smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@H]1C[NH2+][C@H](C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC000067805296 205260697 /nfs/dbraw/zinc/26/06/97/205260697.db2.gz ZMACSCVDZLFTBW-NQIIRXRSSA-N 1 1 380.492 1.603 50 10 GDCAMO CCOC(=O)c1c(C)n(CC(=O)OC)c2ccc(O)c(C[NH+]3CCOCC3)c21 ZINC000019932478 570231265 /nfs/dbraw/zinc/23/12/65/570231265.db2.gz RAMMDANPHPEVEZ-UHFFFAOYSA-N 1 1 390.436 1.837 50 10 GDCAMO COc1ccc(N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=S)cc1 ZINC000019996333 570234453 /nfs/dbraw/zinc/23/44/53/570234453.db2.gz ZFTJDAPUFQKLIO-DTQAZKPQSA-N 1 1 388.493 1.402 50 10 GDCAMO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1cc(OC)ccc1O)CC2 ZINC000011868358 204359319 /nfs/dbraw/zinc/35/93/19/204359319.db2.gz SGTZLUMUDORKHS-AWEZNQCLSA-N 1 1 387.484 1.713 50 10 GDCAMO CC[NH+](CC)CCNNC=C1C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000020393205 570254051 /nfs/dbraw/zinc/25/40/51/570254051.db2.gz RWKFCBWZKZCMIP-SDNWHVSQSA-N 1 1 379.461 1.734 50 10 GDCAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCOc3cc(N(C)C)ccc32)C1 ZINC000095405726 535117209 /nfs/dbraw/zinc/11/72/09/535117209.db2.gz MPTDGQHJIVJYIU-GOSISDBHSA-N 1 1 390.528 1.424 50 10 GDCAMO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1cc(OC)ccc1O)CC2 ZINC000011868356 204359714 /nfs/dbraw/zinc/35/97/14/204359714.db2.gz SGTZLUMUDORKHS-CQSZACIVSA-N 1 1 387.484 1.713 50 10 GDCAMO C[NH+]1CCN(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)CC1 ZINC000005175304 204116636 /nfs/dbraw/zinc/11/66/36/204116636.db2.gz FJHJPTMXNXMNAG-FYWRMAATSA-N 1 1 390.534 1.557 50 10 GDCAMO C[NH+]1CCN(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 ZINC000001203253 570257734 /nfs/dbraw/zinc/25/77/34/570257734.db2.gz FJHJPTMXNXMNAG-SQFISAMPSA-N 1 1 390.534 1.557 50 10 GDCAMO C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1ccccc1O)CC2 ZINC000012041229 204368898 /nfs/dbraw/zinc/36/88/98/204368898.db2.gz IPJQEDUJNKVSNN-HNNXBMFYSA-N 1 1 392.463 1.928 50 10 GDCAMO O=C([C@H]1[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21)N1CCN(c2ncccn2)CC1 ZINC000102662341 136190483 /nfs/dbraw/zinc/19/04/83/136190483.db2.gz ZKOPMHYIRLDYPV-DZFIZOCASA-N 1 1 379.464 1.209 50 10 GDCAMO CCCNC(=O)c1coc(CN2CC[NH+](Cc3cccc(OC)c3O)CC2)n1 ZINC000034678161 570294604 /nfs/dbraw/zinc/29/46/04/570294604.db2.gz VSSSRBUVBQPVMG-UHFFFAOYSA-N 1 1 388.468 1.846 50 10 GDCAMO CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000035392513 570348370 /nfs/dbraw/zinc/34/83/70/570348370.db2.gz ZXSIMIDUVCCQSU-HXUWFJFHSA-N 1 1 380.492 1.714 50 10 GDCAMO CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035392513 570348371 /nfs/dbraw/zinc/34/83/71/570348371.db2.gz ZXSIMIDUVCCQSU-HXUWFJFHSA-N 1 1 380.492 1.714 50 10 GDCAMO