smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000814170791 669877291 /nfs/dbraw/zinc/87/72/91/669877291.db2.gz CNRFDSJQMWDSFL-GOSISDBHSA-N 2 0 366.531 0.904 20 10 FCCDRP CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[NH+](C)C)cc1 ZINC000911299280 1195930476 /nfs/dbraw/zinc/93/04/76/1195930476.db2.gz WHNMZULXDZLVRJ-IRXDYDNUSA-N 2 0 361.490 0.325 20 10 FCCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2F)CC1 ZINC000852872379 1209570510 /nfs/dbraw/zinc/57/05/10/1209570510.db2.gz FLOYNQDEIONYBM-MAUKXSAKSA-N 2 0 364.465 0.948 20 10 FCCDRP COc1ccc(N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000866697747 1210001410 /nfs/dbraw/zinc/00/14/10/1210001410.db2.gz XUNTWRJQQDEVCC-UHFFFAOYSA-N 2 0 362.474 0.648 20 10 FCCDRP C[NH2+][C@@H](C)c1cn(C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)nn1 ZINC000881420713 1210590125 /nfs/dbraw/zinc/59/01/25/1210590125.db2.gz ZVBXRBXNMPGICX-RDJZCZTQSA-N 2 0 374.489 0.750 20 10 FCCDRP C[NH+](C)CCOCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883639141 1210677139 /nfs/dbraw/zinc/67/71/39/1210677139.db2.gz HJCGGHLGVQASBK-UHFFFAOYSA-N 2 0 363.506 0.816 20 10 FCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000884681253 1210778943 /nfs/dbraw/zinc/77/89/43/1210778943.db2.gz PVIORVYJEDLOEV-QGZVFWFLSA-N 2 0 373.501 0.170 20 10 FCCDRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000884716799 1210786642 /nfs/dbraw/zinc/78/66/42/1210786642.db2.gz JNTJTJIZXYYFBA-YJBOKZPZSA-N 2 0 373.501 0.169 20 10 FCCDRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000884718794 1210787946 /nfs/dbraw/zinc/78/79/46/1210787946.db2.gz PVKNAOMBCDHNJX-WBVHZDCISA-N 2 0 373.501 0.311 20 10 FCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)cc2)CC1 ZINC000885210319 1210815974 /nfs/dbraw/zinc/81/59/74/1210815974.db2.gz PZNOAGLMCMRAMN-QGZVFWFLSA-N 2 0 373.501 0.252 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000754013608 1220102076 /nfs/dbraw/zinc/10/20/76/1220102076.db2.gz KXUMTQDVHZTSLL-ZIFCJYIRSA-N 2 0 360.502 0.329 20 10 FCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000832281170 1222525363 /nfs/dbraw/zinc/52/53/63/1222525363.db2.gz SPMKNTJSMXSEET-ZBFHGGJFSA-N 2 0 357.462 0.526 20 10 FCCDRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)OCC1=O ZINC001276553385 1223514718 /nfs/dbraw/zinc/51/47/18/1223514718.db2.gz OIUVOWRLHYIYQR-GOSISDBHSA-N 2 0 365.430 0.168 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[NH2+]CC3(C)C)CC2)cc1 ZINC000923292976 1245704935 /nfs/dbraw/zinc/70/49/35/1245704935.db2.gz NJHOIJJOXJITCC-SFHVURJKSA-N 2 0 362.518 0.862 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3[C@H](C)C[NH2+]C[C@@H]3C)CC2)cc1 ZINC000923331190 1245709502 /nfs/dbraw/zinc/70/95/02/1245709502.db2.gz CTMSZAISDOHIHN-SCTDSRPQSA-N 2 0 362.518 0.860 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[NH2+][C@H](C)[C@H]3C)CC2)cc1 ZINC000923345579 1245711306 /nfs/dbraw/zinc/71/13/06/1245711306.db2.gz LVCAIABCCPLVNB-LMMKCTJWSA-N 2 0 362.518 0.860 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000923360398 1245713464 /nfs/dbraw/zinc/71/34/64/1245713464.db2.gz HTTLFGHOOLGSKC-KPFFTGBYSA-N 2 0 360.502 0.472 20 10 FCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H](O)C[NH3+])CC2)cc1 ZINC001219962962 855897435 /nfs/dbraw/zinc/89/74/35/855897435.db2.gz MSJWDJNVEQMFCD-INIZCTEOSA-N 2 0 350.463 0.033 20 10 FCCDRP