smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H](Cc1ccccc1)C(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC000004082750 686416337 /nfs/dbraw/zinc/41/63/37/686416337.db2.gz LVEXBOAQOQGGLP-IJPHXGJKSA-N 1 1 327.333 -2.101 10 0 EAAEMO [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)NCC(=O)[O-] ZINC000004261917 374241640 /nfs/dbraw/zinc/24/16/40/374241640.db2.gz XKIYNCLILDLGRS-QWRGUYRKSA-N 1 1 340.384 -1.906 10 0 EAAEMO NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000004899741 210316692 /nfs/dbraw/zinc/31/66/92/210316692.db2.gz XWTVSBXZYCPNKG-RYUDHWBXSA-N 1 1 336.396 -1.505 10 0 EAAEMO [NH3+]CCCC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)[O-] ZINC000005116876 685460659 /nfs/dbraw/zinc/46/06/59/685460659.db2.gz NQKRILCJYCASDV-QWRGUYRKSA-N 1 1 340.384 -1.906 10 0 EAAEMO [NH3+]CCCC[C@H](NC(=O)C[NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000005116892 210392849 /nfs/dbraw/zinc/39/28/49/210392849.db2.gz IUKIDFVOUHZRAK-QWRGUYRKSA-N 1 1 340.384 -1.906 10 0 EAAEMO Cn1c2nc3scc(C[NH+](CCO)CCO)n3c2c(=O)[nH]c1=O ZINC000006668095 374895805 /nfs/dbraw/zinc/89/58/05/374895805.db2.gz AVLYEWBJKYLUHM-UHFFFAOYSA-N 1 1 339.377 -1.277 10 0 EAAEMO Cn1c(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc(=O)n(C)c1=O ZINC000011153924 686417660 /nfs/dbraw/zinc/41/76/60/686417660.db2.gz UZYYNQSBDAKDAK-UHFFFAOYSA-N 1 1 330.410 -1.402 10 0 EAAEMO CN(C/C=C\C[NH3+])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000013888823 374900591 /nfs/dbraw/zinc/90/05/91/374900591.db2.gz YWJCZGDVJQLZET-GGHFOJMISA-N 1 1 349.395 -1.526 10 0 EAAEMO [NH2+]=C(NO)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c2[nH]cnc(=NO)c12 ZINC000016978388 685560379 /nfs/dbraw/zinc/56/03/79/685560379.db2.gz VDRNYDUPTSTUEE-GVYNHYCVSA-N 1 1 340.296 -1.852 10 0 EAAEMO COC(=O)[C@@H]1CC(=O)N2CN(N3CC[NH+](C)CC3)CN[C@H]2S1 ZINC000019168311 685053986 /nfs/dbraw/zinc/05/39/86/685053986.db2.gz LUXQIGWRMQETBF-GXFFZTMASA-N 1 1 329.426 -1.240 10 0 EAAEMO COC(=O)[C@@H]1CC(=O)N2CN(N3CC[NH+](C)CC3)CN[C@@H]2S1 ZINC000019168398 685047546 /nfs/dbraw/zinc/04/75/46/685047546.db2.gz LUXQIGWRMQETBF-GWCFXTLKSA-N 1 1 329.426 -1.240 10 0 EAAEMO COC(=O)[C@H]1CC(=O)N2CN(N3CC[NH+](C)CC3)CN[C@@H]2S1 ZINC000019173034 685048026 /nfs/dbraw/zinc/04/80/26/685048026.db2.gz LUXQIGWRMQETBF-MFKMUULPSA-N 1 1 329.426 -1.240 10 0 EAAEMO CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCC(C(N)=O)CC2)[C@H]1O ZINC000020463913 285562915 /nfs/dbraw/zinc/56/29/15/285562915.db2.gz CJLMYTOSAFUIJX-MPLKPFFPSA-N 1 1 342.396 -1.644 10 0 EAAEMO C[N@H+]1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000022064505 685770326 /nfs/dbraw/zinc/77/03/26/685770326.db2.gz SAWAIULJDYFLPD-PMKSJIGOSA-O 1 1 339.368 -1.195 10 0 EAAEMO C[N@@H+]1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]2O)c1 ZINC000022064505 685770322 /nfs/dbraw/zinc/77/03/22/685770322.db2.gz