smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2ccc(CCC(=O)N[C@@H]3CC[C@@H](N4CCOCC4)[C@@H]3O)cc2[nH]1 ZINC000257245629 810831841 /nfs/dbraw/zinc/83/18/41/810831841.db2.gz IQJMAWUZNVJCCG-YVWKXTFCSA-N 0 1 372.469 1.144 40 0 FDABMN CC(C)NC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008297952 835748092 /nfs/dbraw/zinc/74/80/92/835748092.db2.gz MRKUWHPTCFLFJF-LESCRADOSA-N 0 1 369.469 1.886 40 0 biogenic,in-vitro FDABMN COc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)cc1 ZINC000077264324 205038428 /nfs/dbraw/zinc/03/84/28/205038428.db2.gz OFEOTWMEVMOHRN-QRVBRYPASA-N 0 1 356.422 1.343 40 0 biogenic,in-vitro FDABMN O=C(CN1CCCC1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000013265622 518655042 /nfs/dbraw/zinc/65/50/42/518655042.db2.gz VJFMXFXHNQGNIR-INIZCTEOSA-N 0 1 358.486 1.772 40 0 FDABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nn2cnnc2)cc1 ZINC000014406042 518690670 /nfs/dbraw/zinc/69/06/70/518690670.db2.gz XTJDVLMBDDZPTK-UHFFFAOYSA-N 0 1 357.395 1.771 40 0 FDABMN CCN1CCN([C@H](c2nnnn2C[C@H]2CCCO2)c2ccccc2)CC1 ZINC000019528054 518816523 /nfs/dbraw/zinc/81/65/23/518816523.db2.gz HAPKXBOUGPLNIF-MSOLQXFVSA-N 0 1 356.474 1.579 40 0 FDABMN CN(C)S(=O)(=O)N1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1 ZINC000019704605 518825880 /nfs/dbraw/zinc/82/58/80/518825880.db2.gz IHBQVGIPWILZER-GFCCVEGCSA-N 0 1 368.434 1.724 40 0 FDABMN CCN(CC)[C@@H](CN[C@@H]1CS(=O)(=O)C[C@@H]1O)c1ccccc1Cl ZINC000039982538 519638058 /nfs/dbraw/zinc/63/80/58/519638058.db2.gz CPLAMSYXXHLRLI-PMPSAXMXSA-N 0 1 360.907 1.470 40 0 FDABMN CCc1nn(CC(=O)NCCc2cnc[nH]2)c(=O)c2cc3ccsc3n21 ZINC000072334583 522218342 /nfs/dbraw/zinc/21/83/42/522218342.db2.gz DIVMTHYOIDKIHM-UHFFFAOYSA-N 0 1 370.438 1.355 40 0 FDABMN CCOc1cc([C@H](N)c2nnc(CCN3CCOCC3)[nH]2)ccc1OC ZINC000095534412 525107473 /nfs/dbraw/zinc/10/74/73/525107473.db2.gz NQWPZHMNXGCNIA-KRWDZBQOSA-N 0 1 361.446 1.135 40 0 FDABMN Cc1ccc(CN2CCN(C(=O)N(C)C)C[C@]3(CNC(=O)C3)C2)s1 ZINC000096035971 525122288 /nfs/dbraw/zinc/12/22/88/525122288.db2.gz XZYZIYSVCFLZJT-QGZVFWFLSA-N 0 1 350.488 1.362 40 0 FDABMN O=C1CO[C@@]2(CN1c1ccoc1)COCCN(CC1CCOCC1)C2 ZINC000096051413 525127762 /nfs/dbraw/zinc/12/77/62/525127762.db2.gz JICMWPPYUVPPII-SFHVURJKSA-N 0 1 350.415 1.140 40 0 FDABMN Cc1nc(CN2CCO[C@@H]3CN(C(=O)CN(C)C)CC[C@@H]3C2)cs1 ZINC000096082362 525130471 /nfs/dbraw/zinc/13/04/71/525130471.db2.gz AKNOHOAGEBHRDH-GDBMZVCRSA-N 0 1 352.504 1.062 40 0 FDABMN CN(Cc1ccco1)C[C@H]1CC[C@@]2(COCCN(c3ncccn3)C2)O1 ZINC000096100465 525132005 /nfs/dbraw/zinc/13/20/05/525132005.db2.gz RUROKPCKXOUDDN-IEBWSBKVSA-N 0 1 358.442 1.956 40 0 FDABMN Cn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccnc2)C[C@@H]1C(=O)[O-] ZINC000096198753 525148392 /nfs/dbraw/zinc/14/83/92/525148392.db2.gz YCWCCJBFWWJMDM-DOTOQJQBSA-N 0 1 356.426 1.610 40 0 FDABMN CO[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096216234 525152688 /nfs/dbraw/zinc/15/26/88/525152688.db2.gz HGWZOUOININVLX-CGTJXYLNSA-N 0 1 353.426 1.233 40 0 FDABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccncc2)s1 ZINC000224920900 537542577 /nfs/dbraw/zinc/54/25/77/537542577.db2.gz OSDCFKIYBPGZRC-UHFFFAOYSA-N 0 1 355.445 1.396 40 0 FDABMN Cc1ncsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC000306127317 537603066 /nfs/dbraw/zinc/60/30/66/537603066.db2.gz FVIBWSMRUQIWLJ-BZUAXINKSA-N 0 1 358.467 1.723 40 0 FDABMN Cc1cc(CN2CCC[C@]3(CN(c4ccc(=O)n(C)c4)C3=O)C2)n(C)n1 ZINC000585099628 551570630 /nfs/dbraw/zinc/57/06/30/551570630.db2.gz SPAYKORWGIJUEC-LJQANCHMSA-N 0 1 355.442 1.056 40 0 FDABMN COc1cc(CN(C)[C@@H]2COC[C@@H](OC)[C@H]2O)cc2c1OCCCO2 ZINC000585291982 551580368 /nfs/dbraw/zinc/58/03/68/551580368.db2.gz UQTQRLPXVNDCQK-XYPHTWIQSA-N 0 1 353.415 1.063 40 0 