smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1NS(=O)(=O)Cc1ccccc1 ZINC000004897577 204173466 /nfs/dbraw/zinc/17/34/66/204173466.db2.gz IZZAWLWAMFDOBV-LXTVHRRPSA-N 0 1 357.428 0.997 40 0 FCABMN C[N@H+]1C[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CCN2C[C@H](C(=O)[O-])C1 ZINC000107768744 206023084 /nfs/dbraw/zinc/02/30/84/206023084.db2.gz ZOGJLSPFHMPGFU-HZPDHXFCSA-N 0 1 356.426 0.941 40 0 FCABMN CC[C@H](CN1CCN(C)CC1)NC(=O)C=C1NNC(=O)[C@@H]2C=CC=C[C@H]12 ZINC000100767687 206225176 /nfs/dbraw/zinc/22/51/76/206225176.db2.gz KTADHUSRTUUTIQ-OWCLPIDISA-N 0 1 359.474 0.363 40 0 FCABMN COc1ccc(S(=O)(=O)Nc2ncc([C@@H]([NH3+])CC(=O)[O-])cn2)cc1 ZINC000008701479 206247543 /nfs/dbraw/zinc/24/75/43/206247543.db2.gz ZQFJZXGMAIMJIN-LBPRGKRZSA-N 0 1 352.372 0.761 40 0 FCABMN CC(=O)Nc1ccc(N2C(=O)C[C@H](NCCN3CCOCC3)C2=O)cc1 ZINC000019929954 206328603 /nfs/dbraw/zinc/32/86/03/206328603.db2.gz LEZLTMJBJTUTPB-INIZCTEOSA-N 0 1 360.414 0.199 40 0 FCABMN O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCCC1)c1cccc(F)c1 ZINC000020465692 206332485 /nfs/dbraw/zinc/33/24/85/206332485.db2.gz CPHKNQPMJRJHCF-LTIDMASMSA-N 0 1 352.406 0.531 40 0 biogenic,in-vitro FCABMN COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000020529202 206338154 /nfs/dbraw/zinc/33/81/54/206338154.db2.gz ZMYPDQZMECCPSS-KRWDZBQOSA-N 0 1 374.441 0.724 40 0 FCABMN O=C(c1cnccn1)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224320883 132283053 /nfs/dbraw/zinc/28/30/53/132283053.db2.gz ZSAIZNYYKMHFPP-UHFFFAOYSA-N 0 1 355.402 0.066 40 0 FCABMN Cn1cc(CN2C[C@@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@H]3C2)cn1 ZINC000306126891 488893919 /nfs/dbraw/zinc/89/39/19/488893919.db2.gz FIEHABCDONXBBN-CABCVRRESA-N 0 1 356.430 0.168 40 0 FCABMN CC1=CC(=C2C(=O)[N-]C(=S)NC2=O)C=C(C)N1CCN1CC[NH2+]CC1 ZINC000019681627 487604895 /nfs/dbraw/zinc/60/48/95/487604895.db2.gz VGBFQYSPZBQPBV-UHFFFAOYSA-N 0 1 361.471 0.683 40 0 FCABMN CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nnc2n1CCN(C)CC2 ZINC000019752472 487607066 /nfs/dbraw/zinc/60/70/66/487607066.db2.gz NJEXQSBDYRYZJT-ZDUSSCGKSA-N 0 1 356.496 0.490 40 0 FCABMN O=C(c1cc([C@@H]2CCCCN2C(=O)c2ccn[nH]2)[nH]n1)N1CCOCC1 ZINC000072380515 488379755 /nfs/dbraw/zinc/37/97/55/488379755.db2.gz URKNVRKNCCIKRM-HNNXBMFYSA-N 0 1 358.402 0.973 40 0 FCABMN Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(C4CCCC4)C3)C2=O)o1 ZINC000225397343 488449948 /nfs/dbraw/zinc/44/99/48/488449948.db2.gz LMWOBZJSGMHJFQ-WBVHZDCISA-N 0 1 373.453 0.889 40 0 biogenic,in-vitro FCABMN Cn1cnc(C(=O)N2CCC[C@@]3(C2)COCCN(Cc2c[nH]nn2)C3)c1 