smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)n1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2NS(C)(=O)=O)c1 ZINC000218625805 206371222 /nfs/dbraw/zinc/37/12/22/206371222.db2.gz TUWLUWJAVZINFG-XJFOESAGSA-N 0 0 355.460 0.678 50 70 FCIARN CN(CC(=O)N1CCCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000218755729 206373467 /nfs/dbraw/zinc/37/34/67/206373467.db2.gz OBSRWSFYRJUHGN-QGZVFWFLSA-N 0 0 365.499 0.844 50 70 FCIARN COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2OC ZINC000216924820 206360601 /nfs/dbraw/zinc/36/06/01/206360601.db2.gz HHJYREFQAWOQLZ-HBYGRHMLSA-N 0 0 354.428 0.840 50 70 FCIARN O=c1cc(CN2CCn3nc(CO)cc3C2)nc2sc(C3CC3)nn21 ZINC000217543459 206363628 /nfs/dbraw/zinc/36/36/28/206363628.db2.gz HLHCKMCHNCOSSR-UHFFFAOYSA-N 0 0 358.427 0.733 50 70 FCIARN Cc1nc2c(c(=O)n1C)CN(C(=O)C1(N3CCOCC3)CCCCC1)C2 ZINC000217613538 206364037 /nfs/dbraw/zinc/36/40/37/206364037.db2.gz XMEYMSXRNVOHFY-UHFFFAOYSA-N 0 0 360.458 0.966 50 70 FCIARN Cc1nonc1C(=O)N1CCCn2nc([C@@H](O)c3ccnn3C)cc2C1 ZINC000218111877 206367006 /nfs/dbraw/zinc/36/70/06/206367006.db2.gz GROUSIHYCCAUPG-OAHLLOKOSA-N 0 0 357.374 0.436 50 70 FCIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnc(N3CCOCC3)nc1)C2 ZINC000217469408 132272039 /nfs/dbraw/zinc/27/20/39/132272039.db2.gz SUKZZHVQEATYFD-GFCCVEGCSA-N 0 0 358.402 0.219 50 70 FCIARN CCOc1ccc(CCCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1C ZINC000217131095 263459078 /nfs/dbraw/zinc/45/90/78/263459078.db2.gz DDLGZJTVPYEIIZ-HUUCEWRRSA-N 0 0 355.456 0.991 50 70 FCIARN CCOCCn1nc(C)cc1C(=O)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000217642710 520070892 /nfs/dbraw/zinc/07/08/92/520070892.db2.gz NNODJWLCPLXDFT-MRXNPFEDSA-N 0 0 363.418 0.106 50 70 FCIARN CC(=O)N[C@H]1C[C@H](c2cc(N3CCN(Cc4nc[nH]n4)CC3)ncn2)C1 ZINC000218058749 534672725 /nfs/dbraw/zinc/67/27/25/534672725.db2.gz YEDDLLGPAAROLI-OKILXGFUSA-N 0 0 356.434 0.299 50 70 FCIARN C[C@@H](NC(=O)CCn1ccc(=O)[nH]c1=O)c1ccc2c(c1)OCCCO2 ZINC000218303291 525095265 /nfs/dbraw/zinc/09/52/65/525095265.db2.gz YLQPNYRJMRLHHQ-GFCCVEGCSA-N 0 0 359.382 0.965 50 70 FCIARN Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCc2nnnn2-c2ccccc2)n1 ZINC000217635293 526122363 /nfs/dbraw/zinc/12/23/63/526122363.db2.gz AYMJQRCOBACBSN-NSHDSACASA-N 0 0 371.426 0.851 50 70 FCIARN O=C(NCCSc1nc[nH]n1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000218245126 526376707 /nfs/dbraw/zinc/37/67/07/526376707.db2.gz ORBXJYHLHVRLDV-UHFFFAOYSA-N 0 0 360.443 0.960 50 70 FCIARN O=C(CCN1Cc2ccccc2C1=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000217199743 526495519 /nfs/dbraw/zinc/49/55/19/526495519.db2.gz WDYUNMKEARKEHM-UHFFFAOYSA-N 0 0 363.381 0.924 50 70 FCIARN Cc1noc(CCCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1 ZINC000217787831 526604074 /nfs/dbraw/zinc/60/40/74/526604074.db2.gz CXRZGWUZOCIORT-AWEZNQCLSA-N 0 0 371.397 0.958 50 70 biogenic FCIARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(CCOc2ccccc2)CC1 ZINC000217178407 526670784 /nfs/dbraw/zinc/67/07/84/526670784.db2.gz HLELSJZHKRLGAX-UHFFFAOYSA-N 0 0 372.425 0.150 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/nfs/dbraw/zinc/36/26/20/206362620.db2.gz GXFUAMAGAXWERY-AWEZNQCLSA-N 0 0 353.806 0.700 50 70 FCIARN O=S(=O)(c1cccc2c1OCCO2)N1CCn2nc(CO)cc2C1 ZINC000217095823 206363213 /nfs/dbraw/zinc/36/32/13/206363213.db2.gz DEBADBYUMSLWLA-UHFFFAOYSA-N 0 0 351.384 0.351 50 70 FCIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 ZINC000217529163 206364471 /nfs/dbraw/zinc/36/44/71/206364471.db2.gz CLTSCAZESYDZDU-VIFPVBQESA-N 0 0 355.354 0.122 50 70 FCIARN C[C@@H](NC(=O)c1c[nH]c2ncnn2c1=O)c1ccc(-n2cncn2)cc1 ZINC000217581308 206364654 /nfs/dbraw/zinc/36/46/54/206364654.db2.gz TTYZXLFBTQABSV-SNVBAGLBSA-N 0 0 350.342 0.489 50 70 FCIARN Cn1nc(CNC(=O)CCn2ccc(=O)[nH]c2=O)c2c1cccc2Cl ZINC000218103131 206367106 /nfs/dbraw/zinc/36/71/06/206367106.db2.gz SOVSLMZMDJNXDF-UHFFFAOYSA-N 0 0 361.789 0.783 50 70 FCIARN CNc1ccnc(N2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n1 ZINC000218117797 206367255 /nfs/dbraw/zinc/36/72/55/206367255.db2.gz JCVZQLKERIGTML-INIZCTEOSA-N 0 0 354.418 0.940 50 70 