COC(=O)[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@H]1[NH3+] ZINC001236363228 857440750 /nfs/dbraw/zinc/44/07/50/857440750.db2.gz ZWFXAIUEDOHNIT-DOTOQJQBSA-N 2 0 350.438 0.510 20 10 FCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000775652784 668226150 /nfs/dbraw/zinc/22/61/50/668226150.db2.gz TZIBACBQEMKMBL-QGZVFWFLSA-N 2 0 366.531 0.952 20 10 FCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000785979020 668739676 /nfs/dbraw/zinc/73/96/76/668739676.db2.gz KRKIMBDYNROHRS-QGZVFWFLSA-N 2 0 352.504 0.691 20 10 FCCDRP CN(C)c1ccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)[NH+](C)C)cc1 ZINC000899099355 1194111218 /nfs/dbraw/zinc/11/12/18/1194111218.db2.gz ZIZMKNLODZRVOH-ROUUACIJSA-N 2 0 363.506 0.721 20 10 FCCDRP CN(C)c1ccc([C@@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)[NH+](C)C)cc1 ZINC000899099356 1194111393 /nfs/dbraw/zinc/11/13/93/1194111393.db2.gz ZIZMKNLODZRVOH-ZWKOTPCHSA-N 2 0 363.506 0.721 20 10 FCCDRP CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC2=CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000911305071 1195931132 /nfs/dbraw/zinc/93/11/32/1195931132.db2.gz FMHLYOSBMCDXPU-GOSISDBHSA-N 2 0 373.501 0.507 20 10 FCCDRP CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)[NH+](C)C)cc1 ZINC000911304402 1195931447 /nfs/dbraw/zinc/93/14/47/1195931447.db2.gz WOLVVFKVZKOSET-MRXNPFEDSA-N 2 0 361.490 0.469 20 10 FCCDRP CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000911580984 1196303275 /nfs/dbraw/zinc/30/32/75/1196303275.db2.gz XMDMTNHJKYQTNG-SOLBZPMBSA-N 2 0 373.501 0.434 20 10 FCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000844162482 1203339881 /nfs/dbraw/zinc/33/98/81/1203339881.db2.gz DGSZFSXXUMBDRO-WBVHZDCISA-N 2 0 361.490 0.279 20 10 FCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCCC[NH2+]C3CC3)cc2)CC1 ZINC000884676230 1210778674 /nfs/dbraw/zinc/77/86/74/1210778674.db2.gz GLLFDYHWQMHBHB-UHFFFAOYSA-N 2 0 373.501 0.313 20 10 FCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CCC([NH3+])CC3)cc2)CC1 ZINC000884685126 1210780091 /nfs/dbraw/zinc/78/00/91/1210780091.db2.gz ZGQPZTBTTJMIBT-UHFFFAOYSA-N 2 0 373.501 0.441 20 10 FCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CCC(C)([NH3+])CC3)cc2)CC1 ZINC000885209870 1210815492 /nfs/dbraw/zinc/81/54/92/1210815492.db2.gz DCWOPQJIEKAVJO-UHFFFAOYSA-N 2 0 373.501 0.394 20 10 FCCDRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)[NH2+]1 ZINC000885209917 1210815524 /nfs/dbraw/zinc/81/55/24/1210815524.db2.gz FPBFHYHGKRNLJY-HZPDHXFCSA-N 2 0 373.501 0.263 20 10 FCCDRP C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000885209843 1210815583 /nfs/dbraw/zinc/81/55/83/1210815583.db2.gz CNKRPZIBPSTBEH-CVEARBPZSA-N 2 0 373.501 0.263 20 10 FCCDRP CCN(C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000885210538 1210815819 /nfs/dbraw/zinc/81/58/19/1210815819.db2.gz WFRSLFVTXONLFG-GOSISDBHSA-N 2 0 373.501 0.265 20 10 FCCDRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001275035379 1211168769 /nfs/dbraw/zinc/16/87/69/1211168769.db2.gz SOBUQGRALZXMRC-LJQANCHMSA-N 2 0 363.458 0.710 20 10 FCCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N(CC[NH3+])CCO)cc2F)CC1 ZINC000841791902 1222829251 /nfs/dbraw/zinc/82/92/51/1222829251.db2.gz BSRWRXYVXGBLSQ-UHFFFAOYSA-N 2 0 367.469 0.430 20 10 FCCDRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c(O)cc(O)cc3O)C2)OCC1=O ZINC001276553390 1223514988 /nfs/dbraw/zinc/51/49/88/1223514988.db2.gz OIUVOWRLHYIYQR-SFHVURJKSA-N 2 0 365.430 0.168 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN[C@@](C)(C[NH3+])C3CC3)CC2)cc1 ZINC000923297126 1245704872 /nfs/dbraw/zinc/70/48/72/1245704872.db2.gz YURBEDZLOQKJKC-QUCCMNQESA-N 2 0 362.518 0.895 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000923332756 1245709619 /nfs/dbraw/zinc/70/96/19/1245709619.db2.gz WOZVJOJRWKPRTA-FPOVZHCZSA-N 2 0 374.529 0.864 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000923360400 1245712406 /nfs/dbraw/zinc/71/24/06/1245712406.db2.gz HTTLFGHOOLGSKC-POAQFYNOSA-N 2 0 360.502 0.472 20 10 FCCDRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC001236310035 1259588509 /nfs/dbraw/zinc/58/85/09/1259588509.db2.gz UMUDMMVDSHQOSE-UHFFFAOYSA-N 2 0 363.506 0.139 20 10 FCCDRP CN(C)c1ccc([C@@H](CNC(=O)NCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC001336240743 1260055114 /nfs/dbraw/zinc/05/51/14/1260055114.db2.gz OIEDPOYZCJYWNR-GOSISDBHSA-N 2 0 362.522 0.560 20 10 FCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C3=NOC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC001340966079 1268726914 /nfs/dbraw/zinc/72/69/14/1268726914.db2.gz GHCOIQDAUNEYBT-UHFFFAOYSA-N 2 0 371.485 0.953 20 10 FCCDRP COc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c(O)cc1O ZINC001279299919 862818750 /nfs/dbraw/zinc/81/87/50/862818750.db2.gz SRNVNMYFOPAHBD-GASCZTMLSA-N 2 0 351.447 0.553 20 10 FCCDRP COC(=O)[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@@H]1[NH3+] ZINC001236363233 857440963 /nfs/dbraw/zinc/44/09/63/857440963.db2.gz ZWFXAIUEDOHNIT-RDJZCZTQSA-N 2 0 350.438 0.510 20 10 FCCDRP COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905427324 666023550 /nfs/dbraw/zinc/02/35/50/666023550.db2.gz NETKKUNYHOLRRO-APWZRJJASA-N 2 0 351.491 0.940 20 10 FCCDRP CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779610073 668431161 /nfs/dbraw/zinc/43/11/61/668431161.db2.gz XZCMEFWVSHNPBV-SFHVURJKSA-N 2 0 366.531 0.952 20 10 FCCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCOC)cc2F)CC1 ZINC000884236014 673441125 /nfs/dbraw/zinc/44/11/25/673441125.db2.gz KQACILCJSLNPHM-MRXNPFEDSA-N 2 0 352.454 0.948 20 10 FCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000911366562 1195949004 /nfs/dbraw/zinc/94/90/04/1195949004.db2.gz PYYAXJUELUSEIW-KRWDZBQOSA-N 2 0 373.501 0.252 20 10 FCCDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000911581017 1196303064 /nfs/dbraw/zinc/30/30/64/1196303064.db2.gz YIRZEYLEWPFBFI-KMFMINBZSA-N 2 0 361.490 0.420 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cc([C@H](C)[NH3+])nn3)CC2)cc1 ZINC000881419281 1210589782 /nfs/dbraw/zinc/58/97/82/1210589782.db2.gz NWTXJFSHNSKGNI-GOEBONIOSA-N 2 0 360.462 0.490 20 10 FCCDRP Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(=O)n(C)c1=O ZINC000883283738 1210660320 /nfs/dbraw/zinc/66/03/20/1210660320.db2.gz RFGQYTFWUDWOIE-UHFFFAOYSA-N 2 0 357.458 0.126 20 10 FCCDRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000885209782 1210815471 /nfs/dbraw/zinc/81/54/71/1210815471.db2.gz AOJXPIMEFYYNAC-GOSISDBHSA-N 2 0 373.501 0.265 20 10 FCCDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000885210164 1210815689 /nfs/dbraw/zinc/81/56/89/1210815689.db2.gz KXROODPETTYWOD-ZBFHGGJFSA-N 2 0 359.474 0.003 20 10 FCCDRP CCN(C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000885210539 1210816021 /nfs/dbraw/zinc/81/60/21/1210816021.db2.gz