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CCABLN C[C@@H](C(=O)N1CCCCC1)[C@H]1SC(=O)NC1=O ZINC000004537880 347996952 /nfs/dbraw/zinc/99/69/52/347996952.db2.gz BVEYGSDESRYOQV-HTQZYQBOSA-N 0 2 256.327 0.987 40 0 CCABLN CS(=O)(=O)N1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000019722469 348068622 /nfs/dbraw/zinc/06/86/22/348068622.db2.gz VTGOHSLQJGDXHH-UHFFFAOYSA-N 0 2 298.364 0.462 40 0 CCABLN CCOC(=O)C(F)(F)S(=O)(=O)c1ncc[nH]1 ZINC000217575125 351949097 /nfs/dbraw/zinc/94/90/97/351949097.db2.gz OSEJHEUNBXAYBW-UHFFFAOYSA-N 0 2 254.214 0.339 40 0 CCABLN O=C([O-])[C@H]1CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000096517267 389063208 /nfs/dbraw/zinc/06/32/08/389063208.db2.gz VKCBJDWIEMKBGL-VIFPVBQESA-N 0 2 259.269 0.573 40 0 CCABLN CCOC(=O)c1n[nH]c(I)n1 ZINC000040448818 174265588 /nfs/dbraw/zinc/26/55/88/174265588.db2.gz YMFLKRFMBPWDLT-UHFFFAOYSA-N 0 2 267.026 0.586 40 0 CCABLN CCN1c2ccccc2C(=C2C(=O)NC(=O)NC2=O)C1=O ZINC000005456130 348001827 /nfs/dbraw/zinc/00/18/27/348001827.db2.gz MFIKRTUMQNUDLT-UHFFFAOYSA-N 0 2 285.259 0.173 40 0 CCABLN Cn1c[nH+]c2c1[C@@H](C(=O)[O-])CN(C(=O)C1CCOCC1)C2 ZINC000096196758 389050124 /nfs/dbraw/zinc/05/01/24/389050124.db2.gz PZPHCYISBOPRJC-JTQLQIEISA-N 0 2 293.323 0.357 40 0 CCABLN COc1ccc(Cc2c(O)[nH]c(=S)[nH]c2=O)cc1OC ZINC000005514315 170106774 /nfs/dbraw/zinc/10/67/74/170106774.db2.gz YUYWEPVURLKSER-UHFFFAOYSA-N 0 2 294.332 0.393 40 0 CCABLN Cc1noc(C)c1NS(=O)(=O)c1cnn(C)c1 ZINC000002803451 347972812 /nfs/dbraw/zinc/97/28/12/347972812.db2.gz LPXLOAJGPFSSMR-UHFFFAOYSA-N 0 2 256.287 0.826 40 0 CCABLN CN(C)C(=O)[C@]1(C)CN(Cc2c[nH]cn2)CCO1 ZINC000257325882 190034232 /nfs/dbraw/zinc/03/42/32/190034232.db2.gz WUVZBOVZADEPBA-LBPRGKRZSA-N 0 2 252.318 0.089 40 0 CCABLN Nc1c(Br)c[nH+]cc1S(=O)(=O)[O-] ZINC000072210935 388960734 /nfs/dbraw/zinc/96/07/34/388960734.db2.gz SJNVCHPVLWDCJY-UHFFFAOYSA-N 0 2 253.077 0.673 40 0 CCABLN COc1ccc(Cn2c(O)cc(=O)[nH]c2=S)cc1 ZINC000000368809 347945856 /nfs/dbraw/zinc/94/58/56/347945856.db2.gz URDDEVYGSIYQHB-UHFFFAOYSA-N 0 2 264.306 0.829 40 0 CCABLN COc1ccc(Cn2c(=O)cc(O)[nH]c2=S)cc1 ZINC000000368809 347945858 /nfs/dbraw/zinc/94/58/58/347945858.db2.gz URDDEVYGSIYQHB-UHFFFAOYSA-N 0 2 264.306 0.829 40 0 CCABLN CCNc1cc(-c2ccccc2)[nH+]c(NCC(=O)[O-])n1 ZINC000328973202 202135440 /nfs/dbraw/zinc/13/54/40/202135440.db2.gz FALZRUSAAYTUTK-UHFFFAOYSA-N 0 2 272.308 0.916 40 0 CCABLN CO[C@H]1CCN(C(=O)c2cncnc2)C[C@@]12CCCO2 ZINC000257325930 190034143 /nfs/dbraw/zinc/03/41/43/190034143.db2.gz WVBUYCAQFSBVOW-JSGCOSHPSA-N 0 2 277.324 0.887 40 0 CCABLN COc1ccc(C(=O)[C@@H](CO)S(C)(=O)=O)cc1 ZINC000096518776 389063359 /nfs/dbraw/zinc/06/33/59/389063359.db2.gz YIWGFZNTAVIHIH-SNVBAGLBSA-N 0 2 258.295 0.283 40 0 CCABLN CC(=O)NCc1cncc([C@H]2CCC[N@@H+]2CC(=O)[O-])n1 ZINC000257336772 