FCIARN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 ZINC000217986781 206367304 /nfs/dbraw/zinc/36/73/04/206367304.db2.gz VJQUSACQYDIKSP-UBHUBRDASA-N 0 0 353.448 0.561 50 70 FCIARN COC[C@@H]1[C@H](NS(=O)(=O)c2cccc3nn(C)nc32)[C@@H]2CCO[C@H]12 ZINC000218202875 206368910 /nfs/dbraw/zinc/36/89/10/206368910.db2.gz QAVCEWDHGCNZLM-VWFLFCASSA-N 0 0 352.416 0.297 50 70 FCIARN CN(Cc1[nH]nc2c1CCCCC2)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000218274416 523544183 /nfs/dbraw/zinc/54/41/83/523544183.db2.gz IULBORXQBSYNNK-ZDUSSCGKSA-N 0 0 368.503 0.756 50 70 FCIARN CN1CCN(C)[C@@H](CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000217464310 523885257 /nfs/dbraw/zinc/88/52/57/523885257.db2.gz CKTKYEQJZYRSSR-AWEZNQCLSA-N 0 0 357.451 0.352 50 70 FCIARN COc1ccc2nnc(CCC(=O)N[C@H](CO)Cc3ccccc3)n2n1 ZINC000218181224 525681937 /nfs/dbraw/zinc/68/19/37/525681937.db2.gz RMYIEPLRYXVCDL-AWEZNQCLSA-N 0 0 355.398 0.785 50 70 FCIARN COc1cccc(CN2CCN(C(=O)CCC3=NNC(=O)CC3)CC2=O)c1 ZINC000217371051 525941691 /nfs/dbraw/zinc/94/16/91/525941691.db2.gz GIXRQLCLUMIIBN-UHFFFAOYSA-N 0 0 372.425 0.912 50 70 FCIARN Cc1ccc2c(c1)N(CC(=O)NCCc1nc(N)cc(=O)[nH]1)C(=O)CO2 ZINC000218110235 526167739 /nfs/dbraw/zinc/16/77/39/526167739.db2.gz JRMJTFJYJJWOEG-UHFFFAOYSA-N 0 0 357.370 0.157 50 70 FCIARN Cc1nnnn1[C@H](C(=O)NCCSc1nncn1C)c1ccccc1 ZINC000217696347 526438086 /nfs/dbraw/zinc/43/80/86/526438086.db2.gz XLOIQWSGVCUOME-ZDUSSCGKSA-N 0 0 358.431 0.608 50 70 FCIARN Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)Cn1ccccc1=O ZINC000218317553 526520088 /nfs/dbraw/zinc/52/00/88/526520088.db2.gz DNPQSOXFSBGYNF-CVEARBPZSA-N 0 0 361.398 0.944 50 70 FCIARN Cc1nc(SCC(=O)NCCn2[nH]c(=O)c3ccccc3c2=O)n[nH]1 ZINC000218370782 526529459 /nfs/dbraw/zinc/52/94/59/526529459.db2.gz IPVJXHMXUPWAMZ-UHFFFAOYSA-N 0 0 360.399 0.025 50 70 FCIARN O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000218406816 526538768 /nfs/dbraw/zinc/53/87/68/526538768.db2.gz IWHHYAGCFMVDID-UHFFFAOYSA-N 0 0 363.443 0.313 50 70 FCIARN O=C(CN1CCn2nc([C@H](O)c3ccccc3)cc2C1)N1CCOCC1 ZINC000217769988 526816410 /nfs/dbraw/zinc/81/64/10/526816410.db2.gz VABLAHZBZBUTDG-LJQANCHMSA-N 0 0 356.426 0.639 50 70 FCIARN Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)CCN2CCCCCC2=O)C1 ZINC000216988051 527063172 /nfs/dbraw/zinc/06/31/72/527063172.db2.gz MIOHUNQTSVTKDO-CQSZACIVSA-N 0 0 363.462 0.806 50 70 FCIARN Cn1cc(CNC(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)cn1 ZINC000217201032 527215421 /nfs/dbraw/zinc/21/54/21/527215421.db2.gz SSKVOKJFOCLIKB-AWEZNQCLSA-N 0 0 354.414 0.808 50 70 FCIARN Cn1cc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cn1 ZINC000218551132 527312854 /nfs/dbraw/zinc/31/28/54/527312854.db2.gz WHMBHTKBDWDACR-AWEZNQCLSA-N 0 0 367.409 0.970 50 70 FCIARN Cc1cc(=O)c2ccccc2n1CC(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000218601589 206372094 /nfs/dbraw/zinc/37/20/94/206372094.db2.gz NGIJAJPUPQOHHE-UHFFFAOYSA-N 0 0 353.382 0.747 50 70 FCIARN COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCn1cnc2ccccc2c1=O ZINC000217604134 206364722 /nfs/dbraw/zinc/36/47/22/206364722.db2.gz GIILRFFLWDZSTO-SWLSCSKDSA-N 0 0 359.382 0.576 50 70 FCIARN Cc1noc2nc(C)cc(C(=O)N3CCn4nc([C@@H](O)CO)cc4C3)c12 ZINC000217709967 206366248 /nfs/dbraw/zinc/36/62/48/206366248.db2.gz YGLLBIVSDMWBPO-AWEZNQCLSA-N 0 0 357.370 0.718 50 70 FCIARN O=C(CCSc1ccc2c(c1)OCCO2)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000217126469 263459354 /nfs/dbraw/zinc/45/93/54/263459354.db2.gz LKXIDZKWNZRCAJ-VXGBXAGGSA-N 0 0 373.452 0.214 50 70 FCIARN CN1C[C@H](NC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CCC1=O ZINC000159678118 488786906 /nfs/dbraw/zinc/78/69/06/488786906.db2.gz HNOKVZLHROUXPK-QZTJIDSGSA-N 0 0 374.485 0.850 50 70 FCIARN CC[C@H](c1ccncc1)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000159737759 488787307 /nfs/dbraw/zinc/78/73/07/488787307.db2.gz XKDUEPIHPFWNBJ-GFCCVEGCSA-N 0 0 352.416 0.251 50 70 FCIARN CN(C)Cc1nc(C(=O)N2CCCn3nc([C@@H](O)CO)cc3C2)cs1 ZINC000217499312 521938780 /nfs/dbraw/zinc/93/87/80/521938780.db2.gz UIOHOQPTVCWSED-AWEZNQCLSA-N 0 0 365.459 0.473 50 70 FCIARN CN(C)S(=O)(=O)c1ccc(C(=O)NCC[C@@H](O)C2CCOCC2)cc1 ZINC000217920477 