SAWAIULJDYFLPD-PMKSJIGOSA-O 1 1 339.368 -1.195 10 0 EAAEMO O=C(CN1CC[NH+](CCO)CC1)N1CCN(c2ncccn2)CC1 ZINC000022817724 685070086 /nfs/dbraw/zinc/07/00/86/685070086.db2.gz LWPSLKJVXCYZOG-UHFFFAOYSA-N 1 1 334.424 -1.265 10 0 EAAEMO O=C(CN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1)NC1CC1 ZINC000025300941 685107991 /nfs/dbraw/zinc/10/79/91/685107991.db2.gz UZOUHQDLSGYGPG-OAHLLOKOSA-N 1 1 326.441 -1.424 10 0 EAAEMO O=C(CN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1)NC1CC1 ZINC000025300944 685108049 /nfs/dbraw/zinc/10/80/49/685108049.db2.gz UZOUHQDLSGYGPG-HNNXBMFYSA-N 1 1 326.441 -1.424 10 0 EAAEMO CCCCOC(=O)NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CC(N)=O ZINC000031417151 685775238 /nfs/dbraw/zinc/77/52/38/685775238.db2.gz GNURUUOBIIVPEH-QMMMGPOBSA-N 1 1 345.356 -2.526 10 0 EAAEMO C[C@@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(N)=O ZINC000031425252 685091965 /nfs/dbraw/zinc/09/19/65/685091965.db2.gz ZHRWYRKHIBLAQB-XVMARJQXSA-N 1 1 330.345 -4.200 10 0 EAAEMO [NH3+]CCCC[C@H](C(=O)[O-])C(=O)N[C@H](Cc1cnc[nH]1)NC(=O)C[NH3+] ZINC000031538295 685050450 /nfs/dbraw/zinc/05/04/50/685050450.db2.gz HPPKCGVFBATKPA-WDEREUQCSA-N 1 1 340.384 -1.701 10 0 EAAEMO C[N@@H+](CCON)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000031976751 685115665 /nfs/dbraw/zinc/11/56/65/685115665.db2.gz PPIPUCUVJJZYEK-QYVSTXNMSA-N 1 1 339.356 -2.150 10 0 in-vivo EAAEMO C[N@H+](CCON)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000031976751 685115661 /nfs/dbraw/zinc/11/56/61/685115661.db2.gz PPIPUCUVJJZYEK-QYVSTXNMSA-N 1 1 339.356 -2.150 10 0 in-vivo EAAEMO NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)[O-] ZINC000033982465 685584728 /nfs/dbraw/zinc/58/47/28/685584728.db2.gz DDPXDCKYWDGZAL-BQBZGAKWSA-N 1 1 345.360 -3.862 10 0 EAAEMO [NH3+][C@H](Cc1ccccc1)C(=O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000035485043 686421028 /nfs/dbraw/zinc/42/10/28/686421028.db2.gz LVEXBOAQOQGGLP-CSPKTOEMSA-N 1 1 327.333 -2.101 10 0 EAAEMO C[N@H+]1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]2O)c1 ZINC000035645578 560078991 /nfs/dbraw/zinc/07/89/91/560078991.db2.gz SAWAIULJDYFLPD-XWSJDDSLSA-O 1 1 339.368 -1.195 10 0 biogenic,in-vitro EAAEMO C[N@@H+]1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]2O)c1 ZINC000035645578 560078989 /nfs/dbraw/zinc/07/89/89/560078989.db2.gz SAWAIULJDYFLPD-XWSJDDSLSA-O 1 1 339.368 -1.195 10 0 biogenic,in-vitro EAAEMO CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000037804796 685594610 /nfs/dbraw/zinc/59/46/10/685594610.db2.gz WUGXDTXMUVWFOG-NXEZZACHSA-N 1 1 326.440 -1.216 10 0 EAAEMO CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000037804797 685594720 /nfs/dbraw/zinc/59/47/20/685594720.db2.gz WUGXDTXMUVWFOG-VHSXEESVSA-N 1 1 326.440 -1.216 10 0 EAAEMO CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000037804798 