smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CS[C@@H]1CCN(C(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000217557867 205937511 /nfs/dbraw/zinc/93/75/11/205937511.db2.gz OMCQUZYKQFJEMD-CQSZACIVSA-N 0 0 383.469 3.431 50 70 GGIARN O=C(c1cncc(Br)c1)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000217588729 205938341 /nfs/dbraw/zinc/93/83/41/205938341.db2.gz WXLYBQGPBPOSQN-SFHVURJKSA-N 0 0 387.233 3.146 50 70 GGIARN O=C(c1cc(-c2cccs2)n[nH]1)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217595251 205938740 /nfs/dbraw/zinc/93/87/40/205938740.db2.gz PZOHVWWUYOLGBS-HXUWFJFHSA-N 0 0 379.441 3.440 50 70 GGIARN CC(C)(C)c1cc(-c2nnc3sc(Cn4cnc(Cl)c4Cl)nn32)[nH]n1 ZINC000218245563 205945163 /nfs/dbraw/zinc/94/51/63/205945163.db2.gz JVFNFOQCNJRBKQ-UHFFFAOYSA-N 0 0 397.295 3.425 50 70 GGIARN CC(C)C[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1 ZINC000218338185 205946896 /nfs/dbraw/zinc/94/68/96/205946896.db2.gz AQTLZCGXUNOEPT-KRWDZBQOSA-N 0 0 381.484 3.112 50 70 GGIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCn1ccc2ccccc21 ZINC000218493920 205949189 /nfs/dbraw/zinc/94/91/89/205949189.db2.gz UPNCQQHFRQDBBN-LJQANCHMSA-N 0 0 393.487 3.029 50 70 GGIARN O=C(OCc1ccccc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217846559 205942050 /nfs/dbraw/zinc/94/20/50/205942050.db2.gz CBPMRIMZZSWMEP-MRXNPFEDSA-N 0 0 379.420 3.118 50 70 GGIARN Cc1cc(-c2ccncc2)nn1CCNC(=O)c1cnn(-c2ccccc2)c1C ZINC000217867835 205942491 /nfs/dbraw/zinc/94/24/91/205942491.db2.gz GUKHAYIPOISMEW-UHFFFAOYSA-N 0 0 386.459 3.178 50 70 GGIARN Cn1nc(CN(Cc2ccco2)C(=O)c2ccc3c(c2)OCO3)c2c1CCC2 ZINC000217902693 205942652 /nfs/dbraw/zinc/94/26/52/205942652.db2.gz MBKKNZNEDQQNHU-UHFFFAOYSA-N 0 0 379.416 3.073 50 70 GGIARN CCOc1ccc(C)cc1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2o1 ZINC000217998355 205944263 /nfs/dbraw/zinc/94/42/63/205944263.db2.gz VSZIADUJQUNZLK-HXUWFJFHSA-N 0 0 389.473 3.326 50 70 GGIARN CSc1cccc(N2C[C@H](C(=O)Nc3cccc(-c4nc[nH]n4)c3)CC2=O)c1 ZINC000218203667 205944609 /nfs/dbraw/zinc/94/46/09/205944609.db2.gz QMTWJHNBDGAWHB-CQSZACIVSA-N 0 0 393.472 3.185 50 70 GGIARN CC(C)[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C ZINC000218318602 136203685 /nfs/dbraw/zinc/20/36/85/136203685.db2.gz LHHDUFDSWWODDV-LPHOPBHVSA-N 0 0 392.507 3.093 50 70 GGIARN O=S(=O)(NCCn1ccc(-c2ccsc2)n1)c1ccc(F)c(Cl)c1 ZINC000217892484 565898665 /nfs/dbraw/zinc/89/86/65/565898665.db2.gz NGTPOFILFAXYLA-UHFFFAOYSA-N 0 0 385.873 3.383 50 70 GGIARN O=C(N[C@@H]1C[C@@H]2OCC[C@H]12)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000217001395 570311123 /nfs/dbraw/zinc/31/11/23/570311123.db2.gz DAUFEPNNKJRASN-FNDUUJAJSA-N 0 0 376.815 3.036 50 70 GGIARN CC(C)C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2n1C ZINC000218126161 570325624 /nfs/dbraw/zinc/32/56/24/570325624.db2.gz BDHGUGMVNRMKPZ-SFHVURJKSA-N 0 0 389.463 3.066 50 70 GGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc2c(c1)OCCCO2 ZINC000218133542 570325899 /nfs/dbraw/zinc/32/58/99/570325899.db2.gz JNMZYBFIXPIVBI-HNNXBMFYSA-N 0 0 395.459 3.335 50 70 GGIARN O=C(Nc1n[nH]c(Cc2ccc(F)cc2)n1)c1cccc(Nc2ncccn2)c1 ZINC000218163166 570326884 /nfs/dbraw/zinc/32/68/84/570326884.db2.gz BKBSISUQXSKWRF-UHFFFAOYSA-N 0 0 389.394 3.321 50 70 GGIARN Cc1ncsc1CCNC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000218331617 570331669 /nfs/dbraw/zinc/33/16/69/570331669.db2.gz HIIDKHWWFJJTFD-GFCCVEGCSA-N 0 0 384.427 3.051 50 70 GGIARN CC(C)Cc1ccc(-c2cc(C(=O)Nc3n[nH]c([C@@H]4CCCO4)n3)n[nH]2)cc1 ZINC000218398282 570333292 /nfs/dbraw/zinc/33/32/92/570333292.db2.gz KLWUUVDZJNEFBB-KRWDZBQOSA-N 0 0 380.452 3.497 50 70 GGIARN CC(C)Cc1nc2cc(NC(=O)CCN3C(=O)CC4(CCCC4)C3=O)ccc2[nH]1 ZINC000218503939 570335879 /nfs/dbraw/zinc/33/58/79/570335879.db2.gz KPRFGNNOIWGLSH-UHFFFAOYSA-N 0 0 396.491 3.409 50 70 GGIARN COCCn1c(C)cc(C)c(C(=O)Nc2ccc3[nH]c(C(C)C)nc3c2)c1=O ZINC000218540545 570336444 /nfs/dbraw/zinc/33/64/44/570336444.db2.gz AEXAQBJICMSWSD-UHFFFAOYSA-N 0 0 382.464 3.364 50 70 GGIARN CCCc1cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)n(C)n1 ZINC000218558504 570336712 /nfs/dbraw/zinc/33/67/12/570336712.db2.gz YZLHNTAFVMYSRI-RVAKQSJFSA-N 0 0 378.476 3.163 50 70 GGIARN CCCn1ncc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c1C ZINC000218592298 570337380 /nfs/dbraw/zinc/33/73/80/570337380.db2.gz BEDJRAKLSFAHHE-IAYYMHMVSA-N 0 0 378.476 3.392 50 70 GGIARN C[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1C)N1Cc2ccccc2C1=O ZINC000218596423 570337499 /nfs/dbraw/zinc/33/74/99/570337499.db2.gz LDEJOMSBRUEDAM-YWZLYKJASA-N 0 0 388.471 3.281 50 70 GGIARN COCCn1ccc2c1cccc2NC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000218612748 570337847 /nfs/dbraw/zinc/33/78/47/570337847.db2.gz YHBZSHLJNQYPAE-UHFFFAOYSA-N 0 0 390.443 3.096 50 70 GGIARN Cc1cc2c(c(=O)o1)[C@@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2 ZINC000218051755 222584061 /nfs/dbraw/zinc/58/40/61/222584061.db2.gz VXDQKLRLFRPJHO-OAHLLOKOSA-N 0 0 379.412 3.360 50 70 biogenic GGIARN O=C(/C=C\c1ccccc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217840134 208831892 /nfs/dbraw/zinc/83/18/92/208831892.db2.gz TVIDUFLIBMEPEM-XZVRFQMRSA-N 0 0 375.432 3.021 50 70 GGIARN Cn1cc([C@@H](O)CNC(=O)c2cc(Br)cs2)c2ccccc21 ZINC000217575035 208828028 /nfs/dbraw/zinc/82/80/28/208828028.db2.gz JLUPBKVNODVMAR-AWEZNQCLSA-N 0 0 379.279 3.466 50 70 GGIARN O=S(=O)(NCC[C@@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1 ZINC000217539341 208828228 /nfs/dbraw/zinc/82/82/28/208828228.db2.gz UWIIQBNDFPFXHV-CYBMUJFWSA-N 0 0 381.397 3.049 50 70 GGIARN O=C(CC1(n2cccc2)CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217565902 208829117 /nfs/dbraw/zinc/82/91/17/208829117.db2.gz KYWMELQCIMOMMM-RBUKOAKNSA-N 