ZINC000096076448 488488849 /nfs/dbraw/zinc/48/88/49/488488849.db2.gz XUGXWKVIJBXRAT-QGZVFWFLSA-N 0 1 359.434 0.293 40 0 FCABMN CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(C)s3)C[C@@H]2N1S(C)(=O)=O ZINC000096182835 488490339 /nfs/dbraw/zinc/49/03/39/488490339.db2.gz BDRXNAURJWBJCQ-BNOWGMLFSA-N 0 1 357.501 0.637 40 0 FCABMN COc1cc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)ccc1OCC(N)=O ZINC000257207112 488523016 /nfs/dbraw/zinc/52/30/16/488523016.db2.gz BGJSAVJTKHFHFU-WMZOPIPTSA-N 0 1 350.415 0.675 40 0 FCABMN COCC(=O)N1CC2(C[C@@]1(C)CO)CCN(Cc1[nH]cnc1C)CC2 ZINC000257219634 488523393 /nfs/dbraw/zinc/52/33/93/488523393.db2.gz DHMYKLHOCGQNRC-KRWDZBQOSA-N 0 1 350.463 0.930 40 0 FCABMN CS(=O)(=O)N1CCC(N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257212388 488523478 /nfs/dbraw/zinc/52/34/78/488523478.db2.gz CDFHTHHLBYIQKE-HZPDHXFCSA-N 0 1 358.435 0.674 40 0 FCABMN O=C(CN1CCCC1)N1C[C@@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@H]2C1 ZINC000257245143 488524199 /nfs/dbraw/zinc/52/41/99/488524199.db2.gz IOFOVBRULLUHGH-IRXDYDNUSA-N 0 1 361.417 0.860 40 0 FCABMN O=C(c1ccc2n[nH]nc2c1)N1CCC[C@@](O)(CN2CCOCC2)CC1 ZINC000257314063 488525985 /nfs/dbraw/zinc/52/59/85/488525985.db2.gz UVDXBGJZTCMQEF-SFHVURJKSA-N 0 1 359.430 0.647 40 0 FCABMN CCN1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccc(C(=O)OC)c3)C2)C1 ZINC000514290112 490768432 /nfs/dbraw/zinc/76/84/32/490768432.db2.gz TWVWQOHQDPNJIF-DLBZAZTESA-N 0 1 373.453 0.439 40 0 biogenic,in-vitro FCABMN O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(CC3CC3)C2)C1 ZINC000514288815 490768568 /nfs/dbraw/zinc/76/85/68/490768568.db2.gz FSHZGTGYJVMBNV-RTBURBONSA-N 0 1 355.482 0.971 40 0 biogenic,in-vitro FCABMN O=S(=O)(NCCN[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000575421089 491553538 /nfs/dbraw/zinc/55/35/38/491553538.db2.gz HSQMASNWYWVCAZ-HNNXBMFYSA-N 0 1 368.480 0.895 40 0 FCABMN NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2cnc[nH]2)CCO1 ZINC000585285115 491721291 /nfs/dbraw/zinc/72/12/91/491721291.db2.gz WBYXASYUNRLBRQ-QGZVFWFLSA-N 0 1 362.361 0.714 40 0 FCABMN CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000585289258 491721799 /nfs/dbraw/zinc/72/17/99/491721799.db2.gz GWDHWLOGJVKIER-JLAAOLFFSA-N 0 1 362.474 0.896 40 0 FCABMN O=C(NCCN1CCCOCC1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000187171370 209206253 /nfs/dbraw/zinc/20/62/53/209206253.db2.gz AYLCYPAKUZIWPG-HNNXBMFYSA-N 0 1 364.421 0.953 40 0 FCABMN [NH3+][C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12)c1ccccc1 ZINC000003830390 204111363 /nfs/dbraw/zinc/11/13/63/204111363.db2.gz QYIYFLOTGYLRGG-IMSIIYSGSA-N 0 1 367.814 0.621 40 0 world FCABMN C[C@H](O)CNC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 ZINC000006294997 204242990 /nfs/dbraw/zinc/24/29/90/204242990.db2.gz UBFMFZPUWSJVFT-JTQLQIEISA-N 0 1 359.411 0.698 40 0 FCABMN CCS(=O)(=O)NC[C@@H]1Cn2nccc2CN(CC2CCOCC2)C1 ZINC000306127883 488893414 /nfs/dbraw/zinc/89/34/14/488893414.db2.gz GJVIKGOUDCZKTA-HNNXBMFYSA-N 0 1 356.492 0.681 40 0 FCABMN CSc1nc(N)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(=O)[nH]1 ZINC000018168328 487600576 /nfs/dbraw/zinc/60/05/76/487600576.db2.gz GUOFVTNLTGQJBO-UHFFFAOYSA-N 0 1 369.428 0.833 40 0 FCABMN CC(=O)N1CC[C@H](c2nn(CCNC(=O)CN(C)C)c3ncccc23)C1 ZINC000019016537 487602636 /nfs/dbraw/zinc/60/26/36/487602636.db2.gz BZRFREPAVOPUJJ-AWEZNQCLSA-N 0 1 358.446 0.445 40 0 FCABMN Cn1cc(CN2CCC[C@@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cn1 ZINC000072380517 488379819 /nfs/dbraw/zinc/37/98/19/488379819.db2.gz GRSBQEITNADWLY-OAHLLOKOSA-N 0 1 358.446 0.995 40 0 FCABMN CCS(=O)(=O)N1CCC(C(=O)NCCSc2nnc(C)[nH]2)CC1 ZINC000222611118 488446969 /nfs/dbraw/zinc/44/69/69/488446969.db2.gz KGBOUSGSIMONQO-UHFFFAOYSA-N 0 1 361.493 0.383 40 0 FCABMN CS(=O)(=O)NC[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2 ZINC000096108319 488488912 /nfs/dbraw/zinc/48/89/12/488488912.db2.gz TYQIMWRSLOMFLR-CJNGLKHVSA-N 0 1 354.428 0.413 40 0 FCABMN CN(C)CC(=O)N1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1 ZINC000096263859 488491153 /nfs/dbraw/zinc/49/11/53/488491153.db2.gz TXGCZLZKYQGTTL-STQMWFEESA-N 0 1 353.444 0.279 40 0 FCABMN COCC[N@H+]1C[C@@H]2CN(C(=O)c3ccco3)CCN2C[C@@H](C(=O)[O-])C1 ZINC000247908184 488491262 /nfs/dbraw/zinc/49/12/62/488491262.db2.gz XULLORJRGLEDQE-UONOGXRCSA-N 0 1 351.403 0.069 40 0 FCABMN O=C([O-])c1ccccc1C[N@@H+]1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000257206059 488523182 /nfs/dbraw/zinc/52/31/82/488523182.db2.gz BBQABWVHZWPSQP-ZACQAIPSSA-N 0 1 350.415 0.013 40 0 FCABMN Cn1cnc(S(=O)(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)c1 ZINC000257290801 488525136 /nfs/dbraw/zinc/52/51/36/488525136.db2.gz QEJGLNPZFLAEHB-ZDUSSCGKSA-N 0 1 351.432 0.420 40 0 FCABMN COc1ncccc1C(=O)N1CC[C@@H](c2n[n-]cc2S(C)(=O)=O)C1 ZINC000257307259 488525216 /nfs/dbraw/zinc/52/52/16/488525216.db2.gz SXWWZJAUZNANJZ-SNVBAGLBSA-N 0 1 350.400 0.847 40 0 FCABMN CCc1ccc(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575422858 491553413 /nfs/dbraw/zinc/55/34/13/491553413.db2.gz WZLJFPQPCXDUCZ-OAHLLOKOSA-N 0 1 360.501 0.694 40 0 FCABMN COc1ccc(C(=O)CNCCN[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000575424632 