smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)nn1 ZINC001434568252 891130581 /nfs/dbraw/zinc/13/05/81/891130581.db2.gz GISMTOLELOFPQH-UHFFFAOYSA-N -2 3 285.285 -1.018 20 0 CAADHL Cc1nc2cc[n-]n2c(=O)c1CC(=O)[N-]OCCO ZINC001320568071 884432998 /nfs/dbraw/zinc/43/29/98/884432998.db2.gz QBBSJUQZLCADHA-UHFFFAOYSA-N -2 3 266.257 -1.086 20 0 CAADHL CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cnncc1[O-] ZINC001362902980 886741047 /nfs/dbraw/zinc/74/10/47/886741047.db2.gz RXVDKFCCIYDEQQ-UHFFFAOYSA-N -2 3 288.285 -1.622 20 0 CAADHL CS(C)(=O)=NS(=O)(=O)[N-]CCc1nc(=O)o[n-]1 ZINC001364856889 887145799 /nfs/dbraw/zinc/14/57/99/887145799.db2.gz QILVBLSEABMDRC-UHFFFAOYSA-N -2 3 284.319 -1.533 20 0 CAADHL O=C(CCc1nnn[n-]1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001417719268 890164857 /nfs/dbraw/zinc/16/48/57/890164857.db2.gz AUGNKICEPOMZFI-LURJTMIESA-N -2 3 295.332 -1.038 20 0 CAADHL O=C(CCc1nnn[n-]1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001417719268 890164860 /nfs/dbraw/zinc/16/48/60/890164860.db2.gz AUGNKICEPOMZFI-LURJTMIESA-N -2 3 295.332 -1.038 20 0 CAADHL O=C(CCc1nn[n-]n1)N1CCSC[C@H]1c1nnn[n-]1 ZINC001417719268 890164863 /nfs/dbraw/zinc/16/48/63/890164863.db2.gz AUGNKICEPOMZFI-LURJTMIESA-N -2 3 295.332 -1.038 20 0 CAADHL O=C(CCc1nn[n-]n1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001417719268 890164865 /nfs/dbraw/zinc/16/48/65/890164865.db2.gz AUGNKICEPOMZFI-LURJTMIESA-N -2 3 295.332 -1.038 20 0 CAADHL CS(=O)(=O)CCC(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001418626034 890246371 /nfs/dbraw/zinc/24/63/71/890246371.db2.gz UJNWASBXDXAIBK-UHFFFAOYSA-N -2 3 275.286 -1.061 20 0 CAADHL O=C(CCCc1nnn[n-]1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001433664913 891044614 /nfs/dbraw/zinc/04/46/14/891044614.db2.gz NHGMOZMICRYJOJ-ZETCQYMHSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nnn[n-]1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001433664913 891044621 /nfs/dbraw/zinc/04/46/21/891044621.db2.gz NHGMOZMICRYJOJ-ZETCQYMHSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nn[n-]n1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001433664913 891044627 /nfs/dbraw/zinc/04/46/27/891044627.db2.gz NHGMOZMICRYJOJ-ZETCQYMHSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nn[n-]n1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001433664913 891044630 /nfs/dbraw/zinc/04/46/30/891044630.db2.gz NHGMOZMICRYJOJ-ZETCQYMHSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nnn[n-]1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001433664912 891044727 /nfs/dbraw/zinc/04/47/27/891044727.db2.gz NHGMOZMICRYJOJ-SSDOTTSWSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nnn[n-]1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001433664912 891044734 /nfs/dbraw/zinc/04/47/34/891044734.db2.gz