0 0 379.504 3.345 50 70 GGIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(-c2ccccc2)o1 ZINC000217682719 208830725 /nfs/dbraw/zinc/83/07/25/208830725.db2.gz BCGPRSWVQZURJJ-CYBMUJFWSA-N 0 0 379.368 3.253 50 70 biogenic GGIARN O=C(c1ccc(-c2cccs2)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217728435 208830885 /nfs/dbraw/zinc/83/08/85/208830885.db2.gz HKDDMTZWXQQSKY-HDICACEKSA-N 0 0 392.480 3.191 50 70 GGIARN COc1ccc2occ([C@H]3CC(=O)Oc4c5ccccc5oc(=O)c43)c(=O)c2c1 ZINC000217802870 208831772 /nfs/dbraw/zinc/83/17/72/208831772.db2.gz CMSFYFODJAORRP-CYBMUJFWSA-N 0 0 390.347 3.349 50 70 biogenic GGIARN O=C1C[C@H](c2cc3cccc4c3n(c2=O)CCC4)c2cc3c(cc2O1)OCO3 ZINC000217900691 208832360 /nfs/dbraw/zinc/83/23/60/208832360.db2.gz ZOWPWFSARYGQAW-AWEZNQCLSA-N 0 0 375.380 3.117 50 70 biogenic GGIARN COCc1nc(-c2cccc(NC(=O)Cc3cn(C)c4ccccc34)c2)n[nH]1 ZINC000218152709 208833039 /nfs/dbraw/zinc/83/30/39/208833039.db2.gz KJQMYBLNBGZANN-UHFFFAOYSA-N 0 0 375.432 3.291 50 70 GGIARN COc1cc(OC)cc([C@@H](c2sc3ncnn3c2[O-])[NH+]2CCCCCC2)c1 ZINC000218486863 208836100 /nfs/dbraw/zinc/83/61/00/208836100.db2.gz ZFQYYYQCCIZWCY-INIZCTEOSA-N 0 0 388.493 3.479 50 70 GGIARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccccc2n1C ZINC000218386746 208836798 /nfs/dbraw/zinc/83/67/98/208836798.db2.gz VDQBCFSYOCVCTA-IERDGZPVSA-N 0 0 390.487 3.440 50 70 GGIARN COc1ccc(N2C[C@H](NC(=O)C3(c4ccccc4)CCCC3)CC2=O)cc1 ZINC000218731515 208837351 /nfs/dbraw/zinc/83/73/51/208837351.db2.gz GDJUEJXOZLLXOZ-GOSISDBHSA-N 0 0 378.472 3.429 50 70 GGIARN O=C(c1ccc(-c2ccsc2)cc1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217610175 136203349 /nfs/dbraw/zinc/20/33/49/136203349.db2.gz QRLJOVHHBFOSTL-UHFFFAOYSA-N 0 0 392.484 3.198 50 70 GGIARN CC(C)[C@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2n1C ZINC000218318519 136203655 /nfs/dbraw/zinc/20/36/55/136203655.db2.gz LHHDUFDSWWODDV-APWZRJJASA-N 0 0 392.507 3.093 50 70 GGIARN COC(=O)c1sccc1Nc1c(=O)c(=O)c1NCc1ccccc1Cl ZINC000218276834 565898255 /nfs/dbraw/zinc/89/82/55/565898255.db2.gz HJFRXNUBDNTMHB-UHFFFAOYSA-N 0 0 376.821 3.140 50 70 GGIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cnn(-c2ccc(Br)cc2F)c1C ZINC000218305567 565898482 /nfs/dbraw/zinc/89/84/82/565898482.db2.gz CVVCVTHFQAFINZ-MEBBXXQBSA-N 0 0 398.276 3.219 50 70 GGIARN O=C(CCc1ccc(Cl)c(Cl)c1)N1CC[C@H](N2C(=O)CSC2=O)C1 ZINC000217783625 565898575 /nfs/dbraw/zinc/89/85/75/565898575.db2.gz SMJZCVRLZULBRF-NSHDSACASA-N 0 0 387.288 3.222 50 70 GGIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cccc(Br)c1 ZINC000218008823 565898761 /nfs/dbraw/zinc/89/87/61/565898761.db2.gz LNUZRYODJVAHQQ-LJQANCHMSA-N 0 0 390.277 3.412 50 70 GGIARN COc1cccc(-n2cc(CNC(=O)[C@@H](c3ccccc3C)N(C)C)cn2)c1 ZINC000217165140 570313204 /nfs/dbraw/zinc/31/32/04/570313204.db2.gz SQYOYNVLRTWQOB-OAQYLSRUSA-N 0 0 378.476 3.108 50 70 GGIARN CC(C)n1c(CNC(=O)c2ccccc2N2CCOCC2)nc2ccccc21 ZINC000217188371 570313611 /nfs/dbraw/zinc/31/36/11/570313611.db2.gz ITHSLCZYMSBGET-UHFFFAOYSA-N 0 0 378.476 3.384 50 70 GGIARN CC1CC[NH+](Cc2ccc(C(=O)NCc3nnc(-c4ccccc4)[n-]3)o2)CC1 ZINC000217805117 570321719 /nfs/dbraw/zinc/32/17/19/570321719.db2.gz SGYRDLICTNJGGN-UHFFFAOYSA-N 0 0 379.464 3.227 50 70 GGIARN Cc1nc(C(C)C)sc1C(=O)N[C@@H]1COCC[C@@H]1Oc1ccc(C)nc1 ZINC000218042233 570324426 /nfs/dbraw/zinc/32/44/26/570324426.db2.gz BUYIQIXVDJLYRK-CVEARBPZSA-N 0 0 375.494 3.245 50 70 GGIARN O=C(C[C@H]1Oc2ccccc2NC1=O)NCCn1ccc2c1cccc2Cl ZINC000218220653 570327868 /nfs/dbraw/zinc/32/78/68/570327868.db2.gz UYXXYGFQKGKXAG-GOSISDBHSA-N 0 0 383.835 3.201 50 70 GGIARN Cc1ncsc1CCNC(=O)[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000218331713 570331502 /nfs/dbraw/zinc/33/15/02/570331502.db2.gz HIIDKHWWFJJTFD-LBPRGKRZSA-N 0 0 384.427 3.051 50 70 GGIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2oc(C)nc2c1 ZINC000218335618 570331527 /nfs/dbraw/zinc/33/15/27/570331527.db2.gz VABUMYVRJYJSGK-INIZCTEOSA-N 0 0 382.372 3.394 50 70 GGIARN CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 ZINC000218337212 570331678 /nfs/dbraw/zinc/33/16/78/570331678.db2.gz LNHZXGHOIHXWHN-AVYPCKFXSA-N 0 0 394.475 3.408 50 70 GGIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCC1=CCCCC1 ZINC000218348701 570332101 /nfs/dbraw/zinc/33/21/01/570332101.db2.gz SSKXQTFYAMQIPI-UHFFFAOYSA-N 0 0 375.494 3.020 50 70 GGIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc2ncccc21 ZINC000218407962 570333783 /nfs/dbraw/zinc/33/37/83/570333783.db2.gz GFIPHRXACGDCTK-IBGZPJMESA-N 0 0 388.427 3.074 50 70 GGIARN O=C(N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)C1(c2ccccc2F)CC1 ZINC000218414429 570333794 /nfs/dbraw/zinc/33/37/94/570333794.db2.gz FIFOKQDHTJKELA-BPZDKFOGSA-N 0 0 381.447 3.421 50 70 GGIARN COCc1nnc(-c2ccc(NC(=O)c3cnc4ccccc4c3O)cc2)[nH]1 ZINC000218423621 570334114 /nfs/dbraw/zinc/33/41/14/570334114.db2.gz YBWYFBHWEKTLKI-UHFFFAOYSA-N 0 0 375.388 3.124 50 70 GGIARN Cc1cc(O)cc(=O)n1CCCC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000218598600 570337518 /nfs/dbraw/zinc/33/75/18/570337518.db2.gz WGOSYHSNWPFOCX-IBGZPJMESA-N 0 0 396.491 3.422 50 70 GGIARN CCCCc1nc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)c[nH]1 ZINC000218766133 570340612 /nfs/dbraw/zinc/34/06/12/570340612.db2.gz IZHYUXPKOBMMAJ-JOCHJYFZSA-N 0 0 379.508 3.436 50 70 GGIARN COc1cn(CC(=O)NCc2cccc(Oc3ccccc3)c2)c(C)cc1=O ZINC000218224236 570817494 /nfs/dbraw/zinc/81/74/94/570817494.db2.gz YSDXJHULZMOMMG-UHFFFAOYSA-N 0 0 378.428 3.274 50 70 GGIARN COC(=O)c1nc(NC(=O)CC2(n3cccc3)CCOCC2)sc1C(C)C ZINC000218313403 570819974 /nfs/dbraw/zinc/81/99/74/570819974.db2.gz WBUFUFQKUASXHF-UHFFFAOYSA-N 0 0 391.493 3.389 50 70 GGIARN CC(C)Cc1nnc(NC(=O)CCc2nc(-c3ccc4[nH]ccc4c3)no2)[nH]1 ZINC000218539567 570925404 /nfs/dbraw/zinc/92/54/04/570925404.db2.gz FPWGPDIGHKMXFE-UHFFFAOYSA-N 0 0 379.424 3.106 50 70 GGIARN Cc1ccc(=O)n([C@H](C)C(=O)Nc2ccccc2-c2cn3ccsc3n2)n1 ZINC000218567606 570928558 /nfs/dbraw/zinc/92/85/58/570928558.db2.gz NTQZRYDZNXIBLT-CYBMUJFWSA-N 0 0 379.445 3.128 50 70 GGIARN Cc1cc(C)cc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)c1 ZINC000217472791 209185455 /nfs/dbraw/zinc/18/54/55/209185455.db2.gz RXFYHRRDRDQGTJ-ANULTFPQSA-N 0 0 388.467 3.139 50 70 GGIARN COc1cc2c(c(OC)c1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)CC(=O)O2 ZINC000218068799 209184807 /nfs/dbraw/zinc/18/48/07/209184807.db2.gz OEQLAUUAWLYHSQ-ZDUSSCGKSA-N 0 0 395.411 3.303 50 70 biogenic GGIARN COc1cc2c(c(OC)c1OC)[C@@H](c1cc3cc(C)ccc3[nH]c1=O)CC(=O)O2 ZINC000218068726 209184354 /nfs/dbraw/zinc/18/43/54/209184354.db2.gz OEQLAUUAWLYHSQ-CYBMUJFWSA-N 0 0 395.411 3.303 50 70 biogenic GGIARN COCCn1cc(C(=O)N[C@H](CO)Cc2ccccc2)c2cc(Cl)ccc21 ZINC000218284774 211758765 /nfs/dbraw/zinc/75/87/65/211758765.db2.gz XHFWAXDOZJWKDY-KRWDZBQOSA-N 0 0 386.879 3.275 50 70 GGIARN COc1ccc(N2C[C@@H](NC(=O)C3(c4ccccc4)CCCC3)CC2=O)cc1 ZINC000218731447 211761593 /nfs/dbraw/zinc/76/15/93/211761593.db2.gz GDJUEJXOZLLXOZ-SFHVURJKSA-N 0 0 378.472 3.429 50 70 GGIARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2[nH]1 ZINC000218572513 211761609 /nfs/dbraw/zinc/76/16/09/211761609.db2.gz IDCHJUYFGUFMKT-KRWDZBQOSA-N 0 0 395.854 3.319 50 70 GGIARN CC[C@H](C)[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1 ZINC000218125124 211757708 /nfs/dbraw/zinc/75/77/08/211757708.db2.gz DMDAJORIBDDOOG-YOEHRIQHSA-N 0 0 381.484 3.112 50 70 GGIARN COc1ccccc1CCN1C[C@@H](C(=O)Nc2c(C)nn(C(C)C)c2C)CC1=O ZINC000218252155 211757284 /nfs/dbraw/zinc/75/72/84/211757284.db2.gz PDDUGNVCQFSIFI-SFHVURJKSA-N 0 0 398.507 3.119 50 70 GGIARN O=C(Cc1c[nH]c2ccccc12)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000218251117 211756931 /nfs/dbraw/zinc/75/69/31/211756931.db2.gz ZRVYAXRYFIAROW-QGZVFWFLSA-N 0 0 388.427 3.386 50 70 GGIARN CC(C)n1c(CNC(=O)c2ccc(Cl)cc2-n2cnnn2)nc2ccccc21 ZINC000218143388 211756825 /nfs/dbraw/zinc/75/68/25/211756825.db2.gz GUOUCMCOMVCNGU-UHFFFAOYSA-N 0 0 395.854 3.176 50 70 GGIARN CC(=O)OC(C)(C)C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217832504 211752714 /nfs/dbraw/zinc/75/27/14/211752714.db2.gz NWSIUQQETLRGIE-MRXNPFEDSA-N 0 0 385.464 3.168 50 70 GGIARN CCOC(=O)CCC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217826900 211752506 /nfs/dbraw/zinc/75/25/06/211752506.db2.gz UELQRELGODJUFN-MRXNPFEDSA-N 0 0 385.464 3.169 50 70 GGIARN CN(Cc1cc(-c2ccccc2)on1)C(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000217560209 211749345 /nfs/dbraw/zinc/74/93/45/211749345.db2.gz VIHLZEOHEUPGGB-UHFFFAOYSA-N 0 0 385.423 3.485 50 70 GGIARN COC(=O)C[C@H](c1cccnc1N1CCCCC1)c1cc2c(cc1O)OCO2 ZINC000217758312 136203429 /nfs/dbraw/zinc/20/34/29/136203429.db2.gz RDUPCVKGFBIPSN-OAHLLOKOSA-N 0 0 384.432 3.201 50 70 biogenic GGIARN O=C(CSCc1ccccc1Cl)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000218384560 136203619 /nfs/dbraw/zinc/20/36/19/136203619.db2.gz UKWARMAAUMTTGU-OAHLLOKOSA-N 0 0 376.913 3.148 50 70 GGIARN COC(=O)C[C@@H](c1cccnc1N1CCCCC1)c1cc2c(cc1O)OCO2 ZINC000217758408 536313257 /nfs/dbraw/zinc/31/32/57/536313257.db2.gz RDUPCVKGFBIPSN-HNNXBMFYSA-N 0 0 384.432 3.201 50 70 biogenic GGIARN CC(=O)Nc1ccc(S(=O)(=O)NCC2(c3ccsc3)CCCC2)cc1 ZINC000217484231 565896991 /nfs/dbraw/zinc/89/69/91/565896991.db2.gz UFUPCNICDKJMPD-UHFFFAOYSA-N 0 0 378.519 3.497 50 70 GGIARN O=C(c1cncc(Br)c1)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217588659 565897357 /nfs/dbraw/zinc/89/73/57/565897357.db2.gz WXLYBQGPBPOSQN-GOSISDBHSA-N 0 0 387.233 3.146 50 70 GGIARN O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc(OC(F)(F)F)cc1 ZINC000217539259 565897589 /nfs/dbraw/zinc/89/75/89/565897589.db2.gz UWIIQBNDFPFXHV-ZDUSSCGKSA-N 0 0 381.397 3.049 50 70 GGIARN CO[C@@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1Cl ZINC000218322355 565898430 /nfs/dbraw/zinc/89/84/30/565898430.db2.gz XXCLDVNOBMIIQT-KRWDZBQOSA-N 0 0 381.881 3.008 50 70 GGIARN O=C(CCc1c(Cl)cccc1Cl)N1CC[C@@H](N2C(=O)CSC2=O)C1 ZINC000217783521 565898804 /nfs/dbraw/zinc/89/88/04/565898804.db2.gz CNBUVLPCWGQTCJ-SNVBAGLBSA-N 0 0 387.288 3.222 50 70 GGIARN COc1cccc(-n2cc(CN(C)C(=O)[C@H]3CCc4ccccc4O3)cn2)c1 ZINC000216985658 570310720 /nfs/dbraw/zinc/31/07/20/570310720.db2.gz CHQVGXHTSQXYMB-OAQYLSRUSA-N 0 0 377.444 3.233 50 70 GGIARN COc1ccc(CNc2c(=O)c(=O)c2NCc2cccc(Cl)c2)cc1OC ZINC000218123164 570325598 /nfs/dbraw/zinc/32/55/98/570325598.db2.gz WMRBEOSFYKGSIZ-UHFFFAOYSA-N 0 0 386.835 3.177 50 70 GGIARN Cc1nnc([C@@H]2CCCN2C(=O)CCCc2nc(-c3ccc(C)cc3)no2)[nH]1 ZINC000218200759 570327556 /nfs/dbraw/zinc/32/75/56/570327556.db2.gz NVMTWKPOACFRGC-INIZCTEOSA-N 0 0 380.452 3.158 50 70 GGIARN CC(C)c1nnc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)[nH]1 ZINC000218236511 570328832 /nfs/dbraw/zinc/32/88/32/570328832.db2.gz KSBXXJPHFXBGCT-UHFFFAOYSA-N 0 0 394.460 3.005 50 70 GGIARN O=C(Cc1csc2nc(-c3ccccc3)cn12)N[C@H](CO)Cc1ccccc1 ZINC000218372839 570332840 /nfs/dbraw/zinc/33/28/40/570332840.db2.gz GUSZCWMYAUUCBK-SFHVURJKSA-N 0 0 391.496 3.325 50 70 GGIARN CC1=C(CCN2CCn3nc([C@@H](O)c4nccn4C)cc3C2)C(C)(C)CCC1 ZINC000218403237 570333554 /nfs/dbraw/zinc/33/35/54/570333554.db2.gz NRWADKKDLQCQJX-HXUWFJFHSA-N 0 0 383.540 3.431 50 70 GGIARN COCCn1c(C)cc(C)c(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1=O ZINC000218444991 570334540 /nfs/dbraw/zinc/33/45/40/570334540.db2.gz YFFLSKJHENXSON-IBGZPJMESA-N 0 0 396.491 3.115 50 70 GGIARN Cc1cc(O)cc(=O)n1CCCC(=O)N[C@H](c1nc2ccccc2n1C)C(C)C ZINC000218485119 570335158 /nfs/dbraw/zinc/33/51/58/570335158.db2.gz GUNCBRSMAOHPFK-NRFANRHFSA-N 0 0 396.491 3.043 