491553690 /nfs/dbraw/zinc/55/36/90/491553690.db2.gz UVBKUIPGMJZACV-ZDUSSCGKSA-N 0 1 356.444 0.253 40 0 FCABMN O=C(C[C@@H]1CN(C(=O)c2ccn[nH]2)Cc2ccnn21)NCC1CCOCC1 ZINC000585095136 491719362 /nfs/dbraw/zinc/71/93/62/491719362.db2.gz CTWMDICXLPOMKT-OAHLLOKOSA-N 0 1 372.429 0.736 40 0 FCABMN O=C(Nc1nccs1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298382 665297284 /nfs/dbraw/zinc/29/72/84/665297284.db2.gz SFPGEGRAOLONHQ-YUTCNCBUSA-N 0 1 362.459 0.619 40 0 biogenic,in-vitro FCABMN [NH3+][C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@@H]12)c1ccccc1 ZINC000004536411 204144864 /nfs/dbraw/zinc/14/48/64/204144864.db2.gz QYIYFLOTGYLRGG-BHDSKKPTSA-N 0 1 367.814 0.621 40 0 FCABMN C[C@H](CO)NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 ZINC000006420505 204248494 /nfs/dbraw/zinc/24/84/94/204248494.db2.gz AEJMUYKDTAMAQT-SNVBAGLBSA-N 0 1 359.411 0.698 40 0 FCABMN CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCCN3CCOCC3)C2=O)cc1 ZINC000100619740 206223986 /nfs/dbraw/zinc/22/39/86/206223986.db2.gz LEZLTMJBJTUTPB-MRXNPFEDSA-N 0 1 360.414 0.199 40 0 FCABMN CN1c2ccc(Br)cc2C(=C2C(=O)NC(=O)NC2=O)C1=O ZINC000005510300 206239479 /nfs/dbraw/zinc/23/94/79/206239479.db2.gz JUCUXKJUIFTGET-UHFFFAOYSA-N 0 1 350.128 0.545 40 0 FCABMN COCC(=O)N1CC2(C[C@@]1(C)CO)CCN(Cc1cncn1C)CC2 ZINC000257308442 206621182 /nfs/dbraw/zinc/62/11/82/206621182.db2.gz TWRVCQAMKZACQH-KRWDZBQOSA-N 0 1 350.463 0.632 40 0 FCABMN Cn1c2c(nc1C(=O)N1CCCN(C)CC1)CN(c1ncccn1)CC2 ZINC000096264877 132224545 /nfs/dbraw/zinc/22/45/45/132224545.db2.gz FYMLBNQTUWMCHN-UHFFFAOYSA-N 0 1 355.446 0.551 40 0 FCABMN CN1CCN(C[C@@H]2OC[C@H](NC(=O)Nc3cccc(Cl)c3)[C@H]2O)CC1 ZINC000514288616 263775469 /nfs/dbraw/zinc/77/54/69/263775469.db2.gz JDQZIHQQUMFLTR-HRCADAONSA-N 0 1 368.865 0.837 40 0 biogenic,in-vitro FCABMN CCn1nc2n(c(=O)c1=O)C[C@H]1CCN(Cc3cccnc3OC)C[C@H]21 ZINC000306140292 488894500 /nfs/dbraw/zinc/89/45/00/488894500.db2.gz UPABOSOATSDCAJ-OCCSQVGLSA-N 0 1 357.414 0.448 40 0 FCABMN CCn1cc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cnccn4)[C@H]3C2)cn1 ZINC000306131031 488894658 /nfs/dbraw/zinc/89/46/58/488894658.db2.gz JVDLSIZXVNOOEL-BFYDXBDKSA-N 0 1 356.430 0.570 40 0 FCABMN Cn1nc2c(CN[C@@H]3CCS(=O)(=O)C3)cc(-c3ccccc3)cn2c1=O ZINC000012233822 487550846 /nfs/dbraw/zinc/55/08/46/487550846.db2.gz YCQOHCHYOFMPCZ-MRXNPFEDSA-N 0 1 372.450 0.977 40 0 FCABMN CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000022581680 487621830 /nfs/dbraw/zinc/62/18/30/487621830.db2.gz HGAVJENEOGOUSY-AWEZNQCLSA-N 0 1 357.458 0.608 40 0 FCABMN