FDABMN COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(CC(C)C)C3)C2)c1 ZINC000604382658 553871129 /nfs/dbraw/zinc/87/11/29/553871129.db2.gz XRQRHPFROUASDS-GOSISDBHSA-N 0 1 373.497 1.562 40 0 biogenic,in-vitro FDABMN C[N@@H+](CC(=O)[O-])C1CCN(S(=O)(=O)c2cccc3c2OCCC3)CC1 ZINC000650230332 570877880 /nfs/dbraw/zinc/87/78/80/570877880.db2.gz DHRAWSPOORKZKW-UHFFFAOYSA-N 0 1 368.455 1.181 40 0 FDABMN COc1ccccc1CN1C[C@H]2OC[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 ZINC000306137860 571040911 /nfs/dbraw/zinc/04/09/11/571040911.db2.gz RIKDIRPUHQMRSO-GPMSIDNRSA-N 0 1 368.437 1.362 40 0 FDABMN Cc1ncc(CNC(=O)CN2CCCCCC2=O)c([C@H]2CCCN2C)n1 ZINC000257264170 571155640 /nfs/dbraw/zinc/15/56/40/571155640.db2.gz LTFBTTOMZJGQGM-MRXNPFEDSA-N 0 1 359.474 1.571 40 0 FDABMN CN1CCN(C[C@@]2(O)CCN(C(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000257301847 571159521 /nfs/dbraw/zinc/15/95/21/571159521.db2.gz SAFJVEDWPHNVAJ-FQEVSTJZSA-N 0 1 354.454 1.059 40 0 FDABMN Cn1cnc(C(=O)N2CC3(C2)C[C@H](COCc2cccnc2)CCN3C)c1 ZINC000306123175 571212821 /nfs/dbraw/zinc/21/28/21/571212821.db2.gz AGDVFBXSEWXTQM-MRXNPFEDSA-N 0 1 369.469 1.568 40 0 FDABMN O=c1c(=O)n(C2CCCC2)nc2n1C[C@]1(CCN(Cc3ccco3)C1)OC2 ZINC000306128882 203784353 /nfs/dbraw/zinc/78/43/53/203784353.db2.gz HNQDHZPGHFYDQR-LJQANCHMSA-N 0 1 372.425 1.288 40 0 FDABMN COc1ccc(CCCNS(=O)(=O)c2nnc(NC(C)=O)s2)cc1 ZINC000036217351 205009160 /nfs/dbraw/zinc/00/91/60/205009160.db2.gz YHSPPMVIKCNUKZ-UHFFFAOYSA-N 0 1 370.456 1.416 40 0 FDABMN COCC(=O)N1CCOC[C@]2(CC[C@H](CN(C)Cc3ccco3)O2)C1 ZINC000107195032 206017157 /nfs/dbraw/zinc/01/71/57/206017157.db2.gz JLRGWAHKJSTNDF-AEFFLSMTSA-N 0 1 352.431 1.134 40 0 FDABMN O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000136309318 206130000 /nfs/dbraw/zinc/13/00/00/206130000.db2.gz WYOAYKCLBQDJSK-RDGPPVDQSA-N 0 1 354.450 1.896 40 0 FDABMN CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000018063702 206324984 /nfs/dbraw/zinc/32/49/84/206324984.db2.gz JQMLBNDVXQERQP-HNNXBMFYSA-N 0 1 359.382 1.074 40 0 FDABMN C([C@@H]1CCOC1)N1CCc2nc(N3CCOCC3)nc(NC3CC3)c2C1 ZINC000096254153 132224140 /nfs/dbraw/zinc/22/41/40/132224140.db2.gz WJNAXRXYKBUMDR-AWEZNQCLSA-N 0 1 359.474 1.282 40 0 FDABMN Cc1nc2[n-]c(C(=O)NC(C)(C)C[N@@H+]3CCCC[C@@H]3C)nn2c(=O)c1C ZINC000019576953 263375008 /nfs/dbraw/zinc/37/50/08/263375008.db2.gz JYBIWPATUPVOEY-NSHDSACASA-N 0 1 360.462 1.417 40 0 FDABMN Cn1nc2c(c1C(=O)N1CCC(CCN3CCOCC3)CC1)CCCC2 ZINC000019657711 518823338 /nfs/dbraw/zinc/82/33/38/518823338.db2.gz IHVNZQFBBSGJLJ-UHFFFAOYSA-N 0 1 360.502 1.873 40 0 FDABMN Cc1nc([C@H]2CCCCN2C2CCOCC2)ncc1C(=O)N1CCOCC1 ZINC000019751822 518836243 /nfs/dbraw/zinc/83/62/43/518836243.db2.gz WNRVSKKCRRMDBE-GOSISDBHSA-N 0 1 374.485 1.963 40 0 FDABMN CCN1CCN(c2nc(COC)c(CCc3ccccc3)c(=O)[nH]2)CC1 ZINC000022448745 518899866 /nfs/dbraw/zinc/89/98/66/518899866.db2.gz OORYAEYEWLJENZ-UHFFFAOYSA-N 0 1 356.470 1.843 40 0 FDABMN O=C(NCCN1CCc2ccccc2C1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000023212125 518934441 /nfs/dbraw/zinc/93/44/41/518934441.db2.gz PONUMWZQSDCKKP-GOSISDBHSA-N 0 1 355.482 1.952 40 0 FDABMN O=C(NCCN1CCc2ccccc2C1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000023212127 518935639 /nfs/dbraw/zinc/93/56/39/518935639.db2.gz PONUMWZQSDCKKP-SFHVURJKSA-N 0 1 355.482 1.952 40 0 FDABMN CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000071279479 522108761 /nfs/dbraw/zinc/10/87/61/522108761.db2.gz DIGCUCQGFAZLBE-USXIJHARSA-N 0 1 358.438 1.491 40 0 FDABMN O=C1COC2(CCN(Cc3ccncc3)CC2)CN1Cc1ccccn1 ZINC000096049214 525128324 /nfs/dbraw/zinc/12/83/24/525128324.db2.gz MPFUOANLKWYSDA-UHFFFAOYSA-N 0 1 352.438 1.870 40 0 FDABMN Cc1ncsc1CN1C[C@@H]2C[C@H](CC(=O)N3CCOCC3)O[C@@H]2C1 ZINC000096216999 525151647 /nfs/dbraw/zinc/15/16/47/525151647.db2.gz OIDZQMWNYUKJRE-RRFJBIMHSA-N 0 1 351.472 1.290 40 0 FDABMN COc1cccc(CN2CC[C@]3(C2)C[C@H](NS(C)(=O)=O)CCO3)c1 ZINC000096217329 525152569 /nfs/dbraw/zinc/15/25/69/525152569.db2.gz YTIFEARTFKVZMQ-NVXWUHKLSA-N 0 1 354.472 1.368 40 0 FDABMN COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccsc1)CC2 ZINC000247900958 537157055 /nfs/dbraw/zinc/15/70/55/537157055.db2.gz VUJGWAIGNZMZPX-HNNXBMFYSA-N 0 1 358.529 1.868 40 0 FDABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(OC)cc2)s1 ZINC000223362904 537524015 /nfs/dbraw/zinc/52/40/15/537524015.db2.gz MMYRSPZSSKPZLK-VIFPVBQESA-N 0 1 370.456 1.935 40 0 FDABMN COc1cccc(CCCNS(=O)(=O)c2nnc(NC(C)=O)s2)c1 ZINC000223343179 537524174 /nfs/dbraw/zinc/52/41/74/537524174.db2.gz TYJISNVMLPRBDM-UHFFFAOYSA-N 0 1 370.456 1.416 40 0 FDABMN CC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccco2)s1 ZINC000224316645 537540670 /nfs/dbraw/zinc/54/06/70/537540670.db2.gz VPLXXFRTOWYSFT-UHFFFAOYSA-N 0 1 362.458 1.301 40 0 FDABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)COc2ccccc2)s1 ZINC000225139712 537544479 /nfs/dbraw/zinc/54/44/79/537544479.db2.gz PSDOEACVJUCTNJ-SECBINFHSA-N 0 1 356.429 1.242 40 0 FDABMN CN1Cc2nnc(C(=O)NC3CCC3)n2C[C@@]12CCN(Cc1ccco1)C2 ZINC000306144878 537605196 /nfs/dbraw/zinc/60/51/96/537605196.db2.gz ZRFZAXQUYBWEAR-IBGZPJMESA-N 0 1 370.457 1.244 40 0 FDABMN CN1Cc2cccc(-c3cnc4n3CCN(C(=O)[C@@H]3CCOC3)CC4)c2C1 ZINC000585111083 551573580 /nfs/dbraw/zinc/57/35/80/551573580.db2.gz CVLBUCOGHGEJOM-MRXNPFEDSA-N 0 1 366.465 1.917 40 0 FDABMN Cc1ccccc1N1CCC(O)(CN(C)[C@@]2(C)CCS(=O)(=O)C2)CC1 ZINC000585282550 551578920 /nfs/dbraw/zinc/57/89/20/551578920.db2.gz GQXGVZHAFIXUCT-SFHVURJKSA-N 0 1 366.527 1.835 40 0 FDABMN CC(C)CCN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 ZINC000604381833 553870307 /nfs/dbraw/zinc/87/03/07/553870307.db2.gz QUPKTSPYRHOXQK-LJQANCHMSA-N 0 1 357.498 1.944 40 0 biogenic,in-vitro FDABMN O=C(Nc1cccs1)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O ZINC000514289112 560033435 /nfs/dbraw/zinc/03/34/35/560033435.db2.gz UHBVGUNAUXDAMJ-GMXVVIOVSA-N 0 1 361.414 1.729 40 0 biogenic,in-vitro FDABMN CC(C)n1nc2n(c(=O)c1=O)C[C@]1(CCN(Cc3ccsc3)C1)OC2 ZINC000306139133 571040918 /nfs/dbraw/zinc/04/09/18/571040918.db2.gz SQBITEJPCVPQEQ-QGZVFWFLSA-N 0 1 362.455 1.222 40 0 FDABMN COc1ccccc1CN1CC[C@H](n2cc(C)c(=O)[nH]c2=O)[C@@](C)(O)C1 ZINC000257236379 571153166 /nfs/dbraw/zinc/15/31/66/571153166.db2.gz HBYGCPGTBIBHCD-LPHOPBHVSA-N 0 1 359.426 1.464 40 0 FDABMN CCc1nccn1CCC(=O)N1CC[C@@H](c2ncc(CNC(C)=O)[nH]2)C1 ZINC000257262790 571155707 /nfs/dbraw/zinc/15/57/07/571155707.db2.gz LMXNRQZOLNZPTO-CQSZACIVSA-N 0 1 358.446 1.211 40 0 FDABMN CC(=O)NCc1cnc([C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[nH]1 ZINC000257326228 571162196 /nfs/dbraw/zinc/16/21/96/571162196.db2.gz WWJUGZRMIFKGKJ-LLVKDONJSA-N 0 1 354.457 1.286 40 0 FDABMN Cc1nn(C)cc1S(=O)(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2 ZINC000257340516 571163306 /nfs/dbraw/zinc/16/33/06/571163306.db2.gz ZGMWDNHOKNHXEC-PQEBFOHHSA-N 0 1 352.504 1.754 40 0 FDABMN Cc1nn(C)cc1S(=O)(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257340516 571163308 /nfs/dbraw/zinc/16/33/08/571163308.db2.gz ZGMWDNHOKNHXEC-PQEBFOHHSA-N 0 1 352.504 1.754 40 0 FDABMN O=C(NC1CC1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299784 835765492 /nfs/dbraw/zinc/76/54/92/835765492.db2.gz BYHDCWATJHIPIB-IMJJTQAJSA-N 0 1 359.474 1.029 40 0 biogenic,in-vitro FDABMN CCN(CC)C(=O)[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1O ZINC000004742403 204160925 /nfs/dbraw/zinc/16/09/25/204160925.db2.gz RAWGDJHFEWGEEX-ULQDDVLXSA-N 0 1 362.470 1.852 40 0 FDABMN CN(C)CC(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC000096239654 