50 70 GGIARN Cc1[nH]c2ccc(C(=O)N3CCCn4nc([C@@H](O)C5CC5)cc4C3)cc2c1C ZINC000218499214 570335642 /nfs/dbraw/zinc/33/56/42/570335642.db2.gz WOTJXAVJBSHBLM-NRFANRHFSA-N 0 0 378.476 3.471 50 70 GGIARN COc1ccc(C(=O)N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c(OC)c1OC ZINC000218628413 570338318 /nfs/dbraw/zinc/33/83/18/570338318.db2.gz PIPMBFCWKFHJLO-LIRZEXBASA-N 0 0 375.465 3.036 50 70 GGIARN O=C(Cc1c[nH]c2ccccc12)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000218251178 570818314 /nfs/dbraw/zinc/81/83/14/570818314.db2.gz ZRVYAXRYFIAROW-KRWDZBQOSA-N 0 0 388.427 3.386 50 70 GGIARN COC(=O)CS[C@@H]1CCN(C(=O)CCc2c(OC)ccc3ccccc32)C1 ZINC000217560121 222580528 /nfs/dbraw/zinc/58/05/28/222580528.db2.gz RUBHSEMFVSXIRT-MRXNPFEDSA-N 0 0 387.501 3.288 50 70 GGIARN O=C(c1cc2ccccc2oc1=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217656955 222581070 /nfs/dbraw/zinc/58/10/70/222581070.db2.gz KJUVBYNSRKNIKV-QGZVFWFLSA-N 0 0 386.411 3.139 50 70 GGIARN CC(C)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000217635090 222581796 /nfs/dbraw/zinc/58/17/96/222581796.db2.gz MRBLEZOXLZFCOA-NRFANRHFSA-N 0 0 391.471 3.354 50 70 biogenic GGIARN COc1ccc2cc([C@H]3CC(=O)Oc4c5ccccc5oc(=O)c43)c(=O)[nH]c2c1 ZINC000217816082 222582591 /nfs/dbraw/zinc/58/25/91/222582591.db2.gz QGTBBBQECXYDBL-CQSZACIVSA-N 0 0 389.363 3.084 50 70 biogenic GGIARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 ZINC000217834646 222583381 /nfs/dbraw/zinc/58/33/81/222583381.db2.gz ZVGRHZGGDUAYCP-INIZCTEOSA-N 0 0 398.488 3.083 50 70 GGIARN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2cccc(Cl)c2)nn1C ZINC000218162678 222586519 /nfs/dbraw/zinc/58/65/19/222586519.db2.gz CXIJVWGCUVAEIY-SFHVURJKSA-N 0 0 397.862 3.255 50 70 GGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)CCc1ccc2c(c1)CCO2 ZINC000218392308 222586816 /nfs/dbraw/zinc/58/68/16/222586816.db2.gz XTMWJRJHEZRYSI-INIZCTEOSA-N 0 0 393.487 3.428 50 70 GGIARN Cn1ccc2c1cccc2NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000218399093 222587152 /nfs/dbraw/zinc/58/71/52/222587152.db2.gz QIRPCRLHIJPXKQ-SFHVURJKSA-N 0 0 390.443 3.018 50 70 GGIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc(O)cc1)CC(=O)O2 ZINC000217944461 212113865 /nfs/dbraw/zinc/11/38/65/212113865.db2.gz PMSQULRAUXNDQN-IBGZPJMESA-N 0 0 391.423 3.252 50 70 biogenic GGIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000217985915 212113467 /nfs/dbraw/zinc/11/34/67/212113467.db2.gz LATBORMRYZJRQU-SFHVURJKSA-N 0 0 393.487 3.098 50 70 biogenic GGIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1cccc(O)c1)CC(=O)O2 ZINC000217956104 212112495 /nfs/dbraw/zinc/11/24/95/212112495.db2.gz ZPEBATLLJMUNLY-IBGZPJMESA-N 0 0 391.423 3.252 50 70 biogenic GGIARN O=C(CSCc1ccccc1Cl)N[C@H]1CCCN(c2ncccn2)C1 ZINC000218384627 136203715 /nfs/dbraw/zinc/20/37/15/136203715.db2.gz UKWARMAAUMTTGU-HNNXBMFYSA-N 0 0 376.913 3.148 50 70 GGIARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000217645962 565897645 /nfs/dbraw/zinc/89/76/45/565897645.db2.gz VYCLYFYJCHCYCQ-INIZCTEOSA-N 0 0 393.515 3.136 50 70 GGIARN O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000218706379 565901182 /nfs/dbraw/zinc/90/11/82/565901182.db2.gz NOEYYPMYOQXLSZ-DDUZABMNSA-N 0 0 379.287 3.429 50 70 GGIARN COc1nc2ccccc2nc1CCC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000216946463 570309923 /nfs/dbraw/zinc/30/99/23/570309923.db2.gz XJHPCRKVVXSKDG-UHFFFAOYSA-N 0 0 387.443 3.073 50 70 GGIARN C[C@H](O)c1cc2n(n1)CCCN(C(=O)C(C)(C)Oc1ccc3c(c1)CCC3)C2 ZINC000217996610 570323756 /nfs/dbraw/zinc/32/37/56/570323756.db2.gz OIJSEHOLJCUDAZ-HNNXBMFYSA-N 0 0 383.492 3.015 50 70 GGIARN CCOC(=O)Cc1csc(NC(=O)CCn2ccc3cccc(OC)c32)n1 ZINC000218182253 570327161 /nfs/dbraw/zinc/32/71/61/570327161.db2.gz AFCBQDCATOGJEH-UHFFFAOYSA-N 0 0 387.461 3.241 50 70 GGIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc2[nH]ccc21 ZINC000218172069 570327191 /nfs/dbraw/zinc/32/71/91/570327191.db2.gz XTDSBPCUWPBMFD-SFHVURJKSA-N 0 0 376.416 3.007 50 70 GGIARN Cc1nnc([C@H]2CCCN2C(=O)CCCc2nc(-c3ccc(C)cc3)no2)[nH]1 ZINC000218200821 570327527 /nfs/dbraw/zinc/32/75/27/570327527.db2.gz NVMTWKPOACFRGC-MRXNPFEDSA-N 0 0 380.452 3.158 50 70 GGIARN CSc1cccc(N2C[C@@H](C(=O)Nc3cccc(-c4nc[nH]n4)c3)CC2=O)c1 ZINC000218203760 570327537 /nfs/dbraw/zinc/32/75/37/570327537.db2.gz QMTWJHNBDGAWHB-AWEZNQCLSA-N 0 0 393.472 3.185 50 70 GGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1n[nH]c2c1CCCCC2 ZINC000218229504 570328248 /nfs/dbraw/zinc/32/82/48/570328248.db2.gz QFMJQEQYMDGGQK-AWEZNQCLSA-N 0 0 381.480 3.166 50 70 GGIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000218283834 570329832 /nfs/dbraw/zinc/32/98/32/570329832.db2.gz GZABSMJERSLQIM-KRWDZBQOSA-N 0 0 393.399 3.334 50 70 GGIARN COc1cc2c(cc1OC)CN(C(=O)c1cnc3ccc(F)cc3c1O)CC2 ZINC000218368935 570332760 /nfs/dbraw/zinc/33/27/60/570332760.db2.gz MTAMDRRYTXBPAH-UHFFFAOYSA-N 0 0 382.391 3.295 50 70 GGIARN CC(C)n1ccc2cc(C(=O)NCCn3c4ccccc4[nH]c(=O)c3=O)ccc21 ZINC000218390365 570333196 /nfs/dbraw/zinc/33/31/96/570333196.db2.gz ZMEGECOMOUBENG-UHFFFAOYSA-N 0 0 390.443 3.068 50 70 GGIARN O=C(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)C1(c2ccccc2F)CC1 ZINC000218414517 570333626 /nfs/dbraw/zinc/33/36/26/570333626.db2.gz FIFOKQDHTJKELA-MYKUNDNFSA-N 0 0 381.447 3.421 50 70 GGIARN COCCn1c(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc2cc(Cl)ccc21 ZINC000218474007 570335187 /nfs/dbraw/zinc/33/51/87/570335187.db2.gz PZNCPRRCKOSYBJ-UHFFFAOYSA-N 0 0 387.749 3.330 50 70 GGIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCn1ccc2ccccc21 ZINC000218493828 570335548 /nfs/dbraw/zinc/33/55/48/570335548.db2.gz UPNCQQHFRQDBBN-IBGZPJMESA-N 0 0 393.487 3.029 50 70 GGIARN