NHGMOZMICRYJOJ-SSDOTTSWSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nn[n-]n1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001433664912 891044740 /nfs/dbraw/zinc/04/47/40/891044740.db2.gz NHGMOZMICRYJOJ-SSDOTTSWSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nn[n-]n1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001433664912 891044744 /nfs/dbraw/zinc/04/47/44/891044744.db2.gz NHGMOZMICRYJOJ-SSDOTTSWSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nnn[n-]1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001434273305 891097645 /nfs/dbraw/zinc/09/76/45/891097645.db2.gz BWDNUGYZYKCSGU-SSDOTTSWSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nnn[n-]1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001434273305 891097649 /nfs/dbraw/zinc/09/76/49/891097649.db2.gz BWDNUGYZYKCSGU-SSDOTTSWSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nn[n-]n1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001434273305 891097658 /nfs/dbraw/zinc/09/76/58/891097658.db2.gz BWDNUGYZYKCSGU-SSDOTTSWSA-N -2 3 293.291 -1.364 20 0 CAADHL O=C(CCCc1nn[n-]n1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001434273305 891097665 /nfs/dbraw/zinc/09/76/65/891097665.db2.gz BWDNUGYZYKCSGU-SSDOTTSWSA-N -2 3 293.291 -1.364 20 0 CAADHL COC[C@@H](NC(=O)c1c[n-]ncc1=O)c1nnn[n-]1 ZINC001455729142 892050853 /nfs/dbraw/zinc/05/08/53/892050853.db2.gz LPZUSIZEWOWQGI-ZCFIWIBFSA-N -2 3 265.233 -1.187 20 0 CAADHL COC[C@@H](NC(=O)c1c[n-]ncc1=O)c1nn[n-]n1 ZINC001455729142 892050866 /nfs/dbraw/zinc/05/08/66/892050866.db2.gz LPZUSIZEWOWQGI-ZCFIWIBFSA-N -2 3 265.233 -1.187 20 0 CAADHL COC[C@@H](NC(=O)c1cnncc1[O-])c1nnn[n-]1 ZINC001455729142 892050899 /nfs/dbraw/zinc/05/08/99/892050899.db2.gz LPZUSIZEWOWQGI-ZCFIWIBFSA-N -2 3 265.233 -1.187 20 0 CAADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1nncn1C ZINC001464017368 892178933 /nfs/dbraw/zinc/17/89/33/892178933.db2.gz SOEORYKWNJYXJU-UHFFFAOYSA-N -2 3 263.279 -1.839 20 0 CAADHL CCn1[n-]nnc1=NC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001466547327 892230773 /nfs/dbraw/zinc/23/07/73/892230773.db2.gz MZOWVGWUATXOAV-SSDOTTSWSA-N -2 3 280.292 -1.252 20 0 CAADHL O=C(NCCc1nc(=O)o[n-]1)c1cnncc1[O-] ZINC001467598341 892252177 /nfs/dbraw/zinc/25/21/77/892252177.db2.gz OKKYEUZMIKQPIP-UHFFFAOYSA-N -2 3 251.202 -1.169 20 0 CAADHL O=C(NCCc1nc(=O)o[n-]1)c1cc(=O)[n-]cn1 ZINC001556410569 894577176 /nfs/dbraw/zinc/57/71/76/894577176.db2.gz SOSIKHQHRSIBFX-UHFFFAOYSA-N -2 3 251.202 -1.169 20 0 CAADHL O=C([O-])COCC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001595108290 951898501 /nfs/dbraw/zinc/89/85/01/951898501.db2.gz RFAGMUWAAAFTRQ-QMMMGPOBSA-N -2 3 296.283 -1.022 20 0 CAADHL O=C([O-])COCC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001595108289 951898520 /nfs/dbraw/zinc/89/85/20/951898520.db2.gz RFAGMUWAAAFTRQ-MRVPVSSYSA-N -2 3 296.283 -1.022 20 0 CAADHL COC(=O)Cc1n[n-]c(NC(=O)[C@@H](OC)C(=O)[O-])n1 ZINC001593853003 955474967 /nfs/dbraw/zinc/47/49/67/955474967.db2.gz AWHOFQNIMTUCCM-ZCFIWIBFSA-N -2 3 272.217 -1.442 20 0 CAADHL COC(=O)Cc1nc(NC(=O)[C@@H](OC)C(=O)[O-])n[n-]1 ZINC001593853003 955474977 /nfs/dbraw/zinc/47/49/77/955474977.db2.gz AWHOFQNIMTUCCM-ZCFIWIBFSA-N -2 3 272.217 -1.442 20 0 CAADHL C[C@@](O)(C[N-]S(=O)(=O)Cc1ccon1)C(=O)[O-] ZINC001589148300 956320296 /nfs/dbraw/zinc/32/02/96/956320296.db2.gz PULDPJULSSSIHN-MRVPVSSYSA-N -2 3 264.259 -1.070 20 0 CAADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cn(CC(=O)[O-])nn1 ZINC001589256302 956992816 /nfs/dbraw/zinc/99/28/16/956992816.db2.gz CBSMPRKKTUGRNY-SSDOTTSWSA-N -2 3 294.271 -1.396 20 0 CAADHL Cn1ncc(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])n1 ZINC000389842924 972251714 /nfs/dbraw/zinc/25/17/14/972251714.db2.gz YVCFHGQVNAANKP-UHFFFAOYSA-N -2 3 286.273 -1.285 20 0 CAADHL COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037226214 957266443 /nfs/dbraw/zinc/26/64/43/957266443.db2.gz HROMPGVWRQQASA-RXMQYKEDSA-N -2 3 293.253 -1.210 20 0 CAADHL CNC(=O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037731943 957323126 /nfs/dbraw/zinc/32/31/26/957323126.db2.gz LDLGAPAKOFULIL-UHFFFAOYSA-N -2 3 262.247 -1.868 20 0 CAADHL CC(C)NC(=O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732038 957323659 /nfs/dbraw/zinc/32/36/59/957323659.db2.gz TWBAADBYESVIGX-UHFFFAOYSA-N -2 3 290.301 -1.089 20 0 CAADHL CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000042571072 957422367 /nfs/dbraw/zinc/42/23/67/957422367.db2.gz MRQIEGPPDJBXHF-SCSAIBSYSA-N -2 3 276.274 -1.479 20 0 CAADHL O=C([O-])CS(=O)(=O)CCN1CC[C@@H](c2nnn[n-]2)C1 ZINC001574738689 957680376 /nfs/dbraw/zinc/68/03/76/957680376.db2.gz HHGNSXDIZZNGBV-SSDOTTSWSA-N -2 3 289.317 -1.512 20 0 CAADHL O=C([O-])CS(=O)(=O)CCN1CC[C@@H](c2nn[n-]n2)C1 ZINC001574738689 957680382 /nfs/dbraw/zinc/68/03/82/957680382.db2.gz HHGNSXDIZZNGBV-SSDOTTSWSA-N -2 3 289.317 -1.512 20 0 CAADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(N)=O ZINC000134676005 958847276 /nfs/dbraw/zinc/84/72/76/958847276.db2.gz SACAJLKTHVJFSQ-VKHMYHEASA-N -2 3 279.299 -1.007 20 0 CAADHL Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001573691638 959786008 /nfs/dbraw/zinc/78/60/08/959786008.db2.gz YMJMEJUQCKNGGM-POYBYMJQSA-N -2 3 282.256 -1.156 20 0 CAADHL Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CC(C(=O)[O-])=NO1 ZINC001573691639 959786061 /nfs/dbraw/zinc/78/60/61/959786061.db2.gz YMJMEJUQCKNGGM-SVRRBLITSA-N -2 3 282.256 -1.156 20 0 CAADHL Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC(C(=O)[O-])=NO1 ZINC001573691637 959786398 /nfs/dbraw/zinc/78/63/98/959786398.db2.gz YMJMEJUQCKNGGM-HTRCEHHLSA-N -2 3 282.256 -1.156 20 0 CAADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCOCCO ZINC000230765677 960162899 /nfs/dbraw/zinc/16/28/99/960162899.db2.gz AGCLBUJOSCPARL-UHFFFAOYSA-N -2 3 293.301 -1.215 20 0 CAADHL COc1nc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)n[n-]1 ZINC001574244698 960485945 /nfs/dbraw/zinc/48/59/45/960485945.db2.gz RVBCEJPZCGMJPH-SCSAIBSYSA-N -2 3 255.190 -1.019 20 0 CAADHL COc1n[n-]c(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)n1 ZINC001574244698 960485950 /nfs/dbraw/zinc/48/59/50/960485950.db2.gz RVBCEJPZCGMJPH-SCSAIBSYSA-N -2 3 255.190 -1.019 20 0 CAADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCNC2=O)c1C(=O)[O-] ZINC001571034710 960511103 /nfs/dbraw/zinc/51/11/03/960511103.db2.gz RIGBADQGTNQUKB-YFKPBYRVSA-N -2 3 288.285 -1.417 20 0 CAADHL Cn1cnnc1S(=O)(=O)[N-]C1(C(=O)[O-])CC(CO)C1 ZINC001571038130 960547782 /nfs/dbraw/zinc/54/77/82/960547782.db2.gz HGSFEFAIHJUANF-UHFFFAOYSA-N -2 3 290.301 -1.681 20 0 CAADHL COC(=O)[C@@H](F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])[nH]n1 ZINC001571055205 960714670 /nfs/dbraw/zinc/71/46/70/960714670.db2.gz REWYODRSAXGXDX-BYPYZUCNSA-N -2 3 295.248 -1.103 20 0 CAADHL CCOC(=O)c1nnc(CNC(=O)COCC(=O)[O-])[n-]1 ZINC001573905926 961457374 /nfs/dbraw/zinc/45/73/74/961457374.db2.gz WIJHEILDNJTCPS-UHFFFAOYSA-N -2 3 286.244 -1.301 20 0 CAADHL Cn1[n-]c(CN2C[C@H]3COC[C@@]3(C(=O)[O-])C2)nc1=O ZINC001574467554 961585113 /nfs/dbraw/zinc/58/51/13/961585113.db2.gz DEDCRTMDDAQQDH-CPCISQLKSA-N -2 3 268.273 -1.359 20 0 CAADHL O=C([O-])[C@]1([N-]S(=O)(=O)[C@@H]2COC[C@H]2O)CCOC1 ZINC001574640018 962336998 /nfs/dbraw/zinc/33/69/98/962336998.db2.gz HNOFDGYOLQFADH-BHNWBGBOSA-N -2 3 281.286 -2.091 20 0 CAADHL CO[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001574102621 962408293 /nfs/dbraw/zinc/40/82/93/962408293.db2.gz XINIIOUYBGUNLD-GMSGAONNSA-N -2 3 296.283 -1.023 20 0 CAADHL O=C([O-])CNC(=O)CN1CC[C@@H](c2nnn[n-]2)C1 ZINC001574726894 962814534 /nfs/dbraw/zinc/81/45/34/962814534.db2.gz JIZNLQFNQSRECJ-ZCFIWIBFSA-N -2 3 254.250 -1.810 20 0 CAADHL O=C([O-])CNC(=O)CN1CC[C@@H](c2nn[n-]n2)C1 ZINC001574726894 962814543 /nfs/dbraw/zinc/81/45/43/962814543.db2.gz JIZNLQFNQSRECJ-ZCFIWIBFSA-N -2 3 254.250 -1.810 20 0 CAADHL Cn1cnnc1S(=O)(=O)[N-]C[C@H]1C[C@H]1C(=O)[O-] ZINC001570976945 963060565 /nfs/dbraw/zinc/06/05/65/963060565.db2.gz QEVOZGJWVSZAKF-PHDIDXHHSA-N -2 3 260.275 -1.186 20 0 CAADHL COCC[C@@H](CO)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000302327482 963074699 /nfs/dbraw/zinc/07/46/99/963074699.db2.gz RUDBCUFGLNLUBN-LURJTMIESA-N -2 3 293.301 -1.216 20 0 CAADHL O=C([O-])C1(CS(=O)(=O)[N-][C@@H]2COC[C@H]2O)CC1 ZINC001570984470 963112018 /nfs/dbraw/zinc/11/20/18/963112018.db2.gz FWJRSRITZBXWPT-RNFRBKRXSA-N -2 3 265.287 -1.470 20 0 CAADHL Cn1cnnc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-] ZINC001570987832 963129428 /nfs/dbraw/zinc/12/94/28/963129428.db2.gz YEMFQGUOJQECQS-YFKPBYRVSA-N -2 3 266.254 -1.094 20 0 CAADHL COC(=O)CC[C@H](NC(=O)c1cn[n-]n1)C(=O)[O-] ZINC000168761355 967678852 /nfs/dbraw/zinc/67/88/52/967678852.db2.gz SUUZEOYEUYJJEZ-YFKPBYRVSA-N -2 3 256.218 -1.059 20 0 CAADHL 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891995614 /nfs/dbraw/zinc/99/56/14/891995614.db2.gz GBFAPWMSJFRZMK-UHFFFAOYSA-N -2 3 250.218 -1.054 20 0 CAADHL O=C(CCc1nnn[n-]1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454552778 892007976 /nfs/dbraw/zinc/00/79/76/892007976.db2.gz HVUDFQGKLWQGML-ZCFIWIBFSA-N -2 3 279.264 -1.755 20 0 CAADHL O=C(CCc1nnn[n-]1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001454552778 892007989 /nfs/dbraw/zinc/00/79/89/892007989.db2.gz HVUDFQGKLWQGML-ZCFIWIBFSA-N -2 3 279.264 -1.755 20 0 CAADHL O=C(CCc1nn[n-]n1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001454552778 892008000 /nfs/dbraw/zinc/00/80/00/892008000.db2.gz HVUDFQGKLWQGML-ZCFIWIBFSA-N -2 3 279.264 -1.755 20 0 CAADHL O=C(CCc1nn[n-]n1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001454552778 892008018 /nfs/dbraw/zinc/00/80/18/892008018.db2.gz HVUDFQGKLWQGML-ZCFIWIBFSA-N -2 3 279.264 -1.755 20 0 CAADHL O=C(CCc1nnn[n-]1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454552776 892008318 /nfs/dbraw/zinc/00/83/18/892008318.db2.gz HVUDFQGKLWQGML-LURJTMIESA-N -2 3 279.264 -1.755 20 0 CAADHL O=C(CCc1nnn[n-]1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001454552776 892008334 /nfs/dbraw/zinc/00/83/34/892008334.db2.gz HVUDFQGKLWQGML-LURJTMIESA-N -2 3 279.264 -1.755 20 0 CAADHL O=C(CCc1nn[n-]n1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001454552776 892008350 /nfs/dbraw/zinc/00/83/50/892008350.db2.gz HVUDFQGKLWQGML-LURJTMIESA-N -2 3 279.264 -1.755 20 0 CAADHL O=C(CCc1nn[n-]n1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001454552776 892008364 /nfs/dbraw/zinc/00/83/64/892008364.db2.gz HVUDFQGKLWQGML-LURJTMIESA-N -2 3 279.264 -1.755 20 0 CAADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC001464699233 892190551 /nfs/dbraw/zinc/19/05/51/892190551.db2.gz WQXOLJDSBZQSIH-UHFFFAOYSA-N -2 3 260.275 -1.259 20 0 CAADHL O=C(CCc1nnn[n-]1)NC1(c2nnn[n-]2)CCC1 ZINC001558173217 894616332 /nfs/dbraw/zinc/61/63/32/894616332.db2.gz HFXSHTIJZOLATF-UHFFFAOYSA-N -2 3 263.265 -1.159 20 0 CAADHL O=C(CCc1nnn[n-]1)NC1(c2nn[n-]n2)CCC1 ZINC001558173217 894616336 /nfs/dbraw/zinc/61/63/36/894616336.db2.gz HFXSHTIJZOLATF-UHFFFAOYSA-N -2 3 263.265 -1.159 20 0 CAADHL O=C(CCc1nn[n-]n1)NC1(c2nnn[n-]2)CCC1 ZINC001558173217 894616341 /nfs/dbraw/zinc/61/63/41/894616341.db2.gz HFXSHTIJZOLATF-UHFFFAOYSA-N -2 3 263.265 -1.159 20 0 CAADHL O=C(CCc1nn[n-]n1)NC1(c2nn[n-]n2)CCC1 ZINC001558173217 894616342 /nfs/dbraw/zinc/61/63/42/894616342.db2.gz HFXSHTIJZOLATF-UHFFFAOYSA-N -2 3 263.265 -1.159 20 0 CAADHL CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000322494618 970894493 /nfs/dbraw/zinc/89/44/93/970894493.db2.gz DMDBYSIQDARQHC-YFKPBYRVSA-N -2 3 290.301 -1.089 20 0 CAADHL Cc1n[n-]c(S(=O)(=O)CCS(=O)(=O)CC(=O)[O-])n1 ZINC001611260261 970959399 /nfs/dbraw/zinc/95/93/99/970959399.db2.gz ZBQURUPZBYSIIQ-UHFFFAOYSA-N -2 3 297.314 -1.614 20 0 CAADHL Cc1nnc(S(=O)(=O)CCS(=O)(=O)CC(=O)[O-])[n-]1 ZINC001611260261 970959408 /nfs/dbraw/zinc/95/94/08/970959408.db2.gz ZBQURUPZBYSIIQ-UHFFFAOYSA-N -2 3 297.314 -1.614 20 0 CAADHL Cc1nc(S(=O)(=O)CCS(=O)(=O)CC(=O)[O-])n[n-]1 ZINC001611260261 970959414 /nfs/dbraw/zinc/95/94/14/970959414.db2.gz ZBQURUPZBYSIIQ-UHFFFAOYSA-N -2 3 297.314 -1.614 20 0 CAADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1COC[C@H]1O ZINC000323120177 970969495 /nfs/dbraw/zinc/96/94/95/970969495.db2.gz ALFOOOVJXZYXDO-RFZPGFLSSA-N -2 3 294.310 -1.121 20 0 CAADHL COc1ncc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])s1 ZINC000380040455 971671792 /nfs/dbraw/zinc/67/17/92/971671792.db2.gz RSMVDKRLUAKGRV-BYPYZUCNSA-N -2 3 282.299 -1.125 20 0 CAADHL O=C([O-])CN1CC[C@@H](N2CC[C@@H](c3nn[n-]n3)C2)C1=O ZINC001595074647 951635143 /nfs/dbraw/zinc/63/51/43/951635143.db2.gz VNTOHJJMYLRYBP-HTQZYQBOSA-N -2 3 280.288 -1.326 20 0 CAADHL O=C([O-])COCC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001595108074 951895344 /nfs/dbraw/zinc/89/53/44/951895344.db2.gz HBHARRSZGJKRDC-UHFFFAOYSA-N -2 3 257.246 -1.140 20 0 CAADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCn1cnnc1 ZINC000381893820 971785854 /nfs/dbraw/zinc/78/58/54/971785854.db2.gz KEGNARKHOQSAKO-UHFFFAOYSA-N -2 3 286.273 -1.322 20 0 CAADHL COC(=O)Cc1n[n-]c(NC(=O)[C@H](OC)C(=O)[O-])n1 ZINC001593853002 955474548 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CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732058 957323607 /nfs/dbraw/zinc/32/36/07/957323607.db2.gz SXKMKCHJIUNXDC-RXMQYKEDSA-N -2 3 290.301 -1.089 20 0 CAADHL CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732059 957323627 /nfs/dbraw/zinc/32/36/27/957323627.db2.gz SXKMKCHJIUNXDC-YFKPBYRVSA-N -2 3 290.301 -1.089 20 0 CAADHL CC(=O)NCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732028 957323764 /nfs/dbraw/zinc/32/37/64/957323764.db2.gz NMALYNYWEMDUBO-UHFFFAOYSA-N -2 3 276.274 -1.478 20 0 CAADHL CCOC(=O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732232 957323963 /nfs/dbraw/zinc/32/39/63/957323963.db2.gz XNWNMGVUNMOHBT-UHFFFAOYSA-N -2 3 277.258 -1.051 20 0 CAADHL COC[C@@H](O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000071271707 957715387 /nfs/dbraw/zinc/71/53/87/957715387.db2.gz UJCLHDDUXJDODZ-YFKPBYRVSA-N -2 3 279.274 -1.607 20 0 CAADHL Cc1nc(C)c(CCC(=O)NC[C@H](O)C(=O)[O-])c(=O)[n-]1 ZINC000090262225 958103752 /nfs/dbraw/zinc/10/37/52/958103752.db2.gz 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