CN1CCN(C(=O)CCc2ccc(F)cc2)C[C@](O)(Cn2cncn2)C1 ZINC000072354535 488379747 /nfs/dbraw/zinc/37/97/47/488379747.db2.gz NUUPQZXZRNBYLG-SFHVURJKSA-N 0 1 361.421 0.555 40 0 FCABMN CS(=O)(=O)N1C[C@@H](c2nc[nH]n2)c2cc(C(=O)N3CCCC3)ccc21 ZINC000096267781 488490927 /nfs/dbraw/zinc/49/09/27/488490927.db2.gz FBOGQCSMZWKQBH-CYBMUJFWSA-N 0 1 361.427 0.952 40 0 FCABMN Nc1nc2c(c(N)n1)C[C@@]1(COCC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C1)O2 ZINC000257304185 488525521 /nfs/dbraw/zinc/52/55/21/488525521.db2.gz SKKRMMQHUJPDJB-GOSISDBHSA-N 0 1 371.397 0.545 40 0 FCABMN C[C@]1(C(=O)NCCO)CCCN1Cc1cccc(CN2CCOCC2)c1 ZINC000257340575 488526430 /nfs/dbraw/zinc/52/64/30/488526430.db2.gz ZGSVKXDHMVWPEF-HXUWFJFHSA-N 0 1 361.486 0.982 40 0 FCABMN O=S(=O)(NCCN[C@H]1CCS(=O)(=O)C1)c1cccc2cccnc21 ZINC000575425717 491553855 /nfs/dbraw/zinc/55/38/55/491553855.db2.gz HPWJBFNHEWCPPU-ZDUSSCGKSA-N 0 1 369.468 0.290 40 0 FCABMN O=S(=O)(NCCN[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000575425799 491553950 /nfs/dbraw/zinc/55/39/50/491553950.db2.gz WXRYCEKZPYDFGT-LLVKDONJSA-N 0 1 352.865 0.395 40 0 FCABMN C[C@]1(C(=O)NCCO)CCCN1Cc1ccc(OCCOCCO)cc1 ZINC000585269879 491720493 /nfs/dbraw/zinc/72/04/93/491720493.db2.gz OCHQLFSSHXNZMS-LJQANCHMSA-N 0 1 366.458 0.537 40 0 FCABMN CN(C)C(=O)C[C@@]1(O)COCCN(Cc2cccc(OCCO)c2)C1 ZINC000585280620 491721157 /nfs/dbraw/zinc/72/11/57/491721157.db2.gz MDQAECYQELMWFZ-SFHVURJKSA-N 0 1 352.431 0.099 40 0 FCABMN CN(C)CC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 ZINC000585284563 491721310 /nfs/dbraw/zinc/72/13/10/491721310.db2.gz TXLHIEOXQLPHIQ-QGZVFWFLSA-N 0 1 353.394 0.239 40 0 FCABMN CN1CCN(C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)CC1 ZINC000585284492 491721343 /nfs/dbraw/zinc/72/13/43/491721343.db2.gz SQUUURJKJOWAEQ-WMZOPIPTSA-N 0 1 367.877 0.525 40 0 FCABMN O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(CN(Cc3cnc[nH]3)C2)C1 ZINC000604381746 492059725 /nfs/dbraw/zinc/05/97/25/492059725.db2.gz MNMMDIISAHSIJC-GOSISDBHSA-N 0 1 367.453 0.821 40 0 biogenic,in-vitro FCABMN CN1C(=O)CN(CC(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)C1=O ZINC000629949102 492708110 /nfs/dbraw/zinc/70/81/10/492708110.db2.gz NQSIVJLTAYGEJJ-UHFFFAOYSA-N 0 1 372.385 0.232 40 0 FCABMN O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3cnc[nH]3)C[C@H]12 ZINC001549162251 1267841111 /nfs/dbraw/zinc/84/11/11/1267841111.db2.gz SQIVGOFEUSRDON-HNNXBMFYSA-N 0 1 359.430 0.817 40 0 FCABMN COCCNC(=O)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000003838653 291029710 /nfs/dbraw/zinc/02/97/10/291029710.db2.gz