smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1)N1CCOCC1 ZINC000010207261 1072194876 /nfs/dbraw/zinc/19/48/76/1072194876.db2.gz OOZCLVBZAMKIRI-UHFFFAOYSA-N -1 0 392.368 -0.556 20 5 GBBDRM Cn1cc(S(=O)(=O)NCCNc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000015332882 1073742142 /nfs/dbraw/zinc/74/21/42/1073742142.db2.gz MZWFZGVEHAGECJ-UHFFFAOYSA-N -1 0 383.386 -0.617 20 5 GBBDRM Cn1cc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000015335492 1073742275 /nfs/dbraw/zinc/74/22/75/1073742275.db2.gz RNFNNAUCIKLLPY-UHFFFAOYSA-N -1 0 383.386 -0.617 20 5 GBBDRM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262268094 1072596490 /nfs/dbraw/zinc/59/64/90/1072596490.db2.gz XPHCCUXKIKMYMX-LLVKDONJSA-N -1 0 380.357 -0.462 20 5 GBBDRM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262268101 1072596781 /nfs/dbraw/zinc/59/67/81/1072596781.db2.gz XPHCCUXKIKMYMX-NSHDSACASA-N -1 0 380.357 -0.462 20 5 GBBDRM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262556101 1073535721 /nfs/dbraw/zinc/53/57/21/1073535721.db2.gz WOPWVIKNAQQTMS-UHFFFAOYSA-N -1 0 380.357 -0.462 20 5 GBBDRM O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000264048000 1072339488 /nfs/dbraw/zinc/33/94/88/1072339488.db2.gz LMFYAQKIKAAWQU-AAEUAGOBSA-N -1 0 385.398 -0.472 20 5 GBBDRM O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000264048006 1072339311 /nfs/dbraw/zinc/33/93/11/1072339311.db2.gz LMFYAQKIKAAWQU-YPMHNXCESA-N -1 0 385.398 -0.472 20 5 GBBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000268887074 600170979 /nfs/dbraw/zinc/17/09/79/600170979.db2.gz GSGQWTFWCBCTKK-SECBINFHSA-N -1 0 399.381 -0.332 20 5 GBBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000268887077 600170964 /nfs/dbraw/zinc/17/09/64/600170964.db2.gz GSGQWTFWCBCTKK-VIFPVBQESA-N -1 0 399.381 -0.332 20 5 GBBDRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000269123108 1073592451 /nfs/dbraw/zinc/59/24/51/1073592451.db2.gz JTQMVCQKGYDMJC-DGCLKSJQSA-N -1 0 385.398 -0.472 20 5 GBBDRM NS(=O)(=O)c1ccc(NCCC(=O)N2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000269219874 597503703 /nfs/dbraw/zinc/50/37/03/597503703.db2.gz ZXJIDCOQXWLZHV-SECBINFHSA-N -1 0 386.386 -0.023 20 5 GBBDRM NS(=O)(=O)c1ccc(NCCC(=O)N2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000269219875 597503833 /nfs/dbraw/zinc/50/38/33/597503833.db2.gz ZXJIDCOQXWLZHV-VIFPVBQESA-N -1 0 386.386 -0.023 20 5 GBBDRM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000273638972 530113248 /nfs/dbraw/zinc/11/32/48/530113248.db2.gz BNHKCKNDXPZTOQ-JTQLQIEISA-N -1 0 375.384 -0.116 20 5 GBBDRM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000273638975 530113265 /nfs/dbraw/zinc/11/32/65/530113265.db2.gz BNHKCKNDXPZTOQ-SNVBAGLBSA-N -1 0 375.384 -0.116 20 5 GBBDRM COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)OC ZINC000273652366 1072429639 /nfs/dbraw/zinc/42/96/39/1072429639.db2.gz GTUXJRIAPPDFRK-JTQLQIEISA-N -1 0 390.326 -0.324 20 5 GBBDRM COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(=O)OC ZINC000273652369 1072429498 /nfs/dbraw/zinc/42/94/98/1072429498.db2.gz GTUXJRIAPPDFRK-SNVBAGLBSA-N -1 0 390.326 -0.324 20 5 GBBDRM NC(=O)C1(CNS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCOCC1 