ZINC000218277035 535650756 /nfs/dbraw/zinc/65/07/56/535650756.db2.gz DEIAKROIOIRXOO-BDJLRTHQSA-N 0 0 347.463 2.608 50 70 EFIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(OC)c(-n2nc(C)cc2C)c1 ZINC000218201490 535652539 /nfs/dbraw/zinc/65/25/39/535652539.db2.gz FKOQFVNUAXYYQD-MLGOLLRUSA-N 0 0 345.443 2.635 50 70 EFIARN COCCc1nc(CNC(=O)c2cc(C(F)(F)F)ccc2C)no1 ZINC000218764022 536836356 /nfs/dbraw/zinc/83/63/56/536836356.db2.gz ZEVRBDZCNBBOGP-UHFFFAOYSA-N 0 0 343.305 2.516 50 70 EFIARN O=C(CCc1cc(Cl)no1)NCC[C@H]1COc2ccccc2O1 ZINC000217568386 241261321 /nfs/dbraw/zinc/26/13/21/241261321.db2.gz NKPOUWGHJGNZNS-LBPRGKRZSA-N 0 0 336.775 2.607 50 70 EFIARN O[C@H](c1cc2n(n1)CCCN(Cc1cscn1)C2)c1ccccc1 ZINC000217627544 241263523 /nfs/dbraw/zinc/26/35/23/241263523.db2.gz HQBHKFNCKOMUMK-SFHVURJKSA-N 0 0 340.452 2.827 50 70 EFIARN CSc1ncccc1C(=O)N(C)CCc1noc(C(F)(F)F)n1 ZINC000217629303 241265183 /nfs/dbraw/zinc/26/51/83/241265183.db2.gz YCTNSARHMUBGBM-UHFFFAOYSA-N 0 0 346.334 2.520 50 70 EFIARN C[C@@H](C(=O)NCCn1ccc2ccccc21)N1Cc2ccccc2C1=O ZINC000217679237 241268483 /nfs/dbraw/zinc/26/84/83/241268483.db2.gz IBHHAGKKXRCLOR-HNNXBMFYSA-N 0 0 347.418 2.802 50 70 biogenic EFIARN CC(=O)c1[nH]c(C)c(C(=O)NCCc2noc(C3CCCC3)n2)c1C ZINC000217701410 241269457 /nfs/dbraw/zinc/26/94/57/241269457.db2.gz BFRUBMXEGUXPEA-UHFFFAOYSA-N 0 0 344.415 2.847 50 70 EFIARN CN(CCc1noc(C(F)(F)F)n1)C(=O)c1cc2ccccc2[nH]1 ZINC000216908986 241218897 /nfs/dbraw/zinc/21/88/97/241218897.db2.gz BIWHKZZHRLTOJE-UHFFFAOYSA-N 0 0 338.289 2.884 50 70 EFIARN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1Cl ZINC000216913936 241223722 /nfs/dbraw/zinc/22/37/22/241223722.db2.gz RGFYPVLZNIGUNS-LBPRGKRZSA-N 0 0 327.783 2.937 50 70 EFIARN CCCN(C[C@@H]1CCCO1)C(=O)c1[nH]nc(N)c1-c1ccccc1 ZINC000216969144 241229161 /nfs/dbraw/zinc/22/91/61/241229161.db2.gz DSLOVXUACNDWOZ-AWEZNQCLSA-N 0 0 328.416 2.690 50 70 EFIARN Cc1nnc([C@@H]2CCCN2C(=O)c2ccccc2N2CCCC2)[nH]1 ZINC000217080376 241236442 /nfs/dbraw/zinc/23/64/42/241236442.db2.gz QVRINGYZCITJEK-INIZCTEOSA-N 0 0 325.416 2.691 50 70 EFIARN OCc1cc2n(n1)CCN(Cc1c(F)ccc(Cl)c1Cl)C2 ZINC000217151947 241239208 /nfs/dbraw/zinc/23/92/08/241239208.db2.gz QJQCASDHHMGCKI-UHFFFAOYSA-N 0 0 330.190 2.837 50 70 EFIARN CN(CCc1noc(C(F)(F)F)n1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000217179106 241239533 /nfs/dbraw/zinc/23/95/33/241239533.db2.gz RSOLMAPAYPXAIC-NWDGAFQWSA-N 0 0 339.317 2.893 50 70 EFIARN OCc1cc2n(n1)CCCN(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000217550901 241257147 /nfs/dbraw/zinc/25/71/47/241257147.db2.gz ABZPJHFCPUQLJC-UHFFFAOYSA-N 0 0 346.740 2.853 50 70 EFIARN COc1cn(CC(=O)Nc2cccc(-n3cccc3)c2)c(C)cc1=O ZINC000218398457 241319495 /nfs/dbraw/zinc/31/94/95/241319495.db2.gz YLGVAIYWXXLRIN-UHFFFAOYSA-N 0 0 337.379 2.595 50 70 EFIARN O=C(CCOc1ccccc1)N[C@H]1CCCN(Cc2cccnc2)C1 ZINC000218413995 241322020 /nfs/dbraw/zinc/32/20/20/241322020.db2.gz HLBXGWZEGRFORK-SFHVURJKSA-N 0 0 339.439 2.631 50 70 EFIARN C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccn(C(F)F)n1 ZINC000218501396 241326250 /nfs/dbraw/zinc/32/62/50/241326250.db2.gz YCOGOZXYERPTQA-SNVBAGLBSA-N 0 0 337.326 2.883 50 70 EFIARN Nc1n[nH]c(C(=O)N2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1Cl ZINC000217844024 241279542 /nfs/dbraw/zinc/27/95/42/241279542.db2.gz NKLSOXWMLIDXME-JTQLQIEISA-N 0 0 348.769 2.638 50 70 EFIARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)[C@@H]1CCOC1 ZINC000217880306 241280802 /nfs/dbraw/zinc/28/08/02/241280802.db2.gz XNUNHMYIRKZNLJ-CYBMUJFWSA-N 0 0 331.441 2.642 50 70 EFIARN O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1cccs1 ZINC000217891954 241281558 /nfs/dbraw/zinc/28/15/58/241281558.db2.gz WPZUOHMMVHXAEI-UHFFFAOYSA-N 0 0 339.467 2.652 50 70 EFIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1ccc2c(c1)OCO2 ZINC000217883968 241282136 /nfs/dbraw/zinc/28/21/36/241282136.db2.gz QLRCHIACLNAQPV-UHFFFAOYSA-N 0 0 341.392 2.770 50 70 EFIARN Cc1ccnn1CC(=O)N1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000217931682 241285937 /nfs/dbraw/zinc/28/59/37/241285937.db2.gz TUZSCWZRFQNAIF-INIZCTEOSA-N 0 0 341.390 2.961 50 70 EFIARN COC(=O)C[C@H](c1ccc(OC)cc1)c1cc2c(cc1O)OCO2 ZINC000217964513 241287549 /nfs/dbraw/zinc/28/75/49/241287549.db2.gz VTNSPQRYYUWLHL-CYBMUJFWSA-N 0 0 330.336 2.825 50 70 biogenic EFIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)/C=C/c1ccco1 ZINC000218005588 241289608 /nfs/dbraw/zinc/28/96/08/241289608.db2.gz UWXCBXKQOGNSNU-QRBZPYHOSA-N 0 0 327.380 2.642 50 70 EFIARN COc1cccc(OC)c1C(=O)N1CCC(Oc2cccnc2)CC1 ZINC000218043308 241292902 /nfs/dbraw/zinc/29/29/02/241292902.db2.gz NSCOHRKKBYJIBP-UHFFFAOYSA-N 0 0 342.395 2.782 50 70 EFIARN O=C(CCc1cccnc1)N1CCC[C@H](OCc2ccccn2)C1 ZINC000218050267 241294559 /nfs/dbraw/zinc/29/45/59/241294559.db2.gz VEXAOZAPKRIFNP-SFHVURJKSA-N 0 0 325.412 2.617 50 70 EFIARN Cc1sc(Cl)nc1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000218149207 241301809 /nfs/dbraw/zinc/30/18/09/241301809.db2.gz QHVBBIXPPRPDAM-UHFFFAOYSA-N 0 0 333.804 2.997 50 70 EFIARN O=C(NCCc1noc([C@H]2CCCO2)n1)c1ccc2c(c1)CCCC2 ZINC000218219938 241305652 /nfs/dbraw/zinc/30/56/52/241305652.db2.gz PXJUKRFLIPYXBW-MRXNPFEDSA-N 0 0 341.411 2.772 50 70 EFIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(-c2ccco2)on1 ZINC000218198133 241306002 /nfs/dbraw/zinc/30/60/02/241306002.db2.gz VEKUBXNYNGFPJJ-UHFFFAOYSA-N 0 0 342.355 2.810 50 70 EFIARN Cc1nc2c(s1)CCC[C@H]2NC(=O)CC1=CSC2=NCCCN12 ZINC000218278449 241309630 /nfs/dbraw/zinc/30/96/30/241309630.db2.gz CIBVNIIAWWRVKJ-GFCCVEGCSA-N 0 0 348.497 2.985 50 70 EFIARN Cc1cc(C[C@@H](C)NC(=O)CSc2nc3cc(C)ccc3[nH]2)[nH]n1 ZINC000218272068 241309996 /nfs/dbraw/zinc/30/99/96/241309996.db2.gz RQUVHACMVGNTRZ-LLVKDONJSA-N 0 0 343.456 2.742 50 70 EFIARN O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)CCC2 ZINC000218277372 241311743 /nfs/dbraw/zinc/31/17/43/241311743.db2.gz GFCSZEWGASSUAZ-VAMGGRTRSA-N 0 0 336.435 2.682 50 70 EFIARN Nc1nnc(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)s1 ZINC000218293468 241313110 /nfs/dbraw/zinc/31/31/10/241313110.db2.gz FMUYDROVVBSQEQ-UHFFFAOYSA-N 0 0 342.399 2.899 50 70 EFIARN Cc1cc([C@H]2CCCCN2C(=O)c2nc(N)nc3c2CCCC3)no1 ZINC000218308897 241313802 /nfs/dbraw/zinc/31/38/02/241313802.db2.gz JNEIXMDZIBBLMP-OAHLLOKOSA-N 0 0 341.415 2.601 50 70 EFIARN c1ccc2c(c1)OC[C@@H](CCc1ccc(N3CCSCC3)nn1)O2 ZINC000218747475 241344895 /nfs/dbraw/zinc/34/48/95/241344895.db2.gz AIDYNKHXFOKJRH-OAHLLOKOSA-N 0 0 343.452 2.802 50 70 EFIARN C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nncn1C1CCCC1 ZINC000218784102 241346120 /nfs/dbraw/zinc/34/61/20/241346120.db2.gz MPMWRWMVFHYJHP-GFCCVEGCSA-N 0 0 342.399 2.542 50 70 EFIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000217630058 275506175 /nfs/dbraw/zinc/50/61/75/275506175.db2.gz SVDUSABGCTUHRC-GFCCVEGCSA-N 0 0 326.304 2.765 50 70 biogenic EFIARN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCC[C@H]1c1cccnc1 ZINC000217939527 295559594 /nfs/dbraw/zinc/55/95/94/295559594.db2.gz RWCSMXXDAIEENT-SFHVURJKSA-N 0 0 348.406 2.614 50 70 biogenic EFIARN Cc1nc(N)ncc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000217202993 302597619 /nfs/dbraw/zinc/59/76/19/302597619.db2.gz HXNOCPFTFUPHCL-HNNXBMFYSA-N 0 0 336.399 2.611 50 70 EFIARN O=C(Cc1noc2ccccc12)Nc1cnn(CC2CCOCC2)c1 ZINC000218200312 474144498 /nfs/dbraw/zinc/14/44/98/474144498.db2.gz RKJSMRMPYNBELE-UHFFFAOYSA-N 0 0 340.383 2.632 50 70 EFIARN CC(C)[C@H](NC(=O)c1cc(=O)[nH]c2ccc(F)cc21)c1nccn1C ZINC000218429174 535108194 /nfs/dbraw/zinc/10/81/94/535108194.db2.gz KHHXFTVIPWGINY-INIZCTEOSA-N 0 0 342.374 2.528 50 70 EFIARN CCCc1nnsc1C(=O)NC[C@@](C)(O)c1cc2ccccc2o1 ZINC000217988069 535551483 /nfs/dbraw/zinc/55/14/83/535551483.db2.gz RWQZQGKNDSMPQJ-QGZVFWFLSA-N 0 0 345.424 2.874 50 70 EFIARN CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]([C@@H](C)CC)N1Cc2ccccc2C1=O ZINC000217828730 535650674 /nfs/dbraw/zinc/65/06/74/535650674.db2.gz WRCHTUFSIMGECA-LTCOOKNTSA-N 0 0 346.471 2.580 50 70 EFIARN CC[C@@H](NS(=O)(=O)c1cc(C)c(F)cc1Cl)C1CC(O)C1 ZINC000218299968 535806917 /nfs/dbraw/zinc/80/69/17/535806917.db2.gz BBHRCBCNMZQUAX-SRHKJQAYSA-N 0 0 335.828 2.615 50 70 EFIARN COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1cc2c(cc1O)OCO2 ZINC000217953606 536313348 /nfs/dbraw/zinc/31/33/48/536313348.db2.gz DFBOMFGOQIMIRZ-NSHDSACASA-N 0 0 346.335 2.530 50 70 biogenic EFIARN CN1C(=O)C[C@H](CNC(=O)c2cccc(F)c2F)c2ccccc21 ZINC000216971134 536317610 /nfs/dbraw/zinc/31/76/10/536317610.db2.gz FZNTZNRAZWNMFA-LLVKDONJSA-N 0 0 330.334 2.845 50 70 EFIARN COc1ccc(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)o1 ZINC000218504772 536711661 /nfs/dbraw/zinc/71/16/61/536711661.db2.gz FHYCHHJISIASLI-UHFFFAOYSA-N 0 0 344.415 2.626 50 70 EFIARN O=C(NC[C@H]1CCCN1c1nccs1)c1ccc2nsnc2c1 ZINC000217595476 241263572 /nfs/dbraw/zinc/26/35/72/241263572.db2.gz SZSHDOMMUNTSNS-LLVKDONJSA-N 0 0 345.453 2.547 50 70 EFIARN O=C(COc1ccccc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217655576 241265642 /nfs/dbraw/zinc/26/56/42/241265642.db2.gz JTYRSSSWZKJUJX-QGZVFWFLSA-N 0 0 348.406 2.798 50 70 EFIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)C1(c3ccc(F)cc3)CC1)C2 ZINC000217665586 241267028 /nfs/dbraw/zinc/26/70/28/241267028.db2.gz WVYYPYLFKROYFA-ZDUSSCGKSA-N 0 0 343.402 2.540 50 70 EFIARN CN(C)[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1F ZINC000217672752 241267702 /nfs/dbraw/zinc/26/77/02/241267702.db2.gz PLFGYGWDVMOIQD-KRWDZBQOSA-N 0 0 330.407 2.558 50 70 EFIARN Cc1ccc2c(c1)c(=O)c(C(=O)N(C)CC[C@H]1CCCCO1)cn2C ZINC000217720537 241270741 /nfs/dbraw/zinc/27/07/41/241270741.db2.gz GTGAPSDKEVWGBV-OAHLLOKOSA-N 0 0 342.439 2.878 50 70 EFIARN CCc1nc(C)ccc1OCC(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000216908838 241219040 /nfs/dbraw/zinc/21/90/40/241219040.db2.gz GSAZZSVPTUNCND-UHFFFAOYSA-N 0 0 342.374 2.663 50 70 EFIARN Cn1cccc1C(=O)C(=O)N1CCC[C@@H](COc2cccc(F)c2)C1 ZINC000216923044 241222691 /nfs/dbraw/zinc/22/26/91/241222691.db2.gz ISIPDESZARXUOX-CQSZACIVSA-N 0 0 344.386 2.665 50 70 EFIARN CCOc1cc2c(cc1CN1CCn3nc([C@@H](C)O)cc3C1)CCC2 ZINC000216924977 241223744 /nfs/dbraw/zinc/22/37/44/241223744.db2.gz CKPFTHOKJRRUKN-CQSZACIVSA-N 0 0 341.455 2.840 50 70 EFIARN Cn1cccc1C(=O)C(=O)N1CCC[C@H](COc2cccc(F)c2)C1 ZINC000216923062 241223806 /nfs/dbraw/zinc/22/38/06/241223806.db2.gz ISIPDESZARXUOX-AWEZNQCLSA-N 0 0 344.386 2.665 50 70 EFIARN Cc1cncnc1C1CCN(C(=O)Cc2ccc(N(C)C)cc2)CC1 ZINC000216951934 241227676 /nfs/dbraw/zinc/22/76/76/241227676.db2.gz QFRBLYUILNNARE-UHFFFAOYSA-N 0 0 338.455 2.800 50 70 EFIARN CC(C)Cc1nc2ccccc2n1[C@@H](C)C(=O)NCCc1cn[nH]c1 ZINC000216964738 241230695 /nfs/dbraw/zinc/23/06/95/241230695.db2.gz SKPQCBXPBXZQMX-AWEZNQCLSA-N 0 0 339.443 2.878 50 70 EFIARN CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2nccs2)nc(N)n1 