205863228 /nfs/dbraw/zinc/86/32/28/205863228.db2.gz PZQWZEMRTZDIQG-MRXNPFEDSA-N 0 1 356.392 1.846 40 0 FDABMN O=C1Nc2ccccc2[C@]12NC[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000017781427 206323821 /nfs/dbraw/zinc/32/38/21/206323821.db2.gz APQDTZWXYXIMKA-XXHMAFKTSA-N 0 1 361.401 1.281 40 0 FDABMN Cn1cnnc1SCc1cc(O)c2c(=O)n(-c3ccccc3)nc-2[nH]1 ZINC000017073286 518775504 /nfs/dbraw/zinc/77/55/04/518775504.db2.gz ILDSKVDNBGWPBH-UHFFFAOYSA-N 0 1 354.395 1.428 40 0 FDABMN CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)CN1CCCC1 ZINC000019697297 518824399 /nfs/dbraw/zinc/82/43/99/518824399.db2.gz FKPNXGBHRYSRHH-UHFFFAOYSA-N 0 1 367.453 1.258 40 0 FDABMN CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(N3CCCOCC3)c2C1 ZINC000019711467 518828534 /nfs/dbraw/zinc/82/85/34/518828534.db2.gz ANYLCESDTQDWIR-MRXNPFEDSA-N 0 1 373.501 1.417 40 0 FDABMN 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/nfs/dbraw/zinc/10/49/64/571104964.db2.gz BRFHAVIPVWYOAA-MRXNPFEDSA-N 0 1 369.517 1.252 40 0 FDABMN Cc1nccc(C(=O)N2CCC(Cc3cnc(CN(C)C)cn3)CC2)n1 ZINC000257278873 571157444 /nfs/dbraw/zinc/15/74/44/571157444.db2.gz OEBBDYWMEZDMCX-UHFFFAOYSA-N 0 1 354.458 1.732 40 0 FDABMN N[C@@H](C(=O)N1CCC(c2ccc3c(n2)CCNC3=O)CC1)c1ccccc1 ZINC000257282512 571157800 /nfs/dbraw/zinc/15/78/00/571157800.db2.gz OTZUXJVODPSVHZ-LJQANCHMSA-N 0 1 364.449 1.774 40 0 FDABMN Cc1ncoc1C(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CN2C ZINC000585093917 571220426 /nfs/dbraw/zinc/22/04/26/571220426.db2.gz PGRUKGLNECWPIF-MRXNPFEDSA-N 0 1 356.426 1.741 40 0 FDABMN COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CO)cc1 ZINC000242750358 571358684 /nfs/dbraw/zinc/35/86/84/571358684.db2.gz ZNPNBRPOGYECEM-IKGGRYGDSA-N 0 1 367.854 1.978 40 0 FDABMN COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000041125005 209227272 /nfs/dbraw/zinc/22/72/72/209227272.db2.gz MIIOEPHGVODRSP-UHFFFAOYSA-N 0 1 363.351 1.442 40 0 FDABMN Cn1ccnc1CN1CCC[C@]2(C1)COCCN(Cc1ccccn1)C2 ZINC000096229312 209141214 /nfs/dbraw/zinc/14/12/14/209141214.db2.gz FMCWRROKFGDGAW-HXUWFJFHSA-N 0 1 355.486 1.930 40 0 FDABMN Cn1cc(N2C[C@@]3(CCN(Cc4ccc(F)cc4)C3)N(C)CC2=O)cn1 ZINC000096230553 209140086 /nfs/dbraw/zinc/14/00/86/209140086.db2.gz IIQXRYZFUHJDJW-IBGZPJMESA-N 0 1 357.433 1.482 40 0 FDABMN Cn1ccnc1CN1CCC2(C1)CCN(C(=O)Cc1cccnc1)CC2 ZINC000096157662 209126315 /nfs/dbraw/zinc/12/63/15/209126315.db2.gz JPARNGGZTVGKLY-UHFFFAOYSA-N 0 1 353.470 1.872 40 0 FDABMN C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)c1cccnc1 ZINC000096062028 209105172 /nfs/dbraw/zinc/10/51/72/209105172.db2.gz QHRBECZDBKYVAT-OAHLLOKOSA-N 0 1 354.458 1.243 40 0 FDABMN O=C([C@H]1Cn2ccnc2C2(CCN(Cc3ccoc3)CC2)O1)N1CCCC1 ZINC000096036817 209098346 /nfs/dbraw/zinc/09/83/46/209098346.db2.gz NQRUHNSEHZNCHQ-QGZVFWFLSA-N 0 1 370.453 1.989 40 0 FDABMN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1cccs1)C2 ZINC000096050183 132217489 /nfs/dbraw/zinc/21/74/89/132217489.db2.gz HBDJSMOUVWJIAR-IBGZPJMESA-N 0 1 370.478 1.983 40 0 FDABMN C[NH+]1CCN(C[C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)Nc2ccccc2)CC1 ZINC000022926970 518921344 /nfs/dbraw/zinc/92/13/44/518921344.db2.gz SWUOOCSEWWUPBO-CMKODMSKSA-N 0 1 371.529 1.766 40 0 biogenic,in-vitro FDABMN CCc1nccn1-c1cncc([C@H]2CCCN2C(=O)CN2CCCC2)n1 ZINC000072378801 522227412 /nfs/dbraw/zinc/22/74/12/522227412.db2.gz PZQLMTDIYAWKAJ-MRXNPFEDSA-N 0 1 354.458 1.984 40 0 FDABMN O=C(C[C@H]1C[N@@H+](CC2CCOCC2)Cc2ccnn21)NCc1ccccn1 ZINC000247888807 537156795 /nfs/dbraw/zinc/15/67/95/537156795.db2.gz XXNAWIDTHCFDAO-IBGZPJMESA-N 0 1 369.469 1.768 40 0 FDABMN O=C(C[C@H]1CN(CC2CCOCC2)Cc2ccnn21)NCc1ccccn1 ZINC000247888807 537156798 /nfs/dbraw/zinc/15/67/98/537156798.db2.gz