ZINC000273699165 1072430433 /nfs/dbraw/zinc/43/04/33/1072430433.db2.gz NIGSUNZHODKXNQ-UHFFFAOYSA-N -1 0 387.370 -0.147 20 5 GBBDRM CCS(=O)(=O)NCCCNS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000273743676 530113098 /nfs/dbraw/zinc/11/30/98/530113098.db2.gz UEDUBOQBTVMVIS-UHFFFAOYSA-N -1 0 395.415 -0.099 20 5 GBBDRM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274642060 1072134751 /nfs/dbraw/zinc/13/47/51/1072134751.db2.gz FOPNJOOSYINXQE-CHWSQXEVSA-N -1 0 385.398 -0.472 20 5 GBBDRM O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274642062 1072134693 /nfs/dbraw/zinc/13/46/93/1072134693.db2.gz FOPNJOOSYINXQE-OLZOCXBDSA-N -1 0 385.398 -0.472 20 5 GBBDRM O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274642064 1072134621 /nfs/dbraw/zinc/13/46/21/1072134621.db2.gz FOPNJOOSYINXQE-QWHCGFSZSA-N -1 0 385.398 -0.472 20 5 GBBDRM O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274642066 1072134674 /nfs/dbraw/zinc/13/46/74/1072134674.db2.gz FOPNJOOSYINXQE-STQMWFEESA-N -1 0 385.398 -0.472 20 5 GBBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000274649665 1072136969 /nfs/dbraw/zinc/13/69/69/1072136969.db2.gz DHDMWUQPPFTYKW-CHWSQXEVSA-N -1 0 385.398 -0.784 20 5 GBBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000274649668 1072136826 /nfs/dbraw/zinc/13/68/26/1072136826.db2.gz DHDMWUQPPFTYKW-OLZOCXBDSA-N -1 0 385.398 -0.784 20 5 GBBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000274649674 1072136846 /nfs/dbraw/zinc/13/68/46/1072136846.db2.gz DHDMWUQPPFTYKW-QWHCGFSZSA-N -1 0 385.398 -0.784 20 5 GBBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000274649679 1072373304 /nfs/dbraw/zinc/37/33/04/1072373304.db2.gz DHDMWUQPPFTYKW-STQMWFEESA-N -1 0 385.398 -0.784 20 5 GBBDRM O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274660162 1072141579 /nfs/dbraw/zinc/14/15/79/1072141579.db2.gz DKUQXKYFKQPFPU-GFCCVEGCSA-N -1 0 378.385 -0.037 20 5 GBBDRM O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274660164 1072956997 /nfs/dbraw/zinc/95/69/97/1072956997.db2.gz DKUQXKYFKQPFPU-LBPRGKRZSA-N -1 0 378.385 -0.037 20 5 GBBDRM C[C@@H](CN(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000274797665 1072189546 /nfs/dbraw/zinc/18/95/46/1072189546.db2.gz RQUXTLWPJGRFLW-JTQLQIEISA-N -1 0 397.417 -0.010 20 5 GBBDRM C[C@H](CN(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000274797666 1072189645 /nfs/dbraw/zinc/18/96/45/1072189645.db2.gz RQUXTLWPJGRFLW-SNVBAGLBSA-N -1 0 397.417 -0.010 20 5 GBBDRM O=C(CN1CCOCC1)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274885783 1072223244 /nfs/dbraw/zinc/22/32/44/1072223244.db2.gz JYLRYZFRIBONPW-UHFFFAOYSA-N -1 0 379.373 -0.688 20 5 GBBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000274932858 1072227121 /nfs/dbraw/zinc/22/71/21/1072227121.db2.gz DMGMXLQXSFKGQU-SECBINFHSA-N -1 0 387.370 -0.185 20 5 GBBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000274932859 1072226826 /nfs/dbraw/zinc/22/68/26/1072226826.db2.gz DMGMXLQXSFKGQU-VIFPVBQESA-N -1 0 387.370 -0.185 20 5 GBBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1C[C@H](C(=O)[O-])CC1=O ZINC000274953771 1072228797 /nfs/dbraw/zinc/22/87/97/1072228797.db2.gz