521978592 /nfs/dbraw/zinc/97/85/92/521978592.db2.gz UESXWGIFEQLRKX-MRXNPFEDSA-N 0 0 370.471 0.844 50 70 FCIARN CCc1nccn1CCC(=O)N1CCN(c2ccnc3nncn32)CC1 ZINC000217174086 522583105 /nfs/dbraw/zinc/58/31/05/522583105.db2.gz PBPVQANCJRZAAZ-UHFFFAOYSA-N 0 0 354.418 0.622 50 70 FCIARN CCn1nccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000218591634 523744603 /nfs/dbraw/zinc/74/46/03/523744603.db2.gz LTMJXUZCZAZGTR-HUUCEWRRSA-N 0 0 366.443 0.951 50 70 FCIARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCc1cnn(-c2cccc(F)c2)c1 ZINC000217398991 525401467 /nfs/dbraw/zinc/40/14/67/525401467.db2.gz XOSBKYMFVIJJOH-UHFFFAOYSA-N 0 0 357.345 0.555 50 70 FCIARN O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000218182186 526562150 /nfs/dbraw/zinc/56/21/50/526562150.db2.gz RIJJYGSUTKBGFO-RYUDHWBXSA-N 0 0 370.369 0.783 50 70 FCIARN O=C(c1c[nH]c(=O)c(Cl)c1)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217407735 526579934 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/nfs/dbraw/zinc/36/59/12/206365912.db2.gz VIWZEVMIROYDFF-NSHDSACASA-N 0 0 358.358 0.421 50 70 biogenic FCIARN CC(=O)N1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)CC1 ZINC000217682921 206366418 /nfs/dbraw/zinc/36/64/18/206366418.db2.gz NTQXEZNPSANUGK-GOOCMWNKSA-N 0 0 357.476 0.316 50 70 FCIARN COc1cncc([C@H](NC(=O)CCN(C)S(C)(=O)=O)[C@H]2C[C@@H](O)C2)c1 ZINC000218088373 206367336 /nfs/dbraw/zinc/36/73/36/206367336.db2.gz FGFONQCSTKOJEJ-AXAPSJFSSA-N 0 0 371.459 0.300 50 70 FCIARN CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000218507131 206369791 /nfs/dbraw/zinc/36/97/91/206369791.db2.gz WAZWUKHBUVKYLS-AWEZNQCLSA-N 0 0 354.428 0.324 50 70 FCIARN O=C(CCc1[nH]nc2c1CCCC2)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000217049269 488441540 /nfs/dbraw/zinc/44/15/40/488441540.db2.gz BFJUBWSUKGXVGD-QGZVFWFLSA-N 0 0 359.430 0.486 50 70 FCIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]cn3)C2=O)cc1 ZINC000218019594 524394562 /nfs/dbraw/zinc/39/45/62/524394562.db2.gz WSBUCMMFLXMVTE-HNNXBMFYSA-N 0 0 371.397 0.982 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/nfs/dbraw/zinc/37/20/26/206372026.db2.gz LWPUWXHEQCQJAI-STQMWFEESA-N 0 0 369.343 0.806 50 70 FCIARN COc1ccc(-c2nc3c([nH]2)CN(CC(=O)N2CCN(C)CC2)CC3)cn1 ZINC000218600743 206372440 /nfs/dbraw/zinc/37/24/40/206372440.db2.gz YUSIMOQZGNHBNI-UHFFFAOYSA-N 0 0 370.457 0.612 50 70 FCIARN Cn1cccc(C(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)c1=O ZINC000217979975 206367869 /nfs/dbraw/zinc/36/78/69/206367869.db2.gz XVLDITBHDCSGAO-AWEZNQCLSA-N 0 0 355.350 0.835 50 70 FCIARN COC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O ZINC000218268095 206368940 /nfs/dbraw/zinc/36/89/40/206368940.db2.gz LWMBDXXFZSIZMT-JTQLQIEISA-N 0 0 363.345 0.736 50 70 FCIARN Cc1nccc(C(=O)N2CCn3nc([C@H](O)c4ccnn4C)cc3C2)n1 ZINC000218514066 206369762 /nfs/dbraw/zinc/36/97/62/206369762.db2.gz ZFPYJYAWQWRURP-INIZCTEOSA-N 0 0 353.386 0.453 50 70 FCIARN COc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCO)c(C)cc1C ZINC000218406283 206370298 /nfs/dbraw/zinc/37/02/98/206370298.db2.gz POQQNFJQSOROQS-UKRRQHHQSA-N 0 0 359.444 0.757 50 70 FCIARN CO[C@@H]1CCOC[C@H]1NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 ZINC000218373213 132272656 /nfs/dbraw/zinc/27/26/56/132272656.db2.gz ZFHBIQOJTSXRCF-GDBMZVCRSA-N 0 0 368.455 0.455 50 70 FCIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3c(c1)N(C)C(=O)CO3)C2 ZINC000217925403 132272798 /nfs/dbraw/zinc/27/27/98/132272798.db2.gz OUTACTNMLVCSJB-LLVKDONJSA-N 0 0 356.382 0.948 50 70 FCIARN O=C(CCc1nc2ccccc2[nH]1)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000217044196 488441747 /nfs/dbraw/zinc/44/17/47/488441747.db2.gz LVHWMIAXTDBEKZ-MRXNPFEDSA-N 0 0 355.398 0.760 50 70 FCIARN CN(CC(=O)NCc1nnc(-c2ccccc2)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000217545380 522491795 /nfs/dbraw/zinc/49/17/95/522491795.db2.gz QHUGLJYHNSFGMN-CYBMUJFWSA-N 0 0 363.443 0.207 50 70 FCIARN O=c1cc(CN2CCCn3nc([C@@H](O)CO)cc3C2)nc2sccn21 ZINC000217661201 527477442 /nfs/dbraw/zinc/47/74/42/527477442.db2.gz YDATYEFVLGEBJP-AWEZNQCLSA-N 0 0 361.427 0.384 50 70 FCIARN CCc1nnc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)s1 