RFWDZGQDCGMZRD-XHSDSOJGSA-N 0 1 370.457 0.813 40 0 biogenic,in-vitro FCABMN CC1(C)S[C@H]2[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-] ZINC000005496946 204211896 /nfs/dbraw/zinc/21/18/96/204211896.db2.gz LSQZJLSUYDQPKJ-ZHPDPMBESA-N 0 1 365.411 0.024 40 0 FCABMN O=S(=O)(NC[C@H]1OC[C@@H](NCc2ccncc2)[C@@H]1O)c1ccccc1 ZINC000077265427 205039366 /nfs/dbraw/zinc/03/93/66/205039366.db2.gz NSFBCOMQMAYJAQ-ZACQAIPSSA-N 0 1 363.439 0.278 40 0 biogenic,in-vitro FCABMN CCS(=O)(=O)NC[C@H]1Cn2nccc2CN(CC2CCOCC2)C1 ZINC000306127884 488893558 /nfs/dbraw/zinc/89/35/58/488893558.db2.gz GJVIKGOUDCZKTA-OAHLLOKOSA-N 0 1 356.492 0.681 40 0 FCABMN Cc1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC000022938925 487627168 /nfs/dbraw/zinc/62/71/68/487627168.db2.gz ARKHJGMDNYOGGO-UHFFFAOYSA-N 0 1 360.458 0.474 40 0 FCABMN CC(=O)Nc1nnc(S(=O)(=O)[N-]CCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000223407012 488448317 /nfs/dbraw/zinc/44/83/17/488448317.db2.gz NILRKGKYQTUDIG-SNVBAGLBSA-N 0 1 361.493 0.897 40 0 FCABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]CC[NH+](C)C)s2)c1 ZINC000223653761 488449107 /nfs/dbraw/zinc/44/91/07/488449107.db2.gz VQVOLKZHHYIXRC-UHFFFAOYSA-N 0 1 369.472 0.939 40 0 FCABMN O=C1[C@@H]2C[C@@H](O)CN2C2(CN(C3CCCC3)C2)C(=O)N1Cc1ccccc1 ZINC000225386039 488450202 /nfs/dbraw/zinc/45/02/02/488450202.db2.gz WHLVJJOZWAUELW-MSOLQXFVSA-N 0 1 369.465 0.988 40 0 biogenic,in-vitro FCABMN 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0 biogenic,in-vitro FCABMN COc1ccc(S(=O)(=O)NCCN[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575426427 491553953 /nfs/dbraw/zinc/55/39/53/491553953.db2.gz SVEJPBNPTQWPQX-CQSZACIVSA-N 0 1 362.473 0.140 40 0 FCABMN C[N@H+]1C[C@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CCN2C[C@@H](C(=O)[O-])C1 ZINC000096064116 209106730 /nfs/dbraw/zinc/10/67/30/209106730.db2.gz ZOGJLSPFHMPGFU-HOTGVXAUSA-N 0 1 356.426 0.941 40 0 FCABMN O[C@@H]1[C@@H](N2CCOCC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1cnc2ccccc2c1 ZINC000012483987 207382954 /nfs/dbraw/zinc/38/29/54/207382954.db2.gz BOMGHVJKULNWEW-LTFPLMDUSA-N 0 1 371.437 0.510 40 0 biogenic,in-vitro FCABMN O=S(=O)(NC[C@H]1OC[C@@H](NCc2cccnc2)[C@@H]1O)c1ccccc1 ZINC000077264663 208200186 /nfs/dbraw/zinc/20/01/86/208200186.db2.gz HPYDFXNEYAGDMH-ZACQAIPSSA-N 0 1 363.439 0.278 40 0 biogenic,in-vitro FCABMN Cn1cc(CN2C[C@H]3Cn4c(nn(CC5CCC5)c(=O)c4=O)[C@@H]3C2)cn1 ZINC000306126894 488893459 /nfs/dbraw/zinc/89/34/59/488893459.db2.gz FIEHABCDONXBBN-LSDHHAIUSA-N 0 1 356.430 0.168 40 0 FCABMN 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