IFMARMHKWAQHOB-SECBINFHSA-N -1 0 387.370 -0.185 20 5 GBBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000274953773 1072228696 /nfs/dbraw/zinc/22/86/96/1072228696.db2.gz IFMARMHKWAQHOB-VIFPVBQESA-N -1 0 387.370 -0.185 20 5 GBBDRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000274953790 1072228507 /nfs/dbraw/zinc/22/85/07/1072228507.db2.gz IFRQXEFSPMLWCC-GFCCVEGCSA-N -1 0 385.398 -0.010 20 5 GBBDRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000274953792 1072228703 /nfs/dbraw/zinc/22/87/03/1072228703.db2.gz IFRQXEFSPMLWCC-LBPRGKRZSA-N -1 0 385.398 -0.010 20 5 GBBDRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000274953917 530131105 /nfs/dbraw/zinc/13/11/05/530131105.db2.gz IJNKGNPGBRPLSG-MRVPVSSYSA-N -1 0 375.334 -0.055 20 5 GBBDRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000274953919 530357466 /nfs/dbraw/zinc/35/74/66/530357466.db2.gz IJNKGNPGBRPLSG-QMMMGPOBSA-N -1 0 375.334 -0.055 20 5 GBBDRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000274967285 530130941 /nfs/dbraw/zinc/13/09/41/530130941.db2.gz BYGDTGMOLJGFLF-LLVKDONJSA-N -1 0 392.411 -0.002 20 5 GBBDRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000274967289 530113647 /nfs/dbraw/zinc/11/36/47/530113647.db2.gz BYGDTGMOLJGFLF-NSHDSACASA-N -1 0 392.411 -0.002 20 5 GBBDRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000274973820 530130768 /nfs/dbraw/zinc/13/07/68/530130768.db2.gz CNQQKSYINKRKOE-MRVPVSSYSA-N -1 0 382.347 -0.394 20 5 GBBDRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000274973821 530130972 /nfs/dbraw/zinc/13/09/72/530130972.db2.gz CNQQKSYINKRKOE-QMMMGPOBSA-N -1 0 382.347 -0.394 20 5 GBBDRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000274990183 530451462 /nfs/dbraw/zinc/45/14/62/530451462.db2.gz FAAFVGUGWYTYTJ-LLVKDONJSA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000274990187 530452317 /nfs/dbraw/zinc/45/23/17/530452317.db2.gz FAAFVGUGWYTYTJ-NSHDSACASA-N -1 0 378.384 -0.224 20 5 GBBDRM O=C([O-])[C@@H]1CC(=O)N(CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000275015528 530466312 /nfs/dbraw/zinc/46/63/12/530466312.db2.gz QSDDLNSTSSYDEH-MRVPVSSYSA-N -1 0 375.334 -0.055 20 5 GBBDRM O=C([O-])[C@H]1CC(=O)N(CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000275015530 530131047 /nfs/dbraw/zinc/13/10/47/530131047.db2.gz QSDDLNSTSSYDEH-QMMMGPOBSA-N -1 0 375.334 -0.055 20 5 GBBDRM O=C([O-])[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000275030402 530130745 /nfs/dbraw/zinc/13/07/45/530130745.db2.gz UBYAZVFEBFMVJQ-LLVKDONJSA-N -1 0 377.350 -0.202 20 5 GBBDRM O=C([O-])[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000275030405 530130731 /nfs/dbraw/zinc/13/07/31/530130731.db2.gz UBYAZVFEBFMVJQ-NSHDSACASA-N -1 0 377.350 -0.202 20 5 GBBDRM COc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c([N+](=O)[O-])c1 ZINC000275032080 1072234625 /nfs/dbraw/zinc/23/46/25/1072234625.db2.gz UGKXJULEQDUXDM-SECBINFHSA-N -1 0 387.370 -0.185 20 5 GBBDRM COc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c([N+](=O)[O-])c1 ZINC000275032083 1072234903 /nfs/dbraw/zinc/23/49/03/1072234903.db2.gz UGKXJULEQDUXDM-VIFPVBQESA-N -1 0 387.370 -0.185 20 5 GBBDRM