ZINC000218618414 206371972 /nfs/dbraw/zinc/37/19/72/206371972.db2.gz DSTYCSWUWHBPRU-UHFFFAOYSA-N 0 0 356.429 0.687 50 70 FCIARN O=C(CCS(=O)(=O)c1ccccc1)N1CCCn2nc(CO)cc2C1 ZINC000216945898 206361083 /nfs/dbraw/zinc/36/10/83/206361083.db2.gz KMSNNPWTQVUZIA-UHFFFAOYSA-N 0 0 363.439 0.972 50 70 FCIARN CCN1CCN(C(=O)NCCn2nc(-c3ccncc3)cc2C)C(=O)C1=O ZINC000217870927 206365683 /nfs/dbraw/zinc/36/56/83/206365683.db2.gz SIFCQOAIRNONEN-UHFFFAOYSA-N 0 0 370.413 0.654 50 70 FCIARN Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000218323274 206368622 /nfs/dbraw/zinc/36/86/22/206368622.db2.gz QXUHIEMODVKPDW-SECBINFHSA-N 0 0 356.338 0.589 50 70 FCIARN CN(C)C(=O)CO[C@@H]1COCC[C@H]1NC(=O)Cc1cn2ccsc2n1 ZINC000218303143 206368935 /nfs/dbraw/zinc/36/89/35/206368935.db2.gz DBYDIZGGSTUGDI-CHWSQXEVSA-N 0 0 366.443 0.317 50 70 FCIARN O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccn2nnnc2c1 ZINC000218373113 206369986 /nfs/dbraw/zinc/36/99/86/206369986.db2.gz AWNNRURTCDXWQY-CHWSQXEVSA-N 0 0 360.399 0.685 50 70 FCIARN Cc1n[nH]c(C)c1[C@@H](N)C(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000217750573 132272467 /nfs/dbraw/zinc/27/24/67/132272467.db2.gz KNZSGQSLOGJHKI-MRXNPFEDSA-N 0 0 354.418 0.418 50 70 FCIARN Cc1ccc(N(CC(=O)N(C)C[C@@H]2COCCO2)S(C)(=O)=O)cc1 ZINC000217355949 524889451 /nfs/dbraw/zinc/88/94/51/524889451.db2.gz JHUVFKHVIBVIEH-OAHLLOKOSA-N 0 0 356.444 0.635 50 70 FCIARN C[C@H](O)c1cc2n(n1)CCN(C(=O)c1cnn3cc(CCO)cnc13)C2 ZINC000217516759 525851648 /nfs/dbraw/zinc/85/16/48/525851648.db2.gz ZWYZJNKBRSFEAH-NSHDSACASA-N 0 0 356.386 0.170 50 70 FCIARN C[C@@H](O)c1cc2n(n1)CCN(Cc1ccc(CN(C)S(C)(=O)=O)o1)C2 ZINC000216980468 525864036 /nfs/dbraw/zinc/86/40/36/525864036.db2.gz WRSJHKCAGCSBDW-GFCCVEGCSA-N 0 0 368.459 0.937 50 70 FCIARN Cc1nnnn1Cc1ccc(C(=O)N2CCn3nc(CO)cc3C2)cc1 ZINC000217732413 526436700 /nfs/dbraw/zinc/43/67/00/526436700.db2.gz RPEMDNXCXXTOMD-UHFFFAOYSA-N 0 0 353.386 0.375 50 70 FCIARN Cc1nc(C2CCN(C(=O)CCN(C)[C@@H]3CCS(=O)(=O)C3)CC2)no1 ZINC000217364087 526776069 /nfs/dbraw/zinc/77/60/69/526776069.db2.gz RLUDLVGFPMPKCB-CQSZACIVSA-N 0 0 370.475 0.593 50 70 FCIARN NC(=O)C[C@@H](c1cccc(O)c1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000218090750 526903798 /nfs/dbraw/zinc/90/37/98/526903798.db2.gz WPBAXRLVFFQEST-HNNXBMFYSA-N 0 0 374.393 0.891 50 70 biogenic FCIARN Cn1c(Cn2cccn2)nnc1[C@H]1C[C@@H](NC(=O)c2ccc(N)nc2)C1 ZINC000218222029 527070501 /nfs/dbraw/zinc/07/05/01/527070501.db2.gz NKQUPFQHGBGJQP-JOCQHMNTSA-N 0 0 352.402 0.713 50 70 FCIARN Cn1c(Cn2cccn2)nnc1[C@H]1C[C@@H](NC(=O)CCN2CCCO2)C1 ZINC000218204194 527070744 /nfs/dbraw/zinc/07/07/44/527070744.db2.gz BRDLBVROEVTLEK-HDJSIYSDSA-N 0 0 359.434 0.450 50 70 FCIARN NC(=O)c1noc(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)n1 ZINC000217742131 527104694 /nfs/dbraw/zinc/10/46/94/527104694.db2.gz WBHQITPIJXWWBQ-OAHLLOKOSA-N 0 0 354.370 0.463 50 70 FCIARN Cc1nc(SCCNC(=O)Cc2ccc(S(C)(=O)=O)cc2)n[nH]1 ZINC000218644326 206371415 /nfs/dbraw/zinc/37/14/15/206371415.db2.gz HMOWBTCBLJCTHX-UHFFFAOYSA-N 0 0 354.457 0.968 50 70 FCIARN Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000218751764 206373956 /nfs/dbraw/zinc/37/39/56/206373956.db2.gz QCWLXNOLKACXSC-CHWSQXEVSA-N 0 0 372.472 0.838 50 70 FCIARN Cc1nc2ccc(C)cn2c1C(=O)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000217497829 206362658 /nfs/dbraw/zinc/36/26/58/206362658.db2.gz ONSSTHGCIWLOQS-OAHLLOKOSA-N 0 0 355.398 0.829 50 70 FCIARN O=C(CCn1c(=O)[nH]c2ccccc21)N1CCCn2nc(CO)cc2C1 ZINC000217107642 206363354 /nfs/dbraw/zinc/36/33/54/206363354.db2.gz ZUPBEPAQPQPXEX-UHFFFAOYSA-N 0 0 355.398 0.841 50 70 FCIARN Cn1c(=O)c(CN2CCn3nc([C@@H](O)CO)cc3C2)cc2ccccc21 ZINC000217141574 206363418 /nfs/dbraw/zinc/36/34/18/206363418.db2.gz AKAQFBQDBAVRNK-SFHVURJKSA-N 0 0 354.410 0.777 50 70 FCIARN CCn1nc(CO)c2c1CCN(C(=O)Cn1cnc3ccsc3c1=O)C2 ZINC000218489966 206369640 /nfs/dbraw/zinc/36/96/40/206369640.db2.gz BCUMHPLJZDYOFQ-UHFFFAOYSA-N 0 0 373.438 0.752 50 70 FCIARN Cc1noc(C)c1CC(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 ZINC000217652845 132272443 /nfs/dbraw/zinc/27/24/43/132272443.db2.gz QFGNDMUUNGSALK-UHFFFAOYSA-N 0 0 368.401 