smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(=N)c(C(=O)NCCN2CCOCC2)cc2c1nc1ccccn1c2=O ZINC000000788453 569007735 /nfs/dbraw/zinc/00/77/35/569007735.db2.gz BFKJCNAUCRLLCO-UHFFFAOYSA-N 0 0 408.462 0.377 50 30 HCEARN C=CCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N ZINC000000788455 569009466 /nfs/dbraw/zinc/00/94/66/569009466.db2.gz WTTBTSHQZVSWNV-UHFFFAOYSA-N 0 0 422.489 0.685 50 30 HCEARN C=CCn1c2nc3ccc(C)cn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N ZINC000000788461 568477976 /nfs/dbraw/zinc/47/79/76/568477976.db2.gz TVUBJMJWGLHQFA-UHFFFAOYSA-N 0 0 422.489 0.685 50 30 HCEARN C=CCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000000812590 568495304 /nfs/dbraw/zinc/49/53/04/568495304.db2.gz ICMWLVOUWBOHEE-UHFFFAOYSA-N 0 0 410.478 0.955 50 30 HCEARN COC(=O)/C=c1/s/c(=C(\C#N)C(=O)NCc2ccccc2)n(-c2ccccc2)c1=O ZINC000000958947 568758116 /nfs/dbraw/zinc/75/81/16/568758116.db2.gz UHVOPBHOCUTTBX-LLPMHIJWSA-N 0 0 419.462 0.843 50 30 HCEARN COC(=O)/C=c1/s/c(=C(/C#N)C(=O)NCc2ccccc2)n(-c2ccccc2)c1=O ZINC000000958949 568758259 /nfs/dbraw/zinc/75/82/59/568758259.db2.gz UHVOPBHOCUTTBX-JPTVTEEHSA-N 0 0 419.462 0.843 50 30 HCEARN CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H](C(N)=O)N2C=C(C(N)=O)C=C[C@H]21 ZINC000001084888 521175398 /nfs/dbraw/zinc/17/53/98/521175398.db2.gz YUDPHVGWSPLQCF-ZFCANOHDSA-N 0 0 414.849 0.974 50 30 HCEARN COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 ZINC000002071929 569277516 /nfs/dbraw/zinc/27/75/16/569277516.db2.gz HYNDXADERDVTHV-UHFFFAOYSA-N 0 0 407.477 0.784 50 30 HCEARN Cn1c2nc(N=NC=CCc3ccc([N+](=O)[O-])o3)n(CCO)c2c(=O)n(C)c1=O ZINC000002190523 569293826 /nfs/dbraw/zinc/29/38/26/569293826.db2.gz HZZSYNMPXRXRMW-LQXXQBPLSA-N 0 0 403.355 0.038 50 30 biogenic HCEARN COC(=O)CN1c2ccccc2[C@@]2(C1=O)C(C(=O)OC)=C(N)OC1=C2C(=O)CCC1 ZINC000002196507 569294630 /nfs/dbraw/zinc/29/46/30/569294630.db2.gz JNUCAFKMPUFGFZ-NRFANRHFSA-N 0 0 412.398 0.825 50 30 HCEARN CCOC(=O)/C=c1/s/c(=C(\C#N)C(=O)NCc2ccco2)n(-c2ccccc2)c1=O ZINC000002214665 569309761 /nfs/dbraw/zinc/30/97/61/569309761.db2.gz ZDJBNZUIEJUUMP-ZAISKLQXSA-N 0 0 423.450 0.826 50 30 HCEARN CCOC(=O)/C=c1/s/c(=C(/C#N)C(=O)NCc2ccco2)n(-c2ccccc2)c1=O ZINC000002214669 569309748 /nfs/dbraw/zinc/30/97/48/569309748.db2.gz ZDJBNZUIEJUUMP-LCTJDMGRSA-N 0 0 423.450 0.826 50 30 HCEARN COC(=O)/C=c1/s/c(=C(\C#N)C(=O)NCc2ccco2)n(-c2ccccc2)c1=O ZINC000002223074 569313267 /nfs/dbraw/zinc/31/32/67/569313267.db2.gz SGKQXRXCSRWKCS-NWNFKSAJSA-N 0 0 409.423 0.436 50 30 HCEARN COC(=O)/C=c1/s/c(=C(/C#N)C(=O)NCc2ccco2)n(-c2ccccc2)c1=O ZINC000002223077 569312964 /nfs/dbraw/zinc/31/29/64/569312964.db2.gz SGKQXRXCSRWKCS-WDDFUJBJSA-N 0 0 409.423 0.436 50 30 HCEARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(S(=O)(=O)N=C(N)N)cc1 ZINC000002226974 569315406 /nfs/dbraw/zinc/31/54/06/569315406.db2.gz QCPOGKVMXUNUHR-OAHLLOKOSA-N 0 0 406.420 0.947 50 30 HCEARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(S(=O)(=O)N=C(N)N)cc1 ZINC000002226976 569315351 /nfs/dbraw/zinc/31/53/51/569315351.db2.gz