XXNAWIDTHCFDAO-IBGZPJMESA-N 0 1 369.469 1.768 40 0 FDABMN CCn1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)cn1 ZINC000249687129 537240503 /nfs/dbraw/zinc/24/05/03/537240503.db2.gz HEWOWOKXSSJXCD-KZNAEPCWSA-N 0 1 355.442 1.175 40 0 FDABMN COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)C[NH3+])cc1 ZINC000218108044 537459683 /nfs/dbraw/zinc/45/96/83/537459683.db2.gz MHMRORRQEJMFBI-ROUUACIJSA-N 0 1 360.479 1.847 40 0 FDABMN O=C([O-])[C@H](Cc1cnc[nH]1)[NH2+]Cc1cnc(CCc2ccccc2)nc1 ZINC000218761690 537468070 /nfs/dbraw/zinc/46/80/70/537468070.db2.gz FLQPUOJUOHEWFS-KRWDZBQOSA-N 0 1 351.410 1.770 40 0 FDABMN CC(=O)Nc1nnc(S(=O)(=O)NCCOc2cc(C)ccc2C)s1 ZINC000224049353 537537894 /nfs/dbraw/zinc/53/78/94/537537894.db2.gz UDBTXGSAAJEUNJ-UHFFFAOYSA-N 0 1 370.456 1.471 40 0 FDABMN Cn1cnc(C(=O)N2CC3(C2)C[C@@H](COCc2ccccn2)CCN3C)c1 ZINC000575404696 550460541 /nfs/dbraw/zinc/46/05/41/550460541.db2.gz UPMRHPYYVKGSLV-INIZCTEOSA-N 0 1 369.469 1.568 40 0 FDABMN CN1CC[C@H](COCc2ccncc2)CC12CN(C(=O)[C@H]1CCOC1)C2 ZINC000575405068 550460707 /nfs/dbraw/zinc/46/07/07/550460707.db2.gz RHLRUJLLDBDLBP-ROUUACIJSA-N 0 1 359.470 1.558 40 0 FDABMN CC(=O)N1CC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@H](C(=O)[O-])C1 ZINC000585285199 551579167 /nfs/dbraw/zinc/57/91/67/551579167.db2.gz WMVGOZYWRILSFA-IRFCIJBXSA-N 0 1 374.481 1.940 40 0 FDABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(Cc3nccs3)CCN21 ZINC000253409268 560040232 /nfs/dbraw/zinc/04/02/32/560040232.db2.gz ZWQZFJCYLQUKAP-ICSRJNTNSA-N 0 1 372.538 1.896 40 0 biogenic,in-vitro FDABMN COCC(=O)N1CCN2[C@H](CN(Cc3ccc(OC)cc3)CC2(C)C)C1 ZINC000253395723 560040495 /nfs/dbraw/zinc/04/04/95/560040495.db2.gz CHKJRAUUTSJXQW-QGZVFWFLSA-N 0 1 361.486 1.449 40 0 biogenic,in-vitro FDABMN CCc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(N[C@H](C)CO)n1 ZINC000329012679 571134482 /nfs/dbraw/zinc/13/44/82/571134482.db2.gz MMAMFQMOJNXVNX-ZIAGYGMSSA-N 0 1 356.470 2.448 40 0 FDABMN C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC[C@H]21 ZINC000257201585 571149066 /nfs/dbraw/zinc/14/90/66/571149066.db2.gz AIFREDOEGHMOGV-IIAWOOMASA-N 0 1 354.410 1.448 40 0 FDABMN CC(=O)NCc1cnc([C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)[nH]1 ZINC000257207348 571149771 /nfs/dbraw/zinc/14/97/71/571149771.db2.gz BHIKNUVVCONRGN-GFCCVEGCSA-N 0 1 356.430 1.277 40 0 FDABMN COCC(=O)N1CC2(C[C@@]1(C)CO)CCN(Cc1cncs1)CC2 ZINC000257219572 571151618 /nfs/dbraw/zinc/15/16/18/571151618.db2.gz DHGWDNSPPHGCIZ-INIZCTEOSA-N 0 1 353.488 1.355 40 0 FDABMN COc1cccc(CN2CC[C@@](C)(O)[C@H](n3cc(C)c(=O)[nH]c3=O)C2)c1 ZINC000257263670 571155625 /nfs/dbraw/zinc/15/56/25/571155625.db2.gz LQYREUKPKPGEFK-VQIMIIECSA-N 0 1 359.426 1.464 40 0 FDABMN C[N@H+]1CCCC[C@]1(C)C(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257276093 571157163 /nfs/dbraw/zinc/15/71/63/571157163.db2.gz NSHYUPAXHFIQFY-IAGOWNOFSA-N 0 1 359.461 1.555 40 0 FDABMN Cc1cnn(CC(=O)N2CCCC[C@@H]2c2n[n-]cc2S(C)(=O)=O)c1 ZINC000257277904 571157413 /nfs/dbraw/zinc/15/74/13/571157413.db2.gz NZZBVEWYUCLQTL-GFCCVEGCSA-N 0 1 351.432 1.072 40 0 FDABMN Nc1ncnc2c1ncn2[C@H]1CCN(Cc2ncccc2F)CC[C@@H]1O ZINC000257284853 571158134 /nfs/dbraw/zinc/15/81/34/571158134.db2.gz PEOJOYIVAALTOE-KBPBESRZSA-N 0 1 357.393 1.141 40 0 FDABMN O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC[C@H](c2ccnc(=O)[nH]2)C1 ZINC000257286637 571158431 /nfs/dbraw/zinc/15/84/31/571158431.db2.gz PMHSLOFTACMHRR-ZDUSSCGKSA-N 0 1 350.382 1.987 40 0 FDABMN Cc1nc(C)c(C(=O)N2CC[C@@H](c3n[n-]cc3S(C)(=O)=O)C2)s1 ZINC000257292257 571158715 /nfs/dbraw/zinc/15/87/15/571158715.db2.gz QKROAZFWUYORKF-SNVBAGLBSA-N 0 1 354.457 1.516 40 0 FDABMN Nc1cc(CC[C@H]2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)ccn1 