0.553 50 70 FCIARN CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)COCc1nc2ccccc2[nH]1 ZINC000218204664 519701443 /nfs/dbraw/zinc/70/14/43/519701443.db2.gz ATSFNBSAZYIEMK-JZDMUPLMSA-N 0 0 358.398 0.488 50 70 FCIARN CN(CC(=O)N1CCN(c2ccnc3nncn32)CC1)Cc1ccccn1 ZINC000217474505 522443447 /nfs/dbraw/zinc/44/34/47/522443447.db2.gz CBYKHESHYSOYSC-UHFFFAOYSA-N 0 0 366.429 0.300 50 70 FCIARN COc1cc2c(cc1CN1CCn3nc([C@H](O)CO)cc3C1)OCCO2 ZINC000216967152 522999643 /nfs/dbraw/zinc/99/96/43/522999643.db2.gz BQFIIXDSGTTXKD-OAHLLOKOSA-N 0 0 361.398 0.704 50 70 FCIARN O=C(NCCc1nccc(-c2ccccc2)n1)c1c[nH]nc1-n1cnnn1 ZINC000217199618 526462257 /nfs/dbraw/zinc/46/22/57/526462257.db2.gz XSVRMBNHYCIWLO-UHFFFAOYSA-N 0 0 361.369 0.815 50 70 FCIARN NC(=O)C[C@@H](c1cccnc1)c1oc(CN2CCOCC2)cc(=O)c1O ZINC000218523957 526903350 /nfs/dbraw/zinc/90/33/50/526903350.db2.gz ANLTWFNASFJRHW-AWEZNQCLSA-N 0 0 359.382 0.580 50 70 FCIARN O=C(COc1ncnc2ccccc21)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000217359178 527004231 /nfs/dbraw/zinc/00/42/31/527004231.db2.gz WQOLVGYTFQBFKN-UHFFFAOYSA-N 0 0 366.381 0.441 50 70 FCIARN Cn1ccnc1CN1CCN(C(=O)[C@@H](c2ccccc2)n2cnnn2)CC1 ZINC000217556938 527432312 /nfs/dbraw/zinc/43/23/12/527432312.db2.gz CSVSDRVNNPKMKG-QGZVFWFLSA-N 0 0 366.429 0.340 50 70 FCIARN COC(=O)c1cc(NC2=CC(=O)N(C(C)=O)C2)ccc1N1CCOCC1 ZINC000218517591 536563621 /nfs/dbraw/zinc/56/36/21/536563621.db2.gz ZFPUSAXEOXSHRM-UHFFFAOYSA-N 0 0 359.382 0.994 50 70 FCIARN COc1ncccc1C(=O)N1CCCN(S(=O)(=O)N2CCCC2)CC1 ZINC000217145667 206362273 /nfs/dbraw/zinc/36/22/73/206362273.db2.gz SHRWBABIFCGIGX-UHFFFAOYSA-N 0 0 368.459 0.579 50 70 FCIARN Cc1nc2ccc(C)cn2c1C(=O)N1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217497759 206362349 /nfs/dbraw/zinc/36/23/49/206362349.db2.gz ONSSTHGCIWLOQS-HNNXBMFYSA-N 0 0 355.398 0.829 50 70 FCIARN Cc1ccc(O)c(CN2CCn3nc([C@@H](O)CC(=O)N(C)C)cc3C2)n1 ZINC000218126757 206367917 /nfs/dbraw/zinc/36/79/17/206367917.db2.gz HBZTWOWWGVSORR-KRWDZBQOSA-N 0 0 359.430 0.820 50 70 FCIARN CS(=O)(=O)N1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1 ZINC000218405099 206369693 /nfs/dbraw/zinc/36/96/93/206369693.db2.gz HJVWEODDEQQLNH-UHFFFAOYSA-N 0 0 355.460 0.488 50 70 FCIARN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCc3n[nH]cc3C2)o1 ZINC000217137500 488442251 /nfs/dbraw/zinc/44/22/51/488442251.db2.gz JTXULARJNISEGO-INIZCTEOSA-N 0 0 357.414 0.587 50 70 FCIARN CN(CC(=O)NCc1nnc(-c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000217819549 522492503 /nfs/dbraw/zinc/49/25/03/522492503.db2.gz VGBGBYZRLWLMTE-ZDUSSCGKSA-N 0 0 364.427 0.472 50 70 FCIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCn3cccn3)C2=O)cc1 ZINC000218540434 524395010 /nfs/dbraw/zinc/39/50/10/524395010.db2.gz OURSNOBNCREMFW-HNNXBMFYSA-N 0 0 371.397 0.913 50 70 FCIARN Cc1cc(C)n(CC(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)c(=O)n1 ZINC000218242893 524510209 /nfs/dbraw/zinc/51/02/09/524510209.db2.gz MABKHSBOKSBEDV-BBWFWOEESA-N 0 0 356.426 0.754 50 70 FCIARN Cc1cccc2[nH]c(COCC(=O)NCCSc3nnnn3C)nc21 ZINC000218463211 524914218 /nfs/dbraw/zinc/91/42/18/524914218.db2.gz BKAZVPPEXNPUAD-UHFFFAOYSA-N 0 0 361.431 0.820 50 70 FCIARN O=C(N[C@H](CO)c1ccccc1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000218158128 526998508 /nfs/dbraw/zinc/99/85/08/526998508.db2.gz QOHOBFUSGZSOKR-OAHLLOKOSA-N 0 0 367.413 0.586 50 70 FCIARN Cn1cc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)nn1 ZINC000217844945 527159149 /nfs/dbraw/zinc/15/91/49/527159149.db2.gz ZDRKHMPPQWEMHT-NSHDSACASA-N 0 0 354.374 0.750 50 70 FCIARN Cn1ncc(N2CCN(C(=O)CCN3CCCCCC3=O)CC2)cc1=O ZINC000217995248 527574049 /nfs/dbraw/zinc/57/40/49/527574049.db2.gz IYCGPQQCXRRBMR-UHFFFAOYSA-N 0 0 361.446 0.222 50 70 FCIARN C[C@H](O)c1cc2n(n1)CCCN(S(=O)(=O)c1cc(C(N)=O)cs1)C2 ZINC000216970949 263458150 /nfs/dbraw/zinc/45/81/50/263458150.db2.gz HWUSAJUGZQRTHB-VIFPVBQESA-N 0 0 370.456 0.691 50 70 FCIARN O=C(CN1CCCn2nc([C@H](O)CO)cc2C1)NCc1cccs1 ZINC000217152934 263458917 /nfs/dbraw/zinc/45/89/17/263458917.db2.gz JDHWFPULZGEVDE-OAHLLOKOSA-N 0 0 350.444 0.492 50 70 FCIARN O=C(c1cccc(N2CCNC2=O)c1)N1CCCn2nc(CO)cc2C1 ZINC000217071281 488441808 /nfs/dbraw/zinc/44/18/08/488441808.db2.gz CYWGCQOFZDYEMI-UHFFFAOYSA-N 0 0 355.398 0.951 50 70 FCIARN COCCNc1nc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2n1C ZINC000217168904 488442286 /nfs/dbraw/zinc/44/22/86/488442286.db2.gz ZCVHMSWGYIGIJS-GFCCVEGCSA-N 0 0 366.443 0.549 50 70 FCIARN O=C(c1cncc(N2CCCn3nc(CO)cc3C2)n1)N1CCOCC1 ZINC000217156615 488442331 /nfs/dbraw/zinc/44/23/31/488442331.db2.gz QAGRPKSJCDQRIY-UHFFFAOYSA-N 0 0 358.402 0.048 50 70 FCIARN CN1CCN(S(=O)(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)CC1 ZINC000218188453 488442741 /nfs/dbraw/zinc/44/27/41/488442741.db2.gz NQPBZPZULZEZPI-HZPDHXFCSA-N 0 0 373.450 0.444 50 70 FCIARN Cc1ccn2c(nnc2C(=O)N[C@H](Cc2ccccn2)[C@H]2C[C@H](O)C2)n1 ZINC000218302289 488442762 /nfs/dbraw/zinc/44/27/62/488442762.db2.gz BYTZJQINSDZFDK-VHDGCEQUSA-N 0 0 352.398 0.940 50 70 FCIARN NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2-n2cncn2)cc1 ZINC000217878161 488442823 /nfs/dbraw/zinc/44/28/23/488442823.db2.gz WNIUFEBYPRRHHB-UHFFFAOYSA-N 0 0 357.395 0.845 50 70 FCIARN COC(=O)[C@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O ZINC000218211277 488442943 /nfs/dbraw/zinc/44/29/43/488442943.db2.gz WDMDYNBYDXUUFF-JTQLQIEISA-N 0 0 363.345 0.736 50 70 FCIARN O=C(CN1CCCCC1=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000218672774 488443348 /nfs/dbraw/zinc/44/33/48/488443348.db2.gz JFNUPRSSYXHWOZ-ZIAGYGMSSA-N 0 0 353.444 0.946 50 70 FCIARN CSCC[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000217602404 525527629 /nfs/dbraw/zinc/52/76/29/525527629.db2.gz CGKKXCINGCIIBC-AAEUAGOBSA-N 0 0 369.443 0.710 50 70 biogenic FCIARN CSCC[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000217744398 525528819 /nfs/dbraw/zinc/52/88/19/525528819.db2.gz NKWKOYLHRITCKJ-KBPBESRZSA-N 0 0 365.455 0.727 50 70 biogenic FCIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)COc1ccc3nncn3n1)C2 ZINC000218155306 525852020 /nfs/dbraw/zinc/85/20/20/525852020.db2.gz JRDLZVDHXHIYLQ-NSHDSACASA-N 0 0 357.374 0.185 50 70 FCIARN Cc1noc(CCCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n1 ZINC000217603702 526604139 /nfs/dbraw/zinc/60/41/39/526604139.db2.gz QTOODWDXXVBEFH-ZDUSSCGKSA-N 0 0 357.370 0.568 50 70 biogenic FCIARN O=C(CN1CCn2nc([C@@H](O)CO)cc2C1)Nc1ccc(Cl)cn1 ZINC000217922572 526814887 /nfs/dbraw/zinc/81/48/87/526814887.db2.gz JRJAQNRONDFYDP-ZDUSSCGKSA-N 0 0 351.794 0.412 50 70 FCIARN O=C(COC[C@H]1CCCCO1)N1CCN(c2ccnc3nncn32)CC1 ZINC000216918462 526936074 /nfs/dbraw/zinc/93/60/74/526936074.db2.gz MRBVOTHYUDMJTJ-CQSZACIVSA-N 0 0 360.418 0.359 50 70 FCIARN O=C(Cc1nc2ccccc2[nH]1)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217744679 527342291 /nfs/dbraw/zinc/34/22/91/527342291.db2.gz JGGVWRFALXPMGV-MRXNPFEDSA-N 0 0 355.398 0.760 50 70 FCIARN Cn1nccc1[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1cncs1)C2 ZINC000218198175 527628292 /nfs/dbraw/zinc/62/82/92/527628292.db2.gz LZUSBHSSKLEGDG-MRXNPFEDSA-N 0 0 358.427 0.740 50 70 FCIARN O=C(CCn1cnc2ccccc2c1=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000217107826 488441742 /nfs/dbraw/zinc/44/17/42/488441742.db2.gz QBSOBQVPGLUNIR-UHFFFAOYSA-N 0 0 367.413 0.249 50 70 FCIARN Cn1nc(C(=O)N2CCCn3nc(CO)cc3C2)c2ccccc2c1=O ZINC000216995143 488441834 /nfs/dbraw/zinc/44/18/34/488441834.db2.gz HNDXOSOHCJKMHQ-UHFFFAOYSA-N 0 0 353.382 0.668 50 70 FCIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 ZINC000217529071 488442142 /nfs/dbraw/zinc/44/21/42/488442142.db2.gz CLTSCAZESYDZDU-SECBINFHSA-N 0 0 355.354 0.122 50 70 FCIARN O=S(=O)(c1cccc2c1OCCO2)N1CCCn2nc(CO)cc2C1 ZINC000217344651 488442188 /nfs/dbraw/zinc/44/21/88/488442188.db2.gz GVVVUPDUAQFLJI-UHFFFAOYSA-N 0 0 365.411 0.741 50 70 FCIARN O=C(NCc1ccc(-n2cncn2)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000217578719 488442328 /nfs/dbraw/zinc/44/23/28/488442328.db2.gz RWQCBAZPWGVHCL-UHFFFAOYSA-N 0 0 362.349 0.727 50 70 FCIARN CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1cc2sccc2[nH]1 ZINC000218735465 488443345 /nfs/dbraw/zinc/44/33/45/488443345.db2.gz GLSSQKCDPCTXJU-SZOBPAOMSA-N 0 0 355.441 0.664 50 70 FCIARN Cc1cc(N)n(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)n1 ZINC000218635010 488443363 /nfs/dbraw/zinc/44/33/63/488443363.db2.gz OZQVAYDTKBDVJT-UHFFFAOYSA-N 0 0 371.397 0.373 50 70 FCIARN CC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O ZINC000217874931 522301000 /nfs/dbraw/zinc/30/10/00/522301000.db2.gz UHRMVMANMCKYDX-BXUZGUMPSA-N 0 0 363.414 0.937 50 70 biogenic FCIARN CN(CC(=O)NCc1nnc(-c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000217819464 522490375 /nfs/dbraw/zinc/49/03/75/522490375.db2.gz VGBGBYZRLWLMTE-CYBMUJFWSA-N 0 0 364.427 0.472 50 70 FCIARN COc1cc2c(cc1CN1CCn3nc([C@@H](O)CO)cc3C1)OCCO2 ZINC000216967132 523000380 /nfs/dbraw/zinc/00/03/80/523000380.db2.gz BQFIIXDSGTTXKD-HNNXBMFYSA-N 0 0 361.398 0.704 50 70 FCIARN Cc1[nH]c2ccnn2c(=O)c1CCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000218533968 525446875 /nfs/dbraw/zinc/44/68/75/525446875.db2.gz VPVSCAHUSPOSIG-HNNXBMFYSA-N 0 0 354.410 0.983 50 70 FCIARN Cc1nc2[nH]cnn2c(=O)c1CCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000218406634 525449420 /nfs/dbraw/zinc/44/94/20/525449420.db2.gz DRNMTEQTSZDEOZ-AWEZNQCLSA-N 0 0 355.398 0.378 50 70 FCIARN O=C(CCn1ccc(=O)[nH]c1=O)N1CCC(CCN2CCCC2=O)CC1 ZINC000216946307 526671209 /nfs/dbraw/zinc/67/12/09/526671209.db2.gz MHEHXDZSIPJNLR-UHFFFAOYSA-N 0 0 362.430 0.178 50 70 FCIARN O=C(CN1C(=O)CNC1=O)N1CCCn2nc([C@H](O)C3CCC3)cc2C1 ZINC000218172197 526709189 /nfs/dbraw/zinc/70/91/89/526709189.db2.gz BANRFUHFTLCYTQ-MRXNPFEDSA-N 0 0 361.402 0.001 50 70 FCIARN Cn1ccnc1CN1CCN(C(=O)c2ccc(-n3cnnn3)cc2O)CC1 ZINC000217855159 527432376 /nfs/dbraw/zinc/43/23/76/527432376.db2.gz HZSBZQHJJMAXOA-UHFFFAOYSA-N 0 0 368.401 0.059 50 70 FCIARN Cn1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(CO)cc2)cc1=O ZINC000218553549 209666685 /nfs/dbraw/zinc/66/66/85/209666685.db2.gz ZJIRYOBSSRSEKH-IAGOWNOFSA-N 0 0 358.394 0.844 50 70 FCIARN COC(=O)[C@H](CCSC)NC(=O)Cn1nc2c(cc1=O)CCCCC2 ZINC000218427029 209667841 /nfs/dbraw/zinc/66/78/41/209667841.db2.gz WYLIDEFSKHDKIH-AWEZNQCLSA-N 0 0 367.471 0.923 50 70 FCIARN O=C1CCc2cc(S(=O)(=O)N3CCn4nc(CO)cc4C3)ccc2N1 ZINC000217023872 488441711 /nfs/dbraw/zinc/44/17/11/488441711.db2.gz IJPRVVXQNRKTNA-UHFFFAOYSA-N 0 0 362.411 0.465 50 70 FCIARN O=C(CN1CCCCCC1=O)NC[C@H](c1ccccn1)N1CCOCC1 ZINC000217165582 488442334 /nfs/dbraw/zinc/44/23/34/488442334.db2.gz YHIZHKLUTMLFIG-QGZVFWFLSA-N 0 0 360.458 0.974 50 70 FCIARN Cc1ccc(O)c(CN2CCn3nc([C@H](O)CC(=O)N(C)C)cc3C2)n1 ZINC000218126834 488442642 /nfs/dbraw/zinc/44/26/42/488442642.db2.gz HBZTWOWWGVSORR-QGZVFWFLSA-N 0 0 359.430 0.820 50 70 FCIARN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1nc2ccccc2c(=O)[nH]1 ZINC000218151505 519687560 /nfs/dbraw/zinc/68/75/60/519687560.db2.gz KQHYBDOYVWJVHR-HNNXBMFYSA-N 0 0 368.397 0.052 50 70 FCIARN Cc1cc(N)n(CC(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)n1 ZINC000218220057 525041388 /nfs/dbraw/zinc/04/13/88/525041388.db2.gz FSJJEEMYSVXEGT-OLZOCXBDSA-N 0 0 351.432 0.721 50 70 FCIARN Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2nnnn2-c2ccccc2)n1 ZINC000217635375 526121753 /nfs/dbraw/zinc/12/17/53/526121753.db2.gz AYMJQRCOBACBSN-LLVKDONJSA-N 0 0 371.426 0.851 50 70 FCIARN O=C(CCn1nnc2ccccc21)N1CCn2nc([C@H](O)CO)cc2C1 ZINC000217398827 526690702 /nfs/dbraw/zinc/69/07/02/526690702.db2.gz QUWLEGTXFDXZEP-MRXNPFEDSA-N 0 0 356.386 0.086 50 70 FCIARN O=C(Cc1ccc2c(c1)OCO2)N1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000217700543 527252864 /nfs/dbraw/zinc/25/28/64/527252864.db2.gz RPOMFODWKRONKH-HNNXBMFYSA-N 0 0 359.382 0.613 50 70 FCIARN Cn1ccnc1CN1CCN(C(=O)[C@H](c2ccccc2)n2cnnn2)CC1 ZINC000217557034 527430718 /nfs/dbraw/zinc/43/07/18/527430718.db2.gz CSVSDRVNNPKMKG-KRWDZBQOSA-N 0 0 366.429 0.340 50 70 FCIARN Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000217694603 209661232 /nfs/dbraw/zinc/66/12/32/209661232.db2.gz VCMGVYRYUQYQHS-LLVKDONJSA-N 0 0 357.366 0.852 50 70 biogenic FCIARN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCN(c2cnccn2)CC1 ZINC000217789956 132272488 /nfs/dbraw/zinc/27/24/88/132272488.db2.gz FNXCFYLGZUAFBX-UHFFFAOYSA-N 0 0 368.376 0.618 50 70 FCIARN O=C(Cn1c(=O)oc2ccccc21)NCc1nnnn1-c1ccccc1 ZINC000217060005 488441602 /nfs/dbraw/zinc/44/16/02/488441602.db2.gz LCWARDSTOVAIHL-UHFFFAOYSA-N 0 