QCPOGKVMXUNUHR-HNNXBMFYSA-N 0 0 406.420 0.947 50 30 HCEARN NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000002391038 557343801 /nfs/dbraw/zinc/34/38/01/557343801.db2.gz QHYNODSDBUNAIJ-UHFFFAOYSA-N 0 0 421.460 0.504 50 30 HCEARN COC(=O)CN1c2ccccc2[C@]2(C1=O)C(C(=O)OC)=C(N)OC1=C2C(=O)CCC1 ZINC000002482380 568775144 /nfs/dbraw/zinc/77/51/44/568775144.db2.gz JNUCAFKMPUFGFZ-OAQYLSRUSA-N 0 0 412.398 0.825 50 30 HCEARN CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)Nc3cccc(C#N)c3)c2c1 ZINC000002633501 568791363 /nfs/dbraw/zinc/79/13/63/568791363.db2.gz FZHBQNUMGKAIJN-UHFFFAOYSA-N 0 0 400.420 0.621 50 30 HCEARN NC(N)=NS(=O)(=O)c1ccc(NC(=O)CCn2cc(Br)cn2)cc1 ZINC000002786766 568808966 /nfs/dbraw/zinc/80/89/66/568808966.db2.gz AYYXDBVDGCJOKA-UHFFFAOYSA-N 0 0 415.273 0.637 50 30 HCEARN CCOC(=O)c1cnn2c1nnc(C#N)c2NC(=O)c1c(Br)cnn1C ZINC000002835344 568812677 /nfs/dbraw/zinc/81/26/77/568812677.db2.gz GCLXZVJXCNZIIU-UHFFFAOYSA-N 0 0 419.199 0.921 50 30 HCEARN Cc1ccc(S(=O)(=O)c2nc(/C=N/NC(N)=S)oc2N2CCOCC2)cc1 ZINC000002890499 568815033 /nfs/dbraw/zinc/81/50/33/568815033.db2.gz JPRWBQMEFLRWIE-VCHYOVAHSA-N 0 0 409.493 0.820 50 30 HCEARN NC(=O)C1CCN(C(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)cc2)CC1 ZINC000002958952 568830086 /nfs/dbraw/zinc/83/00/86/568830086.db2.gz RASUEEDIWLKAIZ-HUUCEWRRSA-N 0 0 422.532 0.514 50 30 HCEARN NC(=O)C1CCN(C(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)CC1 ZINC000002958954 568830046 /nfs/dbraw/zinc/83/00/46/568830046.db2.gz RASUEEDIWLKAIZ-CABCVRRESA-N 0 0 422.532 0.514 50 30 HCEARN C=CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000003017099 557784054 /nfs/dbraw/zinc/78/40/54/557784054.db2.gz KWDZAWPXIRBDTM-INIZCTEOSA-N 0 0 409.508 0.767 50 30 HCEARN C=CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000003017103 557784048 /nfs/dbraw/zinc/78/40/48/557784048.db2.gz KWDZAWPXIRBDTM-MRXNPFEDSA-N 0 0 409.508 0.767 50 30 HCEARN C=CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000003027705 557782543 /nfs/dbraw/zinc/78/25/43/557782543.db2.gz DNULFUFEVUTKKM-INIZCTEOSA-N 0 0 411.480 0.159 50 30 HCEARN C=CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000003027709 557782455 /nfs/dbraw/zinc/78/24/55/557782455.db2.gz DNULFUFEVUTKKM-MRXNPFEDSA-N 0 0 411.480 0.159 50 30 HCEARN C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(OC)cc1 ZINC000003212966 568621354 /nfs/dbraw/zinc/62/13/54/568621354.db2.gz AYOPUEQOLCKTNQ-LBPRGKRZSA-N 0 0 401.423 0.470 50 30 HCEARN C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(OC)cc1 ZINC000003212969 558427078 /nfs/dbraw/zinc/42/70/78/558427078.db2.gz AYOPUEQOLCKTNQ-GFCCVEGCSA-N 0 0 401.423 0.470 50 30 HCEARN C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2ccccc2c1=O ZINC000003304205 568877231 /nfs/dbraw/zinc/87/72/31/568877231.db2.gz IHOFIWORPDCOCO-UHFFFAOYSA-N 0 0 413.459 0.537 50 30 HCEARN C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000003306387 568877636 /nfs/dbraw/zinc/87/76/36/568877636.db2.gz GRNNZPCWFXNKER-GFCCVEGCSA-N 0 0 403.391 0.366 50 30 HCEARN CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000003337291 560593599 /nfs/dbraw/zinc/59/35/99/560593599.db2.gz LLRMNEKSKRRGFT-LBPRGKRZSA-N 0 0 424.548 0.672 50 30 HCEARN CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000003337293 560593568 /nfs/dbraw/zinc/59/35/68/560593568.db2.gz LLRMNEKSKRRGFT-GFCCVEGCSA-N 0 0 424.548 0.672 50 30 HCEARN C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccncc1 ZINC000003363764 568888667 /nfs/dbraw/zinc/88/86/67/568888667.db2.gz ONZVSJNZUDVGBN-UHFFFAOYSA-N 0 0 413.463 0.481 50 30 HCEARN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCN1C(=O)c2ccccc2C1=O ZINC000003420378 568899825 /nfs/dbraw/zinc/89/98/25/568899825.db2.gz QVOLMAGLELWWRS-UHFFFAOYSA-N 0 0 413.411 0.676 50 30 HCEARN Cc1cn([C@H]2C[C@H](OS(C)(=O)=O)[C@@H](COC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O ZINC000003956722 557503693 /nfs/dbraw/zinc/50/36/93/557503693.db2.gz RVKZVHNCKXHCFT-QJPTWQEYSA-N 0 0 404.441 0.067 50 30 HCEARN CC(C)OC[C@H](O)Cn1c(N=NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004032326 568878962 /nfs/dbraw/zinc/87/89/62/568878962.db2.gz AONKZWHPVNPKDW-UMXKZIAQSA-N 0 0 400.439 0.655 50 30 HCEARN CC(C)OC[C@@H](O)Cn1c(N=NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004032327 568878956 /nfs/dbraw/zinc/87/89/56/568878956.db2.gz AONKZWHPVNPKDW-IEEVUCOHSA-N 0 0 400.439 0.655 50 30 HCEARN COC(=O)CN1c2ccccc2[C@]2(C1=O)C(C(C)=O)=C(C)OC(N)=C2C(=O)OC ZINC000004074010 568938119 /nfs/dbraw/zinc/93/81/19/568938119.db2.gz SAMDDEPSDSGZTQ-FQEVSTJZSA-N 0 0 400.387 0.681 50 30 biogenic HCEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@]12c1ccccc1N(CC(N)=O)C2=O ZINC000004177943 568948985 /nfs/dbraw/zinc/94/89/85/568948985.db2.gz HVBXQWBZCGEHRV-NRFANRHFSA-N 0 0 411.414 0.527 50 30 HCEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@]12c1ccccc1N(CC(N)=O)C2=O ZINC000004177944 568949085 /nfs/dbraw/zinc/94/90/85/568949085.db2.gz HVBXQWBZCGEHRV-OAQYLSRUSA-N 0 0 411.414 0.527 50 30 HCEARN Cc1ccc(S(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)c2cnn(-c3ccccc3)n2)cc1 ZINC000004206864 557528909 /nfs/dbraw/zinc/52/89/09/557528909.db2.gz WHXCEDUFWVSHQA-OTWHNJEPSA-N 0 0 419.459 0.736 50 30 HCEARN Cc1ccc(S(=O)(=O)OC[C@H](O)[C@@H](O)[C@H](O)c2cnn(-c3ccccc3)n2)cc1 ZINC000004206868 557528913 /nfs/dbraw/zinc/52/89/13/557528913.db2.gz WHXCEDUFWVSHQA-IPMKNSEASA-N 0 0 419.459 0.736 50 30 HCEARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004285367 568959245 /nfs/dbraw/zinc/95/92/45/568959245.db2.gz WJTHYUGDXBDUQO-CYBMUJFWSA-N 0 0 403.478 0.846 50 30 HCEARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004285370 568959231 /nfs/dbraw/zinc/95/92/31/568959231.db2.gz WJTHYUGDXBDUQO-ZDUSSCGKSA-N 0 0 403.478 0.846 50 30 HCEARN N#C/C(C(=O)N1CCOCC1)=c1\s/c(=C/c2ccncc2)c(=O)n1-c1ccccc1 ZINC000004302002 568960155 /nfs/dbraw/zinc/96/01/55/568960155.db2.gz GZQHTJSHABNCJP-ALLHWFAESA-N 0 0 418.478 0.656 50 30 HCEARN C=CCOC[C@@H](O)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004317921 568962620 /nfs/dbraw/zinc/96/26/20/568962620.db2.gz