ZINC000217178231 241237500 /nfs/dbraw/zinc/23/75/00/241237500.db2.gz QKTIHDGMJFLVNG-CYBMUJFWSA-N 0 0 331.445 2.691 50 70 EFIARN O=C(CO[C@@H](c1ccccc1)C(F)(F)F)N1CCc2n[nH]cc2C1 ZINC000217176378 241239142 /nfs/dbraw/zinc/23/91/42/241239142.db2.gz FMNRUSMVBSHLTD-HNNXBMFYSA-N 0 0 339.317 2.615 50 70 EFIARN C[C@@H](C(=O)N1CCNC(=O)CC1)c1ccc(-c2ccccc2)c(F)c1 ZINC000217341157 241243881 /nfs/dbraw/zinc/24/38/81/241243881.db2.gz WZWZUGKJGYXRIO-CQSZACIVSA-N 0 0 340.398 2.945 50 70 EFIARN C[C@H](C(=O)N1CCNC(=O)CC1)c1ccc(-c2ccccc2)c(F)c1 ZINC000217341231 241244476 /nfs/dbraw/zinc/24/44/76/241244476.db2.gz WZWZUGKJGYXRIO-AWEZNQCLSA-N 0 0 340.398 2.945 50 70 EFIARN Cn1cccc1C(=O)C(=O)NCc1csc(-c2ccccc2)n1 ZINC000217387398 241247215 /nfs/dbraw/zinc/24/72/15/241247215.db2.gz KOOLHKFHLQOMPJ-UHFFFAOYSA-N 0 0 325.393 2.648 50 70 EFIARN Cc1cnn([C@H](C)C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000218488266 241326577 /nfs/dbraw/zinc/32/65/77/241326577.db2.gz WTJHDALVJFQXBS-LLVKDONJSA-N 0 0 331.807 2.641 50 70 EFIARN COC(=O)[C@@H](NC(=O)c1cn(C(C)C)c(=O)c2ccccc12)C(C)C ZINC000217830380 241277551 /nfs/dbraw/zinc/27/75/51/241277551.db2.gz ZOWDVUBSUBYXQK-INIZCTEOSA-N 0 0 344.411 2.510 50 70 biogenic EFIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1cnc2ccccc2n1 ZINC000217886971 241282150 /nfs/dbraw/zinc/28/21/50/241282150.db2.gz NNUSIAFWIZAIIL-UHFFFAOYSA-N 0 0 349.419 2.985 50 70 EFIARN C[C@@](O)(CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2o1 ZINC000217986213 241290657 /nfs/dbraw/zinc/29/06/57/241290657.db2.gz AQTUWISSCSDSPX-LJQANCHMSA-N 0 0 339.347 2.799 50 70 EFIARN O=C([C@H]1CCC[C@H](O)C1)N(CCCO)Cc1ccc(Cl)cc1 ZINC000218033713 241292351 /nfs/dbraw/zinc/29/23/51/241292351.db2.gz FRGYRCYGWGPKOH-HOCLYGCPSA-N 0 0 325.836 2.602 50 70 EFIARN C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nnc(N)s1 ZINC000218057991 241294369 /nfs/dbraw/zinc/29/43/69/241294369.db2.gz QUOMDVPIOYLYBR-VIFPVBQESA-N 0 0 341.440 2.971 50 70 EFIARN CSc1ncc(C(=O)NCc2nc3c(ccc(C)c3C)[nH]2)cn1 ZINC000218074136 241295423 /nfs/dbraw/zinc/29/54/23/241295423.db2.gz VREZRLSFPJBTCQ-UHFFFAOYSA-N 0 0 327.413 2.622 50 70 EFIARN Cc1ccc(C)c(CC(=O)N2CCOc3ccc(CO)cc3C2)c1 ZINC000218139388 241300346 /nfs/dbraw/zinc/30/03/46/241300346.db2.gz WQIPSJZUTHLNOK-UHFFFAOYSA-N 0 0 325.408 2.759 50 70 EFIARN CO[C@@H]1CCOC[C@H]1NC(=O)c1c(C)nccc1-c1ccccc1 ZINC000218151901 241302342 /nfs/dbraw/zinc/30/23/42/241302342.db2.gz BLAGKCWFSOIXGT-IAGOWNOFSA-N 0 0 326.396 2.591 50 70 EFIARN COCCN1C[C@@H](Cc2cccc(-c3nnc(C)s3)c2)CC1=O ZINC000218189068 241303985 /nfs/dbraw/zinc/30/39/85/241303985.db2.gz RNDGXJGNKIWIKT-AWEZNQCLSA-N 0 0 331.441 2.551 50 70 EFIARN Cc1nc(C2CC(O)C2)cc(N(C)Cc2ccccc2-n2cccn2)n1 ZINC000218202585 241305401 /nfs/dbraw/zinc/30/54/01/241305401.db2.gz LEQPPJBHIBZYHY-UHFFFAOYSA-N 0 0 349.438 2.845 50 70 EFIARN CC(C)c1nc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)cs1 ZINC000218199150 241305544 /nfs/dbraw/zinc/30/55/44/241305544.db2.gz SWKVHAWWBBGPLK-UHFFFAOYSA-N 0 0 325.821 2.581 50 70 EFIARN C[C@H](NC(=O)c1cc2c([nH]c1=O)CCC2)c1nc2c(s1)CCCC2 ZINC000218219652 241306228 /nfs/dbraw/zinc/30/62/28/241306228.db2.gz BPPOFAFDGHFDIY-JTQLQIEISA-N 0 0 343.452 2.690 50 70 EFIARN Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)s1 ZINC000218237963 241307295 /nfs/dbraw/zinc/30/72/95/241307295.db2.gz WLCKTLPPBWULJA-HZPDHXFCSA-N 0 0 347.436 2.515 50 70 EFIARN O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc(F)cc1Cl ZINC000218239489 241307482 /nfs/dbraw/zinc/30/74/82/241307482.db2.gz GXPIDPLBVIFKCS-CABCVRRESA-N 0 0 327.783 2.793 50 70 EFIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1c(C)noc1C ZINC000218282464 241310407 /nfs/dbraw/zinc/31/04/07/241310407.db2.gz DAXKOLKRJIKPCN-LBPRGKRZSA-N 0 0 342.399 2.779 50 70 EFIARN O=C(Cn1cc(-c2ccccc2)ncc1=O)NCCC1=CCCCC1 ZINC000218293082 241312210 /nfs/dbraw/zinc/31/22/10/241312210.db2.gz JVLYFYRDJVMTHU-UHFFFAOYSA-N 0 0 337.423 2.917 50 70 EFIARN O=C(CCn1cncn1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000218301057 241313136 /nfs/dbraw/zinc/31/31/36/241313136.db2.gz XXSNCNKKOHGZOV-KRWDZBQOSA-N 0 0 341.802 2.622 50 70 EFIARN CC(=O)c1ccc(C(=O)NCCc2nc(C)c3c(n2)CCCC3)s1 ZINC000218307525 241313276 /nfs/dbraw/zinc/31/32/76/241313276.db2.gz BIPWJSDKQRAMEC-UHFFFAOYSA-N 0 0 343.452 2.900 50 70 EFIARN CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc(C)no2)s1 ZINC000218361340 241317362 /nfs/dbraw/zinc/31/73/62/241317362.db2.gz CVFIATWHTRPUIY-LLVKDONJSA-N 0 0 335.433 2.942 50 70 EFIARN COC(=O)[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)nn1C)C(C)C ZINC000218370089 241318416 /nfs/dbraw/zinc/31/84/16/241318416.db2.gz DGVOUWAMNJQAQQ-HNNXBMFYSA-N 0 0 349.818 2.668 50 70 EFIARN Cc1cccnc1C[C@H](C)NC(=O)c1ccccc1N1CCOCC1 ZINC000218364961 241318510 /nfs/dbraw/zinc/31/85/10/241318510.db2.gz ZABYDGQIMBNZBY-INIZCTEOSA-N 0 0 339.439 2.588 50 70 EFIARN CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000218615796 241334207 /nfs/dbraw/zinc/33/42/07/241334207.db2.gz LQYUUHGFPDWHGA-ZIAGYGMSSA-N 0 0 331.334 2.558 50 70 EFIARN O=C(Cn1ncc2ccccc21)N[C@@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12 ZINC000218662646 241337706 /nfs/dbraw/zinc/33/77/06/241337706.db2.gz PJGBNPVRVOJLLL-LDTOTXGLSA-N 0 0 339.439 2.746 50 70 EFIARN O=C(NCc1ccc2cc[nH]c2c1)c1ccccc1N1CCOCC1 ZINC000218746659 241343063 /nfs/dbraw/zinc/34/30/63/241343063.db2.gz MNPBSCUGPHERLJ-UHFFFAOYSA-N 0 0 335.407 2.935 50 70 EFIARN COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)ccc1O ZINC000217664024 286245656 /nfs/dbraw/zinc/24/56/56/286245656.db2.gz GALRIPVKEIWQEZ-LBPRGKRZSA-N 0 0 328.320 2.750 50 70 biogenic EFIARN COc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000217730761 286377401 /nfs/dbraw/zinc/37/74/01/286377401.db2.gz KNAUAECIKJZIBT-GFCCVEGCSA-N 0 0 328.320 2.874 50 70 biogenic EFIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccc3nccnc3c1)CC(=O)O2 ZINC000218195280 275506024 /nfs/dbraw/zinc/50/60/24/275506024.db2.gz CYMDFBVWMPROGB-CYBMUJFWSA-N 0 0 334.331 2.979 50 70 EFIARN O=C(NCc1ccc(-n2cccn2)cc1)c1cccc(-c2nc[nH]n2)c1 ZINC000160399662 473118666 /nfs/dbraw/zinc/11/86/66/473118666.db2.gz FWEMSJUUOUSTRG-UHFFFAOYSA-N 0 0 344.378 2.587 50 70 EFIARN CCOc1ccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000159745010 528535260 /nfs/dbraw/zinc/53/52/60/528535260.db2.gz KDTDRDVFCDLDDL-OAHLLOKOSA-N 0 0 326.400 2.881 50 70 EFIARN CCCc1ccc(C(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)cc1 ZINC000217781871 535413697 /nfs/dbraw/zinc/41/36/97/535413697.db2.gz ZBQAXILLLMMVPH-AWEZNQCLSA-N 0 0 332.425 2.549 50 70 EFIARN CCCc1ccc(C(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)cc1 ZINC000217781952 535414116 /nfs/dbraw/zinc/41/41/16/535414116.db2.gz ZBQAXILLLMMVPH-CQSZACIVSA-N 0 0 332.425 2.549 50 70 EFIARN COc1ccc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000217670713 536709169 /nfs/dbraw/zinc/70/91/69/536709169.db2.gz AQRVROLWNBTXNG-UHFFFAOYSA-N 0 0 334.379 2.651 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(C)c(C)c2)C1 ZINC000217561091 241258744 /nfs/dbraw/zinc/25/87/44/241258744.db2.gz AUZRUWICPVOYKR-MRXNPFEDSA-N 0 0 335.469 2.743 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000217556457 241259217 /nfs/dbraw/zinc/25/92/17/241259217.db2.gz GILOZJVRDXDUKA-SNVBAGLBSA-N 0 0 347.358 2.826 50 70 EFIARN O=C(NCCc1noc([C@@H]2CCCO2)n1)c1ccc(Cl)s1 ZINC000217816255 241276704 /nfs/dbraw/zinc/27/67/04/241276704.db2.gz IYZDVNNFFKBELO-QMMMGPOBSA-N 0 0 327.793 2.609 50 70 EFIARN Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000217806064 241274302 /nfs/dbraw/zinc/27/43/02/241274302.db2.gz JWPFTNWEHLAAQN-OAHLLOKOSA-N 0 0 342.439 2.863 50 70 EFIARN O=C(Nc1ccccc1F)N1CCC(N2C(=O)CSC2=O)CC1 ZINC000217791498 241274929 /nfs/dbraw/zinc/27/49/29/241274929.db2.gz JDBZZYPRPVBBHQ-UHFFFAOYSA-N 0 0 337.376 2.517 50 70 EFIARN O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(F)cc1Cl ZINC000216913908 241224080 /nfs/dbraw/zinc/22/40/80/241224080.db2.gz RGFYPVLZNIGUNS-GFCCVEGCSA-N 0 0 327.783 2.937 50 70 EFIARN COc1ccc(-c2coc3ccc(OCC(N)=O)cc32)cc1OC ZINC000217783256 241275661 /nfs/dbraw/zinc/27/56/61/241275661.db2.gz BQQZKOCFPLMBNQ-UHFFFAOYSA-N 0 0 327.336 2.981 50 70 biogenic EFIARN Cc1csc(CN(C)C(=O)COCc2nc3cc(F)ccc3[nH]2)n1 ZINC000217046328 241233234 /nfs/dbraw/zinc/23/32/34/241233234.db2.gz KHVDXZQICLNTFH-UHFFFAOYSA-N 0 0 348.403 2.642 50 70 EFIARN O=C(c1ccc(-c2ccco2)cc1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000217451741 241250606 /nfs/dbraw/zinc/25/06/06/241250606.db2.gz MXQWGPSKYRPGTF-GOSISDBHSA-N 0 0 326.352 2.661 50 70 EFIARN O=C(c1ccc(Cl)cc1F)N1CCCO[C@H](Cn2cccn2)C1 ZINC000217505542 241255435 /nfs/dbraw/zinc/25/54/35/241255435.db2.gz YWLQJFFWMIAHLN-ZDUSSCGKSA-N 0 0 337.782 2.607 50 70 EFIARN COc1ccc(CC(=O)NCC[C@H](O)c2ccsc2)cc1OC ZINC000217531807 241256443 /nfs/dbraw/zinc/25/64/43/241256443.db2.gz CFOJJXPVVKZRMO-AWEZNQCLSA-N 0 0 335.425 2.548 50 70 EFIARN O=C(NCC[C@@H](O)c1ccsc1)c1ccc(Br)o1 ZINC000217531515 241257279 /nfs/dbraw/zinc/25/72/79/241257279.db2.gz MTVSYCBLRHPKOM-SECBINFHSA-N 0 0 330.203 2.957 50 70 EFIARN O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc(Cl)s1 ZINC000217536359 241257648 /nfs/dbraw/zinc/25/76/48/241257648.db2.gz ISAALQROIFOGPU-VIFPVBQESA-N 0 0 337.875 2.865 50 70 EFIARN O=C(Cn1cc(-c2ccccc2)ncc1=O)NC1CCCCCC1 ZINC000218402914 241319047 /nfs/dbraw/zinc/31/90/47/241319047.db2.gz YUVJQXMSNHPWQO-UHFFFAOYSA-N 0 0 325.412 2.749 50 70 EFIARN Cc1cc(C2CCC2)nc(N2CCn3nc([C@H](O)C4CC4)cc3C2)n1 ZINC000218410019 241319278 /nfs/dbraw/zinc/31/92/78/241319278.db2.gz RLWOYTXGKZHPDO-GOSISDBHSA-N 0 0 339.443 2.713 50 70 EFIARN O=C(N[C@H]1CCC[C@H]1Cc1ccc(F)cc1)c1cc(CO)ccn1 ZINC000218416628 241321612 /nfs/dbraw/zinc/32/16/12/241321612.db2.gz NRHYFUIDCFMZKJ-RDJZCZTQSA-N 0 0 328.387 2.854 50 70 EFIARN CCc1cc(CNC(=O)C[C@@H](C)n2nc(C)c(C(C)=O)c2C)on1 ZINC000218525706 241328543 /nfs/dbraw/zinc/32/85/43/241328543.db2.gz AFARSKHECYRIQD-SNVBAGLBSA-N 0 0 332.404 2.520 50 70 EFIARN O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000218523890 241329194 /nfs/dbraw/zinc/32/91/94/241329194.db2.gz BRSDBJZQNNRMPM-CQSZACIVSA-N 0 0 338.363 2.545 50 70 EFIARN O[C@@H](c1cc2n(n1)CCN(Cc1nccn1C1CC1)C2)c1ccccc1 ZINC000217868969 241280603 /nfs/dbraw/zinc/28/06/03/241280603.db2.gz KPXWPKYMLUWLQP-HXUWFJFHSA-N 0 0 349.438 2.512 50 70 EFIARN Cc1cc(C(=O)N2CCC[C@@H](COc3ccccc3C)C2)cc(=O)[nH]1 ZINC000217983036 241288063 /nfs/dbraw/zinc/28/80/63/241288063.db2.gz UZMCETMEUONMDK-MRXNPFEDSA-N 0 0 340.423 2.923 50 70 EFIARN C[C@](O)(CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2o1 ZINC000217986291 241289905 /nfs/dbraw/zinc/28/99/05/241289905.db2.gz AQTUWISSCSDSPX-IBGZPJMESA-N 0 0 339.347 2.799 50 70 EFIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccc(F)cc1F ZINC000218006770 241290017 /nfs/dbraw/zinc/29/00/17/241290017.db2.gz