WFRSLFVTXONLFG-SFHVURJKSA-N 2 0 373.501 0.265 20 10 FCCDRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001275035378 1211168503 /nfs/dbraw/zinc/16/85/03/1211168503.db2.gz SOBUQGRALZXMRC-IBGZPJMESA-N 2 0 363.458 0.710 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000754013606 1220101777 /nfs/dbraw/zinc/10/17/77/1220101777.db2.gz KXUMTQDVHZTSLL-LNLFQRSKSA-N 2 0 360.502 0.329 20 10 FCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000832281169 1222525394 /nfs/dbraw/zinc/52/53/94/1222525394.db2.gz SPMKNTJSMXSEET-HOCLYGCPSA-N 2 0 357.462 0.526 20 10 FCCDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000843047897 1222857557 /nfs/dbraw/zinc/85/75/57/1222857557.db2.gz AODIBCCJCUJIHW-MRXNPFEDSA-N 2 0 364.465 0.949 20 10 FCCDRP COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC[C@H](C[NH3+])C3)CC2)cc1 ZINC000923281254 1245705036 /nfs/dbraw/zinc/70/50/36/1245705036.db2.gz NKQFQSZTEGSZFO-MJGOQNOKSA-N 2 0 362.518 0.849 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)cc1 ZINC000923285863 1245706056 /nfs/dbraw/zinc/70/60/56/1245706056.db2.gz GQYGFAMUBDCQHZ-SCTDSRPQSA-N 2 0 362.518 0.860 20 10 FCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000923357963 1245712682 /nfs/dbraw/zinc/71/26/82/1245712682.db2.gz BVSZGZGJHDNTQJ-HFSMHLIXSA-N 2 0 374.529 0.862 20 10 FCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC001235699868 1259582242 /nfs/dbraw/zinc/58/22/42/1259582242.db2.gz SWTOAQCCFXIMED-UHFFFAOYSA-N 3 0 359.518 0.671 20 10 FCCDRP Oc1c(CN2CC[NH2+]CCNCC[NH2+]CC2)cc2c3c1CCCN3CCC2 ZINC001235870213 1259582514 /nfs/dbraw/zinc/58/25/14/1259582514.db2.gz GHNMVEIRVYLKPZ-UHFFFAOYSA-N 2 0 373.545 0.675 20 10 FCCDRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001262069444 1260256000 /nfs/dbraw/zinc/25/60/00/1260256000.db2.gz CQTRGBFEGSWEEX-OAHLLOKOSA-N 2 0 361.490 0.169 20 10 FCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3CC34C[NH2+]C4)CC2)cc1 ZINC001579225599 1277032202 /nfs/dbraw/zinc/03/22/02/1277032202.db2.gz QREUHGXYLFMPAS-GOSISDBHSA-N 2 0 358.486 0.933 20 10 FCCDRP COC(=O)C1(O)CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139260620 849334191 /nfs/dbraw/zinc/33/41/91/849334191.db2.gz NDOGOXLAHASCEM-UHFFFAOYSA-N 2 0 352.431 0.962 20 10 FCCDRP Oc1cccc(Br)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871229 857433611 /nfs/dbraw/zinc/43/36/11/857433611.db2.gz QYAWZYAWZQASRT-UHFFFAOYSA-N 2 0 357.296 0.739 20 10 FCCDRP COC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@H]1[NH3+] ZINC001236363231 857440772 /nfs/dbraw/zinc/44/07/72/857440772.db2.gz ZWFXAIUEDOHNIT-NVXWUHKLSA-N 2 0 350.438 0.510 20 10 FCCDRP CCS(=O)(=O)NCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001308235312 866709126 /nfs/dbraw/zinc/70/91/26/866709126.db2.gz QWUKBDVJJIGUED-UHFFFAOYSA-N 2 0 354.520 0.857 20 10 FCCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000814170792 669877363 /nfs/dbraw/zinc/87/73/63/669877363.db2.gz CNRFDSJQMWDSFL-SFHVURJKSA-N 2 0 366.531 0.904 20 10 FCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000846032218 671071489 /nfs/dbraw/zinc/07/14/89/671071489.db2.gz BYRBFTHDONCDBX-INIZCTEOSA-N 2 0 352.504 0.562 20 10 FCCDRP CN(C)c1ccc([C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000903597633 675951567 /nfs/dbraw/zinc/95/15/67/675951567.db2.gz APSJWWRRUKUANC-INIZCTEOSA-N 2 0 355.508 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