278125464 /nfs/dbraw/zinc/12/54/64/278125464.db2.gz YPYYJKQGLQWCGW-GFCCVEGCSA-N 0 2 278.312 0.334 40 0 CCABLN CC(=O)NCc1cncc([C@H]2CCC[N@H+]2CC(=O)[O-])n1 ZINC000257336772 278125465 /nfs/dbraw/zinc/12/54/65/278125465.db2.gz YPYYJKQGLQWCGW-GFCCVEGCSA-N 0 2 278.312 0.334 40 0 CCABLN CCNc1cc(-c2cccnc2)[nH+]c(NCC(=O)[O-])n1 ZINC000328973110 202135978 /nfs/dbraw/zinc/13/59/78/202135978.db2.gz DYKYTDRXQLZEDN-UHFFFAOYSA-N 0 2 273.296 0.311 40 0 CCABLN O=C(N[C@@H]1CN(Cc2ccsc2)C[C@H]1O)c1ccn[nH]1 ZINC000257323584 190034459 /nfs/dbraw/zinc/03/44/59/190034459.db2.gz WKZOKEVJZQECMJ-VXGBXAGGSA-N 0 2 292.364 0.446 40 0 CCABLN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](N)C(=O)OCC)c1C ZINC000031947345 348129393 /nfs/dbraw/zinc/12/93/93/348129393.db2.gz UMSSHFZUEJHCQM-SNVBAGLBSA-N 0 2 296.323 0.881 40 0 CCABLN CN1C(=O)CCC[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@H]21 ZINC000257325479 190033967 /nfs/dbraw/zinc/03/39/67/190033967.db2.gz WTBHUXGRMXNDMN-CMPLNLGQSA-N 0 2 276.340 0.883 40 0 CCABLN CN1C(=O)CCC[C@H]2CN(C(=O)c3ccn[nH]3)CC[C@H]21 ZINC000257325479 190033968 /nfs/dbraw/zinc/03/39/68/190033968.db2.gz WTBHUXGRMXNDMN-CMPLNLGQSA-N 0 2 276.340 0.883 40 0 CCABLN CO[C@@H]1CC[C@@H](NC(=O)CCc2ccnn2C)[C@H]1O ZINC000257325472 190034017 /nfs/dbraw/zinc/03/40/17/190034017.db2.gz 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/nfs/dbraw/zinc/96/04/51/347960451.db2.gz BQMFSDJSLBEUOG-UHFFFAOYSA-N 0 2 250.279 0.082 40 0 CCABLN COC(=O)CSc1nn2c(nc(C(C)(C)C)cc2=O)[nH]1 ZINC000010338663 388768128 /nfs/dbraw/zinc/76/81/28/388768128.db2.gz ABLNJTXSKNYIAF-UHFFFAOYSA-N 0 2 296.352 0.980 40 0 CCABLN CCS(=O)(=O)[C@H](CO)C(=O)c1ccc(N)cc1 ZINC000096518799 389063295 /nfs/dbraw/zinc/06/32/95/389063295.db2.gz POYOGAROVNKNCO-SNVBAGLBSA-N 0 2 257.311 0.247 40 0 CCABLN Cn1[nH]c([C@H]2CN(c3cnccn3)CCO2)cc1=O ZINC000100684934 349659284 /nfs/dbraw/zinc/65/92/84/349659284.db2.gz KSNKFKYIPNBDKE-SNVBAGLBSA-N 0 2 261.285 0.494 40 0 CCABLN O=c1[nH]c(=S)[nH]c(O)c1Nc1ccc(Cl)cc1 ZINC000001689636 347960948 /nfs/dbraw/zinc/96/09/48/347960948.db2.gz OGKNZEBUGIUACC-UHFFFAOYSA-N 0 2 269.713 0.651 40 0 CCABLN CS(=O)(=O)c1cn[nH]c1[C@H]1CCCN1c1cnccn1 ZINC000257242573 352552261 /nfs/dbraw/zinc/55/22/61/352552261.db2.gz IDDWIRWLMTWBEK-SECBINFHSA-N 0 2 293.352 0.945 40 0 CCABLN CC(C)Nc1cc(-c2ccncc2)[nH+]c(NCC(=O)[O-])n1 ZINC000329066370 354252238 /nfs/dbraw/zinc/25/22/38/354252238.db2.gz YAQXEDZWUSWBDB-UHFFFAOYSA-N 0 2 287.323 0.699 40 0 CCABLN O=C(CCc1cccnc1)N[C@@H]1CCCC[C@@H](O)[C@@H]1O ZINC000257325570 190033906 /nfs/dbraw/zinc/03/39/06/190033906.db2.gz WTOABOBRECZMCL-UMVBOHGHSA-N 0 2 278.352 0.795 40 0 CCABLN O=C(c1ccnnc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257325520 190034168 /nfs/dbraw/zinc/03/41/68/190034168.db2.gz WTHSQBBXCMXEHT-STQMWFEESA-N 0 2 287.323 0.511 