YGRINAFCGJSLGD-INIZCTEOSA-N 0 0 413.478 0.634 50 30 HCEARN C=CCOC[C@H](O)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004317922 568962712 /nfs/dbraw/zinc/96/27/12/568962712.db2.gz YGRINAFCGJSLGD-MRXNPFEDSA-N 0 0 413.478 0.634 50 30 HCEARN C=CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000004357365 558445627 /nfs/dbraw/zinc/44/56/27/558445627.db2.gz WVOAFOGGJMWEKY-CQSZACIVSA-N 0 0 403.407 0.120 50 30 HCEARN C=CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000004357368 558445639 /nfs/dbraw/zinc/44/56/39/558445639.db2.gz WVOAFOGGJMWEKY-AWEZNQCLSA-N 0 0 403.407 0.120 50 30 HCEARN C=CCNC(=O)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000004357480 558445847 /nfs/dbraw/zinc/44/58/47/558445847.db2.gz AIXCPEQQVUPODO-CQSZACIVSA-N 0 0 401.872 0.496 50 30 HCEARN C=CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000004357484 558445871 /nfs/dbraw/zinc/44/58/71/558445871.db2.gz AIXCPEQQVUPODO-AWEZNQCLSA-N 0 0 401.872 0.496 50 30 HCEARN C#C/C(=C(C(=O)OC)/C(C(=O)OC)=C(/CC(=O)OC)C(=O)OC)c1ccccn1 ZINC000004363295 568963679 /nfs/dbraw/zinc/96/36/79/568963679.db2.gz MLQRUOVVXFVFGR-UNZYHPAISA-N 0 0 401.371 0.847 50 30 HCEARN C=CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCN2CCOCC2)c1=N ZINC000004552981 558720458 /nfs/dbraw/zinc/72/04/58/558720458.db2.gz XBSBKDUCPYTUJK-UHFFFAOYSA-N 0 0 408.462 0.377 50 30 HCEARN C=CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCN2CCOCC2)c1=N ZINC000004552982 558720321 /nfs/dbraw/zinc/72/03/21/558720321.db2.gz UALMYNCWPIAVAP-UHFFFAOYSA-N 0 0 422.489 0.685 50 30 HCEARN C=CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCN2CCOCC2)c1=N ZINC000004552983 558720353 /nfs/dbraw/zinc/72/03/53/558720353.db2.gz OMLCWQLOGVTYSS-UHFFFAOYSA-N 0 0 422.489 0.685 50 30 HCEARN C=CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCCN2CCOCC2)c1=N ZINC000004552992 558720360 /nfs/dbraw/zinc/72/03/60/558720360.db2.gz VPSGNIBOBQWCHS-UHFFFAOYSA-N 0 0 422.489 0.767 50 30 HCEARN C=CCNC(=O)COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O ZINC000004583961 558774517 /nfs/dbraw/zinc/77/45/17/558774517.db2.gz WPQUKTFFUJMPEQ-UHFFFAOYSA-N 0 0 401.419 0.872 50 30 HCEARN CN(CCC#N)S(=O)(=O)c1ccc2ncc(C(=O)NC[C@@H]3CCCO3)c(O)c2c1 ZINC000004687675 558898469 /nfs/dbraw/zinc/89/84/69/558898469.db2.gz FBXKLTICKRRAHO-ZDUSSCGKSA-N 0 0 418.475 0.971 50 30 HCEARN CN(CCC#N)S(=O)(=O)c1ccc2ncc(C(=O)NC[C@H]3CCCO3)c(O)c2c1 ZINC000004687679 558898451 /nfs/dbraw/zinc/89/84/51/558898451.db2.gz FBXKLTICKRRAHO-CYBMUJFWSA-N 0 0 418.475 0.971 50 30 HCEARN COC(=O)c1ccc(O)c(/C=N/N(CCO)C2=NS(=O)(=O)c3ccccc32)c1 ZINC000004705159 558912634 /nfs/dbraw/zinc/91/26/34/558912634.db2.gz JVFQELQLVIXOCD-YBFXNURJSA-N 0 0 403.416 0.956 50 30 HCEARN CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(C(N)=O)=CN2[C@@H](C(N)=O)[C@@H]1c1ccccc1Cl ZINC000004772804 559058163 /nfs/dbraw/zinc/05/81/63/559058163.db2.gz OUQWXMDRPJJMPL-ZFCANOHDSA-N 0 0 414.849 0.974 50 30 HCEARN Cc1ccccc1OC[C@H](O)Cn1c(N=NC(C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000004786179 557597962 /nfs/dbraw/zinc/59/79/62/557597962.db2.gz 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JKKRQBXKAUWNIC-CALCHBBNSA-N 0 0 405.520 0.876 50 30 HCEARN C#CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000095385764 568603669 /nfs/dbraw/zinc/60/36/69/568603669.db2.gz JKKRQBXKAUWNIC-IRXDYDNUSA-N 0 0 405.520 0.876 50 30 HCEARN C#CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000095385765 518269910 /nfs/dbraw/zinc/26/99/10/518269910.db2.gz JKKRQBXKAUWNIC-IAGOWNOFSA-N 0 0 405.520 0.876 50 30 HCEARN CS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000095413831 568606889 /nfs/dbraw/zinc/60/68/89/568606889.db2.gz PIYIKILUENMUSN-SFHVURJKSA-N 0 0 423.514 0.112 50 30 HCEARN CS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000095413832 525174830 /nfs/dbraw/zinc/17/48/30/525174830.db2.gz PIYIKILUENMUSN-GOSISDBHSA-N 0 0 423.514 0.112 50 30 HCEARN C#CC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(N)=O ZINC000095441219 568610552 /nfs/dbraw/zinc/61/05/52/568610552.db2.gz CLVWQVZJRSKPPC-JTQLQIEISA-N 0 0 409.283 0.008 50 30 HCEARN C#CC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(N)=O ZINC000095441220 568610587 /nfs/dbraw/zinc/61/05/87/568610587.db2.gz CLVWQVZJRSKPPC-SNVBAGLBSA-N 0 0 409.283 0.008 50 30 HCEARN C#CCN1CCN(C(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)[C@@H](C)CC)CC1 ZINC000095444825 568611672 /nfs/dbraw/zinc/61/16/72/568611672.db2.gz XWDKJEJVNIIMNF-YJBOKZPZSA-N 0 0 402.520 0.917 50 30 HCEARN C=C[C@H](C)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OC ZINC000095459588 519300022 /nfs/dbraw/zinc/30/00/22/519300022.db2.gz CJRAVWDZDMRHBH-SJCJKPOMSA-N 0 0 412.464 0.558 50 30 HCEARN C=C[C@@H](C)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OC ZINC000095459589 568619801 /nfs/dbraw/zinc/61/98/01/568619801.db2.gz CJRAVWDZDMRHBH-PXAZEXFGSA-N 0 0 412.464 0.558 50 30 HCEARN C=C[C@H](C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OC ZINC000095459590 568619764 /nfs/dbraw/zinc/61/97/64/568619764.db2.gz CJRAVWDZDMRHBH-YVEFUNNKSA-N 0 0 412.464 0.558 50 30 HCEARN C=C[C@@H](C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OC ZINC000095459591 519294262 /nfs/dbraw/zinc/29/42/62/519294262.db2.gz CJRAVWDZDMRHBH-SJKOYZFVSA-N 0 0 412.464 0.558 50 30 HCEARN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000095460877 568620460 /nfs/dbraw/zinc/62/04/60/568620460.db2.gz WEJMXTVQWOFLHT-HNNXBMFYSA-N 0 0 416.525 0.778 50 30 HCEARN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000095460878 568620376 /nfs/dbraw/zinc/62/03/76/568620376.db2.gz WEJMXTVQWOFLHT-OAHLLOKOSA-N 0 0 416.525 0.778 50 30 HCEARN C[C@@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@H](c2ccccc2)O1 ZINC000095461330 568620650 /nfs/dbraw/zinc/62/06/50/568620650.db2.gz FGFCKZNMLHBNSI-UKRRQHHQSA-N 0 0 400.439 0.943 50 30 HCEARN C[C@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)C[C@H](c2ccccc2)O1 ZINC000095461331 568620662 /nfs/dbraw/zinc/62/06/62/568620662.db2.gz FGFCKZNMLHBNSI-DZGCQCFKSA-N 0 0 400.439 0.943 50 30 HCEARN 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