O=C(c1ccc(Cl)cc1-n1cnnn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000218505794 570335954 /nfs/dbraw/zinc/33/59/54/570335954.db2.gz KHGWZXPTOPXBOC-INIZCTEOSA-N 0 0 393.838 3.169 50 70 GGIARN Cc1n[nH]c(CCC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)c1C ZINC000218656734 570338639 /nfs/dbraw/zinc/33/86/39/570338639.db2.gz DHEHTFPGVRCMFE-CWZMJNCASA-N 0 0 378.476 3.136 50 70 GGIARN COc1cc2c(c(OC)c1OC)[C@@H](c1cc3ccc(C)cc3[nH]c1=O)CC(=O)O2 ZINC000217994486 203789614 /nfs/dbraw/zinc/78/96/14/203789614.db2.gz DSRQLNBWBSOBNE-CYBMUJFWSA-N 0 0 395.411 3.303 50 70 biogenic GGIARN COC(=O)CS[C@@H]1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000217560421 205937796 /nfs/dbraw/zinc/93/77/96/205937796.db2.gz LWJDKRAJHCSDOW-CQSZACIVSA-N 0 0 375.412 3.145 50 70 GGIARN O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217665530 205939753 /nfs/dbraw/zinc/93/97/53/205939753.db2.gz UXTWDYJRFAMMJY-HNNXBMFYSA-N 0 0 387.365 3.446 50 70 GGIARN CCOC(=O)CCC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1 ZINC000217826976 205941463 /nfs/dbraw/zinc/94/14/63/205941463.db2.gz UELQRELGODJUFN-INIZCTEOSA-N 0 0 385.464 3.169 50 70 GGIARN CC(C)[C@H](NC(=O)[C@H](C)N1Cc2ccccc2C1=O)c1nc2ccccc2n1C ZINC000218274459 205946738 /nfs/dbraw/zinc/94/67/38/205946738.db2.gz FFUFEIDECBPFJO-YWZLYKJASA-N 0 0 390.487 3.431 50 70 GGIARN CCCCOc1ccc(NC(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)cc1 ZINC000217736132 205942311 /nfs/dbraw/zinc/94/23/11/205942311.db2.gz NZSCWYNJBRMXMP-KDURUIRLSA-N 0 0 397.475 3.033 50 70 GGIARN O=C(CCCc1ccccc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217841785 205942319 /nfs/dbraw/zinc/94/23/19/205942319.db2.gz DCCTVVIOHMKEFJ-SFHVURJKSA-N 0 0 391.475 3.331 50 70 GGIARN Cc1nnsc1C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217797967 205942549 /nfs/dbraw/zinc/94/25/49/205942549.db2.gz FQNQFFSETHTCTP-GFCCVEGCSA-N 0 0 387.440 3.131 50 70 GGIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1cc(-c2ccccc2)on1 ZINC000218008435 205944217 /nfs/dbraw/zinc/94/42/17/205944217.db2.gz PUVXFHBBRDPFBF-JOCHJYFZSA-N 0 0 378.428 3.304 50 70 GGIARN Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1ccc(F)c(F)c1F ZINC000218435274 534110113 /nfs/dbraw/zinc/11/01/13/534110113.db2.gz LDRGGASRSBJHAQ-LBPRGKRZSA-N 0 0 380.366 3.314 50 70 GGIARN COC(=O)CS[C@H]1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C1 ZINC000217560501 565896945 /nfs/dbraw/zinc/89/69/45/565896945.db2.gz LWJDKRAJHCSDOW-AWEZNQCLSA-N 0 0 375.412 3.145 50 70 GGIARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000217645877 565897395 /nfs/dbraw/zinc/89/73/95/565897395.db2.gz VYCLYFYJCHCYCQ-MRXNPFEDSA-N 0 0 393.515 3.136 50 70 GGIARN CO[C@H](CNC(=O)CCS(=O)(=O)c1ccccc1)c1ccccc1Cl ZINC000218322434 565898491 /nfs/dbraw/zinc/89/84/91/565898491.db2.gz XXCLDVNOBMIIQT-QGZVFWFLSA-N 0 0 381.881 3.008 50 70 GGIARN O=C(CCc1c(Cl)cccc1Cl)N1CC[C@H](N2C(=O)CSC2=O)C1 ZINC000217783450 565898579 /nfs/dbraw/zinc/89/85/79/565898579.db2.gz CNBUVLPCWGQTCJ-JTQLQIEISA-N 0 0 387.288 3.222 50 70 GGIARN COC(=O)c1sccc1Nc1c(=O)c(=O)c1NCc1ccc(Cl)cc1 ZINC000218412821 565899811 /nfs/dbraw/zinc/89/98/11/565899811.db2.gz AHWVXDYJVDRZSG-UHFFFAOYSA-N 0 0 376.821 3.140 50 70 GGIARN O=C(NCC1(c2cccc(F)c2)CCOCC1)c1scc2c1OCCO2 ZINC000218090534 570325066 /nfs/dbraw/zinc/32/50/66/570325066.db2.gz VSXOXHXWPOVPQV-UHFFFAOYSA-N 0 0 377.437 3.137 50 70 GGIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000218260387 570329262 /nfs/dbraw/zinc/32/92/62/570329262.db2.gz VXWOVWKXFCISNV-NSHDSACASA-N 0 0 381.306 3.011 50 70 GGIARN CC1=C(CCN2CCn3nc([C@H](O)c4nccn4C)cc3C2)C(C)(C)CCC1 ZINC000218403322 570333806 /nfs/dbraw/zinc/33/38/06/570333806.db2.gz NRWADKKDLQCQJX-FQEVSTJZSA-N 0 0 383.540 3.431 50 70 GGIARN Cc1cc(=O)c2ccccc2n1CC(=O)NCCCc1nc2ccccc2o1 ZINC000218444737 570334582 /nfs/dbraw/zinc/33/45/82/570334582.db2.gz OEDMEYVYDZTDGW-UHFFFAOYSA-N 0 0 375.428 3.200 50 70 GGIARN COc1ccc2c(ccn2CCNC(=O)CCn2ccc(=O)c3ccccc32)c1 ZINC000218523292 570336351 /nfs/dbraw/zinc/33/63/51/570336351.db2.gz WMGFEQOPDQXIJM-UHFFFAOYSA-N 0 0 389.455 3.171 50 70 GGIARN CCCc1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)n(C)n1 ZINC000218558428 570336579 /nfs/dbraw/zinc/33/65/79/570336579.db2.gz YZLHNTAFVMYSRI-ZYKWQNGHSA-N 0 0 378.476 3.163 50 70 GGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(C)nc2onc(C)c21 ZINC000218551620 570336635 /nfs/dbraw/zinc/33/66/35/570336635.db2.gz CCGAFMUFMLYALG-AWEZNQCLSA-N 0 0 393.447 3.327 50 70 GGIARN CCc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1 ZINC000217574414 570370285 /nfs/dbraw/zinc/37/02/85/570370285.db2.gz BRHTWTJGFOAPDG-ANULTFPQSA-N 0 0 388.467 3.084 50 70 GGIARN O=C(COc1ccccc1-n1cnnc1)NCCn1ccc2c1cccc2Cl ZINC000218553015 570927659 /nfs/dbraw/zinc/92/76/59/570927659.db2.gz JEENXLCYXKHNJL-UHFFFAOYSA-N 0 0 395.850 3.071 50 70 GGIARN CC(C)[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1nc2ccccc2n1C ZINC000218565230 570928691 /nfs/dbraw/zinc/92/86/91/570928691.db2.gz BPTLBKATMUUMJB-PXNSSMCTSA-N 0 0 376.460 3.261 50 70 GGIARN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1C ZINC000217478529 222580413 /nfs/dbraw/zinc/58/04/13/222580413.db2.gz ZHQNWZMABXGLTE-IVAOSVALSA-N 0 0 388.467 3.139 50 70 GGIARN CC(C)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000217635009 208827920 /nfs/dbraw/zinc/82/79/20/208827920.db2.gz MRBLEZOXLZFCOA-OAQYLSRUSA-N 0 0 391.471 3.354 50 70 biogenic GGIARN O=C(NCCn1ccc(-c2ccsc2)n1)C1(c2ccccc2)CCOCC1 ZINC000217887924 208832042 /nfs/dbraw/zinc/83/20/42/208832042.db2.gz AXXBTWNZKUUJHK-UHFFFAOYSA-N 0 0 381.501 3.476 50 70 GGIARN Cn1cc([C@H](O)CNC(=O)c2cc(Br)cs2)c2ccccc21 ZINC000217574953 208829049 /nfs/dbraw/zinc/82/90/49/208829049.db2.gz JLUPBKVNODVMAR-CQSZACIVSA-N 0 0 379.279 3.466 50 70 GGIARN