685594895 /nfs/dbraw/zinc/59/48/95/685594895.db2.gz WUGXDTXMUVWFOG-ZJUUUORDSA-N 1 1 326.440 -1.216 10 0 EAAEMO CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000037804799 685594704 /nfs/dbraw/zinc/59/47/04/685594704.db2.gz WUGXDTXMUVWFOG-UWVGGRQHSA-N 1 1 326.440 -1.216 10 0 EAAEMO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000037809626 685595129 /nfs/dbraw/zinc/59/51/29/685595129.db2.gz YSDHQEPRQRIRBF-ZJUUUORDSA-N 1 1 342.439 -2.244 10 0 EAAEMO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000037809627 685594906 /nfs/dbraw/zinc/59/49/06/685594906.db2.gz YSDHQEPRQRIRBF-NXEZZACHSA-N 1 1 342.439 -2.244 10 0 EAAEMO CS(=O)(=O)CC[C@H]([NH3+])C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000037809628 685594943 /nfs/dbraw/zinc/59/49/43/685594943.db2.gz YSDHQEPRQRIRBF-UWVGGRQHSA-N 1 1 342.439 -2.244 10 0 EAAEMO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 ZINC000037809629 685595118 /nfs/dbraw/zinc/59/51/18/685595118.db2.gz YSDHQEPRQRIRBF-VHSXEESVSA-N 1 1 342.439 -2.244 10 0 EAAEMO CN(CC(=O)NCC(F)(F)F)C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000037814041 685594790 /nfs/dbraw/zinc/59/47/90/685594790.db2.gz GJWHXTIYYIQYHH-SSDOTTSWSA-N 1 1 333.332 -1.115 10 0 EAAEMO CN(CC(=O)NCC(F)(F)F)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000037814042 685594962 /nfs/dbraw/zinc/59/49/62/685594962.db2.gz GJWHXTIYYIQYHH-ZETCQYMHSA-N 1 1 333.332 -1.115 10 0 EAAEMO NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)[C@H]([NH3+])CC(N)=O)C(=O)[O-] ZINC000039799441 685122864 /nfs/dbraw/zinc/12/28/64/685122864.db2.gz DDPXDCKYWDGZAL-RQJHMYQMSA-N 1 1 345.360 -3.862 10 0 EAAEMO NC(=[NH2+])NCCC[C@@H](NC(=O)CNC(=O)[C@H]([NH3+])CC(N)=O)C(=O)[O-] ZINC000039799444 685122556 /nfs/dbraw/zinc/12/25/56/685122556.db2.gz DDPXDCKYWDGZAL-RNFRBKRXSA-N 1 1 345.360 -3.862 10 0 EAAEMO [NH3+]CCCC[C@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)NCC(=O)[O-] ZINC000039821688 685124186 /nfs/dbraw/zinc/12/41/86/685124186.db2.gz XKIYNCLILDLGRS-MNOVXSKESA-N 1 1 340.384 -1.906 10 0 EAAEMO [NH3+]CCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)NCC(=O)[O-] ZINC000039821693 685124133 /nfs/dbraw/zinc/12/41/33/685124133.db2.gz XKIYNCLILDLGRS-WDEREUQCSA-N 1 1 340.384 -1.906 10 0 EAAEMO [NH3+]CCCC[C@@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)NCC(=O)[O-] ZINC000039821696 685124010 /nfs/dbraw/zinc/12/40/10/685124010.db2.gz XKIYNCLILDLGRS-GHMZBOCLSA-N 1 1 340.384 -1.906 10 0 EAAEMO C[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000039829103 374425211 /nfs/dbraw/zinc/42/52/11/374425211.db2.gz SLKLLQWZQHXYSV-CIUDSAMLSA-N 1 1 331.373 -2.608 10 0 EAAEMO C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)[O-] ZINC000039830367 374424558 /nfs/dbraw/zinc/42/45/58/374424558.db2.gz RCFGLXMZDYNRSC-CIUDSAMLSA-N 1 1 331.373 -2.608 10 0 EAAEMO