COc1ccc(CN2C(=O)NC(=O)C(=CNCCCn3ccnc3)C2=O)cc1 ZINC000100763119 570442800 /nfs/dbraw/zinc/44/28/00/570442800.db2.gz IQPOTBBWJQOXSS-LFIBNONCSA-N 1 1 383.408 1.034 50 10 GDCAMO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000037176632 205024817 /nfs/dbraw/zinc/02/48/17/205024817.db2.gz ZUNSADGXFHRFFU-CALCHBBNSA-N 1 1 397.541 1.481 50 10 GDCAMO CC[NH+](CC)CCCNC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000001839212 570436914 /nfs/dbraw/zinc/43/69/14/570436914.db2.gz CZWWUPXKVVRGMA-SAPNQHFASA-N 1 1 390.459 1.652 50 10 GDCAMO COc1ccc(N2CCN(C(=S)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000020097977 570239379 /nfs/dbraw/zinc/23/93/79/570239379.db2.gz KXGGODYMTUESAV-UHFFFAOYSA-N 1 1 378.542 1.414 50 10 GDCAMO COc1ccc(N2CCN(C(=O)C[C@@H]3[NH2+][C@@H]4CCCC[C@@H]4NC3=O)CC2)cc1 ZINC000012407396 570662654 /nfs/dbraw/zinc/66/26/54/570662654.db2.gz WWOXUPFIGQWPHZ-QYZOEREBSA-N 1 1 386.496 1.133 50 10 GDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000002220127 530532154 /nfs/dbraw/zinc/53/21/54/530532154.db2.gz ZKJODVAGYIELQQ-VAWYXSNFSA-N 1 1 380.901 1.903 50 10 GDCAMO COc1ccccc1N1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)NC1=S ZINC000019998173 207173404 /nfs/dbraw/zinc/17/34/04/207173404.db2.gz LRGGOCNPWNGWTP-BUHFOSPRSA-N 1 1 388.493 1.402 50 10 GDCAMO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCN(c3ccccc3)CC1)cc2=O ZINC000103246337 136191025 /nfs/dbraw/zinc/19/10/25/136191025.db2.gz CWOWINZJAFQQJB-UHFFFAOYSA-N 1 1 381.436 1.934 50 10 GDCAMO C[NH+]1CCN(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 ZINC000005376086 570569132 /nfs/dbraw/zinc/56/91/32/570569132.db2.gz QCQRTXROCAGNAA-WYMLVPIESA-N 1 1 394.522 1.540 50 10 GDCAMO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H](O)[C@@H](N2CCN(c3ccccn3)CC2)C1 ZINC000019636652 207144587 /nfs/dbraw/zinc/14/45/87/207144587.db2.gz RQZUPVKYXKMDKS-HKUYNNGSSA-N 1 1 388.899 1.808 50 10 GDCAMO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(O)c1O ZINC000012507326 570823153 /nfs/dbraw/zinc/82/31/53/570823153.db2.gz CISXYJMLZZDTLA-QGZVFWFLSA-N 1 1 397.391 1.714 50 10 GDCAMO CC[NH+](CC)CCCNC=C1C(=O)NC(=S)N(c2ccc(OC)cc2)C1=O ZINC000002594790 570291881 /nfs/dbraw/zinc/29/18/81/570291881.db2.gz YREOPXJBYHQANV-DTQAZKPQSA-N 1 1 390.509 1.648 50 10 GDCAMO CC[NH+](CC)CCCNC=C1C(=O)NC(=S)N(c2ccccc2OC)C1=O ZINC000001863056 206393671 /nfs/dbraw/zinc/39/36/71/206393671.db2.gz KJNOUOUILSQMKQ-BUHFOSPRSA-N 1 1 390.509 1.648 50 10 GDCAMO COc1ccc(O)c(C[N@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)c1 ZINC000020203846 207181674 /nfs/dbraw/zinc/18/16/74/207181674.db2.gz AHNJVDMVVRBJBK-TZIWHRDSSA-N 1 1 398.507 1.553 50 10 GDCAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c(C)n1-c1ccccc1 ZINC000091637101 208130417 /nfs/dbraw/zinc/13/04/17/208130417.db2.gz LKGUOICAPQJLCI-RTBURBONSA-N 1 1 385.508 1.699 50 10 GDCAMO COc1ccc(O)c(C[N@@H+]2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c1 ZINC000012161867 570960719 /nfs/dbraw/zinc/96/07/19/570960719.db2.gz FBVXEJFXMQEUFS-UHFFFAOYSA-N 1 1 387.484 1.365 50 10 GDCAMO C[NH+]1CCN(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 ZINC000005376075 530538672 /nfs/dbraw/zinc/53/86/72/530538672.db2.gz VPODGUXTOMEHFP-ACCUITESSA-N 1 1 380.495 1.150 50 10 GDCAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)CC[C@H]1N1CCOCC1 ZINC000014980865 210138542 /nfs/dbraw/zinc/13/85/42/210138542.db2.gz WGOAUQICISFOOQ-QFBILLFUSA-N 1 1 392.496 1.877 50 10 GDCAMO CC[NH+](CC)CCCNC=C1C(=O)NC(=S)N(c2cccc(OC)c2)C1=O ZINC000001840183 209341655 /nfs/dbraw/zinc/34/16/55/209341655.db2.gz RPDVLRAVPKWFMU-DTQAZKPQSA-N 1 1 390.509 1.648 50 10 GDCAMO CC[NH+](CC)CCNNC=C1C(=O)NC(=S)N(c2ccc(OC)cc2)C1=O ZINC000020391344 210332234 /nfs/dbraw/zinc/33/22/34/210332234.db2.gz UFYPHRHCQINGPU-NTCAYCPXSA-N 1 1 391.497 1.603 50 10 GDCAMO COc1ccc(N2CCN(C(=O)C[C@@H]3[NH2+][C@H]4CCCC[C@H]4NC3=O)CC2)cc1 ZINC000002358130 209358424 /nfs/dbraw/zinc/35/84/24/209358424.db2.gz WWOXUPFIGQWPHZ-OTWHNJEPSA-N 1 1 386.496 1.133 50 10 GDCAMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1ccc3c(c1)OCO3)cc2=O ZINC000103510645 570886083 /nfs/dbraw/zinc/88/60/83/570886083.db2.gz VRMCTMWHJXPCBI-UHFFFAOYSA-N 1 1 384.392 1.972 50 10 GDCAMO Cc1ccc(/C=C2\SC(=S)N(CC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000019618523 210275932 /nfs/dbraw/zinc/27/59/32/210275932.db2.gz LMQFXKSEARRSON-PTNGSMBKSA-N 1 1 375.519 1.970 50 10 GDCAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccccc1O)CC2)c1cccnc1 ZINC000020455361 210336214 /nfs/dbraw/zinc/33/62/14/210336214.db2.gz KUYHQCSZYPHAIW-UHFFFAOYSA-N 1 1 392.463 1.410 50 10 GDCAMO O=C1CN(c2ccc(C[NH2+]Cc3csc(-c4ncccn4)n3)cc2)CCN1 ZINC000058202619 136155028 /nfs/dbraw/zinc/15/50/28/136155028.db2.gz VTZKPKRJWGMKQV-UHFFFAOYSA-N 1 1 380.477 1.826 50 10 GDCAMO O=c1cc(CN2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)nc2ccccn12 ZINC000022913429 570334199 /nfs/dbraw/zinc/33/41/99/570334199.db2.gz RRDXOTFGWWGHQC-UHFFFAOYSA-N 1 1 394.431 1.447 50 10 GDCAMO C[NH+]1CCN(C(=O)CN2C(=O)/C(=C/c3ccccc3F)SC2=S)CC1 ZINC000019789661 210294495 /nfs/dbraw/zinc/29/44/95/210294495.db2.gz GYXJROJKYOULKZ-UVTDQMKNSA-N 1 1 379.482 1.801 50 10 GDCAMO C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1ccccc1O)CC2 ZINC000012041226 570600440 /nfs/dbraw/zinc/60/04/40/570600440.db2.gz IPJQEDUJNKVSNN-OAHLLOKOSA-N 1 1 392.463 1.928 50 10 GDCAMO COc1ccc(CN2C(=O)NC(=O)C(=CNCC[NH+]3CCCCC3)C2=O)cc1 ZINC000002273891 209353445 /nfs/dbraw/zinc/35/34/45/209353445.db2.gz AWJOSQWWSZQBQG-GHRIWEEISA-N 1 1 386.452 1.233 50 10 GDCAMO