LHOWIODZDPKPSK-LJQANCHMSA-N 0 0 347.361 2.927 50 70 EFIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)NCc1ccccc1 ZINC000218012796 241291348 /nfs/dbraw/zinc/29/13/48/241291348.db2.gz SIYBRGPBQZNPOP-FQEVSTJZSA-N 0 0 340.423 2.719 50 70 EFIARN CCN(Cc1noc(C2CCC2)n1)C(=O)c1ccc2c(c1)OCO2 ZINC000218055236 241293925 /nfs/dbraw/zinc/29/39/25/241293925.db2.gz WNHHTWZCNDKFQN-UHFFFAOYSA-N 0 0 329.356 2.728 50 70 EFIARN CN(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)Cc1cccnc1 ZINC000218054425 241294205 /nfs/dbraw/zinc/29/42/05/241294205.db2.gz XHSLTDLMYZTNNL-QGZVFWFLSA-N 0 0 339.439 2.932 50 70 EFIARN O=C(NCCc1noc([C@@H]2CCCO2)n1)c1ccc2c(c1)CCCC2 ZINC000218219868 241305709 /nfs/dbraw/zinc/30/57/09/241305709.db2.gz PXJUKRFLIPYXBW-INIZCTEOSA-N 0 0 341.411 2.772 50 70 EFIARN O=C(c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1)N1CCCC1 ZINC000218213496 241305918 /nfs/dbraw/zinc/30/59/18/241305918.db2.gz IOQDUXWVHMILHJ-UHFFFAOYSA-N 0 0 332.787 2.843 50 70 EFIARN COc1cccc2ccn(CCC(=O)N[C@H](CO)c3ccccc3)c21 ZINC000218213272 241306803 /nfs/dbraw/zinc/30/68/03/241306803.db2.gz LWIYALVGNDSPKN-QGZVFWFLSA-N 0 0 338.407 2.890 50 70 EFIARN CC(C)c1nnc(NC(=O)c2cn(C3CC3)c(=O)c3ccccc23)[nH]1 ZINC000218375055 241316992 /nfs/dbraw/zinc/31/69/92/241316992.db2.gz RDWMSULHWMUSQQ-UHFFFAOYSA-N 0 0 337.383 2.830 50 70 EFIARN O=C(CCc1cccnc1)NCCc1nccc(-c2ccccc2)n1 ZINC000218384072 241317569 /nfs/dbraw/zinc/31/75/69/241317569.db2.gz DJDYTULYCCTGCZ-UHFFFAOYSA-N 0 0 332.407 2.830 50 70 EFIARN CN(C)c1ccc(CCC(=O)N2CCC[C@H](c3ccncn3)C2)cc1 ZINC000218583481 241332009 /nfs/dbraw/zinc/33/20/09/241332009.db2.gz MJVMOOXQCICTQP-KRWDZBQOSA-N 0 0 338.455 2.881 50 70 EFIARN CN(C)c1ccc(CCC(=O)N2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000218583421 241332911 /nfs/dbraw/zinc/33/29/11/241332911.db2.gz MJVMOOXQCICTQP-QGZVFWFLSA-N 0 0 338.455 2.881 50 70 EFIARN COC[C@@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2C)[C@@H]2CCO[C@H]12 ZINC000218663052 241337679 /nfs/dbraw/zinc/33/76/79/241337679.db2.gz PODXNCTYBYERPZ-ATGSNQNLSA-N 0 0 343.345 2.794 50 70 EFIARN Cc1nnc([C@@H](C)NC(=O)c2ccc(N3CCCC3)c(Cl)c2)[nH]1 ZINC000218695422 241339099 /nfs/dbraw/zinc/33/90/99/241339099.db2.gz NIXGQXFFZSGCSE-SNVBAGLBSA-N 0 0 333.823 2.858 50 70 EFIARN O=C(Cn1ccnc1-c1ccccc1)N[C@@H]1CC(=O)Nc2ccccc21 ZINC000218715509 241340923 /nfs/dbraw/zinc/34/09/23/241340923.db2.gz RKKQBSPEWIJBRK-QGZVFWFLSA-N 0 0 346.390 2.750 50 70 EFIARN Cc1nc(N)ncc1C(=O)NCC1(c2cccc(F)c2)CCCC1 ZINC000218776931 241345812 /nfs/dbraw/zinc/34/58/12/241345812.db2.gz LKKLRDBSSOPIQZ-UHFFFAOYSA-N 0 0 328.391 2.748 50 70 EFIARN COc1cc2c(c(OC)c1OC)[C@@H](c1cccc(O)c1)CC(=O)O2 ZINC000218095426 286252182 /nfs/dbraw/zinc/25/21/82/286252182.db2.gz VAIYEESETSUYQG-GFCCVEGCSA-N 0 0 330.336 2.859 50 70 biogenic EFIARN CC(=O)c1ccc2c(c1O)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000217841068 277114523 /nfs/dbraw/zinc/11/45/23/277114523.db2.gz POJKCJZQSADZHM-ZDUSSCGKSA-N 0 0 349.342 2.877 50 70 biogenic EFIARN O=C1C[C@H](c2ccc3c(c2)OCCO3)c2cc3c(cc2O1)OCO3 ZINC000217859920 280273742 /nfs/dbraw/zinc/27/37/42/280273742.db2.gz WGGGZMQJKARBON-LLVKDONJSA-N 0 0 326.304 2.628 50 70 biogenic EFIARN COc1cccc2cc(C(=O)N[C@@H]3CCN(c4ccccn4)C3)oc21 ZINC000161218199 473217938 /nfs/dbraw/zinc/21/79/38/473217938.db2.gz OYICJDVMKGEVAO-CQSZACIVSA-N 0 0 337.379 2.845 50 70 EFIARN COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1O ZINC000217611568 474143018 /nfs/dbraw/zinc/14/30/18/474143018.db2.gz GXQRNADCXWFYCR-LBPRGKRZSA-N 0 0 328.320 2.750 50 70 biogenic EFIARN Cc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(C)oc(=O)c43)cc2c1 ZINC000217990134 474143270 /nfs/dbraw/zinc/14/32/70/474143270.db2.gz VVZDOMMULBULHS-LBPRGKRZSA-N 0 0 337.331 2.539 50 70 biogenic EFIARN COc1cc(OC)cc(OCCCN2C(=O)c3ccccc3C2=O)c1 ZINC000217827227 474143591 /nfs/dbraw/zinc/14/35/91/474143591.db2.gz ZDPQFYCLPSZWEM-UHFFFAOYSA-N 0 0 341.363 2.769 50 70 EFIARN Cc1nc2ccccn2c1C(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218220859 474145381 /nfs/dbraw/zinc/14/53/81/474145381.db2.gz MJDPPIUQBAQDDQ-UHFFFAOYSA-N 0 0 339.399 2.518 50 70 EFIARN CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1 ZINC000218281685 474145427 /nfs/dbraw/zinc/14/54/27/474145427.db2.gz FYVYUIDNXAOPDC-ZWNOBZJWSA-N 0 0 339.461 2.689 50 70 EFIARN Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CC1=CCCC1 ZINC000218337942 474145513 /nfs/dbraw/zinc/14/55/13/474145513.db2.gz QQMBYPXHSDZNDR-IAGOWNOFSA-N 0 0 334.416 2.582 50 70 EFIARN CC1(C)OC(=O)C[C@@H]1C(=O)NCCc1nc(-c2ccccc2)cs1 ZINC000218473272 534986098 /nfs/dbraw/zinc/98/60/98/534986098.db2.gz YSVPMDZEFWICOI-CYBMUJFWSA-N 0 0 344.436 2.811 50 70 EFIARN COc1ccc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)cc1F ZINC000217575371 536742320 /nfs/dbraw/zinc/74/23/20/536742320.db2.gz YQHHWASPXHEWDN-QGZVFWFLSA-N 0 0 342.370 2.789 50 70 EFIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(C)=O)c(O)c1 ZINC000217885362 537023675 /nfs/dbraw/zinc/02/36/75/537023675.db2.gz KFIXLZPWEOHSLH-KRWDZBQOSA-N 0 0 343.335 2.893 50 70 biogenic EFIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(O)cc1 ZINC000217617108 537024294 /nfs/dbraw/zinc/02/42/94/537024294.db2.gz JCAKQGBTPOBBLW-AWEZNQCLSA-N 0 0 343.335 2.650 50 70 biogenic EFIARN COC(=O)CS[C@@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000217563727 241258717 /nfs/dbraw/zinc/25/87/17/241258717.db2.gz OSYBRAQPDFFPGX-KTRBRXNASA-N 0 0 339.844 2.860 50 70 EFIARN Cc1ccc2[nH]c([C@H](NC(=O)c3cnc(N)nc3C)C(C)C)nc2c1 ZINC000217637105 241265826 /nfs/dbraw/zinc/26/58/26/241265826.db2.gz JIOSPNOBHDGKLL-OAHLLOKOSA-N 0 0 338.415 2.679 50 70 EFIARN Cc1ccc2[nH]c([C@@H](NC(=O)c3cnc(N)nc3C)C(C)C)nc2c1 ZINC000217637016 241266084 /nfs/dbraw/zinc/26/60/84/241266084.db2.gz JIOSPNOBHDGKLL-HNNXBMFYSA-N 0 0 338.415 2.679 50 70 EFIARN CN(C)[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1F ZINC000217672658 241267342 /nfs/dbraw/zinc/26/73/42/241267342.db2.gz PLFGYGWDVMOIQD-QGZVFWFLSA-N 0 0 330.407 2.558 50 70 EFIARN O=C(NCCc1nc(C2CC2)no1)c1ccc(N2CCCC2)cc1 ZINC000217688469 241267760 /nfs/dbraw/zinc/26/77/60/241267760.db2.gz GPNOYKVPXBVDKX-UHFFFAOYSA-N 0 0 326.400 2.520 50 70 EFIARN COc1ccccc1[C@@H]1CCCN1C(=O)CN(C)Cc1cccnc1 ZINC000217694583 241267953 /nfs/dbraw/zinc/26/79/53/241267953.db2.gz WTNAEVPEYCZBJS-SFHVURJKSA-N 0 0 339.439 2.886 50 70 EFIARN OCc1cc2n(n1)CCCN(Cc1c[nH]nc1C1CCCCC1)C2 ZINC000217667981 241268023 /nfs/dbraw/zinc/26/80/23/241268023.db2.gz AZVYOAWAENKFLW-UHFFFAOYSA-N 0 0 329.448 2.552 50 70 EFIARN COc1ccc(F)c(F)c1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000217734234 241272904 /nfs/dbraw/zinc/27/29/04/241272904.db2.gz GLMLBLCHRCUGLS-UHFFFAOYSA-N 0 0 335.285 2.919 50 70 EFIARN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N(C)Cc1cc[nH]n1)O2 ZINC000217765605 241273034 /nfs/dbraw/zinc/27/30/34/241273034.db2.gz RVKWQUMEADPXKG-IBGZPJMESA-N 0 0 343.427 2.783 50 70 EFIARN Cc1cc(N)n(CC(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000216931897 241225958 /nfs/dbraw/zinc/22/59/58/241225958.db2.gz YFPAOASQNSWVLX-CQSZACIVSA-N 0 0 332.835 2.833 50 70 EFIARN OCc1cc2n(n1)CCN(Cc1cccc(F)c1C(F)(F)F)C2 ZINC000217063488 241235304 /nfs/dbraw/zinc/23/53/04/241235304.db2.gz RXMPJMMTASSXHC-UHFFFAOYSA-N 0 0 329.297 2.549 50 70 EFIARN COc1cccc(F)c1C(=O)N1CCN(C)[C@@H](c2ccccc2)C1 ZINC000217064360 241236866 /nfs/dbraw/zinc/23/68/66/241236866.db2.gz QAMLSYAFUNJHDK-MRXNPFEDSA-N 0 0 328.387 2.963 50 70 EFIARN O=C(CO[C@H](c1ccccc1)C(F)(F)F)N1CCc2n[nH]cc2C1 ZINC000217176386 241238089 /nfs/dbraw/zinc/23/80/89/241238089.db2.gz FMNRUSMVBSHLTD-OAHLLOKOSA-N 0 0 339.317 2.615 50 70 EFIARN Cc1ncccc1CN1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000217419026 241248280 /nfs/dbraw/zinc/24/82/80/241248280.db2.gz OAZYICMPTLMFOS-HXUWFJFHSA-N 0 0 334.423 2.684 50 70 EFIARN O=C(NCc1ccccc1)C(=O)NCC1(c2ccsc2)CCCC1 ZINC000217484906 241253496 /nfs/dbraw/zinc/25/34/96/241253496.db2.gz VYWIXXNICRYJCB-UHFFFAOYSA-N 0 0 342.464 2.993 50 70 EFIARN CC(=O)OC(C)(C)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217509145 241254852 /nfs/dbraw/zinc/25/48/52/241254852.db2.gz OTVFTADRQUZAEZ-QGZVFWFLSA-N 0 0 335.425 2.567 50 70 EFIARN COc1ccc(CC(=O)NCC[C@@H](O)c2ccsc2)cc1OC ZINC000217531890 241256624 /nfs/dbraw/zinc/25/66/24/241256624.db2.gz CFOJJXPVVKZRMO-CQSZACIVSA-N 0 0 335.425 2.548 50 70 EFIARN O=S(=O)(NCC[C@@H](O)c1ccsc1)c1ccccc1Cl ZINC000217536058 241257783 /nfs/dbraw/zinc/25/77/83/241257783.db2.gz IRTOEUIHPRUWFM-GFCCVEGCSA-N 0 0 331.846 2.804 50 70 EFIARN Cc1cc(C(=O)N[C@H](CCn2cncn2)c2ccccc2)c(C)n1C ZINC000218471080 241323542 /nfs/dbraw/zinc/32/35/42/241323542.db2.gz IFULRNFSBWXSAR-GOSISDBHSA-N 0 0 337.427 2.795 50 70 EFIARN O=C(COc1ccc2ccccc2c1)NCC[C@@H](O)C1CCOCC1 ZINC000217920103 241283235 /nfs/dbraw/zinc/28/32/35/241283235.db2.gz QJNCFNPUVINZIT-LJQANCHMSA-N 0 0 343.423 2.512 50 70 EFIARN Cc1ccnn1CC(=O)N1CCCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000217931613 241286321 /nfs/dbraw/zinc/28/63/21/241286321.db2.gz TUZSCWZRFQNAIF-MRXNPFEDSA-N 0 0 341.390 2.961 50 70 EFIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)/C=C/c1ccco1 ZINC000218005518 241289624 /nfs/dbraw/zinc/28/96/24/241289624.db2.gz UWXCBXKQOGNSNU-XSBJJCPUSA-N 0 0 327.380 2.642 50 70 EFIARN C[C@](O)(CNS(=O)(=O)Cc1ccccc1)c1cc2ccccc2o1 ZINC000217996985 241289721 /nfs/dbraw/zinc/28/97/21/241289721.db2.gz QSFPAQDMRNIKJW-SFHVURJKSA-N 0 0 345.420 2.760 50 70 EFIARN O=C(c1scc2c1CCCC2)N1CCCN(c2ncccn2)CC1 ZINC000218169955 241303792 /nfs/dbraw/zinc/30/37/92/241303792.db2.gz TXRVZCGMPDNOKF-UHFFFAOYSA-N 0 0 342.468 2.769 50 70 EFIARN O=C(NCCc1ccccn1)c1cnc2cc(Cl)ccc2c1O ZINC000218252993 241308535 /nfs/dbraw/zinc/30/85/35/241308535.db2.gz KJKCMSAXYBWIQS-UHFFFAOYSA-N 0 0 327.771 2.961 50 70 EFIARN COCc1noc(CNC(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000218292095 241312105 /nfs/dbraw/zinc/31/21/05/241312105.db2.gz QBYUBBLBNOOWDU-UHFFFAOYSA-N 0 0 349.696 2.818 50 70 EFIARN Cc1nonc1CC(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000218308461 241313777 /nfs/dbraw/zinc/31/37/77/241313777.db2.gz XKKIQHQPSADXPT-QGZVFWFLSA-N 0 0 342.786 2.875 50 70 EFIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1cccc(O)c1 ZINC000218547603 241331402 /nfs/dbraw/zinc/33/14/02/241331402.db2.gz KCBOSUULZZFLES-MRXNPFEDSA-N 0 0 342.395 2.602 50 70 EFIARN O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1ccn(C(F)F)n1 ZINC000218620034 241333962 /nfs/dbraw/zinc/33/39/62/241333962.db2.gz RKOJVSPRNOGGRD-CQSZACIVSA-N 0 0 331.326 2.646 50 70 EFIARN CO[C@@H]1CCOC[C@H]1NC(=O)c1oc(COc2ccccc2)cc1C ZINC000218704424 241338045 /nfs/dbraw/zinc/33/80/45/241338045.db2.gz DUBBYRRWLDMEOJ-IAGOWNOFSA-N 0 0 345.395 2.701 50 70 EFIARN CCOCCOc1ccccc1C(=O)N(C)[C@H](C)c1ccncn1 ZINC000218691627 241338833 /nfs/dbraw/zinc/33/88/33/241338833.db2.gz MEKNXKMLBDIFCG-CQSZACIVSA-N 