0 350.338 0.887 50 70 FCIARN Cc1cccc2ncc(C(=O)N3CCCn4nc(CO)cc4C3)c(=O)n12 ZINC000217655216 488442160 /nfs/dbraw/zinc/44/21/60/488442160.db2.gz USUFHHTXZLUDTI-UHFFFAOYSA-N 0 0 353.382 0.738 50 70 FCIARN CC(C)Cc1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)[nH]c(=O)n1 ZINC000218678444 488443106 /nfs/dbraw/zinc/44/31/06/488443106.db2.gz FQKRCJNTLJRRDZ-UHFFFAOYSA-N 0 0 356.448 0.122 50 70 FCIARN CN1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CCC1=O ZINC000159677824 488786931 /nfs/dbraw/zinc/78/69/31/488786931.db2.gz HNOKVZLHROUXPK-MSOLQXFVSA-N 0 0 374.485 0.850 50 70 FCIARN CC[C@@H](c1ccncc1)N(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000159737625 488787417 /nfs/dbraw/zinc/78/74/17/488787417.db2.gz XKDUEPIHPFWNBJ-LBPRGKRZSA-N 0 0 352.416 0.251 50 70 FCIARN COC(=O)[C@H](C)NC(=O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000218266382 523881300 /nfs/dbraw/zinc/88/13/00/523881300.db2.gz IGQDXISHNSSXBC-ZDUSSCGKSA-N 0 0 365.405 0.932 50 70 FCIARN C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cnn3cc(CCO)cnc13)C2 ZINC000217516674 525864314 /nfs/dbraw/zinc/86/43/14/525864314.db2.gz ZWYZJNKBRSFEAH-LLVKDONJSA-N 0 0 356.386 0.170 50 70 FCIARN O=C(CN1CCCn2nc([C@@H](O)CO)cc2C1)N1CCc2ccccc21 ZINC000217652207 526759708 /nfs/dbraw/zinc/75/97/08/526759708.db2.gz RSTOZFKDSNLDBA-SFHVURJKSA-N 0 0 356.426 0.704 50 70 FCIARN Cc1nc(CN2CCN(C(=O)c3cc(C(C)(C)C)nc(=O)[nH]3)CC2)no1 ZINC000218219081 526864550 /nfs/dbraw/zinc/86/45/50/526864550.db2.gz QVUVFGWZSCLIOE-UHFFFAOYSA-N 0 0 360.418 0.717 50 70 FCIARN O=C(N[C@H](CO)Cc1ccccc1)C1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000218207700 526996404 /nfs/dbraw/zinc/99/64/04/526996404.db2.gz PZRIZXYMZFXGMN-INIZCTEOSA-N 0 0 356.426 0.706 50 70 FCIARN Cn1c(=O)oc2ccc(C(=O)N3CCn4nc([C@@H](O)CO)cc4C3)cc21 ZINC000217003467 527038633 /nfs/dbraw/zinc/03/86/33/527038633.db2.gz QJQBBJLESCDSCO-AWEZNQCLSA-N 0 0 358.354 0.010 50 70 FCIARN O=C(Cn1cccnc1=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000218401902 527391532 /nfs/dbraw/zinc/39/15/32/527391532.db2.gz ZUUBBZFTLRYMHV-JMLCCBQJSA-N 0 0 355.394 0.807 50 70 FCIARN O=C(Cn1nnc(-c2ccccc2)n1)NCc1nc(-c2cnccn2)n[nH]1 ZINC000218416735 527429217 /nfs/dbraw/zinc/42/92/17/527429217.db2.gz JRHWZNPBPCJJOB-UHFFFAOYSA-N 0 0 362.357 0.232 50 70 FCIARN O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cc(-n2cnnn2)[nH]n1 ZINC000218552715 209667674 /nfs/dbraw/zinc/66/76/74/209667674.db2.gz MPPVBUHYGLVNFS-CABCVRRESA-N 0 0 369.385 0.490 50 70 FCIARN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cccc(OCC(N)=O)c1)C2 ZINC000217168770 263459480 /nfs/dbraw/zinc/45/94/80/263459480.db2.gz WCHILRWJSYJDOW-MRXNPFEDSA-N 0 0 358.398 0.847 50 70 FCIARN O=C(NCc1nc(-c2cccnc2)no1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000216995190 488441735 /nfs/dbraw/zinc/44/17/35/488441735.db2.gz CKHKSRBQWGISDA-UHFFFAOYSA-N 0 0 364.321 0.591 50 70 FCIARN CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1c[nH]c2ncnn2c1=O ZINC000217575161 488442274 /nfs/dbraw/zinc/44/22/74/488442274.db2.gz OTXZPRPCPCNVEJ-AWEZNQCLSA-N 0 0 352.398 0.546 50 70 FCIARN Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000217694684 488442356 /nfs/dbraw/zinc/44/23/56/488442356.db2.gz VCMGVYRYUQYQHS-NSHDSACASA-N 0 0 357.366 0.852 50 70 biogenic FCIARN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000218668521 488443339 /nfs/dbraw/zinc/44/33/39/488443339.db2.gz KYMJXCSYBZHLJG-INIZCTEOSA-N 0 0 358.398 0.370 50 70 FCIARN CN(CC(=O)N1CCC[C@H](c2nnc(CO)n2C)C1)Cc1ccncc1 ZINC000217014428 522434116 /nfs/dbraw/zinc/43/41/16/522434116.db2.gz DPFLHDPBFCQCAY-HNNXBMFYSA-N 0 0 358.446 0.540 50 70 FCIARN CN(CC(=O)NCc1nnc(-c2ccccc2)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000217545468 522491837 /nfs/dbraw/zinc/49/18/37/522491837.db2.gz QHUGLJYHNSFGMN-ZDUSSCGKSA-N 0 0 363.443 0.207 50 70 FCIARN Cc1nc(-c2ccc(CNC(=O)CCn3ccc(=O)[nH]c3=O)cc2)no1 ZINC000218199554 526569165 /nfs/dbraw/zinc/56/91/65/526569165.db2.gz GODGFHBPWIKSCG-UHFFFAOYSA-N 0 0 355.354 0.602 50 70 FCIARN Cc1noc(CCNC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)n1 ZINC000217776927 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