O=C(c1ccc(-c2ccsc2)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217726296 208829833 /nfs/dbraw/zinc/82/98/33/208829833.db2.gz AUSHWXVJVCPSNL-OALUTQOASA-N 0 0 392.480 3.191 50 70 GGIARN O=C(c1ccc2nsnc2c1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217656059 208829917 /nfs/dbraw/zinc/82/99/17/208829917.db2.gz ALLFUQPVSPQFBR-HNNXBMFYSA-N 0 0 376.445 3.037 50 70 GGIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cc(-c2ccccc2)on1 ZINC000218008349 208833945 /nfs/dbraw/zinc/83/39/45/208833945.db2.gz PUVXFHBBRDPFBF-QFIPXVFZSA-N 0 0 378.428 3.304 50 70 GGIARN O=C(N[C@@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000217980969 208833993 /nfs/dbraw/zinc/83/39/93/208833993.db2.gz XIOVTQBZSFVQKO-HNNXBMFYSA-N 0 0 392.333 3.155 50 70 GGIARN O=C(CC1(Cn2cnnn2)CCCCC1)Nc1nc(-c2ccncc2)cs1 ZINC000218178802 208834383 /nfs/dbraw/zinc/83/43/83/208834383.db2.gz ZYKXIPNGCOIHQL-UHFFFAOYSA-N 0 0 383.481 3.171 50 70 GGIARN CC(C)[C@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2n1C ZINC000218216667 208834522 /nfs/dbraw/zinc/83/45/22/208834522.db2.gz VXIRZYMLHUSWOK-NRFANRHFSA-N 0 0 390.487 3.433 50 70 GGIARN Cc1cc(C)n(CCCC(=O)NCCn2ccc3ccc(Cl)cc32)c(=O)n1 ZINC000218521673 208836303 /nfs/dbraw/zinc/83/63/03/208836303.db2.gz XZTNHETVBICWMK-UHFFFAOYSA-N 0 0 386.883 3.065 50 70 GGIARN COc1ccc([C@@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C2CC(O)C2)cn1 ZINC000218659201 208837410 /nfs/dbraw/zinc/83/74/10/208837410.db2.gz YBAGNMFDRJNZGH-CPAJTMIGSA-N 0 0 379.460 3.430 50 70 GGIARN COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)c2nc3ccccc3n2C)cc1 ZINC000218612658 208837607 /nfs/dbraw/zinc/83/76/07/208837607.db2.gz XSYWZNAXRZAHGU-ZDUSSCGKSA-N 0 0 375.432 3.463 50 70 GGIARN COc1cc(F)c(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)c(F)c1 ZINC000218621174 208838744 /nfs/dbraw/zinc/83/87/44/208838744.db2.gz ZSEYDHLAPCXENZ-MSOLQXFVSA-N 0 0 377.387 3.078 50 70 GGIARN O=C(CCCC(=O)N1CCN(c2ccccn2)CC1)Nc1cccc2[nH]ccc21 ZINC000218485843 136203671 /nfs/dbraw/zinc/20/36/71/136203671.db2.gz VOWZSANSBCVVME-UHFFFAOYSA-N 0 0 391.475 3.021 50 70 GGIARN CC[C@H](O)c1cc2n(n1)CCN(c1nc(-c3ccccc3)nc3c1CCC3)C2 ZINC000218479878 136203692 /nfs/dbraw/zinc/20/36/92/136203692.db2.gz KDCRVBBGFJRDNE-FQEVSTJZSA-N 0 0 375.476 3.292 50 70 GGIARN O=C(CCc1ccccc1Br)NC[C@H](O)c1ccc2c(c1)CCO2 ZINC000217584913 565897309 /nfs/dbraw/zinc/89/73/09/565897309.db2.gz KOJBRWGSOVKLDA-KRWDZBQOSA-N 0 0 390.277 3.166 50 70 GGIARN O=C(CCc1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2C(=O)CSC2=O)C1 ZINC000217783700 565898468 /nfs/dbraw/zinc/89/84/68/565898468.db2.gz SMJZCVRLZULBRF-LLVKDONJSA-N 0 0 387.288 3.222 50 70 GGIARN O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1csc2c1CCCC2 ZINC000218548255 565899281 /nfs/dbraw/zinc/89/92/81/565899281.db2.gz JYQPXLCDCDCJTF-CVEARBPZSA-N 0 0 378.519 3.188 50 70 GGIARN O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000218706302 565900556 /nfs/dbraw/zinc/90/05/56/565900556.db2.gz NOEYYPMYOQXLSZ-YEWWUXTCSA-N 0 0 379.287 3.429 50 70 GGIARN COC(=O)[C@@H](NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1)C(C)C ZINC000218171623 570326806 /nfs/dbraw/zinc/32/68/06/570326806.db2.gz UNFUFYJYOVMDLY-IBGZPJMESA-N 0 0 379.412 3.387 50 70 GGIARN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCn1ccc2c1cccc2Cl ZINC000218220556 570327940 /nfs/dbraw/zinc/32/79/40/570327940.db2.gz UYXXYGFQKGKXAG-SFHVURJKSA-N 0 0 383.835 3.201 50 70 GGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000218214470 570327950 /nfs/dbraw/zinc/32/79/50/570327950.db2.gz QYLVKSBQLSOZLS-AWEZNQCLSA-N 0 0 390.443 3.015 50 70 GGIARN Cc1cc(C)nc(Nc2cccc(C(=O)Nc3n[nH]c(C(F)(F)F)n3)c2)n1 ZINC000218211714 570327959 /nfs/dbraw/zinc/32/79/59/570327959.db2.gz KLMDOOWMESSUAB-UHFFFAOYSA-N 0 0 377.330 3.226 50 70 GGIARN COc1ccc(CNc2c(=O)c(=O)c2NCc2ccccc2Cl)cc1OC ZINC000218243044 570328868 /nfs/dbraw/zinc/32/88/68/570328868.db2.gz LLBIDFJSXYVZDV-UHFFFAOYSA-N 0 0 386.835 3.177 50 70 GGIARN CC(C)[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2n1C(C)C ZINC000218273180 570329386 /nfs/dbraw/zinc/32/93/86/570329386.db2.gz UVVKRLYYVYSZMF-SFHVURJKSA-N 0 0 377.452 3.182 50 70 GGIARN COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)Cc2ccccc2)cc1Cl ZINC000218398553 570333386 /nfs/dbraw/zinc/33/33/86/570333386.db2.gz UHAYOOQRGKKHOO-HNNXBMFYSA-N 0 0 385.851 3.072 50 70 GGIARN COc1ccc(CNc2c(=O)c(=O)c2NCc2ccc(Cl)cc2)cc1OC ZINC000218394610 570333402 /nfs/dbraw/zinc/33/34/02/570333402.db2.gz XPVZAZGVQXFERK-UHFFFAOYSA-N 0 0 386.835 3.177 50 70 GGIARN COc1ccc(-c2cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)n(C)n2)cc1 ZINC000218414151 570333752 /nfs/dbraw/zinc/33/37/52/570333752.db2.gz FPLIQOGVKZNPMT-UHFFFAOYSA-N 0 0 394.431 3.315 50 70 GGIARN CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CCc4ccccc4C3)C2=O)cc1 ZINC000218439037 570334148 /nfs/dbraw/zinc/33/41/48/570334148.db2.gz CZQWMYICUMNYJX-FQEVSTJZSA-N 0 0 391.471 3.210 50 70 GGIARN COc1cc(OC)cc([C@H](c2sc3ncnn3c2[O-])[NH+]2CCCCCC2)c1 ZINC000218486934 570335162 /nfs/dbraw/zinc/33/51/62/570335162.db2.gz ZFQYYYQCCIZWCY-MRXNPFEDSA-N 0 0 388.493 3.479 50 70 GGIARN CCCCc1nc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)c[nH]1 ZINC000218766096 570340626 /nfs/dbraw/zinc/34/06/26/570340626.db2.gz IZHYUXPKOBMMAJ-QFIPXVFZSA-N 0 0 379.508 3.436 50 70 GGIARN Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1ccc(F)c(F)c1F ZINC000218435348 231030829 /nfs/dbraw/zinc/03/08/29/231030829.db2.gz LDRGGASRSBJHAQ-GFCCVEGCSA-N 0 0 380.366 3.314 50 70 GGIARN COc1ccc2[nH]cc(CCNC(=O)CC3(n4cccc4)CCOCC3)c2c1 ZINC000218083966 209186055 /nfs/dbraw/zinc/18/60/55/209186055.db2.gz INZXKYDTYNIFAO-UHFFFAOYSA-N 0 0 381.476 3.233 50 70 biogenic GGIARN CCc1nccn1CCC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218382715 