0 0 329.400 2.725 50 70 EFIARN Cc1nc2ccccn2c1C(=O)NCCc1noc(C2CCCC2)n1 ZINC000218709191 241339720 /nfs/dbraw/zinc/33/97/20/241339720.db2.gz ZFQGTTFYRBNBGK-UHFFFAOYSA-N 0 0 339.399 2.656 50 70 EFIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1ccc(F)cc1F)C2 ZINC000218717701 241341200 /nfs/dbraw/zinc/34/12/00/241341200.db2.gz ZWIFPGVVYARXKR-GFCCVEGCSA-N 0 0 349.381 2.580 50 70 EFIARN O=C1C[C@@H](c2coc3ccccc3c2=O)c2cc3c(cc2O1)OCO3 ZINC000217730040 296345465 /nfs/dbraw/zinc/34/54/65/296345465.db2.gz ZZMJBHZFGXLLHX-LLVKDONJSA-N 0 0 336.299 2.963 50 70 biogenic EFIARN COc1ccc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1O ZINC000217708251 286377364 /nfs/dbraw/zinc/37/73/64/286377364.db2.gz IILVQZXDTXLFGF-GFCCVEGCSA-N 0 0 338.315 2.948 50 70 biogenic EFIARN CSc1c(C#N)c(-c2ccc(S(=O)(=O)Cl)s2)nn1C ZINC000095676602 264922611 /nfs/dbraw/zinc/92/26/11/264922611.db2.gz VYTOKBLGOHNUJZ-UHFFFAOYSA-N 0 0 333.847 2.670 50 70 EFIARN Cc1nc(N)ncc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000217202987 302597767 /nfs/dbraw/zinc/59/77/67/302597767.db2.gz HXNOCPFTFUPHCL-OAHLLOKOSA-N 0 0 336.399 2.611 50 70 EFIARN Cn1nc(C(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c2c1CCCC2 ZINC000218357287 303042694 /nfs/dbraw/zinc/04/26/94/303042694.db2.gz HOLUGDJYAWEYLV-WFEDQXDTSA-N 0 0 343.471 2.622 50 70 EFIARN O=C(COc1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000217511438 474142948 /nfs/dbraw/zinc/14/29/48/474142948.db2.gz FRZMVSQWSIMZSN-UHFFFAOYSA-N 0 0 337.375 2.754 50 70 EFIARN COc1ccccc1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000217511558 474143505 /nfs/dbraw/zinc/14/35/05/474143505.db2.gz HRWIFYDIWUYHKD-UHFFFAOYSA-N 0 0 337.375 2.997 50 70 EFIARN CC(=O)N[C@H]1C[C@H](c2cc(NCCn3ccc4ccccc43)ncn2)C1 ZINC000218771368 534671631 /nfs/dbraw/zinc/67/16/31/534671631.db2.gz UAEAWYGABLNWRV-CALCHBBNSA-N 0 0 349.438 2.926 50 70 EFIARN CC(C)c1nccn1CCCNC(=O)[C@@H]1CCc2ccccc2O1 ZINC000218746270 534916857 /nfs/dbraw/zinc/91/68/57/534916857.db2.gz CVCPQPFFFYCXCH-KRWDZBQOSA-N 0 0 327.428 2.907 50 70 EFIARN CC[C@@H]1[C@@H](NC(=O)c2ccc3nc(C)c(C)nc3c2)[C@@H]2CCO[C@H]12 ZINC000218452426 535957875 /nfs/dbraw/zinc/95/78/75/535957875.db2.gz ICLYYNYJVWAVQX-LTCOOKNTSA-N 0 0 325.412 2.790 50 70 EFIARN CN(Cc1[nH]nc2c1CCC2)C(=O)c1cc(-c2cccs2)nn1C ZINC000218090235 536485918 /nfs/dbraw/zinc/48/59/18/536485918.db2.gz GVXCDZZOGPWMIH-UHFFFAOYSA-N 0 0 341.440 2.633 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000217556250 241259133 /nfs/dbraw/zinc/25/91/33/241259133.db2.gz IUEPOQNAJZKZBG-GFCCVEGCSA-N 0 0 347.358 2.826 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000217563985 241259201 /nfs/dbraw/zinc/25/92/01/241259201.db2.gz XJRIFJOHWJNCDU-JTQLQIEISA-N 0 0 345.823 2.529 50 70 EFIARN O=C(Cc1ccc(F)cc1)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217670830 241267270 /nfs/dbraw/zinc/26/72/70/241267270.db2.gz QXCIPPQRMYDTBC-UHFFFAOYSA-N 0 0 336.370 2.710 50 70 EFIARN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N(C)Cc1cc[nH]n1)O2 ZINC000217765692 241273117 /nfs/dbraw/zinc/27/31/17/241273117.db2.gz RVKWQUMEADPXKG-LJQANCHMSA-N 0 0 343.427 2.783 50 70 EFIARN CSCC[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000217798607 241275645 /nfs/dbraw/zinc/27/56/45/241275645.db2.gz OEVNIHRIJNVTOQ-HNNXBMFYSA-N 0 0 337.485 2.563 50 70 biogenic EFIARN CN(CCc1ccncc1)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000217075130 241235997 /nfs/dbraw/zinc/23/59/97/241235997.db2.gz YFOVSYCTOHJVDI-ZWKOTPCHSA-N 0 0 343.471 2.511 50 70 EFIARN OCc1cc2n(n1)CCN(Cc1ccccc1OCc1ccccc1)C2 ZINC000217342078 241243971 /nfs/dbraw/zinc/24/39/71/241243971.db2.gz KTOJQCVIALVWSM-UHFFFAOYSA-N 0 0 349.434 2.970 50 70 EFIARN OC[C@H](O)c1cc2n(n1)CCN(Cc1ccc(C3CCCC3)s1)C2 ZINC000217411767 241248152 /nfs/dbraw/zinc/24/81/52/241248152.db2.gz WBAWKJZTOSFIIM-KRWDZBQOSA-N 0 0 347.484 2.644 50 70 EFIARN Cc1nn(C)c(C)c1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217509522 241254433 /nfs/dbraw/zinc/25/44/33/241254433.db2.gz CQFSZWPYEJVEHU-GOSISDBHSA-N 0 0 343.452 2.889 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000217554160 241256562 /nfs/dbraw/zinc/25/65/62/241256562.db2.gz BPEPZWJFHALQIA-SNVBAGLBSA-N 0 0 331.796 2.600 50 70 EFIARN O=C(NCC[C@H](O)c1ccsc1)c1ccc(Br)o1 ZINC000217531425 241256865 /nfs/dbraw/zinc/25/68/65/241256865.db2.gz MTVSYCBLRHPKOM-VIFPVBQESA-N 0 0 330.203 2.957 50 70 EFIARN COc1ccc(CCNC(=O)NCC[C@H](O)c2ccsc2)cc1 ZINC000217546671 241257774 /nfs/dbraw/zinc/25/77/74/241257774.db2.gz CARMBRIJAAVJIS-INIZCTEOSA-N 0 0 334.441 2.722 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)c2ccc3nccc(C)c3c2)C1 ZINC000217560806 241258326 /nfs/dbraw/zinc/25/83/26/241258326.db2.gz FHJOZZWYSJDNBU-AWEZNQCLSA-N 0 0 344.436 2.664 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)CCc2ccc(F)c(C)c2)C1 ZINC000217561647 241258344 /nfs/dbraw/zinc/25/83/44/241258344.db2.gz QAGZTOULXMHJNN-AWEZNQCLSA-N 0 0 339.432 2.574 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000217563910 241258360 /nfs/dbraw/zinc/25/83/60/241258360.db2.gz XJRIFJOHWJNCDU-SNVBAGLBSA-N 0 0 345.823 2.529 50 70 EFIARN CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000218387174 241320128 /nfs/dbraw/zinc/32/01/28/241320128.db2.gz GRDNGJUDASLGBL-SJLPKXTDSA-N 0 0 326.396 2.646 50 70 EFIARN CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(F)cc21)c1nccn1C ZINC000218429094 241321736 /nfs/dbraw/zinc/32/17/36/241321736.db2.gz KHHXFTVIPWGINY-MRXNPFEDSA-N 0 0 342.374 2.528 50 70 EFIARN O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc2[nH]ccc21 ZINC000218443355 241322370 /nfs/dbraw/zinc/32/23/70/241322370.db2.gz ZDWCEGAHRILVON-UHFFFAOYSA-N 0 0 332.363 2.976 50 70 EFIARN Cc1cc(C(=O)N[C@@H](CCn2cncn2)c2ccccc2)c(C)n1C ZINC000218471024 241324662 /nfs/dbraw/zinc/32/46/62/241324662.db2.gz IFULRNFSBWXSAR-SFHVURJKSA-N 0 0 337.427 2.795 50 70 EFIARN Cc1ccsc1C(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1 ZINC000218474750 241325791 /nfs/dbraw/zinc/32/57/91/241325791.db2.gz PNQYTFOMZJMECB-HUUCEWRRSA-N 0 0 332.425 2.556 50 70 EFIARN COc1cccc(NC(=O)NCCn2ccnc2-c2ccccn2)c1 ZINC000217862579 241279972 /nfs/dbraw/zinc/27/99/72/241279972.db2.gz WVTHQCNDRVMRKV-UHFFFAOYSA-N 0 0 337.383 2.775 50 70 EFIARN C[C@H](c1nccs1)N(C)C(=O)c1[nH]nc(N)c1-c1ccccc1 ZINC000217895287 241280998 /nfs/dbraw/zinc/28/09/98/241280998.db2.gz VKVZQBAVPJMSPQ-SNVBAGLBSA-N 0 0 327.413 2.949 50 70 EFIARN O=C(CCC(=O)N1CCCCCC1)NCc1nc2cc(F)ccc2[nH]1 ZINC000217953956 241285421 /nfs/dbraw/zinc/28/54/21/241285421.db2.gz QACNUMHSZBUIGJ-UHFFFAOYSA-N 0 0 346.406 2.501 50 70 EFIARN Cn1cccc1[C@H](O)CCNC(=O)c1cc(-c2ccccc2)on1 ZINC000217935592 241286629 /nfs/dbraw/zinc/28/66/29/241286629.db2.gz SIEKOHHPDPHLGT-MRXNPFEDSA-N 0 0 325.368 2.534 50 70 EFIARN C[C@@](O)(CNC(=O)c1noc2c1CCCC2)c1cc2ccccc2o1 ZINC000217995697 241289600 /nfs/dbraw/zinc/28/96/00/241289600.db2.gz ONBIEMAZBWWVFE-LJQANCHMSA-N 0 0 340.379 2.937 50 70 EFIARN Cc1nn(CCC(=O)NCCc2nc3c(s2)CCC3)c(C)c1C ZINC000218561930 241329852 /nfs/dbraw/zinc/32/98/52/241329852.db2.gz BWZSJTOIRABWEQ-UHFFFAOYSA-N 0 0 332.473 2.503 50 70 EFIARN COc1ccc(-n2ncc(C(=O)N3CCCC3)c2-n2cccc2)cc1 ZINC000218248367 241307414 /nfs/dbraw/zinc/30/74/14/241307414.db2.gz ZRMWSMQLCZAGSE-UHFFFAOYSA-N 0 0 336.395 2.908 50 70 EFIARN Cc1nc2c(s1)CCC[C@@H]2NC(=O)CC1=CSC2=NCCCN12 ZINC000218278407 241310115 /nfs/dbraw/zinc/31/01/15/241310115.db2.gz CIBVNIIAWWRVKJ-LBPRGKRZSA-N 0 0 348.497 2.985 50 70 EFIARN O=C(CC(F)(F)F)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000218283497 241310446 /nfs/dbraw/zinc/31/04/46/241310446.db2.gz TUDWSRSJUGFDEL-LLVKDONJSA-N 0 0 341.289 2.614 50 70 EFIARN O=C(Cc1ccc(O)c(F)c1)NCc1ccccc1-n1ccnc1 ZINC000218285259 241311051 /nfs/dbraw/zinc/31/10/51/241311051.db2.gz CNVLPKRYHYXQNL-UHFFFAOYSA-N 0 0 325.343 2.576 50 70 EFIARN CC(C)[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2n1C ZINC000218324466 241315632 /nfs/dbraw/zinc/31/56/32/241315632.db2.gz KRINWVPSJZCWLB-INIZCTEOSA-N 0 0 337.427 2.912 50 70 EFIARN Cn1cnc2ccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)cc2c1=O ZINC000218372292 241317992 /nfs/dbraw/zinc/31/79/92/241317992.db2.gz WOBGDZCUHYSJLG-UHFFFAOYSA-N 0 0 345.362 2.576 50 70 EFIARN Cc1nc2c(c(N[C@@H]3CCOC[C@H]3OCc3cscn3)n1)CCC2 ZINC000218674403 241336054 /nfs/dbraw/zinc/33/60/54/241336054.db2.gz JSMDEQRNWCDOSW-HZPDHXFCSA-N 0 0 346.456 2.516 50 70 EFIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCOc1ccccc1 ZINC000218676498 241336566 /nfs/dbraw/zinc/33/65/66/241336566.db2.gz CLDHMCRUHSAMSU-MSOLQXFVSA-N 0 0 333.428 2.712 50 70 EFIARN O=C(Cc1cccc(C(F)(F)F)c1)NCCn1cc(Cl)cn1 ZINC000218645006 241337278 /nfs/dbraw/zinc/33/72/78/241337278.db2.gz KJICHCTVFWAXLL-UHFFFAOYSA-N 0 0 331.725 2.914 50 70 EFIARN CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1 ZINC000218281814 276036551 /nfs/dbraw/zinc/03/65/51/276036551.db2.gz FYVYUIDNXAOPDC-GXFFZTMASA-N 0 0 339.461 2.689 50 70 EFIARN Cc1noc(C)c1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000217530014 474144081 /nfs/dbraw/zinc/14/40/81/474144081.db2.gz ZGJIZJQNYJOOMF-UHFFFAOYSA-N 0 0 326.352 2.593 50 70 EFIARN Cc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(C)oc(=O)c43)cc2c1 ZINC000217990215 474144085 /nfs/dbraw/zinc/14/40/85/474144085.db2.gz VVZDOMMULBULHS-GFCCVEGCSA-N 0 0 337.331 2.539 50 70 biogenic EFIARN CC[C@@H](NC(=O)c1nc(N)nc2c1CCCC2)c1cc(C)ccn1 ZINC000218631777 535802302 /nfs/dbraw/zinc/80/23/02/535802302.db2.gz PVJFXKLPIRIEHF-CYBMUJFWSA-N 0 0 325.416 2.522 50 70 EFIARN COCCc1nc(CNC(=O)c2cc3c(s2)CCCCC3)no1 ZINC000218001271 536836543 /nfs/dbraw/zinc/83/65/43/536836543.db2.gz PXDLFFOJYXZQNJ-UHFFFAOYSA-N 0 0 335.429 2.519 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000217559907 241259764 /nfs/dbraw/zinc/25/97/64/241259764.db2.gz DANFUYZPQPSZFO-AWEZNQCLSA-N 0 0 341.860 2.780 50 70 EFIARN O=C(CCc1cc(Cl)no1)NCc1cnn(Cc2ccccc2)c1 ZINC000217635120 241265526 /nfs/dbraw/zinc/26/55/26/241265526.db2.gz MWMMSTMVVYBENT-UHFFFAOYSA-N 0 0 344.802 2.822 50 70 EFIARN Cc1ccc2c(c1)c(=O)c(C(=O)N(C)CC[C@@H]1CCCCO1)cn2C ZINC000217720448 241271413 /nfs/dbraw/zinc/27/14/13/241271413.db2.gz GTGAPSDKEVWGBV-HNNXBMFYSA-N 0 0 342.439 2.878 50 70 EFIARN Cc1n[nH]c(C)c1CCN(C)C(=O)CCC(=O)NC1CCCCCC1 ZINC000216961453 241228171 /nfs/dbraw/zinc/22/81/71/241228171.db2.gz UEFKPTNTGDFZOK-UHFFFAOYSA-N 0 0 348.491 2.647 50 70 EFIARN Cc1nnc(CN(C)C(=O)CO[C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000217023706 241232986 /nfs/dbraw/zinc/23/29/86/241232986.db2.gz NQKKESZHQXQEGL-AWEZNQCLSA-N 0 0 343.305 2.657 50 70 EFIARN Cc1nnc([C@@H]2CCCN2C(=O)c2cc(-c3ccsc3)n[nH]2)[nH]1 ZINC000217426379 241248956 /nfs/dbraw/zinc/24/89/56/241248956.db2.gz WHUIYDIOLCBWMB-ZDUSSCGKSA-N 0 0 328.401 2.542 50 70 EFIARN OC[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(C3CCCC3)s1)C2 ZINC000217411677 241248973 /nfs/dbraw/zinc/24/89/73/241248973.db2.gz