40 0 CCABLN C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])S2)CC1 ZINC000225764963 530069306 /nfs/dbraw/zinc/06/93/06/530069306.db2.gz OJGOMRLLRCFQEF-DTWKUNHWSA-N 0 2 258.343 0.109 40 0 CCABLN CCn1c[nH+]c(C[C@@H](NC(=O)C(F)(F)F)C(=O)[O-])c1 ZINC000002028263 347965092 /nfs/dbraw/zinc/96/50/92/347965092.db2.gz GXKJVMQRGZWHFO-SSDOTTSWSA-N 0 2 279.218 0.577 40 0 CCABLN CCS(=O)(=O)[C@@H](CO)C(=O)c1ccc(C)cc1 ZINC000096518806 389063195 /nfs/dbraw/zinc/06/31/95/389063195.db2.gz WSQRFIIVWCYBFE-NSHDSACASA-N 0 2 256.323 0.973 40 0 CCABLN CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN1c1cnccn1 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348028422 /nfs/dbraw/zinc/02/84/22/348028422.db2.gz SJDUPPKCQWZEPY-UHFFFAOYSA-N 0 2 255.299 0.676 40 0 CCABLN CS(=O)(=O)c1cn[nH]c1[C@H]1CCN(C(=O)CC2CC2)C1 ZINC000257254005 190020715 /nfs/dbraw/zinc/02/07/15/190020715.db2.gz KBEVXTTVLDZWIM-JTQLQIEISA-N 0 2 297.380 0.929 40 0 CCABLN O=S(=O)(NC(=S)N1CCOCC1)c1ccccc1 ZINC000005375792 170090806 /nfs/dbraw/zinc/09/08/06/170090806.db2.gz YIQJKBHUKBFZOC-UHFFFAOYSA-N 0 2 286.378 0.582 40 0 CCABLN Cc1c(NS(=O)(=O)c2cnn(C)c2)cnn1C ZINC000002803429 347973020 /nfs/dbraw/zinc/97/30/20/347973020.db2.gz BLDHKANDLPRWMW-UHFFFAOYSA-N 0 2 255.303 0.263 40 0 CCABLN O=C([O-])c1cnc(NCCCn2cc[nH+]c2)[nH]c1=O ZINC000217673227 351950126 /nfs/dbraw/zinc/95/01/26/351950126.db2.gz FWUZOMKNPSXREZ-UHFFFAOYSA-N 0 2 263.257 0.167 40 0 CCABLN CCS(=O)(=O)[C@H](CO)C(=O)c1cccc(C)c1 ZINC000096518819 389063287 /nfs/dbraw/zinc/06/32/87/389063287.db2.gz WVSXHUSQBAGTTF-LLVKDONJSA-N 0 2 256.323 0.973 40 0 CCABLN CS(=O)(=O)[C@H](CO)C(=O)c1ccc(Cl)cc1 ZINC000096518753 389063299 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C[NH+]1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000006706851 170231011 /nfs/dbraw/zinc/23/10/11/170231011.db2.gz WZKJPRYLQSMKJS-UHFFFAOYSA-N 0 2 297.380 0.446 40 0 CCABLN COC(=O)CSc1nnc(NS(C)(=O)=O)s1 ZINC000224653068 327938633 /nfs/dbraw/zinc/93/86/33/327938633.db2.gz XFYUKGOZSQZSCP-UHFFFAOYSA-N 0 2 283.356 0.175 40 0 CCABLN CCCC[S@](=N)(=O)CC[C@@H]([NH3+])[P@@](=O)([O-])O ZINC000017140279 388790428 /nfs/dbraw/zinc/79/04/28/388790428.db2.gz OJAKPNGDSHOYDI-ZIDLFYJRSA-N 0 2 258.280 0.686 40 0 CCABLN CCCC[S@](=N)(=O)CC[C@@H]([NH3+])[P@](=O)([O-])O ZINC000017140279 388790431 /nfs/dbraw/zinc/79/04/31/388790431.db2.gz OJAKPNGDSHOYDI-ZIDLFYJRSA-N 0 2 258.280 0.686 40 0 CCABLN C[NH+]1CCN(c2c(Cl)cncc2S(=O)(=O)[O-])CC1 ZINC000072210817 388960698 /nfs/dbraw/zinc/96/06/98/388960698.db2.gz NYEUYOFKOPCZEI-UHFFFAOYSA-N 0 2 291.760 0.734 40 0 CCABLN NC(=O)C[C@@H]1CCCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650765423 397755090 /nfs/dbraw/zinc/75/50/90/397755090.db2.gz NRYFSPWABPFWCY-VIFPVBQESA-N 0 2 263.297 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