ZINC000257293232 571158932 /nfs/dbraw/zinc/15/89/32/571158932.db2.gz QOQHTJOXGZBORV-AWEZNQCLSA-N 0 1 352.398 1.409 40 0 FDABMN CC(=O)NCc1cn(-c2ccccc2C(=O)N[C@H]2CCC[N@H+](C)C2)cn1 ZINC000257299242 571159332 /nfs/dbraw/zinc/15/93/32/571159332.db2.gz RPGDXFJTAQDWCD-HNNXBMFYSA-N 0 1 355.442 1.332 40 0 FDABMN COc1cc(CCC(=O)N2CCC[C@H]2c2nccc(CN(C)C)n2)on1 ZINC000257307267 571160249 /nfs/dbraw/zinc/16/02/49/571160249.db2.gz SXYAAHNTNNVWMV-HNNXBMFYSA-N 0 1 359.430 1.831 40 0 FDABMN Cn1nccc1C(=O)N1CC2(C1)C[C@@H](COCc1ccccn1)CCN2C ZINC000306131089 571213950 /nfs/dbraw/zinc/21/39/50/571213950.db2.gz JWJWYZIEEDFYIP-INIZCTEOSA-N 0 1 369.469 1.568 40 0 FDABMN O=S(=O)(C1CCCC1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257330280 210000929 /nfs/dbraw/zinc/00/09/29/210000929.db2.gz XNRHFSGYMRAVMP-AWEZNQCLSA-N 0 1 352.447 1.427 40 0 FDABMN Cn1nccc1CN1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000257294067 223053758 /nfs/dbraw/zinc/05/37/58/223053758.db2.gz QSHAOUXYGAPAJT-MRXNPFEDSA-N 0 1 369.469 1.667 40 0 FDABMN COc1ccc(CN2CCN(C(=O)C(C)C)C[C@@]3(CC(=O)N(C)C3)C2)cc1 ZINC000097952749 209200981 /nfs/dbraw/zinc/20/09/81/209200981.db2.gz SHXGFACTWJZMQY-OAQYLSRUSA-N 0 1 373.497 1.844 40 0 FDABMN O=C([C@@H]1CCOC1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC000096239962 209142028 /nfs/dbraw/zinc/14/20/28/209142028.db2.gz ODPIRLSBNTUZFA-GOSISDBHSA-N 0 1 359.470 1.559 40 0 FDABMN Cc1cc(CN2C[C@@H]3COC[C@]3(C(=O)N(C)Cc3ccccn3)C2)no1 ZINC000096110084 209114921 /nfs/dbraw/zinc/11/49/21/209114921.db2.gz IOPAWVPBOUZQPA-DNVCBOLYSA-N 0 1 356.426 1.485 40 0 FDABMN C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)c1ccsc1 ZINC000096087592 209109606 /nfs/dbraw/zinc/10/96/06/209109606.db2.gz NDZQRQDKNKPMGX-AWEZNQCLSA-N 0 1 359.499 1.909 40 0 FDABMN O=C(NC1CC1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253968 207225915 /nfs/dbraw/zinc/22/59/15/207225915.db2.gz MJDMFAWRQALCBS-BMFZPTHFSA-N 0 1 352.442 1.329 40 0 biogenic,in-vitro FDABMN COc1cccc(-c2c3c(ccn(-c4nnc[nH]4)c3=O)nc3ncnn32)c1 ZINC000040398277 208251288 /nfs/dbraw/zinc/25/12/88/208251288.db2.gz FELMXTKZNBBXPB-UHFFFAOYSA-N 0 1 360.337 1.222 40 0 FDABMN Cc1ccc(C(=O)N2CCn3c(CN4CCN(C)CC4)cnc3[C@@H]2C)o1 ZINC000096062030 209104890 /nfs/dbraw/zinc/10/48/90/209104890.db2.gz FTRAZXGBGOEBDG-HNNXBMFYSA-N 0 1 357.458 1.749 40 0 FDABMN Cn1c2ccccc2c(O)c([C@@H]2NN=C3c4ccccc4N(C)C(=O)[C@H]32)c1=O ZINC000100361615 132232423 /nfs/dbraw/zinc/23/24/23/132232423.db2.gz SKVUSAKIFXNQAN-CRAIPNDOSA-N 0 1 374.400 1.885 40 0 FDABMN CCCc1nc(SCc2nnc3n2c2ccccc2c(=O)n3C)n[nH]1 ZINC000011275340 518556300 /nfs/dbraw/zinc/55/63/00/518556300.db2.gz GPDSIFGKIIHVRI-UHFFFAOYSA-N 0 1 355.427 1.944 40 0 FDABMN CCCc1n[nH]c(SCc2nnc3n2c2ccccc2c(=O)n3C)n1 ZINC000011275340 518556303 /nfs/dbraw/zinc/55/63/03/518556303.db2.gz GPDSIFGKIIHVRI-UHFFFAOYSA-N 0 1 355.427 1.944 40 0 FDABMN CN(C)c1ncc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N(C)C)cn1 ZINC000012203612 518596344 /nfs/dbraw/zinc/59/63/44/518596344.db2.gz RXOMPKMYQDINIA-AWEZNQCLSA-N 0 1 357.414 1.304 40 0 FDABMN COCCN(C)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1 ZINC000013996850 518670936 /nfs/dbraw/zinc/67/09/36/518670936.db2.gz OFQRUJIMKVDVFI-UHFFFAOYSA-N 0 1 362.458 1.119 40 0 FDABMN Cc1nn2c(nnc3c(=O)n(-c4nnc[nH]4)ccc32)c1-c1ccc(F)cc1 ZINC000019962725 518841501 /nfs/dbraw/zinc/84/15/01/518841501.db2.gz LDSFKFHBWOMWKC-UHFFFAOYSA-N 0 1 362.328 1.661 40 0 FDABMN CCN(CC)[C@@H](CN[C@H]1CS(=O)(=O)C[C@@H]1O)c1ccccc1Cl ZINC000039982541 519638145 /nfs/dbraw/zinc/63/81/45/519638145.db2.gz CPLAMSYXXHLRLI-JYJNAYRXSA-N 0 1 360.907 1.470 40 0 FDABMN 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40 0 FDABMN O=C(c1cc([C@H]2CCCCN2C(=O)c2cccnc2)n[nH]1)N1CCOCC1 ZINC000072380548 