WBAWKJZTOSFIIM-QGZVFWFLSA-N 0 0 347.484 2.644 50 70 EFIARN Cc1nc(NCc2noc(-c3ccccc3)n2)cc(C2CC(O)C2)n1 ZINC000218393058 241320004 /nfs/dbraw/zinc/32/00/04/241320004.db2.gz XNKGPFZBKIAARL-UHFFFAOYSA-N 0 0 337.383 2.685 50 70 EFIARN CC(=O)Nc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cc1 ZINC000218410291 241320468 /nfs/dbraw/zinc/32/04/68/241320468.db2.gz BKCTURVWGXAONR-UHFFFAOYSA-N 0 0 341.411 2.981 50 70 EFIARN O=C(CC1(n2cccc2)CCOCC1)Nc1nc2c(s1)CCC2 ZINC000218424437 241322070 /nfs/dbraw/zinc/32/20/70/241322070.db2.gz ZECIBKMYOCKIJZ-UHFFFAOYSA-N 0 0 331.441 2.968 50 70 EFIARN O=C(CCOc1ccccc1)N[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000218413922 241322667 /nfs/dbraw/zinc/32/26/67/241322667.db2.gz HLBXGWZEGRFORK-GOSISDBHSA-N 0 0 339.439 2.631 50 70 EFIARN O=C(NCCn1ccc2ccccc21)c1cc(-c2ccncc2)n[nH]1 ZINC000218458167 241324361 /nfs/dbraw/zinc/32/43/61/241324361.db2.gz FYJUYEPQZRIYKQ-UHFFFAOYSA-N 0 0 331.379 2.856 50 70 EFIARN COCC[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000218481247 241326734 /nfs/dbraw/zinc/32/67/34/241326734.db2.gz MCJRXVAPZJMYOW-AWEZNQCLSA-N 0 0 331.334 2.512 50 70 EFIARN O=C(NCC[C@@H](O)C1CCOCC1)c1cc(Cl)ccc1Cl ZINC000217919731 241282997 /nfs/dbraw/zinc/28/29/97/241282997.db2.gz YYXLWMDNWBUBCK-CQSZACIVSA-N 0 0 332.227 2.901 50 70 EFIARN Cc1cc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)on1 ZINC000217942839 241285080 /nfs/dbraw/zinc/28/50/80/241285080.db2.gz KOEVVVDIQIXYND-LJQANCHMSA-N 0 0 338.411 2.667 50 70 EFIARN Cn1cccc1[C@@H](O)CCNC(=O)c1cc(-c2ccccc2)on1 ZINC000217935672 241285798 /nfs/dbraw/zinc/28/57/98/241285798.db2.gz SIEKOHHPDPHLGT-INIZCTEOSA-N 0 0 325.368 2.534 50 70 EFIARN C[C@](O)(CNS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000217997171 241290295 /nfs/dbraw/zinc/29/02/95/241290295.db2.gz SLGVPXABQRHJRQ-KRWDZBQOSA-N 0 0 349.383 2.758 50 70 EFIARN O=C(CCc1cccnc1)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000218050191 241293209 /nfs/dbraw/zinc/29/32/09/241293209.db2.gz VEXAOZAPKRIFNP-GOSISDBHSA-N 0 0 325.412 2.617 50 70 EFIARN C[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1nnc(N)s1 ZINC000218085564 241296159 /nfs/dbraw/zinc/29/61/59/241296159.db2.gz YJSBQVSTRDPCIT-ZETCQYMHSA-N 0 0 330.335 2.559 50 70 EFIARN COCc1noc(CCNC(=O)c2ccccc2-c2ccccc2)n1 ZINC000218129508 241300713 /nfs/dbraw/zinc/30/07/13/241300713.db2.gz RDVCRCKRDFZTNY-UHFFFAOYSA-N 0 0 337.379 2.856 50 70 EFIARN Cc1nonc1CC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000218308421 241313940 /nfs/dbraw/zinc/31/39/40/241313940.db2.gz XKKIQHQPSADXPT-KRWDZBQOSA-N 0 0 342.786 2.875 50 70 EFIARN CC(C)c1nc2ccccc2n1CCNC(=O)[C@@H]1CC(=O)OC1(C)C ZINC000218337130 241315606 /nfs/dbraw/zinc/31/56/06/241315606.db2.gz JTVUEYPQBNNJHD-ZDUSSCGKSA-N 0 0 343.427 2.618 50 70 EFIARN CC[C@H](O)c1cc2n(n1)CCN(Cc1cc3c(cc1Cl)OCO3)C2 ZINC000218346660 241315617 /nfs/dbraw/zinc/31/56/17/241315617.db2.gz KKNIIBCTLBCWOH-HNNXBMFYSA-N 0 0 349.818 2.724 50 70 EFIARN COc1ccc2[nH]c(CNC(=O)CSc3ccncc3)cc2c1 ZINC000218319041 241316384 /nfs/dbraw/zinc/31/63/84/241316384.db2.gz FEEFPJWENBCNCX-UHFFFAOYSA-N 0 0 327.409 2.980 50 70 EFIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1cccc(O)c1 ZINC000218547514 241331339 /nfs/dbraw/zinc/33/13/39/241331339.db2.gz KCBOSUULZZFLES-INIZCTEOSA-N 0 0 342.395 2.602 50 70 EFIARN O=C(NCc1nc(-c2ccc(F)cc2)cs1)c1cccc(=O)[nH]1 ZINC000218706194 241339351 /nfs/dbraw/zinc/33/93/51/241339351.db2.gz ZRYCUAPUOYEPND-UHFFFAOYSA-N 0 0 329.356 2.568 50 70 EFIARN O=C1C[C@H](c2coc3ccccc3c2=O)c2cc3c(cc2O1)OCO3 ZINC000217730137 296349979 /nfs/dbraw/zinc/34/99/79/296349979.db2.gz ZZMJBHZFGXLLHX-NSHDSACASA-N 0 0 336.299 2.963 50 70 biogenic EFIARN Cc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)nc(N)n1 ZINC000217186768 280322533 /nfs/dbraw/zinc/32/25/33/280322533.db2.gz FKLAUFSSNNKQIO-UHFFFAOYSA-N 0 0 337.383 2.528 50 70 EFIARN COc1cc2c(c(OC)c1OC)[C@H](c1cccc(O)c1)CC(=O)O2 ZINC000218095339 295031584 /nfs/dbraw/zinc/03/15/84/295031584.db2.gz VAIYEESETSUYQG-LBPRGKRZSA-N 0 0 330.336 2.859 50 70 biogenic EFIARN COc1cccc2cc(C(=O)N[C@H]3CCN(c4ccccn4)C3)oc21 ZINC000161218332 473217963 /nfs/dbraw/zinc/21/79/63/473217963.db2.gz OYICJDVMKGEVAO-AWEZNQCLSA-N 0 0 337.379 2.845 50 70 EFIARN Cc1noc(C)c1CC(=O)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000217529903 474143701 /nfs/dbraw/zinc/14/37/01/474143701.db2.gz DAJFFFWLXNOJLO-UHFFFAOYSA-N 0 0 340.379 2.522 50 70 EFIARN CN(Cc1cccc2ncccc12)C(=O)CN1CCCCCC1=O ZINC000217466308 536477836 /nfs/dbraw/zinc/47/78/36/536477836.db2.gz RNMCABUECFANBI-UHFFFAOYSA-N 0 0 325.412 2.596 50 70 EFIARN CC[C@H](C)[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2[nH]1 ZINC000218317814 535974254 /nfs/dbraw/zinc/97/42/54/535974254.db2.gz XMKTWRFZWKBLCB-ZBEGNZNMSA-N 0 0 349.398 2.518 50 70 EFIARN COC(=O)C[C@@H](c1oc(CN2CCCCC2)cc(=O)c1O)C(C)C ZINC000217772055 536313108 /nfs/dbraw/zinc/31/31/08/536313108.db2.gz VGINAJPXGXYONA-CQSZACIVSA-N 0 0 337.416 2.634 50 70 biogenic EFIARN CN(CCc1ncon1)C(=O)C[C@H](c1ccco1)c1ccccc1 ZINC000217633926 241266385 /nfs/dbraw/zinc/26/63/85/241266385.db2.gz VYFJPQCMSNKYHC-HNNXBMFYSA-N 0 0 325.368 2.886 50 70 EFIARN COc1cc2c(cc1CN1CCCn3nc([C@@H](C)O)cc3C1)CCC2 ZINC000217681386 241268740 /nfs/dbraw/zinc/26/87/40/241268740.db2.gz FLUMLCGGJXCKHG-CQSZACIVSA-N 0 0 341.455 2.840 50 70 EFIARN COc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000217730674 241272995 /nfs/dbraw/zinc/27/29/95/241272995.db2.gz KNAUAECIKJZIBT-LBPRGKRZSA-N 0 0 328.320 2.874 50 70 biogenic EFIARN COc1ccc2[nH]c(C(=O)N3CCC[C@@H]3c3nnc(C)[nH]3)cc2c1 ZINC000216969406 241230028 /nfs/dbraw/zinc/23/00/28/241230028.db2.gz ZJLYTQGLNHMPGO-OAHLLOKOSA-N 0 0 325.372 2.580 50 70 EFIARN COc1cccc(N2CCN(C(=O)Cc3ccccn3)CC2(C)C)c1 ZINC000217056931 241233531 /nfs/dbraw/zinc/23/35/31/241233531.db2.gz AEVSDZUTEBUNIW-UHFFFAOYSA-N 0 0 339.439 2.760 50 70 EFIARN C[C@H](Cc1cccnc1)NC(=O)CCC(=O)N(C)C1CCCCC1 ZINC000217154251 241238194 /nfs/dbraw/zinc/23/81/94/241238194.db2.gz UGAUQOIDLRHOLY-OAHLLOKOSA-N 0 0 331.460 2.700 50 70 EFIARN C[C@@H](Cc1cccnc1)NC(=O)CCC(=O)N(C)C1CCCCC1 ZINC000217154243 241238235 /nfs/dbraw/zinc/23/82/35/241238235.db2.gz UGAUQOIDLRHOLY-HNNXBMFYSA-N 0 0 331.460 2.700 50 70 EFIARN Cc1cc2nc(CN(C)C(=O)c3c[nH]c(=O)c(Cl)c3)[nH]c2cc1C ZINC000217206072 241241188 /nfs/dbraw/zinc/24/11/88/241241188.db2.gz AQZAEAQEDICRRN-UHFFFAOYSA-N 0 0 344.802 2.794 50 70 EFIARN CC(=O)OC(C)(C)C(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217509052 241254172 /nfs/dbraw/zinc/25/41/72/241254172.db2.gz OTVFTADRQUZAEZ-KRWDZBQOSA-N 0 0 335.425 2.567 50 70 EFIARN Cc1ccc(-c2ccc(CCC(=O)NC[C@@H]3COCCO3)o2)cc1 ZINC000217535453 241256396 /nfs/dbraw/zinc/25/63/96/241256396.db2.gz CXJWMQLYIDZPGH-QGZVFWFLSA-N 0 0 329.396 2.719 50 70 EFIARN Cc1ccc(-c2ccc(CCC(=O)NC[C@H]3COCCO3)o2)cc1 ZINC000217535526 241257850 /nfs/dbraw/zinc/25/78/50/241257850.db2.gz CXJWMQLYIDZPGH-KRWDZBQOSA-N 0 0 329.396 2.719 50 70 EFIARN Cn1cc([C@H](NC(=O)c2csc3c2CCCC3)C2CC(O)C2)cn1 ZINC000218406988 241319339 /nfs/dbraw/zinc/31/93/39/241319339.db2.gz XOJVKWLUDYXAOD-FWXSHLFISA-N 0 0 345.468 2.602 50 70 EFIARN COc1cc2cc(C(=O)Nc3nnc(CC(C)C)[nH]3)[nH]c2cc1OC ZINC000218434758 241322720 /nfs/dbraw/zinc/32/27/20/241322720.db2.gz WARYOISQSHQMHF-UHFFFAOYSA-N 0 0 343.387 2.754 50 70 EFIARN COCCn1ccc2c1cccc2C(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000218487053 241327055 /nfs/dbraw/zinc/32/70/55/241327055.db2.gz PUXKCWZFLWLCEG-UHFFFAOYSA-N 0 0 341.415 2.857 50 70 EFIARN Cc1cc(=O)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000217832890 241277796 /nfs/dbraw/zinc/27/77/96/241277796.db2.gz WXSPRUSODDBTDS-CYBMUJFWSA-N 0 0 337.379 2.844 50 70 EFIARN CCOc1ccc(C(=O)NCCn2ccnc2-c2ccccn2)cc1 ZINC000217858084 241278976 /nfs/dbraw/zinc/27/89/76/241278976.db2.gz WQJCZUNEKOHKEW-UHFFFAOYSA-N 0 0 336.395 2.774 50 70 EFIARN O=C(Cc1ccccc1Cl)NCCn1ccnc1-c1ccccn1 ZINC000217861154 241279838 /nfs/dbraw/zinc/27/98/38/241279838.db2.gz DKTQBARTAQGBJF-UHFFFAOYSA-N 0 0 340.814 2.957 50 70 EFIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1noc2c1CCCC2 ZINC000217889073 241280554 /nfs/dbraw/zinc/28/05/54/241280554.db2.gz XSRDLESMIGEOOW-UHFFFAOYSA-N 0 0 342.424 2.908 50 70 EFIARN O=S(=O)(Cc1ccccc1)NCCn1ccc(-c2ccsc2)n1 ZINC000217892265 241281027 /nfs/dbraw/zinc/28/10/27/241281027.db2.gz AKCMIULEQDUYEV-UHFFFAOYSA-N 0 0 347.465 2.731 50 70 EFIARN O=C(NCC[C@@H](O)C1CCOCC1)NCc1cccc2ccccc21 ZINC000217930429 241286284 /nfs/dbraw/zinc/28/62/84/241286284.db2.gz LUGPQVWMHJTLBZ-LJQANCHMSA-N 0 0 342.439 2.817 50 70 EFIARN CCc1nc(C)ccc1OCC(=O)N1CC(Oc2ccccc2F)C1 ZINC000217969406 241288609 /nfs/dbraw/zinc/28/86/09/241288609.db2.gz KKAHWABTHJRTDJ-UHFFFAOYSA-N 0 0 344.386 2.760 50 70 EFIARN C[C@@](O)(CNS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2o1 ZINC000217997094 241289506 /nfs/dbraw/zinc/28/95/06/241289506.db2.gz SLGVPXABQRHJRQ-QGZVFWFLSA-N 0 0 349.383 2.758 50 70 EFIARN Cc1noc(C)c1CCC(=O)NC[C@@](C)(O)c1cc2ccccc2o1 ZINC000217987530 241289658 /nfs/dbraw/zinc/28/96/58/241289658.db2.gz LTVADTCHJFLUJU-LJQANCHMSA-N 0 0 342.395 2.994 50 70 EFIARN C[C@@](O)(CNS(=O)(=O)c1cccs1)c1cc2ccccc2o1 ZINC000217996727 241290484 /nfs/dbraw/zinc/29/04/84/241290484.db2.gz HCLPPTVLCKLBSR-OAHLLOKOSA-N 0 0 337.422 2.680 50 70 EFIARN C[C@](O)(CNC(=O)c1cc(C2CC2)on1)c1cc2ccccc2o1 ZINC000217992489 241290885 /nfs/dbraw/zinc/29/08/85/241290885.db2.gz DMUDTNSWKOXRHH-SFHVURJKSA-N 0 0 326.352 2.936 50 70 EFIARN Cc1[nH]c2c(c1C(=O)NCc1cncn1CC(C)C)C(=O)CCC2 ZINC000218039813 241292051 /nfs/dbraw/zinc/29/20/51/241292051.db2.gz ZXYAJTNEYJOSRU-UHFFFAOYSA-N 0 0 328.416 2.625 50 70 EFIARN O=C(CC1(n2cccc2)CCOCC1)NCc1c(F)cccc1F ZINC000218238594 241307069 /nfs/dbraw/zinc/30/70/69/241307069.db2.gz CMWFRGHXADSNCG-UHFFFAOYSA-N 0 0 334.366 2.979 50 70 EFIARN Cn1ccc2cc(NC(=O)Cn3cnc4sccc4c3=O)ccc21 ZINC000218260189 241311426 /nfs/dbraw/zinc/31/14/26/241311426.db2.gz XJZVDBGTOYKTSB-UHFFFAOYSA-N 0 0 338.392 2.588 50 70 EFIARN O=C(c1ccc(SCCO)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000218293405 241312243 /nfs/dbraw/zinc/31/22/43/241312243.db2.gz DHXSWKUIZVTPEJ-YJBOKZPZSA-N 0 0 335.469 2.538 50 70 EFIARN CCO[C@@H]1COCC[C@H]1NC(=O)c1c(C)c2cccc(C)c2n1C ZINC000218539702 241331128 /nfs/dbraw/zinc/33/11/28/241331128.db2.gz QXDXWDSQDOTHGB-HZPDHXFCSA-N 0 0 330.428 2.719 50 70 EFIARN O=C(N[C@@H](Cc1ccncc1)C1CC(O)C1)c1ccc2ncccc2c1 ZINC000218588897 241332427 /nfs/dbraw/zinc/33/24/27/241332427.db2.gz TXTJINRBUYZJQV-QLOJAFMTSA-N 0 0 347.418 2.742 50 70 EFIARN CSc1ncccc1C(=O)NCc1cc(-c2ccccn2)no1 ZINC000218704822 241338854 /nfs/dbraw/zinc/33/88/54/241338854.db2.gz OMIHFVAXKWEPOM-UHFFFAOYSA-N 0 0 326.381 2.784 50 70 EFIARN Cc1noc(C)c1C(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000217590353 474143352 /nfs/dbraw/zinc/14/33/52/474143352.db2.gz HOCMCKMHZLODTK-SFHVURJKSA-N 0 0 326.352 2.593 50 70 