COC(=O)[C@H]1CC(=O)N2CN(N3CC[NH+](C)CC3)CN[C@H]2S1 ZINC000039916111 685052663 /nfs/dbraw/zinc/05/26/63/685052663.db2.gz LUXQIGWRMQETBF-ZWNOBZJWSA-N 1 1 329.426 -1.240 10 0 EAAEMO C[N@H+]1CCC[C@@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]2O)c1 ZINC000044171856 685147399 /nfs/dbraw/zinc/14/73/99/685147399.db2.gz SAWAIULJDYFLPD-ZAQNNHEOSA-O 1 1 339.368 -1.195 10 0 EAAEMO C[N@@H+]1CCC[C@@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]2O)c1 ZINC000044171856 685147398 /nfs/dbraw/zinc/14/73/98/685147398.db2.gz SAWAIULJDYFLPD-ZAQNNHEOSA-O 1 1 339.368 -1.195 10 0 EAAEMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2nc3ncccn3n2)CC1 ZINC000058920753 685461265 /nfs/dbraw/zinc/46/12/65/685461265.db2.gz ZKLUBAZGKDMGTK-UHFFFAOYSA-N 1 1 331.380 -1.053 10 0 EAAEMO [NH3+][C@H](Cc1ccccc1)C(=O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000059485578 685461243 /nfs/dbraw/zinc/46/12/43/685461243.db2.gz LVEXBOAQOQGGLP-JVOIICGBSA-N 1 1 327.333 -2.101 10 0 EAAEMO NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[NH3+] ZINC000059560702 685123543 /nfs/dbraw/zinc/12/35/43/685123543.db2.gz CEQLNMDCZOVWPK-QWRGUYRKSA-N 1 1 339.400 -2.505 10 0 EAAEMO COCCS(=O)(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000062124644 685056798 /nfs/dbraw/zinc/05/67/98/685056798.db2.gz HKZQZCGIDSUEIP-UHFFFAOYSA-N 1 1 349.453 -1.171 10 0 EAAEMO CC(=O)NCCC(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000062265370 685056483 /nfs/dbraw/zinc/05/64/83/685056483.db2.gz PLIMOOOIXZMMPO-UHFFFAOYSA-N 1 1 340.424 -1.094 10 0 EAAEMO CCNS(=O)(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000062265486 685056686 /nfs/dbraw/zinc/05/66/86/685056686.db2.gz NNALAFQGUMLEGD-UHFFFAOYSA-N 1 1 334.442 -1.293 10 0 EAAEMO NC(=O)CN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CSC[NH2+]3)CCN2C1=O ZINC000067902464 283287098 /nfs/dbraw/zinc/28/70/98/283287098.db2.gz FCFQJZYJLWKVKS-YUMQZZPRSA-N 1 1 327.366 -2.391 10 0 EAAEMO Nc1[nH+]cnc2c1c(-c1c[nH]nn1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000072107667 216009359 /nfs/dbraw/zinc/00/93/59/216009359.db2.gz HWTAXOKFGJAVJF-QYVSTXNMSA-N 1 1 333.308 -1.590 10 0 EAAEMO C[NH+]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000072790307 685608283 /nfs/dbraw/zinc/60/82/83/685608283.db2.gz KHQZUBTYZXYHDH-CQSZACIVSA-N 1 1 344.481 -1.435 10 0 EAAEMO C[NH+]1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000072790308 685607989 /nfs/dbraw/zinc/60/79/89/685607989.db2.gz KHQZUBTYZXYHDH-AWEZNQCLSA-N 1 1 344.481 -1.435 10 0 EAAEMO O=C(CN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1)N1CCCC1 ZINC000072895109 685608112 /nfs/dbraw/zinc/60/81/12/685608112.db2.gz SEFJUYAWEBRCBP-INIZCTEOSA-N 1 1 340.468 -1.081 10 0 EAAEMO O=C(CN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1)N1CCCC1 ZINC000072895112 685608188 /nfs/dbraw/zinc/60/81/88/685608188.db2.gz