CC(C)C(=O)NCCc1nnc2n1CC[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000011783133 570582438 /nfs/dbraw/zinc/58/24/38/570582438.db2.gz AOYYEBKHGPRDPK-UHFFFAOYSA-N 1 1 384.528 1.717 50 10 GDCAMO CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000035392512 570348302 /nfs/dbraw/zinc/34/83/02/570348302.db2.gz ZXSIMIDUVCCQSU-FQEVSTJZSA-N 1 1 380.492 1.714 50 10 GDCAMO CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035392512 570348304 /nfs/dbraw/zinc/34/83/04/570348304.db2.gz ZXSIMIDUVCCQSU-FQEVSTJZSA-N 1 1 380.492 1.714 50 10 GDCAMO O=c1cc(CN2CCOCC2)nc(N2CCC[N@H+](Cc3ccccc3O)CC2)[nH]1 ZINC000035926894 570479659 /nfs/dbraw/zinc/47/96/59/570479659.db2.gz UMIIBVYFOVHILD-UHFFFAOYSA-N 1 1 399.495 1.020 50 10 GDCAMO COc1ccc(N2CCN(C(=O)C[C@@H]3[NH2+][C@@H]4CCCC[C@H]4NC3=O)CC2)cc1 ZINC000239235857 570824359 /nfs/dbraw/zinc/82/43/59/570824359.db2.gz WWOXUPFIGQWPHZ-QRVBRYPASA-N 1 1 386.496 1.133 50 10 GDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000002309166 209356130 /nfs/dbraw/zinc/35/61/30/209356130.db2.gz QTYALHVAYNBHHX-SDNWHVSQSA-N 1 1 380.901 1.903 50 10 GDCAMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC=C(c4cnn(C)c4)CC3)CC2)cc1 ZINC000035403467 570350695 /nfs/dbraw/zinc/35/06/95/570350695.db2.gz DQQUMWFYBWXJQL-UHFFFAOYSA-N 1 1 395.507 1.867 50 10 GDCAMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC=C(c4cnn(C)c4)CC3)CC2)cc1 ZINC000035403467 570350699 /nfs/dbraw/zinc/35/06/99/570350699.db2.gz DQQUMWFYBWXJQL-UHFFFAOYSA-N 1 1 395.507 1.867 50 10 GDCAMO C[NH+]1CCN(NC(=O)CN2C(=O)/C(=C/c3ccccc3F)SC2=S)CC1 ZINC000001286744 570954500 /nfs/dbraw/zinc/95/45/00/570954500.db2.gz GGIGTLOAIKCYQT-UVTDQMKNSA-N 1 1 394.497 1.306 50 10 GDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccccc2OC)C1=O ZINC000103888833 570889848 /nfs/dbraw/zinc/88/98/48/570889848.db2.gz KJCUVYHSSGTYET-SEYXRHQNSA-N 1 1 376.482 1.258 50 10 GDCAMO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1C ZINC000037176634 570844800 /nfs/dbraw/zinc/84/48/00/570844800.db2.gz ZUNSADGXFHRFFU-IAGOWNOFSA-N 1 1 397.541 1.481 50 10 GDCAMO CC[NH+](CC)CCCNC=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000001863965 212259311 /nfs/dbraw/zinc/25/93/11/212259311.db2.gz YAUAPAUAYLGVIR-FOWTUZBSSA-N 1 1 376.432 1.610 50 10 GDCAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCOc3cc(N(C)C)ccc32)C1 ZINC000095405727 535109869 /nfs/dbraw/zinc/10/98/69/535109869.db2.gz MPTDGQHJIVJYIU-SFHVURJKSA-N 1 1 390.528 1.424 50 10 GDCAMO CN(C)c1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1 ZINC000015001184 221326103 /nfs/dbraw/zinc/32/61/03/221326103.db2.gz DRIRPCZJSNQIOA-UHFFFAOYSA-N 1 1 396.539 1.861 50 10 GDCAMO O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=CNCC[NH+]1CCCCC1 ZINC000020024310 570235676 /nfs/dbraw/zinc/23/56/76/570235676.db2.gz YAFSSHQZRAVSDM-NTCAYCPXSA-N 1 1 376.457 1.533 50 10 GDCAMO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000037176636 570844870 /nfs/dbraw/zinc/84/48/70/570844870.db2.gz ZUNSADGXFHRFFU-IRXDYDNUSA-N 1 1 397.541 1.481 50 10 GDCAMO CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CC[N@H+](Cc1ccccc1O)CC2 ZINC000012212774 221167849 /nfs/dbraw/zinc/16/78/49/221167849.db2.gz HAPZIOYHZYVAAU-QGZVFWFLSA-N 1 1 393.513 1.288 50 10 GDCAMO O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CC[NH+](CCO)CC1 ZINC000013653944 221279531 /nfs/dbraw/zinc/27/95/31/221279531.db2.gz ZFVFWFBWOHKZDX-NTCAYCPXSA-N 1 1 391.518 1.024 50 10 GDCAMO COc1ccccc1/C=C1/SC(=S)N(CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000020625075 570273123 /nfs/dbraw/zinc/27/31/23/570273123.db2.gz CZJKLWOBLSMAKX-RVDMUPIBSA-N 1 1 391.518 1.670 50 10 GDCAMO COc1ccc(N2CCC([N@H+]3CC[C@@H](N4CCN(C)CC4)[C@H](O)C3)CC2)cc1 ZINC000019789871 570219122 /nfs/dbraw/zinc/21/91/22/570219122.db2.gz HYDJUARORQKLOF-FGZHOGPDSA-N 1 1 388.556 1.347 50 10 GDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccccc2OC)C1=O ZINC000019989886 570234257 /nfs/dbraw/zinc/23/42/57/570234257.db2.gz KJCUVYHSSGTYET-OUKQBFOZSA-N 1 1 376.482 1.258 50 10 GDCAMO CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[N@H+](Cc1ccccc1O)CC2 ZINC000012212777 221167635 /nfs/dbraw/zinc/16/76/35/221167635.db2.gz HAPZIOYHZYVAAU-KRWDZBQOSA-N 1 1 393.513 1.288 50 10 GDCAMO CCOc1ccc(N2C(=O)C(=CNCCC[NH+](C)C)C(=O)NC2=S)cc1 ZINC000020024638 570235679 /nfs/dbraw/zinc/23/56/79/570235679.db2.gz SCCFPBNQBGYWQO-NTCAYCPXSA-N 1 1 376.482 1.258 50 10 GDCAMO COc1ccc(N2C(=O)C(=CNCCCn3ccnc3)C(=O)NC2=S)cc1 ZINC000006420350 570896041 /nfs/dbraw/zinc/89/60/41/570896041.db2.gz MTPOMCDKWNDUJG-RVDMUPIBSA-N 1 1 385.449 1.203 50 10 GDCAMO CC[NH+](CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(C)C2=O)cc1 ZINC000002051858 212262380 /nfs/dbraw/zinc/26/23/80/212262380.db2.gz DWFJWQVBFOCJIC-NTCAYCPXSA-N 1 1 388.424 1.189 50 10 GDCAMO COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000019790485 570218887 /nfs/dbraw/zinc/21/88/87/570218887.db2.gz PEDVBHVKYJECBY-PTNGSMBKSA-N 1 1 391.518 1.670 50 10 GDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccc(OC)cc2)C1=O ZINC000002594127 570291872 /nfs/dbraw/zinc/29/18/72/570291872.db2.gz KNPAVDXQZCHIJD-NTCAYCPXSA-N 1 1 376.482 1.258 50 10 GDCAMO COc1cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(O)c1O ZINC000012507328 221199947 /nfs/dbraw/zinc/19/99/47/221199947.db2.gz CISXYJMLZZDTLA-KRWDZBQOSA-N 1 1 397.391 1.714 50 10 GDCAMO COc1cccc(N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=S)c1 ZINC000019997448 570234529 /nfs/dbraw/zinc/23/45/29/570234529.db2.gz MRRCNOVUNVLIOP-DTQAZKPQSA-N 1 1 388.493 1.402 50 10 GDCAMO