COC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000275049342 1072235673 /nfs/dbraw/zinc/23/56/73/1072235673.db2.gz XWQDOJRKHPPFNB-UHFFFAOYSA-N -1 0 390.330 -0.748 20 5 GBBDRM COc1cc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)ccc1[N+](=O)[O-] ZINC000275052411 1072236774 /nfs/dbraw/zinc/23/67/74/1072236774.db2.gz XKJCBKYAVGWNSI-SECBINFHSA-N -1 0 387.370 -0.185 20 5 GBBDRM COc1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)ccc1[N+](=O)[O-] ZINC000275052412 1072236413 /nfs/dbraw/zinc/23/64/13/1072236413.db2.gz XKJCBKYAVGWNSI-VIFPVBQESA-N -1 0 387.370 -0.185 20 5 GBBDRM NC(=O)CC[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000275061873 1072239243 /nfs/dbraw/zinc/23/92/43/1072239243.db2.gz JTYOIBQLIHRKIS-SSDOTTSWSA-N -1 0 389.342 -0.637 20 5 GBBDRM NC(=O)CC[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000275061874 1072239342 /nfs/dbraw/zinc/23/93/42/1072239342.db2.gz JTYOIBQLIHRKIS-ZETCQYMHSA-N -1 0 389.342 -0.637 20 5 GBBDRM COc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-] ZINC000275066334 1072240304 /nfs/dbraw/zinc/24/03/04/1072240304.db2.gz ZZOOAJGAXCHXMM-SECBINFHSA-N -1 0 387.370 -0.185 20 5 GBBDRM COc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-] ZINC000275066335 1072240267 /nfs/dbraw/zinc/24/02/67/1072240267.db2.gz ZZOOAJGAXCHXMM-VIFPVBQESA-N -1 0 387.370 -0.185 20 5 GBBDRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000275074339 530130816 /nfs/dbraw/zinc/13/08/16/530130816.db2.gz HMUKXDSUIHHXEX-SECBINFHSA-N -1 0 382.347 -0.394 20 5 GBBDRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000275074341 530130725 /nfs/dbraw/zinc/13/07/25/530130725.db2.gz HMUKXDSUIHHXEX-VIFPVBQESA-N -1 0 382.347 -0.394 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000275075316 1072242971 /nfs/dbraw/zinc/24/29/71/1072242971.db2.gz HPHFLLGADJTMIT-GZMMTYOYSA-N -1 0 387.370 -0.057 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000275075319 1072242769 /nfs/dbraw/zinc/24/27/69/1072242769.db2.gz HPHFLLGADJTMIT-KCJUWKMLSA-N -1 0 387.370 -0.057 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000275075322 1072242995 /nfs/dbraw/zinc/24/29/95/1072242995.db2.gz HPHFLLGADJTMIT-KWQFWETISA-N -1 0 387.370 -0.057 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000275075324 1072242804 /nfs/dbraw/zinc/24/28/04/1072242804.db2.gz HPHFLLGADJTMIT-LDYMZIIASA-N -1 0 387.370 -0.057 20 5 GBBDRM 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O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000275079085 530113039 /nfs/dbraw/zinc/11/30/39/530113039.db2.gz IIDUTTJQQUKJTO-LBPRGKRZSA-N -1 0 392.411 -0.349 20 5 GBBDRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275081557 530131022 /nfs/dbraw/zinc/13/10/22/530131022.db2.gz ITOZAQXVUBJVFU-SECBINFHSA-N -1 0 378.384 -0.143 20 5 GBBDRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275081558 530131205 /nfs/dbraw/zinc/13/12/05/530131205.db2.gz ITOZAQXVUBJVFU-VIFPVBQESA-N -1 0 378.384 -0.143 20 5 GBBDRM Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000275083291 530130913 /nfs/dbraw/zinc/13/09/13/530130913.db2.gz JAIJRWDBJRBVFQ-LLVKDONJSA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000275083296 530131129 /nfs/dbraw/zinc/13/11/29/530131129.db2.gz JAIJRWDBJRBVFQ-NSHDSACASA-N -1 0 378.384 -0.224 20 5 GBBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000275085438 530130797 /nfs/dbraw/zinc/13/07/97/530130797.db2.gz JJEFTANNHUDDET-SECBINFHSA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000275085440 530114339 /nfs/dbraw/zinc/11/43/39/530114339.db2.gz JJEFTANNHUDDET-VIFPVBQESA-N -1 0 394.383 -0.524 20 5 GBBDRM O=C([O-])[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000275085553 530130960 /nfs/dbraw/zinc/13/09/60/530130960.db2.gz JKVACNSZEMEAGM-LLVKDONJSA-N -1 0 378.384 -0.392 20 5 GBBDRM O=C([O-])[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000275085555 530131124 /nfs/dbraw/zinc/13/11/24/530131124.db2.gz JKVACNSZEMEAGM-NSHDSACASA-N -1 0 378.384 -0.392 20 5 GBBDRM CCS(=O)(=O)NCCS(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000275085865 530131140 /nfs/dbraw/zinc/13/11/40/530131140.db2.gz ZPTXVLVYXSZSTB-UHFFFAOYSA-N -1 0 381.388 -0.026 20 5 GBBDRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000275090351 530130743 /nfs/dbraw/zinc/13/07/43/530130743.db2.gz KDABLPJKXKJLMQ-SECBINFHSA-N -1 0 396.374 -0.004 20 5 GBBDRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000275090353 530131000 /nfs/dbraw/zinc/13/10/00/530131000.db2.gz KDABLPJKXKJLMQ-VIFPVBQESA-N -1 0 396.374 -0.004 20 5 GBBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000275100613 530120650 /nfs/dbraw/zinc/12/06/50/530120650.db2.gz LNMIBVQSDPXNDU-SECBINFHSA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000275100617 530123155 /nfs/dbraw/zinc/12/31/55/530123155.db2.gz LNMIBVQSDPXNDU-VIFPVBQESA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000275101184 530120409 /nfs/dbraw/zinc/12/04/09/530120409.db2.gz LOEOQKNVKMPOKR-JTQLQIEISA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000275101188 530120746 /nfs/dbraw/zinc/12/07/46/530120746.db2.gz LOEOQKNVKMPOKR-SNVBAGLBSA-N -1 0 394.383 -0.524 20 5 GBBDRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000275117614 530131212 /nfs/dbraw/zinc/13/12/12/530131212.db2.gz NQURFFVICANALG-MRVPVSSYSA-N -1 0 396.374 -0.004 20 5 GBBDRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000275117616 530130348 /nfs/dbraw/zinc/13/03/48/530130348.db2.gz NQURFFVICANALG-QMMMGPOBSA-N -1 0 396.374 -0.004 20 5 GBBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000275126696 530131180 /nfs/dbraw/zinc/13/11/80/530131180.db2.gz OTKZMVWOLJGKCG-JTQLQIEISA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000275126698 530130983 /nfs/dbraw/zinc/13/09/83/530130983.db2.gz OTKZMVWOLJGKCG-SNVBAGLBSA-N -1 0 378.384 -0.224 20 5 GBBDRM CS(=O)(=O)CCS(=O)(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000275150837 530131417 /nfs/dbraw/zinc/13/14/17/530131417.db2.gz YNQJOJIPFCNLDG-NSHDSACASA-N -1 0 380.400 -0.446 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000275159337 530131769 /nfs/dbraw/zinc/13/17/69/530131769.db2.gz SWGJGEAMMGRWFU-JTQLQIEISA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000275159339 530449388 /nfs/dbraw/zinc/44/93/88/530449388.db2.gz SWGJGEAMMGRWFU-SNVBAGLBSA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000275160273 1072253685 /nfs/dbraw/zinc/25/36/85/1072253685.db2.gz