SEFJUYAWEBRCBP-MRXNPFEDSA-N 1 1 340.468 -1.081 10 0 EAAEMO Cn1ncc2c1ncn(CC(=O)NCCC[NH+]1CCN(C)CC1)c2=O ZINC000073301751 685608979 /nfs/dbraw/zinc/60/89/79/685608979.db2.gz BFGHROYNAMCWEM-UHFFFAOYSA-N 1 1 347.423 -1.116 10 0 EAAEMO O=C(C1=NNC(=O)CC1)N1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000075045913 685061176 /nfs/dbraw/zinc/06/11/76/685061176.db2.gz ZWBNMNBUTKFHEQ-JTQLQIEISA-N 1 1 325.394 -1.414 10 0 EAAEMO O=C(C1=NNC(=O)CC1)N1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000075045914 685060967 /nfs/dbraw/zinc/06/09/67/685060967.db2.gz ZWBNMNBUTKFHEQ-SNVBAGLBSA-N 1 1 325.394 -1.414 10 0 EAAEMO O=C([C@@H]1CSC[NH2+]1)N1CCCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000075051061 685060748 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C[NH+](C)CCN(C(=O)CCNC(N)=S)[C@H]1CCS(=O)(=O)C1 ZINC000240801916 685596593 /nfs/dbraw/zinc/59/65/93/685596593.db2.gz BATRVAOXIMMNEY-JTQLQIEISA-N 1 1 336.483 -1.213 10 0 EAAEMO C[NH+](C)CCN(C(=O)CCNC(N)=S)[C@@H]1CCS(=O)(=O)C1 ZINC000240801917 685596529 /nfs/dbraw/zinc/59/65/29/685596529.db2.gz BATRVAOXIMMNEY-SNVBAGLBSA-N 1 1 336.483 -1.213 10 0 EAAEMO C[NH+]1CCN(C(=O)C2(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000242419264 685051522 /nfs/dbraw/zinc/05/15/22/685051522.db2.gz BIQRLGHXEMQCRM-LLVKDONJSA-N 1 1 329.422 -1.156 10 0 EAAEMO C[NH+]1CCN(C(=O)C2(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000242419265 685051569 /nfs/dbraw/zinc/05/15/69/685051569.db2.gz BIQRLGHXEMQCRM-NSHDSACASA-N 1 1 329.422 -1.156 10 0 EAAEMO CCN(C(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000242554490 685052292 /nfs/dbraw/zinc/05/22/92/685052292.db2.gz CCTXTGNQATZZCI-GHMZBOCLSA-N 1 1 338.451 -1.201 10 0 EAAEMO CCN(C(=O)C[NH2+][C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000242554491 685052023 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C[NH+](C)CCN(C(=O)NCCCNC=O)[C@H]1CCS(=O)(=O)C1 ZINC000242827161 685054264 /nfs/dbraw/zinc/05/42/64/685054264.db2.gz FOGRQGAUKULVQK-LBPRGKRZSA-N 1 1 334.442 -1.117 10 0 EAAEMO C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000242851560 685059814 /nfs/dbraw/zinc/05/98/14/685059814.db2.gz FZYBNUKYMVZJCN-GRYCIOLGSA-N 1 1 329.422 -1.300 10 0 EAAEMO C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000242851561 685059633 /nfs/dbraw/zinc/05/96/33/685059633.db2.gz FZYBNUKYMVZJCN-IJLUTSLNSA-N 1 1 329.422 -1.300 10 0 EAAEMO C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000242851562 685060011 /nfs/dbraw/zinc/06/00/11/685060011.db2.gz FZYBNUKYMVZJCN-QJPTWQEYSA-N 1 1 329.422 -1.300 10 0 EAAEMO C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000242851563 685059831 /nfs/dbraw/zinc/05/98/31/685059831.db2.gz FZYBNUKYMVZJCN-SDDRHHMPSA-N 1 1 329.422 -1.300 10 0 EAAEMO C[NH+](C)CCN(C(=O)NCCOCCO)[C@@H]1CCS(=O)(=O)C1 ZINC000243092127 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