EFIARN O=S(=O)(/C=C/c1ccccc1)Nc1cnn(CC2CCOCC2)c1 ZINC000218242638 474144513 /nfs/dbraw/zinc/14/45/13/474144513.db2.gz KULJVYYAIOPGNS-DHZHZOJOSA-N 0 0 347.440 2.722 50 70 EFIARN CC(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccco1 ZINC000218243850 534763198 /nfs/dbraw/zinc/76/31/98/534763198.db2.gz HJWNQUIXPPXLFV-UHFFFAOYSA-N 0 0 325.368 2.552 50 70 EFIARN CC[C@@H](NC(=O)c1c(C)[nH]c(C(C)=O)c1C)c1cn2cccnc2n1 ZINC000217448615 535799050 /nfs/dbraw/zinc/79/90/50/535799050.db2.gz IDTGLGSVVOAQRE-CYBMUJFWSA-N 0 0 339.399 2.758 50 70 EFIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc2c(c1)COC2=O ZINC000218144216 537024048 /nfs/dbraw/zinc/02/40/48/537024048.db2.gz YWQNMTXOGRSFBP-INIZCTEOSA-N 0 0 341.319 2.655 50 70 EFIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(O)cc1 ZINC000217617018 537024206 /nfs/dbraw/zinc/02/42/06/537024206.db2.gz JCAKQGBTPOBBLW-CQSZACIVSA-N 0 0 343.335 2.650 50 70 biogenic EFIARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2c(c1)COC2=O ZINC000218144282 537024227 /nfs/dbraw/zinc/02/42/27/537024227.db2.gz YWQNMTXOGRSFBP-MRXNPFEDSA-N 0 0 341.319 2.655 50 70 EFIARN Cc1ccc2cc([C@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)[nH]c2c1 ZINC000218100692 545559834 /nfs/dbraw/zinc/55/98/34/545559834.db2.gz OQLQIMHDCQOWLM-GFCCVEGCSA-N 0 0 337.331 2.539 50 70 biogenic EFIARN COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000008689804 560210759 /nfs/dbraw/zinc/21/07/59/560210759.db2.gz NTNUDYROPUKXNA-UHFFFAOYSA-N 0 0 334.355 2.956 50 70 in-vitro EFIARN COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000217563170 241259367 /nfs/dbraw/zinc/25/93/67/241259367.db2.gz ARCBUVHURSAQAG-MRXNPFEDSA-N 0 0 344.436 2.598 50 70 EFIARN C[C@H](C(=O)NCc1cc(COc2ccccc2)cs1)n1cncn1 ZINC000217588384 241260992 /nfs/dbraw/zinc/26/09/92/241260992.db2.gz IXZQNNYQKCWXGC-CYBMUJFWSA-N 0 0 342.424 2.796 50 70 EFIARN O=C(c1ccccc1N1CCOCC1)N1CCC[C@H]1c1ccccn1 ZINC000217751782 241272884 /nfs/dbraw/zinc/27/28/84/241272884.db2.gz FAMWGWGHKZEPLQ-IBGZPJMESA-N 0 0 337.423 2.896 50 70 EFIARN OCc1cc2n(n1)CCN(Cc1ccc(OC3CCCC3)cc1)C2 ZINC000217060258 241235597 /nfs/dbraw/zinc/23/55/97/241235597.db2.gz XFXOPKZACXRAIC-UHFFFAOYSA-N 0 0 327.428 2.713 50 70 EFIARN Cc1cc(N2CCn3nc(CO)cc3C2)c2cc(F)cc(F)c2n1 ZINC000217104375 241236470 /nfs/dbraw/zinc/23/64/70/241236470.db2.gz AEGFTXSTMNLKHA-UHFFFAOYSA-N 0 0 330.338 2.530 50 70 EFIARN O[C@@H](c1cc2n(n1)CCN(Cc1cncn1C1CC1)C2)c1ccccc1 ZINC000217112828 241236539 /nfs/dbraw/zinc/23/65/39/241236539.db2.gz YKCYUEQENXZAQH-HXUWFJFHSA-N 0 0 349.438 2.512 50 70 EFIARN O=C(NCc1nc2cc(Cl)ccc2[nH]1)[C@H](O)c1cccc(F)c1 ZINC000217385319 241246085 /nfs/dbraw/zinc/24/60/85/241246085.db2.gz JGQFYQURGKNCIH-OAHLLOKOSA-N 0 0 333.750 2.705 50 70 EFIARN Cc1nn(C)c(C)c1C(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217509441 241255367 /nfs/dbraw/zinc/25/53/67/241255367.db2.gz CQFSZWPYEJVEHU-SFHVURJKSA-N 0 0 343.452 2.889 50 70 EFIARN O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc(F)c(Cl)c1 ZINC000217537699 241256388 /nfs/dbraw/zinc/25/63/88/241256388.db2.gz RMMCHMAQZBNAPM-ZDUSSCGKSA-N 0 0 349.836 2.943 50 70 EFIARN Cc1ccc2ncccc2c1CNC(=O)COC[C@@H]1CCCCO1 ZINC000217552664 241257872 /nfs/dbraw/zinc/25/78/72/241257872.db2.gz QRYGNWXSJSWOTK-HNNXBMFYSA-N 0 0 328.412 2.745 50 70 EFIARN O=C(COc1ccccc1)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217556288 241258299 /nfs/dbraw/zinc/25/82/99/241258299.db2.gz SZLXMXYVTXUUSC-HXUWFJFHSA-N 0 0 337.375 2.754 50 70 EFIARN CC(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)s1 ZINC000218420123 241322486 /nfs/dbraw/zinc/32/24/86/241322486.db2.gz NMXLGQKHLCYYNA-HNNXBMFYSA-N 0 0 343.452 2.740 50 70 EFIARN COc1ccccc1-c1n[nH]cc1C(=O)N[C@H](CO)c1ccccc1 ZINC000218414968 241322851 /nfs/dbraw/zinc/32/28/51/241322851.db2.gz JIBVJJZKFSIPBF-MRXNPFEDSA-N 0 0 337.379 2.549 50 70 EFIARN Cc1cc(C(F)(F)F)nn1CCNC(=O)c1ccc(N(C)C)cc1 ZINC000218489480 241326028 /nfs/dbraw/zinc/32/60/28/241326028.db2.gz LIVVYEICDLEYCI-UHFFFAOYSA-N 0 0 340.349 2.706 50 70 EFIARN Cc1cc(C(=O)N2CCC[C@H](COc3ccccc3C)C2)cc(=O)[nH]1 ZINC000217983106 241287558 /nfs/dbraw/zinc/28/75/58/241287558.db2.gz UZMCETMEUONMDK-INIZCTEOSA-N 0 0 340.423 2.923 50 70 EFIARN Cc1nnc(SCCNC(=O)CCc2cccc(F)c2)s1 ZINC000217986884 241289202 /nfs/dbraw/zinc/28/92/02/241289202.db2.gz WPPSGSBPDCESAN-UHFFFAOYSA-N 0 0 325.434 2.827 50 70 EFIARN C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nnc(N)s1 ZINC000218057926 241293813 /nfs/dbraw/zinc/29/38/13/241293813.db2.gz QUOMDVPIOYLYBR-SECBINFHSA-N 0 0 341.440 2.971 50 70 EFIARN C[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1nnc(N)s1 ZINC000218085478 241295774 /nfs/dbraw/zinc/29/57/74/241295774.db2.gz YJSBQVSTRDPCIT-SSDOTTSWSA-N 0 0 330.335 2.559 50 70 EFIARN CN(C)c1nc(CNC(=O)c2cc(-c3cccs3)n(C)n2)cs1 ZINC000218078095 241296449 /nfs/dbraw/zinc/29/64/49/241296449.db2.gz MVTXLWATSXQLKI-UHFFFAOYSA-N 0 0 347.469 2.601 50 70 EFIARN CC[C@@H](NC(=O)C1(N2CCOCC2)CCCCC1)c1cccc(C)n1 ZINC000218230913 241308652 /nfs/dbraw/zinc/30/86/52/241308652.db2.gz PLKKKFKNODQJMP-QGZVFWFLSA-N 0 0 345.487 2.992 50 70 EFIARN CN(Cc1cnccn1)C(=O)c1ccccc1OC(F)(F)C(F)F ZINC000218243260 241308977 /nfs/dbraw/zinc/30/89/77/241308977.db2.gz BKLPIIKIDPCRCV-UHFFFAOYSA-N 0 0 343.280 2.986 50 70 EFIARN O=C(NCCOc1cccc2cccnc21)c1[nH]nc2ccccc21 ZINC000218280442 241310213 /nfs/dbraw/zinc/31/02/13/241310213.db2.gz SBMZYPLWKCZLMJ-UHFFFAOYSA-N 0 0 332.363 2.920 50 70 EFIARN O=C(NCCc1ccncc1)c1cnc2ccc(Cl)cc2c1O ZINC000218304737 241312968 /nfs/dbraw/zinc/31/29/68/241312968.db2.gz BDRRAPRDZLETQH-UHFFFAOYSA-N 0 0 327.771 2.961 50 70 EFIARN COCc1nc(C)c(CNC(=O)c2ccc(CSC)o2)s1 ZINC000218354505 241314676 /nfs/dbraw/zinc/31/46/76/241314676.db2.gz KWCHKFJTUXQRMN-UHFFFAOYSA-N 0 0 326.443 2.984 50 70 EFIARN CC(C)c1nnc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)[nH]n2)[nH]1 ZINC000218320949 241316363 /nfs/dbraw/zinc/31/63/63/241316363.db2.gz QKQKAPWTGDACMK-UHFFFAOYSA-N 0 0 338.371 2.505 50 70 EFIARN O=C(CCSCc1ccc(F)cc1)NCc1cnc2cnccn12 ZINC000218361650 241317667 /nfs/dbraw/zinc/31/76/67/241317667.db2.gz NLWZZCQJJFZDBJ-UHFFFAOYSA-N 0 0 344.415 2.808 50 70 EFIARN Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1[C@@H](C2CCCC2)[C@H]2OCC[C@@H]12 ZINC000218561506 241331181 /nfs/dbraw/zinc/33/11/81/241331181.db2.gz CMBSHNBMTMGLOT-RNQOJCNYSA-N 0 0 345.487 2.679 50 70 EFIARN O=C(NCCSc1nc[nH]n1)C1c2ccccc2-c2ccccc21 ZINC000218674133 241337686 /nfs/dbraw/zinc/33/76/86/241337686.db2.gz KDURNXXXQRQQQR-UHFFFAOYSA-N 0 0 336.420 2.826 50 70 EFIARN Cc1nnc([C@H](C)NC(=O)c2ccc(N3CCCC3)c(Cl)c2)[nH]1 ZINC000218695501 241339034 /nfs/dbraw/zinc/33/90/34/241339034.db2.gz NIXGQXFFZSGCSE-JTQLQIEISA-N 0 0 333.823 2.858 50 70 EFIARN Cc1cc(COc2ccccc2)oc1C(=O)N[C@@H](C)Cn1cncn1 ZINC000218740260 241341875 /nfs/dbraw/zinc/34/18/75/241341875.db2.gz PCNWGFXZBAWULG-AWEZNQCLSA-N 0 0 340.383 2.577 50 70 EFIARN C[C@H](NC(=O)Cc1ccc2c(c1)OCO2)c1nncn1C1CCCC1 ZINC000218784170 241345916 /nfs/dbraw/zinc/34/59/16/241345916.db2.gz MPMWRWMVFHYJHP-LBPRGKRZSA-N 0 0 342.399 2.542 50 70 EFIARN O=C1C[C@H](c2cc3ccccc3[nH]c2=O)c2cc3c(cc2O1)OCO3 ZINC000217628190 284845878 /nfs/dbraw/zinc/84/58/78/284845878.db2.gz LWSYFBKAKMRLGH-NSHDSACASA-N 0 0 335.315 2.698 50 70 biogenic EFIARN COc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1OC ZINC000217898919 277429893 /nfs/dbraw/zinc/42/98/93/277429893.db2.gz GJVCIDUDFMWGFC-LLVKDONJSA-N 0 0 328.320 2.874 50 70 biogenic EFIARN COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1O ZINC000217611646 277429978 /nfs/dbraw/zinc/42/99/78/277429978.db2.gz GXQRNADCXWFYCR-GFCCVEGCSA-N 0 0 328.320 2.750 50 70 biogenic EFIARN Cc1ccc2cc([C@@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)[nH]c2c1 ZINC000218100622 278896616 /nfs/dbraw/zinc/89/66/16/278896616.db2.gz OQLQIMHDCQOWLM-LBPRGKRZSA-N 0 0 337.331 2.539 50 70 biogenic EFIARN Cn1c2ccccc2cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)c1=O ZINC000217869810 294188660 /nfs/dbraw/zinc/18/86/60/294188660.db2.gz FGIJBPFABTXZRW-GFCCVEGCSA-N 0 0 349.342 2.708 50 70 biogenic EFIARN O=C(CCc1ccc(F)c(F)c1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000217590889 474143301 /nfs/dbraw/zinc/14/33/01/474143301.db2.gz GJDWVSLXBGTKLL-CQSZACIVSA-N 0 0 339.382 2.742 50 70 EFIARN Cn1nc(CN(Cc2ccco2)C(=O)c2cccnc2)c2c1CCC2 ZINC000217904300 474143739 /nfs/dbraw/zinc/14/37/39/474143739.db2.gz QPNNLOWIABNHDT-UHFFFAOYSA-N 0 0 336.395 2.739 50 70 EFIARN O=C(Cc1c[nH]c2ccccc12)Nc1cnn(CC2CCOCC2)c1 ZINC000218201115 474144615 /nfs/dbraw/zinc/14/46/15/474144615.db2.gz NJBRLONFPRWELW-UHFFFAOYSA-N 0 0 338.411 2.972 50 70 EFIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(-c2ccco2)[nH]n1 ZINC000218199803 474145524 /nfs/dbraw/zinc/14/55/24/474145524.db2.gz IGOBARNMEKREGP-UHFFFAOYSA-N 0 0 341.371 2.545 50 70 EFIARN CC(C)c1cc(C(=O)NCc2nc(C3CCCCC3)no2)nc(N)n1 ZINC000218415080 535366817 /nfs/dbraw/zinc/36/68/17/535366817.db2.gz ZVDQILGUOGINNN-UHFFFAOYSA-N 0 0 344.419 2.543 50 70 EFIARN CC[C@@H]1[C@@H](NC(=O)Cc2nc3cc(Cl)ccc3[nH]2)[C@@H]2CCO[C@H]12 ZINC000218783994 535958306 /nfs/dbraw/zinc/95/83/06/535958306.db2.gz QYELUZATTQJPKO-ZWUPXRALSA-N 0 0 333.819 2.689 50 70 EFIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(O)c1 ZINC000218283949 537023921 /nfs/dbraw/zinc/02/39/21/537023921.db2.gz DSYOROYHETWWFM-AWEZNQCLSA-N 0 0 343.335 2.650 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(F)c(C)c2)C1 ZINC000217561739 241258805 /nfs/dbraw/zinc/25/88/05/241258805.db2.gz QAGZTOULXMHJNN-CQSZACIVSA-N 0 0 339.432 2.574 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000217559818 241259250 /nfs/dbraw/zinc/25/92/50/241259250.db2.gz DANFUYZPQPSZFO-CQSZACIVSA-N 0 0 341.860 2.780 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000217556545 241259746 /nfs/dbraw/zinc/25/97/46/241259746.db2.gz GILOZJVRDXDUKA-JTQLQIEISA-N 0 0 347.358 2.826 50 70 EFIARN O=C(CCc1ccccc1F)NC[C@H](O)c1ccc2c(c1)CCO2 ZINC000217585113 241261161 /nfs/dbraw/zinc/26/11/61/241261161.db2.gz PXZPKOAMDLIZPS-KRWDZBQOSA-N 0 0 329.371 2.543 50 70 EFIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C1(c3ccc(F)cc3)CC1)C2 ZINC000217665500 241267620 /nfs/dbraw/zinc/26/76/20/241267620.db2.gz WVYYPYLFKROYFA-CYBMUJFWSA-N 0 0 343.402 2.540 50 70 EFIARN COc1cccc(F)c1C(=O)N1CCN(C)[C@H](c2ccccc2)C1 ZINC000217064392 241235127 /nfs/dbraw/zinc/23/51/27/241235127.db2.gz QAMLSYAFUNJHDK-INIZCTEOSA-N 0 0 328.387 2.963 50 70 EFIARN Cc1nnc([C@H]2CCCN2C(=O)c2ccccc2N2CCCC2)[nH]1 ZINC000217080406 241235170 /nfs/dbraw/zinc/23/51/70/241235170.db2.gz QVRINGYZCITJEK-MRXNPFEDSA-N 0 0 325.416 2.691 50 70 EFIARN CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nccs2)nc(N)n1 ZINC000217178239 241239350 /nfs/dbraw/zinc/23/93/50/241239350.db2.gz QKTIHDGMJFLVNG-ZDUSSCGKSA-N 0 0 331.445 2.691 50 70 EFIARN OCc1cc2n(n1)CCCN(Cc1ccc(C(F)(F)F)c(F)c1)C2 ZINC000217212450 241242803 /nfs/dbraw/zinc/24/28/03/241242803.db2.gz NFYWYGRTLGVVLQ-UHFFFAOYSA-N 0 0 343.324 2.939 50 70 EFIARN O=C(NCc1nc2cc(Cl)ccc2[nH]1)[C@@H](O)c1cccc(F)c1 ZINC000217385244 241247472 /nfs/dbraw/zinc/24/74/72/241247472.db2.gz JGQFYQURGKNCIH-HNNXBMFYSA-N 0 0 333.750 2.705 50 70 EFIARN Cc1nnc([C@H]2CCCN2C(=O)c2cc(-c3ccsc3)n[nH]2)[nH]1 ZINC000217426459 241248665 /nfs/dbraw/zinc/24/86/65/241248665.db2.gz WHUIYDIOLCBWMB-CYBMUJFWSA-N 0 0 328.401 2.542 50 70 EFIARN Cc1cc(S(=O)(=O)NCC[C@H](O)c2ccsc2)ccc1F ZINC000217535614 241256859 /nfs/dbraw/zinc/25/68/59/241256859.db2.gz CJVFFOMXEXDLQW-AWEZNQCLSA-N 0 0 329.418 2.598 50 70 EFIARN COC(=O)CS[C@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000217554231 241258416 /nfs/dbraw/zinc/25/84/16/241258416.db2.gz BPEPZWJFHALQIA-JTQLQIEISA-N 0 0 331.796 2.600 50 70 EFIARN O=C(NCCc1ccncc1)c1cnc2cc(Cl)ccc2c1O ZINC000218386151 241319784 /nfs/dbraw/zinc/31/97/84/241319784.db2.gz KIPGJMAMWLVOTD-UHFFFAOYSA-N 0 0 327.771 2.961 50 70 EFIARN O=C(CCCOCc1ccccc1)N1CCC2(COC(=O)O2)CC1 ZINC000218423535 241320813 /nfs/dbraw/zinc/32/08/13/241320813.db2.gz FJNMZFQHLIUJRC-UHFFFAOYSA-N 0 0 333.384 2.511 50 70 EFIARN CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)s1 ZINC000218420032 241321760 /nfs/dbraw/zinc/32/17/60/241321760.db2.gz NMXLGQKHLCYYNA-OAHLLOKOSA-N 0 0 343.452 2.740 50 70 EFIARN O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccc(O)cn1 ZINC000218436522 241322433 /nfs/dbraw/zinc/32/24/33/241322433.db2.gz IJSZZQYUQSZGQX-ZVYVSMAVSA-N 0 0 349.390 2.577 50 70 EFIARN O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccc(O)cn1 ZINC000218436460 241322466 /nfs/dbraw/zinc/32/24/66/241322466.db2.gz IJSZZQYUQSZGQX-NSRCDFIJSA-N 0 0 349.390 2.577 50 70 EFIARN Cc1cc(-c2cccs2)nn1CCNC(=O)Cc1c(C)noc1C ZINC000217874545 241282087 /nfs/dbraw/zinc/28/20/87/241282087.db2.gz PFAZGQCCBAVKGE-UHFFFAOYSA-N 0 0 344.440 2.884 50 70 EFIARN OCc1cc2n(n1)CCN(Cc1cccc(OC3CCCC3)c1)C2 ZINC000217982080 241288422 /nfs/dbraw/zinc/28/84/22/241288422.db2.gz XXWIMMNSNKKZOL-UHFFFAOYSA-N 0 0 327.428 2.713 50 70 EFIARN Cc1cccc(N2CCC(NC(=O)COc3cccnc3)CC2)c1 ZINC000218054729 241293891 /nfs/dbraw/zinc/29/38/91/241293891.db2.gz SPSQWFZGCSBSLP-UHFFFAOYSA-N 0 0 325.412 2.554 50 70 EFIARN Cc1nc2ccccc2n1CCC(=O)N[C@@H](c1nccn1C)C(C)C ZINC000218190024 241304014 /nfs/dbraw/zinc/30/40/14/241304014.db2.gz ZYEZRBBXXLWSHX-GOSISDBHSA-N 0 0 339.443 2.982 50 70 EFIARN O=C(CCc1ccc2c(c1)OCO2)NCc1[nH]nc2c1CCCCC2 ZINC000218249917 241308727 /nfs/dbraw/zinc/30/87/27/241308727.db2.gz REJLHTOILAIWTC-UHFFFAOYSA-N 0 0 341.411 2.656 50 70 EFIARN Cc1cc(C[C@H](C)NC(=O)CSc2nc3cc(C)ccc3[nH]2)[nH]n1 ZINC000218272110 241309983 /nfs/dbraw/zinc/30/99/83/241309983.db2.gz RQUVHACMVGNTRZ-NSHDSACASA-N 0 0 343.456 2.742 50 70 EFIARN COC(=O)[C@@H](NC(=O)CCn1ccc2c1cccc2Cl)C(C)C ZINC000218263762 241311043 /nfs/dbraw/zinc/31/10/43/241311043.db2.gz UUHUHNKTYDCEPN-INIZCTEOSA-N 0 0 336.819 2.999 50 70 EFIARN Cc1nc(CCNC(=O)[C@H](O)c2ccc(F)cc2)sc1Cl ZINC000218742183 241340904 /nfs/dbraw/zinc/34/09/04/241340904.db2.gz SZDXDTJAWXKSTL-GFCCVEGCSA-N 0 0 328.796 2.636 50 70 EFIARN CSc1nc(C(=O)N2CCC(Cc3noc(C)n3)CC2)cs1 ZINC000218759383 241344502 /nfs/dbraw/zinc/34/45/02/241344502.db2.gz OPUCHWONLLHXIB-UHFFFAOYSA-N 0 0 338.458 2.651 50 70 EFIARN Cc1cn2cc(C(=O)N[C@@H]3[C@@H](C4CCCC4)[C@H]4OCC[C@@H]34)ccc2n1 ZINC000218051619 279005148 /nfs/dbraw/zinc/00/51/48/279005148.db2.gz MDVPGQLSQLZIFQ-NQYYFHDYSA-N 0 0 339.439 2.966 50 70 EFIARN Cc1cc([C@@H]2CCCCN2C(=O)c2nc(N)nc3c2CCCC3)no1 ZINC000218308838 474144745 /nfs/dbraw/zinc/14/47/45/474144745.db2.gz JNEIXMDZIBBLMP-HNNXBMFYSA-N 0 0 341.415 2.601 50 70 EFIARN O=C(c1cc(=O)[nH]c2cc(F)ccc21)N(Cc1cccnc1)C1CC1 ZINC000159378482 526598793 /nfs/dbraw/zinc/59/87/93/526598793.db2.gz ZNAFXHDMXDSQGJ-UHFFFAOYSA-N 0 0 337.354 2.867 50 70 EFIARN CC1(C)OC(=O)C[C@H]1C(=O)NCCc1nc(-c2ccccc2)cs1 ZINC000218473203 534985999 /nfs/dbraw/zinc/98/59/99/534985999.db2.gz YSVPMDZEFWICOI-ZDUSSCGKSA-N 0 0 344.436 2.811 50 70 EFIARN CC1=C(CN2CCCn3nc([C@H](O)CO)cc3C2)C(C)(C)CCC1 ZINC000217365192 535238349 /nfs/dbraw/zinc/23/83/49/535238349.db2.gz HWTHJNZCKRYQOE-GOSISDBHSA-N 0 0 333.476 2.641 50 70 EFIARN CC1=C(CN2CCCn3nc([C@@H](O)CO)cc3C2)C(C)(C)CCC1 ZINC000217365114 535239009 /nfs/dbraw/zinc/23/90/09/535239009.db2.gz HWTHJNZCKRYQOE-SFHVURJKSA-N 0 0 333.476 2.641 50 70 EFIARN CC(C)c1cc([C@@H]2CCCN2C(=O)CN(C)Cc2cccnc2)no1 ZINC000218000668 535370195 /nfs/dbraw/zinc/37/01/95/535370195.db2.gz IAMCPEJTEMXQDE-KRWDZBQOSA-N 0 0 342.443 2.989 50 70 EFIARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(C)=O)c(O)c1 ZINC000217885447 537023705 /nfs/dbraw/zinc/02/37/05/537023705.db2.gz KFIXLZPWEOHSLH-QGZVFWFLSA-N 0 0 343.335 2.893 50 70 biogenic EFIARN Cc1ccc2occ([C@@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)c2c1 ZINC000218114195 545559879 /nfs/dbraw/zinc/55/98/79/545559879.db2.gz LPRKHKQUAUJEEA-NSHDSACASA-N 0 0 338.315 2.804 50 70 biogenic EFIARN COC(=O)CS[C@H]1CCN(C(=O)CCc2ccc(C)c(C)c2)C1 ZINC000217561014 241258688 /nfs/dbraw/zinc/25/86/88/241258688.db2.gz AUZRUWICPVOYKR-INIZCTEOSA-N 0 0 335.469 2.743 50 70 EFIARN O=C(CCc1ccc(F)c(F)c1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000217590963 241261060 /nfs/dbraw/zinc/26/10/60/241261060.db2.gz GJDWVSLXBGTKLL-AWEZNQCLSA-N 0 0 339.382 2.742 50 70 EFIARN CSc1ccc(CC(=O)NCCCn2c(C)cccc2=O)cc1 ZINC000217623611 241263355 /nfs/dbraw/zinc/26/33/55/241263355.db2.gz NUGDYLSVHGQHDL-UHFFFAOYSA-N 0 0 330.453 2.628 50 70 EFIARN CCSc1nc(CC(=O)NCCCn2nc(C)cc2C)cs1 ZINC000217636757 241266179 /nfs/dbraw/zinc/26/61/79/241266179.db2.gz WPAZCQFVBWSWFA-UHFFFAOYSA-N 0 0 338.502 2.817 50 70 EFIARN COc1cc2c(cc1CN1CCCn3nc([C@H](C)O)cc3C1)CCC2 ZINC000217681472 241267904 /nfs/dbraw/zinc/26/79/04/241267904.db2.gz FLUMLCGGJXCKHG-AWEZNQCLSA-N 0 0 341.455 2.840 50 70 EFIARN O=C(c1ccccc1N1CCOCC1)N1CCC[C@@H]1c1ccccn1 ZINC000217751708 241273003 /nfs/dbraw/zinc/27/30/03/241273003.db2.gz FAMWGWGHKZEPLQ-LJQANCHMSA-N 0 0 337.423 2.896 50 70 EFIARN COC(=O)C[C@H](c1oc(CN2CCCCC2)cc(=O)c1O)C(C)C ZINC000217772147 241274963 /nfs/dbraw/zinc/27/49/63/241274963.db2.gz VGINAJPXGXYONA-AWEZNQCLSA-N 0 0 337.416 2.634 50 70 biogenic EFIARN Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000217806147 241275580 /nfs/dbraw/zinc/27/55/80/241275580.db2.gz JWPFTNWEHLAAQN-HNNXBMFYSA-N 0 0 342.439 2.863 50 70 EFIARN CC(C)Cc1nc2ccccc2n1[C@H](C)C(=O)NCCc1cn[nH]c1 ZINC000216964754 241228931 /nfs/dbraw/zinc/22/89/31/241228931.db2.gz SKPQCBXPBXZQMX-CQSZACIVSA-N 0 0 339.443 2.878 50 70 EFIARN CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCc1ccsc1)C2 ZINC000217036121 241232251 /nfs/dbraw/zinc/23/22/51/241232251.db2.gz MBQPVTDDKZUBJK-MRXNPFEDSA-N 0 0 333.457 2.753 50 70 EFIARN Cc1cc(CN(C)C(=O)CCSc2ccc3c(c2)OCCO3)on1 ZINC000217135532 241235463 /nfs/dbraw/zinc/23/54/63/241235463.db2.gz GLXAYGBSNFINMD-UHFFFAOYSA-N 0 0 348.424 2.895 50 70 EFIARN CSCc1nc(-c2ccncc2)nn1Cc1ccc2c(c1)OCO2 ZINC000217374638 241246178 /nfs/dbraw/zinc/24/61/78/241246178.db2.gz IOGLHMOAQQMRQE-UHFFFAOYSA-N 0 0 340.408 2.980 50 70 EFIARN O=C(c1cc2sccc2[nH]1)N1CCOc2ccc(CO)cc2C1 ZINC000217481107 241253359 /nfs/dbraw/zinc/25/33/59/241253359.db2.gz ANFRKAIVCZUUIJ-UHFFFAOYSA-N 0 0 328.393 2.757 50 70 EFIARN COc1ccc(Cl)cc1C(=O)NCCSc1nccn1C ZINC000217530252 241255595 /nfs/dbraw/zinc/25/55/95/241255595.db2.gz WUIMGJQFPGCEAL-UHFFFAOYSA-N 0 0 325.821 2.604 50 70 EFIARN COc1ccc(CCNC(=O)NCC[C@@H](O)c2ccsc2)cc1 ZINC000217546744 241256589 /nfs/dbraw/zinc/25/65/89/241256589.db2.gz CARMBRIJAAVJIS-MRXNPFEDSA-N 0 0 334.441 2.722 50 70 EFIARN O=C(CCCNc1ncccn1)NCCn1ccc2ccc(F)cc21 ZINC000218406750 241319083 /nfs/dbraw/zinc/31/90/83/241319083.db2.gz IQDFABAZSUOSEZ-UHFFFAOYSA-N 0 0 341.390 2.579 50 70 EFIARN O=C(COc1ccccc1F)NCCn1ccc(-c2ccsc2)n1 ZINC000217885417 241280641 /nfs/dbraw/zinc/28/06/41/241280641.db2.gz QYCLATJAWSZDBO-UHFFFAOYSA-N 0 0 345.399 2.946 50 70 EFIARN COc1ccc(OCC2CCN(C(=O)Cc3ccccn3)CC2)cc1 ZINC000218030130 241291553 /nfs/dbraw/zinc/29/15/53/241291553.db2.gz HGQLDLUXDFZSKU-UHFFFAOYSA-N 0 0 340.423 2.950 50 70 EFIARN Cc1nc2ccccc2n1CCC(=O)N[C@H](c1nccn1C)C(C)C ZINC000218190108 241304548 /nfs/dbraw/zinc/30/45/48/241304548.db2.gz ZYEZRBBXXLWSHX-SFHVURJKSA-N 0 0 339.443 2.982 50 70 EFIARN COc1ccc(CCNC(=O)CC2(n3cccc3)CCOCC2)cc1 ZINC000218209229 241306185 /nfs/dbraw/zinc/30/61/85/241306185.db2.gz CKMTWWCCNWJFCV-UHFFFAOYSA-N 0 0 342.439 2.751 50 70 EFIARN O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)CCC2 ZINC000218277319 241310034 /nfs/dbraw/zinc/31/00/34/241310034.db2.gz GFCSZEWGASSUAZ-UFYCRDLUSA-N 0 0 336.435 2.682 50 70 EFIARN Cc1n[nH]c(C)c1CCCNC(=O)CCC(=O)c1ccc(F)cc1 ZINC000218292559 241312536 /nfs/dbraw/zinc/31/25/36/241312536.db2.gz CKVKKAUOWSLCGZ-UHFFFAOYSA-N 0 0 331.391 2.878 50 70 EFIARN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1n[nH]c2c1CCC2 ZINC000218563876 241330392 /nfs/dbraw/zinc/33/03/92/241330392.db2.gz TWNVSGHQKBFDEF-INIZCTEOSA-N 0 0 335.411 2.762 50 70 EFIARN O=C(CCn1cncn1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000218301111 241314099 /nfs/dbraw/zinc/31/40/99/241314099.db2.gz XXSNCNKKOHGZOV-QGZVFWFLSA-N 0 0 341.802 2.622 50 70 EFIARN O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1ccccn1 ZINC000218319217 241314486 /nfs/dbraw/zinc/31/44/86/241314486.db2.gz DTDXCRFEUIDFNG-KJXMEXGPSA-N 0 0 333.391 2.872 50 70 EFIARN Cc1sc(-n2cccc2)nc1C(=O)N[C@H](CO)c1ccccc1 ZINC000218335716 241314518 /nfs/dbraw/zinc/31/45/18/241314518.db2.gz FWUREPRSMCUNDS-CQSZACIVSA-N 0 0 327.409 2.706 50 70 EFIARN Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c(C)n1 ZINC000218350891 241314603 /nfs/dbraw/zinc/31/46/03/241314603.db2.gz OUPCSTLCBLHOQA-MOPGFXCFSA-N 0 0 340.423 2.803 50 70 EFIARN Cc1cccnc1C[C@@H](C)NC(=O)c1ccccc1N1CCOCC1 ZINC000218364888 241316955 /nfs/dbraw/zinc/31/69/55/241316955.db2.gz ZABYDGQIMBNZBY-MRXNPFEDSA-N 0 0 339.439 2.588 50 70 EFIARN Cc1[nH]c2ccccc2c1CC(=O)NCc1ccccc1-n1cncn1 ZINC000218557537 241330921 /nfs/dbraw/zinc/33/09/21/241330921.db2.gz FUXGZNKAGABQSC-UHFFFAOYSA-N 0 0 345.406 2.916 50 70 EFIARN Cc1cc(CNC(=O)[C@@H](c2ccc(F)cc2)N2CCCCC2)[nH]n1 ZINC000218574644 241332196 /nfs/dbraw/zinc/33/21/96/241332196.db2.gz AEQBLZCGVIMQQM-QGZVFWFLSA-N 0 0 330.407 2.701 50 70 EFIARN Cc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)o1 ZINC000218594132 241333025 /nfs/dbraw/zinc/33/30/25/241333025.db2.gz GJIWDXIQYSRPFB-KRWDZBQOSA-N 0 0 332.444 2.818 50 70 EFIARN COCCn1ccc2c1cccc2NC(=O)c1cc(=O)c(OC)co1 ZINC000218607942 241335306 /nfs/dbraw/zinc/33/53/06/241335306.db2.gz GCYSRVGIOWVECT-UHFFFAOYSA-N 0 0 342.351 2.502 50 70 EFIARN Cn1c2ccccc2cc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)c1=O ZINC000217869873 279320445 /nfs/dbraw/zinc/32/04/45/279320445.db2.gz FGIJBPFABTXZRW-LBPRGKRZSA-N 0 0 349.342 2.708 50 70 biogenic EFIARN O=C(N1CCNC1=O)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000217632170 