211758916 /nfs/dbraw/zinc/75/89/16/211758916.db2.gz ZUCLDQNZDALLSZ-CWZMJNCASA-N 0 0 378.476 3.012 50 70 GGIARN COc1ccc([C@H](NC(=O)c2[nH]c3ccc(C)cc3c2C)C2CC(O)C2)cn1 ZINC000218659274 211760514 /nfs/dbraw/zinc/76/05/14/211760514.db2.gz YBAGNMFDRJNZGH-BUNACBEFSA-N 0 0 379.460 3.430 50 70 GGIARN C[C@@H](C(=O)NCc1nnc2ccccn21)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000218126505 211757624 /nfs/dbraw/zinc/75/76/24/211757624.db2.gz VRRVXUIAYDPYMR-QAPCUYQASA-N 0 0 376.460 3.061 50 70 GGIARN O=C(Cc1cccc2ccccc21)N1[C@@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2 ZINC000217764147 211752809 /nfs/dbraw/zinc/75/28/09/211752809.db2.gz XMBMOQCANMKYKH-DFNIBXOVSA-N 0 0 376.456 3.053 50 70 GGIARN Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccc(Br)o1 ZINC000217868988 211752736 /nfs/dbraw/zinc/75/27/36/211752736.db2.gz HZPJMVCXUDUEGW-UHFFFAOYSA-N 0 0 375.226 3.039 50 70 GGIARN O=C(c1cc2ccccc2oc1=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217657031 211751392 /nfs/dbraw/zinc/75/13/92/211751392.db2.gz KJUVBYNSRKNIKV-KRWDZBQOSA-N 0 0 386.411 3.139 50 70 GGIARN COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(-c3cccc(OC)c3)cc2)C1 ZINC000217558937 211748675 /nfs/dbraw/zinc/74/86/75/211748675.db2.gz SVILYTGTUZZSEK-LJQANCHMSA-N 0 0 385.485 3.483 50 70 GGIARN O=C(C1CCN(c2ccc(Cl)nn2)CC1)N1CCc2c([nH]c3ccccc32)C1 ZINC000218315564 136203620 /nfs/dbraw/zinc/20/36/20/136203620.db2.gz NQFKQNXVLSKPRG-UHFFFAOYSA-N 0 0 395.894 3.413 50 70 biogenic GGIARN COC[C@@H]1[C@H](NC(=O)c2cc(N3CCCCC3)ccc2Cl)[C@@H]2CCO[C@H]12 ZINC000218728222 136203824 /nfs/dbraw/zinc/20/38/24/136203824.db2.gz LYEZFXOVIYUKNY-WLWJZTKJSA-N 0 0 378.900 3.110 50 70 GGIARN O=C(CCc1ccccc1Br)NC[C@@H](O)c1ccc2c(c1)CCO2 ZINC000217585000 565897333 /nfs/dbraw/zinc/89/73/33/565897333.db2.gz KOJBRWGSOVKLDA-QGZVFWFLSA-N 0 0 390.277 3.166 50 70 GGIARN O=C(c1ccccc1Br)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217673302 565897400 /nfs/dbraw/zinc/89/74/00/565897400.db2.gz GPKMQYFOIJTJSQ-UHFFFAOYSA-N 0 0 383.249 3.405 50 70 GGIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1cccc(Br)c1 ZINC000218008731 565898450 /nfs/dbraw/zinc/89/84/50/565898450.db2.gz LNUZRYODJVAHQQ-IBGZPJMESA-N 0 0 390.277 3.412 50 70 GGIARN COc1cccc(-n2cc(CNC(=O)[C@H](c3ccccc3C)N(C)C)cn2)c1 ZINC000217165151 570313106 /nfs/dbraw/zinc/31/31/06/570313106.db2.gz SQYOYNVLRTWQOB-NRFANRHFSA-N 0 0 378.476 3.108 50 70 GGIARN Cc1ncsc1CCNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000217491755 570316848 /nfs/dbraw/zinc/31/68/48/570316848.db2.gz DOGUTRKZDJHDED-UHFFFAOYSA-N 0 0 391.924 3.316 50 70 GGIARN O=C(N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1)c1ccccc1N1CCCC1 ZINC000218064763 570324770 /nfs/dbraw/zinc/32/47/70/570324770.db2.gz JFTGVSCHHPTXKB-TZIWHRDSSA-N 0 0 384.451 3.392 50 70 GGIARN CC[C@H](C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000218151126 570326558 /nfs/dbraw/zinc/32/65/58/570326558.db2.gz PLGWOJJWAANREA-XOBRGWDASA-N 0 0 389.459 3.176 50 70 GGIARN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C ZINC000218175692 570327130 /nfs/dbraw/zinc/32/71/30/570327130.db2.gz LBOKHOLOKXYUDJ-QRWLVFNGSA-N 0 0 394.475 3.028 50 70 GGIARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2n1C ZINC000218175742 570327164 /nfs/dbraw/zinc/32/71/64/570327164.db2.gz LBOKHOLOKXYUDJ-YWZLYKJASA-N 0 0 394.475 3.028 50 70 GGIARN CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000218260329 570329002 /nfs/dbraw/zinc/32/90/02/570329002.db2.gz VXWOVWKXFCISNV-LLVKDONJSA-N 0 0 381.306 3.011 50 70 GGIARN CC(C)(C)OC(=O)NC1CCN(C(=O)c2cnc3c(F)cccc3c2O)CC1 ZINC000218263220 570329035 /nfs/dbraw/zinc/32/90/35/570329035.db2.gz JBSJTPUFQIDYKK-UHFFFAOYSA-N 0 0 389.427 3.209 50 70 GGIARN COCc1nc(-c2cccc(NC(=O)c3cnc4ccccc4c3O)c2)n[nH]1 ZINC000218284992 570329788 /nfs/dbraw/zinc/32/97/88/570329788.db2.gz QOFMJAJVCUJOJE-UHFFFAOYSA-N 0 0 375.388 3.124 50 70 GGIARN COc1ccc(Cc2nc(NC(=O)C3(c4ccccc4)CCOCC3)n[nH]2)cc1 ZINC000218324581 570331197 /nfs/dbraw/zinc/33/11/97/570331197.db2.gz NARIHPFYUJARGD-UHFFFAOYSA-N 0 0 392.459 3.091 50 70 GGIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2oc(C)nc2c1 ZINC000218335541 570331603 /nfs/dbraw/zinc/33/16/03/570331603.db2.gz VABUMYVRJYJSGK-MRXNPFEDSA-N 0 0 382.372 3.394 50 70 GGIARN CC(C)Cc1ccc(-c2cc(C(=O)Nc3n[nH]c([C@H]4CCCO4)n3)n[nH]2)cc1 ZINC000218398361 570333244 /nfs/dbraw/zinc/33/32/44/570333244.db2.gz KLWUUVDZJNEFBB-QGZVFWFLSA-N 0 0 380.452 3.497 50 70 GGIARN CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC1CCCCCCC1 ZINC000218420497 570334003 /nfs/dbraw/zinc/33/40/03/570334003.db2.gz XEGQECFBEVWRFJ-UHFFFAOYSA-N 0 0 377.510 3.242 50 70 GGIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000218424209 570334054 /nfs/dbraw/zinc/33/40/54/570334054.db2.gz UHUPDHDDDVMBJB-ZDUSSCGKSA-N 0 0 381.306 3.361 50 70 GGIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000218424148 570334134 /nfs/dbraw/zinc/33/41/34/570334134.db2.gz UHUPDHDDDVMBJB-CYBMUJFWSA-N 0 0 381.306 3.361 50 70 GGIARN CC[C@H](C)[C@H](NC(=O)c1cccc(-n2nnnc2C)c1)c1nc2ccccc2[nH]1 ZINC000218421094 570334220 /nfs/dbraw/zinc/33/42/20/570334220.db2.gz TXMCEKCFOBYSGN-DJJJIMSYSA-N 0 0 389.463 3.364 50 70 GGIARN CCCn1ncc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)c1C ZINC000218592260 570337315 /nfs/dbraw/zinc/33/73/15/570337315.db2.gz BEDJRAKLSFAHHE-QYGXFBIXSA-N 0 0 378.476 3.392 50 70 GGIARN CCCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3F)co2)s1 ZINC000218293505 570819759 /nfs/dbraw/zinc/81/97/59/570819759.db2.gz GTTQWXVAMMZCIG-UHFFFAOYSA-N 0 0 389.408 3.414 50 70 GGIARN Cc1ccc(/C=C/S(=O)(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000217674658 222581466 /nfs/dbraw/zinc/58/14/66/222581466.db2.gz