522228643 /nfs/dbraw/zinc/22/86/43/522228643.db2.gz ZZFUJRRRPRZUPU-QGZVFWFLSA-N 0 1 369.425 1.645 40 0 FDABMN CN1CCn2c(nnc2[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1 ZINC000072374012 522229693 /nfs/dbraw/zinc/22/96/93/522229693.db2.gz HKBWHJALFMRMPW-HNNXBMFYSA-N 0 1 361.471 1.639 40 0 FDABMN C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21C=C[C@](O)([C@@H]3O5)[C@H](C(=O)[O-])C1 ZINC000253505048 523976782 /nfs/dbraw/zinc/97/67/82/523976782.db2.gz PHVHFUCWRHIUOT-HTQFWGHXSA-N 0 1 355.390 1.043 40 0 biogenic,in-vitro FDABMN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](O)[C@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000257314952 526487629 /nfs/dbraw/zinc/48/76/29/526487629.db2.gz UZGTYASBSYIXPH-OWSLCNJRSA-N 0 1 362.470 1.822 40 0 FDABMN CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C[C@H](CO)C1 ZINC000257245203 526628373 /nfs/dbraw/zinc/62/83/73/526628373.db2.gz IOMWHPZUOCISBW-HNNXBMFYSA-N 0 1 372.421 1.917 40 0 FDABMN 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ZINC000019594502 220279230 /nfs/dbraw/zinc/27/92/30/220279230.db2.gz MUXIRITXUZVZPM-UHFFFAOYSA-N 0 1 367.409 1.567 40 0 FDABMN COCc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)o1 ZINC000019594502 220279236 /nfs/dbraw/zinc/27/92/36/220279236.db2.gz MUXIRITXUZVZPM-UHFFFAOYSA-N 0 1 367.409 1.567 40 0 FDABMN Cc1nc([C@@H]2CCCCN2C2CCOCC2)ncc1C(=O)N1CCOCC1 ZINC000019751820 220293416 /nfs/dbraw/zinc/29/34/16/220293416.db2.gz WNRVSKKCRRMDBE-SFHVURJKSA-N 0 1 374.485 1.963 40 0 FDABMN COc1cccc(CN2CC[C@]3(C2)C[C@@H](NS(C)(=O)=O)CCO3)c1 ZINC000096107878 222026998 /nfs/dbraw/zinc/02/69/98/222026998.db2.gz YTIFEARTFKVZMQ-DOTOQJQBSA-N 0 1 354.472 1.368 40 0 FDABMN CO[C@H]1CCN(C(=O)c2ccccn2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109466 222027982 /nfs/dbraw/zinc/02/79/82/222027982.db2.gz HNCCRKXKWAVBAX-UHOSZYNNSA-N 0 1 352.438 1.838 40 0 FDABMN O=C([C@@H]1CCCO1)N1CCC2(CC1)COCCN(Cc1cccnc1)C2 ZINC000096239925 222095196 /nfs/dbraw/zinc/09/51/96/222095196.db2.gz GDVBYBDYOWLJRI-SFHVURJKSA-N 0 1 359.470 1.702 40 0 FDABMN CO[C@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096207957 222078447 /nfs/dbraw/zinc/07/84/47/222078447.db2.gz UIQLKBBKQPAMHC-KSZLIROESA-N 0 1 355.442 1.177 40 0 FDABMN CO[C@@H]1CCN(C(=O)CN(C)C)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096218211 222081699 /nfs/dbraw/zinc/08/16/99/222081699.db2.gz LDTLJQRBCCULOR-ARFHVFGLSA-N 0 1 352.504 1.061 40 0 FDABMN Cc1cccc(CN2Cc3cncn3C[C@@H](COCC(=O)N(C)C)C2)c1 ZINC000096217324 222082170 /nfs/dbraw/zinc/08/21/70/222082170.db2.gz PFJBAJKEFXHNQW-SFHVURJKSA-N 0 1 356.470 1.928 40 0 FDABMN CO[C@@H]1CCN(C(=O)c2ccncn2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096219979 222084391 /nfs/dbraw/zinc/08/43/91/222084391.db2.gz YPLCJLOUCKKRPM-CGTJXYLNSA-N 0 1 353.426 1.233 40 0 FDABMN Cc1cccc(CN2C[C@H](C(=O)Nc3cnccn3)C[C@H]3OCC[C@H]32)n1 ZINC000097953419 222217789 /nfs/dbraw/zinc/21/77/89/222217789.db2.gz KTWVXLXKFRUHLG-DJIMGWMZSA-N 0 1 353.426 1.798 40 0 FDABMN CCOC(=O)C1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000006326309 518369109 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O=C(c1cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n[nH]1)N1CCOCC1 ZINC000072380529 522229475 /nfs/dbraw/zinc/22/94/75/522229475.db2.gz IMEOFTCLCSNRHN-MRXNPFEDSA-N 0 1 368.437 1.902 40 0 FDABMN COc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)cc1 ZINC000077264213 523278977 /nfs/dbraw/zinc/27/89/77/523278977.db2.gz PVMORAWBOCWSRO-INMHGKMJSA-N 0 1 362.451 1.405 40 0 biogenic,in-vitro FDABMN Nc1cc(CC[C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)ccn1 ZINC000257272244 534735495 /nfs/dbraw/zinc/73/54/95/534735495.db2.gz NBPIUIFCAGSJGL-OAHLLOKOSA-N 0 1 353.488 1.960 