303682531 /nfs/dbraw/zinc/68/25/31/303682531.db2.gz JDMRHAXZZKZCMV-NSHDSACASA-N 0 0 345.346 2.898 50 70 EFIARN O=C(N1CCNC1=O)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000217632089 474142917 /nfs/dbraw/zinc/14/29/17/474142917.db2.gz JDMRHAXZZKZCMV-LLVKDONJSA-N 0 0 345.346 2.898 50 70 EFIARN CC(=O)N[C@H]1C[C@@H](c2cc(NCCn3ccc4ccccc43)ncn2)C1 ZINC000218552031 534672019 /nfs/dbraw/zinc/67/20/19/534672019.db2.gz UAEAWYGABLNWRV-QAQDUYKDSA-N 0 0 349.438 2.926 50 70 EFIARN COC(=O)C[C@@H](c1cccc(O)c1)c1c2[nH]snc-2ccc1=O ZINC000218606763 536313035 /nfs/dbraw/zinc/31/30/35/536313035.db2.gz YWZYPZXHYTWDDM-NSHDSACASA-N 0 0 330.365 2.798 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)c2cccc3ccc(C)nc32)C1 ZINC000217562501 241258835 /nfs/dbraw/zinc/25/88/35/241258835.db2.gz XCDJURPLVNTWBM-CQSZACIVSA-N 0 0 344.436 2.664 50 70 EFIARN COC(=O)CS[C@@H]1CCN(C(=O)CCSc2ccccc2)C1 ZINC000217555672 241259150 /nfs/dbraw/zinc/25/91/50/241259150.db2.gz VQDQNJGNISYCPH-CQSZACIVSA-N 0 0 339.482 2.676 50 70 EFIARN C[C@@H](C(=O)NCc1cc(COc2ccccc2)cs1)n1cncn1 ZINC000217588312 241260880 /nfs/dbraw/zinc/26/08/80/241260880.db2.gz IXZQNNYQKCWXGC-ZDUSSCGKSA-N 0 0 342.424 2.796 50 70 EFIARN COc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)cc1F ZINC000217578484 241260961 /nfs/dbraw/zinc/26/09/61/241260961.db2.gz XWGRBTNXJRBKCN-LJQANCHMSA-N 0 0 329.371 2.862 50 70 EFIARN O=C(CCc1ccccc1F)NC[C@@H](O)c1ccc2c(c1)CCO2 ZINC000217585180 241261189 /nfs/dbraw/zinc/26/11/89/241261189.db2.gz PXZPKOAMDLIZPS-QGZVFWFLSA-N 0 0 329.371 2.543 50 70 EFIARN COc1ccc(C(=O)NC[C@](O)(c2ccccc2)C2CC2)cc1F ZINC000217578552 241261286 /nfs/dbraw/zinc/26/12/86/241261286.db2.gz XWGRBTNXJRBKCN-IBGZPJMESA-N 0 0 329.371 2.862 50 70 EFIARN Cc1noc(-c2ccsc2NC(=O)[C@@H]2COc3ccccc3O2)n1 ZINC000217649422 241264451 /nfs/dbraw/zinc/26/44/51/241264451.db2.gz IXQJMDFYFTXSHO-ZDUSSCGKSA-N 0 0 343.364 2.885 50 70 EFIARN CCOc1cc2c(cc1CN1CCn3nc([C@H](C)O)cc3C1)CCC2 ZINC000216925003 241224035 /nfs/dbraw/zinc/22/40/35/241224035.db2.gz CKPFTHOKJRRUKN-AWEZNQCLSA-N 0 0 341.455 2.840 50 70 EFIARN Cc1onc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1CO ZINC000216949513 241227568 /nfs/dbraw/zinc/22/75/68/241227568.db2.gz UOBCOYQHDIJBFM-UHFFFAOYSA-N 0 0 341.367 2.636 50 70 EFIARN COc1ccc2[nH]c(C(=O)N3CCC(c4noc(C)n4)CC3)cc2c1 ZINC000217057751 241232356 /nfs/dbraw/zinc/23/23/56/241232356.db2.gz SYWQUGADQGFENP-UHFFFAOYSA-N 0 0 340.383 2.888 50 70 EFIARN Cc1nnc(CN(C)C(=O)CO[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000217023734 241233793 /nfs/dbraw/zinc/23/37/93/241233793.db2.gz NQKKESZHQXQEGL-CQSZACIVSA-N 0 0 343.305 2.657 50 70 EFIARN O[C@H](c1cc2n(n1)CCN(Cc1cncn1C1CC1)C2)c1ccccc1 ZINC000217112845 241236677 /nfs/dbraw/zinc/23/66/77/241236677.db2.gz YKCYUEQENXZAQH-FQEVSTJZSA-N 0 0 349.438 2.512 50 70 EFIARN O=C(c1ccc(-c2ccco2)cc1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000217451814 241250535 /nfs/dbraw/zinc/25/05/35/241250535.db2.gz MXQWGPSKYRPGTF-SFHVURJKSA-N 0 0 326.352 2.661 50 70 EFIARN Cc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2ccsc2)c1C ZINC000217541613 241256252 /nfs/dbraw/zinc/25/62/52/241256252.db2.gz USYMOHOORUHQFX-OAHLLOKOSA-N 0 0 332.425 2.543 50 70 EFIARN Cc1cc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)ccc1F ZINC000217535688 241256930 /nfs/dbraw/zinc/25/69/30/241256930.db2.gz CJVFFOMXEXDLQW-CQSZACIVSA-N 0 0 329.418 2.598 50 70 EFIARN Fc1c(Cl)cccc1-c1nnc2sc(Cn3ccnc3)nn21 ZINC000218414036 241322210 /nfs/dbraw/zinc/32/22/10/241322210.db2.gz OKCXBTUWLHQFBU-UHFFFAOYSA-N 0 0 334.767 2.890 50 70 EFIARN Cn1cnnc1SCC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000218557650 241330722 /nfs/dbraw/zinc/33/07/22/241330722.db2.gz WQHDXAICVSBPDH-GFCCVEGCSA-N 0 0 336.848 2.577 50 70 EFIARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc(C2CC2)no1 ZINC000218470330 241324920 /nfs/dbraw/zinc/32/49/20/241324920.db2.gz SMKCQMWOMQVMNC-CRAIPNDOSA-N 0 0 342.395 2.656 50 70 EFIARN COC[C@@H]1[C@H](NC(=O)c2ccc3cccc(Cl)c3n2)[C@@H]2CCO[C@H]12 ZINC000218494215 241327429 /nfs/dbraw/zinc/32/74/29/241327429.db2.gz QGMGUPHLGXJAEH-SONRMIBWSA-N 0 0 346.814 2.668 50 70 EFIARN O=C(NCCc1noc([C@H]2CCCO2)n1)c1ccc(Cl)s1 ZINC000217816340 241277556 /nfs/dbraw/zinc/27/75/56/241277556.db2.gz IYZDVNNFFKBELO-MRVPVSSYSA-N 0 0 327.793 2.609 50 70 EFIARN O=C(NCCn1ccnc1-c1ccccn1)NCc1ccc(F)cc1 ZINC000217863155 241278384 /nfs/dbraw/zinc/27/83/84/241278384.db2.gz VSEYJUNSGKOTFJ-UHFFFAOYSA-N 0 0 339.374 2.584 50 70 EFIARN O=C(NCCn1ccnc1-c1ccccn1)c1cc(-c2ccco2)on1 ZINC000217857265 241279608 /nfs/dbraw/zinc/27/96/08/241279608.db2.gz YVRXFCVRWOKGBR-UHFFFAOYSA-N 0 0 349.350 2.623 50 70 EFIARN CCOc1ccccc1C(=O)NCCn1ccnc1-c1cccnc1 ZINC000217866414 241280703 /nfs/dbraw/zinc/28/07/03/241280703.db2.gz GBRGWYUREZYCJA-UHFFFAOYSA-N 0 0 336.395 2.774 50 70 EFIARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)N1CCOCC1 ZINC000217881290 241280926 /nfs/dbraw/zinc/28/09/26/241280926.db2.gz WBQJKRXYSHUJHB-UHFFFAOYSA-N 0 0 346.456 2.531 50 70 EFIARN C[C@@H](c1nccs1)N(C)C(=O)c1[nH]nc(N)c1-c1ccccc1 ZINC000217895195 241281149 /nfs/dbraw/zinc/28/11/49/241281149.db2.gz VKVZQBAVPJMSPQ-JTQLQIEISA-N 0 0 327.413 2.949 50 70 EFIARN O=C(NCCn1ccnc1-c1cccnc1)c1c(F)cccc1F ZINC000217866628 241281764 /nfs/dbraw/zinc/28/17/64/241281764.db2.gz YOGZQJFGTPNCHI-UHFFFAOYSA-N 0 0 328.322 2.653 50 70 EFIARN Cc1noc(C)c1CCC(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217883112 241282043 /nfs/dbraw/zinc/28/20/43/241282043.db2.gz PLNAHUNDRKNHFK-UHFFFAOYSA-N 0 0 344.440 2.965 50 70 EFIARN O=C(COc1ccc2ccccc2c1)NCC[C@H](O)C1CCOCC1 ZINC000217920030 241283713 /nfs/dbraw/zinc/28/37/13/241283713.db2.gz QJNCFNPUVINZIT-IBGZPJMESA-N 0 0 343.423 2.512 50 70 EFIARN Cc1cc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)on1 ZINC000217942744 241286659 /nfs/dbraw/zinc/28/66/59/241286659.db2.gz KOEVVVDIQIXYND-IBGZPJMESA-N 0 0 338.411 2.667 50 70 EFIARN Cc1nnnn1-c1ccc(C(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000217961565 241288700 /nfs/dbraw/zinc/28/87/00/241288700.db2.gz LTGKJCJXZOKNAC-SFHVURJKSA-N 0 0 348.410 2.733 50 70 biogenic EFIARN CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000218120504 241299842 /nfs/dbraw/zinc/29/98/42/241299842.db2.gz BPNAMXPLRSBAMB-VXGBXAGGSA-N 0 0 337.725 2.893 50 70 EFIARN O=C(Cc1cccnc1)N1CCN(c2nsc3ccccc32)CC1 ZINC000218120920 241300119 /nfs/dbraw/zinc/30/01/19/241300119.db2.gz JOASMNFNPSDZOZ-UHFFFAOYSA-N 0 0 338.436 2.583 50 70 EFIARN COc1ccc(-c2nc3c([nH]2)CN(c2cc(C4CC4)ncn2)CC3)cn1 ZINC000218128491 241300361 /nfs/dbraw/zinc/30/03/61/241300361.db2.gz KFKRJQWRADAQOH-UHFFFAOYSA-N 0 0 348.410 2.710 50 70 EFIARN CSc1nc(C(=O)N(C)Cc2nc(-c3ccncc3)no2)cs1 ZINC000218251767 241307803 /nfs/dbraw/zinc/30/78/03/241307803.db2.gz OVAPXNPTSGEAKG-UHFFFAOYSA-N 0 0 347.425 2.582 50 70 EFIARN O=C(NCCc1nccc(-c2ccccc2)n1)c1ccn(C(F)F)n1 ZINC000218334324 241314547 /nfs/dbraw/zinc/31/45/47/241314547.db2.gz NARXKKVLQVGKCX-UHFFFAOYSA-N 0 0 343.337 2.708 50 70 EFIARN CC(C)[C@@H](CO)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000218330480 241314788 /nfs/dbraw/zinc/31/47/88/241314788.db2.gz KIXPBOIPEUURGN-MRXNPFEDSA-N 0 0 343.452 2.738 50 70 EFIARN Cc1nc(-c2ccc(CNC(=O)CSc3ccncc3)cc2)no1 ZINC000218335580 241315834 /nfs/dbraw/zinc/31/58/34/241315834.db2.gz ZFNOMWMFBHVPQX-UHFFFAOYSA-N 0 0 340.408 2.849 50 70 EFIARN O=C(CCCc1nc(-c2ccco2)no1)N[C@H](CO)c1ccccc1 ZINC000218353378 241316131 /nfs/dbraw/zinc/31/61/31/241316131.db2.gz JYAOCYLMBXUEGB-CQSZACIVSA-N 0 0 341.367 2.502 50 70 EFIARN Cc1nc(C)c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)s1 ZINC000218610767 241334590 /nfs/dbraw/zinc/33/45/90/241334590.db2.gz IJHGDODACGUKNI-HZPDHXFCSA-N 0 0 346.452 2.864 50 70 EFIARN CCOc1ncccc1C(=O)N[C@H](C)c1nncn1C1CCCC1 ZINC000218622546 241335619 /nfs/dbraw/zinc/33/56/19/241335619.db2.gz OZHUCVXPPCXBDU-GFCCVEGCSA-N 0 0 329.404 2.678 50 70 EFIARN COc1cc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc2c1OCO2 ZINC000217722038 286247927 /nfs/dbraw/zinc/24/79/27/286247927.db2.gz SEFPHEUEPMVSHD-SNVBAGLBSA-N 0 0 342.303 2.594 50 70 biogenic EFIARN Cc1noc(C)c1C(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217590274 293920248 /nfs/dbraw/zinc/92/02/48/293920248.db2.gz HOCMCKMHZLODTK-GOSISDBHSA-N 0 0 326.352 2.593 50 70 EFIARN C[C@@H](NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1-n1cccn1 ZINC000159756000 473058070 /nfs/dbraw/zinc/05/80/70/473058070.db2.gz ZTPMCGGPGDCUNJ-CYBMUJFWSA-N 0 0 335.411 2.965 50 70 EFIARN C[C@H](NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1-n1cccn1 ZINC000159755876 473058383 /nfs/dbraw/zinc/05/83/83/473058383.db2.gz ZTPMCGGPGDCUNJ-ZDUSSCGKSA-N 0 0 335.411 2.965 50 70 EFIARN COC(=O)[C@@H](CCSC)NC(=O)c1ccccc1-n1cccc1 ZINC000216664443 474140521 /nfs/dbraw/zinc/14/05/21/474140521.db2.gz ASMBVPLTUXJOIO-CQSZACIVSA-N 0 0 332.425 2.502 50 70 EFIARN O=C(Cn1ccc2ccccc21)Nc1cnn(CC2CCOCC2)c1 ZINC000218196727 474144715 /nfs/dbraw/zinc/14/47/15/474144715.db2.gz XLNMZPCZSFPVES-UHFFFAOYSA-N 0 0 338.411 2.903 50 70 EFIARN CC(C)n1cc(C(=O)Nc2nnc(C3CC3)[nH]2)c2ccccc2c1=O ZINC000218269796 535057011 /nfs/dbraw/zinc/05/70/11/535057011.db2.gz RLLJIXXAKAWMQO-UHFFFAOYSA-N 0 0 337.383 2.830 50 70 EFIARN CC(C)c1cc([C@H]2CCCN2C(=O)CN(C)Cc2cccnc2)no1 ZINC000218000746 535370299 /nfs/dbraw/zinc/37/02/99/535370299.db2.gz IAMCPEJTEMXQDE-QGZVFWFLSA-N 0 0 342.443 2.989 50 70 EFIARN CC[C@H](NC(=O)c1c(C)[nH]c(C(C)=O)c1C)c1cn2cccnc2n1 ZINC000217448693 535856977 /nfs/dbraw/zinc/85/69/77/535856977.db2.gz IDTGLGSVVOAQRE-ZDUSSCGKSA-N 0 0 339.399 2.758 50 70 EFIARN CC[C@H](NS(=O)(=O)c1cc(C)c(F)cc1Cl)C1CC(O)C1 ZINC000218300018 535927757 /nfs/dbraw/zinc/92/77/57/535927757.db2.gz BBHRCBCNMZQUAX-ZPPKWKGLSA-N 0 0 335.828 2.615 50 70 EFIARN CC[C@@H]1[C@@H](NC(=O)c2cc(OC)nc3ccccc32)[C@@H]2CCO[C@H]12 ZINC000218720543 535958341 /nfs/dbraw/zinc/95/83/41/535958341.db2.gz DJGUBPVUMFBPMS-CWMCZYRISA-N 0 0 326.396 2.787 50 70 EFIARN COC(=O)C[C@@H](c1ccc(OC)cc1)c1cc2c(cc1O)OCO2 ZINC000217964605 536313451 /nfs/dbraw/zinc/31/34/51/536313451.db2.gz VTNSPQRYYUWLHL-ZDUSSCGKSA-N 0 0 330.336 2.825 50 70 biogenic EFIARN CN(CCc1ccncc1)C(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000217793926 536411403 /nfs/dbraw/zinc/41/14/03/536411403.db2.gz RNEUZABZPGVBRK-SFHVURJKSA-N 0 0 343.471 2.654 50 70 EFIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(O)c1 ZINC000218283908 537024181 /nfs/dbraw/zinc/02/41/81/537024181.db2.gz DSYOROYHETWWFM-CQSZACIVSA-N 0 0 343.335 2.650 50 70 EFIARN COc1ccc2c(cc(C(=O)Nc3nnc(CC(C)C)[nH]3)n2C)c1 ZINC000218490337 537029528 /nfs/dbraw/zinc/02/95/28/537029528.db2.gz YNFWAILCWRBJQU-UHFFFAOYSA-N 0 0 327.388 2.756 50 70 EFIARN Cc1ccc2occ([C@H]3CC(=O)Oc4cc(C)oc(=O)c43)c(=O)c2c1 ZINC000218114262 545559858 /nfs/dbraw/zinc/55/98/58/545559858.db2.gz LPRKHKQUAUJEEA-LLVKDONJSA-N 0 0 338.315 2.804 50 70 biogenic EFIARN