FBQGLGLLNTVMLT-VAWYXSNFSA-N 0 0 380.473 3.111 50 70 GGIARN COc1cc(OC)c([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)c(OC)c1 ZINC000217749043 222582227 /nfs/dbraw/zinc/58/22/27/222582227.db2.gz DGUMRZJYLPHXKC-ZDUSSCGKSA-N 0 0 382.368 3.260 50 70 biogenic GGIARN O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000218016780 222584173 /nfs/dbraw/zinc/58/41/73/222584173.db2.gz DAUFEPNNKJRASN-PHEKWQANSA-N 0 0 376.815 3.036 50 70 GGIARN CC(C)CN1C[C@@H](C(=O)NCCCc2nc3ccccc3n2C(C)C)CC1=O ZINC000218402120 222586857 /nfs/dbraw/zinc/58/68/57/222586857.db2.gz QHOAETWEHIJMAJ-KRWDZBQOSA-N 0 0 384.524 3.171 50 70 GGIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000218283781 222586956 /nfs/dbraw/zinc/58/69/56/222586956.db2.gz GZABSMJERSLQIM-QGZVFWFLSA-N 0 0 393.399 3.334 50 70 GGIARN CC(C)C[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2[nH]1 ZINC000218438538 222587143 /nfs/dbraw/zinc/58/71/43/222587143.db2.gz KCTOQCFFWBFXKN-KRWDZBQOSA-N 0 0 393.426 3.195 50 70 GGIARN CO[C@H](CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1Cl ZINC000218327789 222587667 /nfs/dbraw/zinc/58/76/67/222587667.db2.gz QFOGWGWDNWDQAG-GOSISDBHSA-N 0 0 395.908 3.180 50 70 GGIARN COc1cc2c(c(OC)c1OC)[C@H](c1cc3ccc(C)cc3[nH]c1=O)CC(=O)O2 ZINC000217994570 212114016 /nfs/dbraw/zinc/11/40/16/212114016.db2.gz DSRQLNBWBSOBNE-ZDUSSCGKSA-N 0 0 395.411 3.303 50 70 biogenic GGIARN COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3c3cccnc3)CC2=O)cc1 ZINC000218084977 212113746 /nfs/dbraw/zinc/11/37/46/212113746.db2.gz HDQWLMAIFQDMNR-XLIONFOSSA-N 0 0 379.460 3.197 50 70 biogenic GGIARN COc1cccc2c(O)c(C(=O)NCCCc3nc4ccccc4n3C)cnc12 ZINC000217971769 212113527 /nfs/dbraw/zinc/11/35/27/212113527.db2.gz GIBUQCSBHYMLBC-UHFFFAOYSA-N 0 0 390.443 3.198 50 70 biogenic GGIARN Cc1cc2c(c(=O)o1)[C@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2 ZINC000218051678 212112380 /nfs/dbraw/zinc/11/23/80/212112380.db2.gz VXDQKLRLFRPJHO-HNNXBMFYSA-N 0 0 379.412 3.360 50 70 biogenic GGIARN CC[C@@H](O)c1cc2n(n1)CCN(c1nc(-c3ccccc3)nc3c1CCC3)C2 ZINC000218479819 136203697 /nfs/dbraw/zinc/20/36/97/136203697.db2.gz KDCRVBBGFJRDNE-HXUWFJFHSA-N 0 0 375.476 3.292 50 70 GGIARN O=C(CC1(n2cccc2)CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000218161772 136203728 /nfs/dbraw/zinc/20/37/28/136203728.db2.gz ZJBKOJREJIKUOA-UHFFFAOYSA-N 0 0 387.911 3.386 50 70 GGIARN CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 ZINC000218228023 535969112 /nfs/dbraw/zinc/96/91/12/535969112.db2.gz WLRMNLYZZFNLHJ-BXWFABGCSA-N 0 0 392.507 3.473 50 70 GGIARN COc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CCc4ccccc4O3)cn2)c1 ZINC000216985646 570310645 /nfs/dbraw/zinc/31/06/45/570310645.db2.gz CHQVGXHTSQXYMB-NRFANRHFSA-N 0 0 377.444 3.233 50 70 GGIARN C[C@@H](O)c1cc2n(n1)CCCN(C(=O)C(C)(C)Oc1ccc3c(c1)CCC3)C2 ZINC000217996532 570323835 /nfs/dbraw/zinc/32/38/35/570323835.db2.gz OIJSEHOLJCUDAZ-OAHLLOKOSA-N 0 0 383.492 3.015 50 70 GGIARN Cc1c(C(=O)NCCn2ccc3c2cccc3Cl)sc2[nH]cnc(=O)c12 ZINC000218153201 570326657 /nfs/dbraw/zinc/32/66/57/570326657.db2.gz CNRDXLRBESMWKR-UHFFFAOYSA-N 0 0 386.864 3.331 50 70 GGIARN Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cc2c(F)cccc2Cl)cn1 ZINC000218223759 570328340 /nfs/dbraw/zinc/32/83/40/570328340.db2.gz GXIUGFITZHETRH-MSOLQXFVSA-N 0 0 378.831 3.078 50 70 GGIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000218253162 570329101 /nfs/dbraw/zinc/32/91/01/570329101.db2.gz UTWOJHDWDPJAJC-ZDUSSCGKSA-N 0 0 379.420 3.157 50 70 GGIARN COc1ccccc1CCN1C[C@H](C(=O)Nc2c(C)nn(C(C)C)c2C)CC1=O ZINC000218252082 570329202 /nfs/dbraw/zinc/32/92/02/570329202.db2.gz PDDUGNVCQFSIFI-GOSISDBHSA-N 0 0 398.507 3.119 50 70 GGIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000218270687 570329428 /nfs/dbraw/zinc/32/94/28/570329428.db2.gz LGSGEJQSOFGSCS-SJORKVTESA-N 0 0 377.872 3.015 50 70 GGIARN COc1cc2c(cc1OC)CN(C(=O)c1cnc3c(F)cccc3c1O)CC2 ZINC000218365244 570332811 /nfs/dbraw/zinc/33/28/11/570332811.db2.gz DDFRSOCSSPLZCQ-UHFFFAOYSA-N 0 0 382.391 3.295 50 70 GGIARN CC[C@H](C)[C@H](NC(=O)c1ccc(-n2nnnc2C)cc1)c1nc2ccccc2[nH]1 ZINC000218400836 570333216 /nfs/dbraw/zinc/33/32/16/570333216.db2.gz XAVNPSXIJUFGQZ-DJJJIMSYSA-N 0 0 389.463 3.364 50 70 GGIARN COc1ccc(CCc2nc(NC(=O)Cc3cc(F)c(F)cc3F)n[nH]2)cc1 ZINC000218392417 570333322 /nfs/dbraw/zinc/33/33/22/570333322.db2.gz PKHQZMZQWWLXBT-UHFFFAOYSA-N 0 0 390.365 3.197 50 70 GGIARN CC(C)CN1C[C@H](C(=O)NCCCc2nc3ccccc3n2C(C)C)CC1=O ZINC000218402044 570333603 /nfs/dbraw/zinc/33/36/03/570333603.db2.gz QHOAETWEHIJMAJ-QGZVFWFLSA-N 0 0 384.524 3.171 50 70 GGIARN Cc1[nH]c2ccc(C(=O)N3CCCn4nc([C@H](O)C5CC5)cc4C3)cc2c1C ZINC000218499286 570335433 /nfs/dbraw/zinc/33/54/33/570335433.db2.gz WOTJXAVJBSHBLM-OAQYLSRUSA-N 0 0 378.476 3.471 50 70 GGIARN Cc1n[nH]c(CCC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c1C ZINC000218656824 570338695 /nfs/dbraw/zinc/33/86/95/570338695.db2.gz DHEHTFPGVRCMFE-QRFVXNFXSA-N 0 0 378.476 3.136 50 70 GGIARN CC(C)c1ncc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 ZINC000218734992 570340066 /nfs/dbraw/zinc/34/00/66/570340066.db2.gz MYFCCNHUWAVXLX-PKUWUEBNSA-N 0 0 376.460 3.390 50 70 GGIARN CC(C)c1ncc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)cn1 ZINC000218735054 570340074 /nfs/dbraw/zinc/34/00/74/570340074.db2.gz MYFCCNHUWAVXLX-UPQHMETBSA-N 0 0 376.460 3.390 50 70 GGIARN Cc1ccc(=O)n([C@@H](C)C(=O)Nc2ccccc2-c2cn3ccsc3n2)n1 ZINC000218567557 570928587 /nfs/dbraw/zinc/92/85/87/570928587.db2.gz NTQZRYDZNXIBLT-ZDUSSCGKSA-N 0 0 379.445 3.128 50 70 GGIARN CC(C)[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2n1C ZINC000218565309 570928685 /nfs/dbraw/zinc/92/86/85/570928685.db2.gz BPTLBKATMUUMJB-XLIONFOSSA-N 0 0 376.460 3.261 50 70 GGIARN