40 0 FDABMN O=C(NCc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2cccnc2)C1 ZINC000096038944 525125615 /nfs/dbraw/zinc/12/56/15/525125615.db2.gz QQTJPJYXKRESRS-GUDVDZBRSA-N 0 1 352.438 1.772 40 0 FDABMN CC(=O)NCc1cnc([C@@H]2CCN(C(=O)CCOc3ccccc3)C2)[nH]1 ZINC000257317437 526816229 /nfs/dbraw/zinc/81/62/29/526816229.db2.gz VJTCRMKNFKRIBX-OAHLLOKOSA-N 0 1 356.426 1.831 40 0 FDABMN O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12)c1cnccn1 ZINC000247349643 537111969 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40 0 FDABMN COc1ncc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000257342094 223072105 /nfs/dbraw/zinc/07/21/05/223072105.db2.gz ZNBVLPMSBJHJPA-OAHLLOKOSA-N 0 1 351.414 1.841 40 0 FDABMN Cc1ncsc1CN1C[C@H]2OC[C@H](CNC(=O)c3cnccn3)[C@H]2C1 ZINC000306130808 223109012 /nfs/dbraw/zinc/10/90/12/223109012.db2.gz JQANFGNCBFRQHD-GZBFAFLISA-N 0 1 359.455 1.118 40 0 FDABMN Cc1ncsc1CN1C[C@H]2OC[C@H](CNC(=O)c3cccnc3)[C@H]2C1 ZINC000306142459 223113081 /nfs/dbraw/zinc/11/30/81/223113081.db2.gz WZQNIQCDWUDFPX-ARFHVFGLSA-N 0 1 358.467 1.723 40 0 FDABMN CCN1c2ccccc2[C@@]2(N=C(Nc3ccc(F)cc3)NC(=N)N2)C1=O ZINC000019330809 220250860 /nfs/dbraw/zinc/25/08/60/220250860.db2.gz JROVQNRKWSCTSE-GOSISDBHSA-N 0 1 352.373 1.731 40 0 FDABMN CCN1CCN([C@H](c2nnnn2C[C@@H]2CCCO2)c2ccccc2)CC1 ZINC000019528052 220267747 /nfs/dbraw/zinc/26/77/47/220267747.db2.gz HAPKXBOUGPLNIF-ROUUACIJSA-N 0 1 356.474 1.579 40 0 FDABMN COc1cc(C(=O)Nc2ccccc2CN2CCN(C)CC2)nc(OC)n1 ZINC000019590071 220277952 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FDABMN Cc1nc(CN2CC[C@]3(CCCN(C(=O)CN(C)C)C3)C2=O)cs1 ZINC000096224394 222086678 /nfs/dbraw/zinc/08/66/78/222086678.db2.gz LPFPDMLZBQWTJH-KRWDZBQOSA-N 0 1 350.488 1.354 40 0 FDABMN CC(=O)CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000006023981 518360936 /nfs/dbraw/zinc/36/09/36/518360936.db2.gz RXFSAARTXLCYCI-UHFFFAOYSA-N 0 1 362.411 1.812 40 0 FDABMN [NH3+][C@@H](CC(=O)[O-])c1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000008701477 518483280 /nfs/dbraw/zinc/48/32/80/518483280.db2.gz NXEFIRFPRVLDOA-NSHDSACASA-N 0 1 356.791 1.405 40 0 FDABMN Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)N2CC(=O)NCCc1ccccc1 ZINC000012114560 518587341 /nfs/dbraw/zinc/58/73/41/518587341.db2.gz AZVLPYPLPGOHHN-HTZLVSCSSA-N 0 1 368.481 1.593 40 0 FDABMN CN(C)c1ncc(C[N@@H+]2CCc3nc4cc(C5CC5)[n-]n4c(=O)c3C2)cn1 ZINC000012325854 518603816 /nfs/dbraw/zinc/60/38/16/518603816.db2.gz AJYSUKYLUJDPRG-UHFFFAOYSA-N 0 1 365.441 1.727 40 0 FDABMN CN(C)c1ncc(C[N@H+]2CCc3nc4cc(C5CC5)[n-]n4c(=O)c3C2)cn1 ZINC000012325854 518603825 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FDABMN O=C(c1[nH]nc2ccccc21)N1CCOC[C@@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257279722 526914320 /nfs/dbraw/zinc/91/43/20/526914320.db2.gz OHXDHYLPYAABBX-LBPRGKRZSA-N 0 1 353.382 1.390 40 0 FDABMN CC(C)CCN1C[C@H]2[C@H](C1)S(=O)(=O)CC[C@@H]2NC(=O)c1ccco1 ZINC000306129421 527729051 /nfs/dbraw/zinc/72/90/51/527729051.db2.gz ICKFRANWKBPKRI-YCPHGPKFSA-N 0 1 354.472 1.543 40 0 FDABMN O=C([O-])[C@@H](Cc1cnc[nH]1)[NH2+]Cc1cnc(NCc2ccccc2)nc1 ZINC000218761026 537467536 /nfs/dbraw/zinc/46/75/36/537467536.db2.gz SJQURSZAILLOTF-MRXNPFEDSA-N 0 1 352.398 1.597 40 0 FDABMN O=C(c1[nH]ncc1Cl)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000585276780 551577511 /nfs/dbraw/zinc/57/75/11/551577511.db2.gz IWGGMVUUYHCVIR-INIZCTEOSA-N 0 1 353.781 1.648 40 0 FDABMN CN1C[C@@H](COCc2cccnc2)CC12CN(C(=O)c1ccncc1)C2 ZINC000585093882 571220025 /nfs/dbraw/zinc/22/00/25/571220025.db2.gz MNQXLSHETPOYIS-KRWDZBQOSA-N 0 1 352.438 1.840 40 0 FDABMN O=C(NC[C@H]1OC[C@@H](NCc2cccs2)[C@@H]1O)c1ccc(F)cc1 ZINC000077264470 205038523 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