SZRKXTIWMUWWMZ-GZMMTYOYSA-N -1 0 387.370 -0.057 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000275160274 1072253753 /nfs/dbraw/zinc/25/37/53/1072253753.db2.gz SZRKXTIWMUWWMZ-KCJUWKMLSA-N -1 0 387.370 -0.057 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000275160275 1072253830 /nfs/dbraw/zinc/25/38/30/1072253830.db2.gz SZRKXTIWMUWWMZ-KWQFWETISA-N -1 0 387.370 -0.057 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000275160276 1072253399 /nfs/dbraw/zinc/25/33/99/1072253399.db2.gz SZRKXTIWMUWWMZ-LDYMZIIASA-N -1 0 387.370 -0.057 20 5 GBBDRM COc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000275170808 1072254483 /nfs/dbraw/zinc/25/44/83/1072254483.db2.gz VJSWCXIFRZVTBB-GZMMTYOYSA-N -1 0 387.370 -0.057 20 5 GBBDRM COc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000275170810 1072254372 /nfs/dbraw/zinc/25/43/72/1072254372.db2.gz VJSWCXIFRZVTBB-KCJUWKMLSA-N -1 0 387.370 -0.057 20 5 GBBDRM COc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000275170812 1072254198 /nfs/dbraw/zinc/25/41/98/1072254198.db2.gz VJSWCXIFRZVTBB-KWQFWETISA-N -1 0 387.370 -0.057 20 5 GBBDRM COc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000275170814 1072254519 /nfs/dbraw/zinc/25/45/19/1072254519.db2.gz VJSWCXIFRZVTBB-LDYMZIIASA-N -1 0 387.370 -0.057 20 5 GBBDRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000275170849 530131389 /nfs/dbraw/zinc/13/13/89/530131389.db2.gz VKGJVBDOILWZKO-JTQLQIEISA-N -1 0 378.384 -0.143 20 5 GBBDRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000275170851 530131605 /nfs/dbraw/zinc/13/16/05/530131605.db2.gz VKGJVBDOILWZKO-SNVBAGLBSA-N -1 0 378.384 -0.143 20 5 GBBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000275179313 530449917 /nfs/dbraw/zinc/44/99/17/530449917.db2.gz WISJKMIBTZEVKB-JTQLQIEISA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000275179315 530131434 /nfs/dbraw/zinc/13/14/34/530131434.db2.gz WISJKMIBTZEVKB-SNVBAGLBSA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000275181861 530449773 /nfs/dbraw/zinc/44/97/73/530449773.db2.gz WRHGMISCHGGYDF-JTQLQIEISA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000275181864 530131667 /nfs/dbraw/zinc/13/16/67/530131667.db2.gz WRHGMISCHGGYDF-SNVBAGLBSA-N -1 0 378.384 -0.224 20 5 GBBDRM O=C([O-])C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000275183309 530131532 /nfs/dbraw/zinc/13/15/32/530131532.db2.gz WXWXCLZOEBOEKT-GFCCVEGCSA-N -1 0 392.411 -0.002 20 5 GBBDRM O=C([O-])C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000275183311 530131513 /nfs/dbraw/zinc/13/15/13/530131513.db2.gz WXWXCLZOEBOEKT-LBPRGKRZSA-N -1 0 392.411 -0.002 20 5 GBBDRM Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000275184389 530131499 /nfs/dbraw/zinc/13/14/99/530131499.db2.gz XBRGTMXAUPXZHI-JTQLQIEISA-N -1 0 396.374 -0.085 20 5 GBBDRM 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COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000422674879 1072470015 /nfs/dbraw/zinc/47/00/15/1072470015.db2.gz XKQZQQLZFYQGJB-VIFPVBQESA-N -1 0 396.356 -0.020 20 5 GBBDRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000422768164 1072473273 /nfs/dbraw/zinc/47/32/73/1072473273.db2.gz YZAPSKZMRDGYNO-UHFFFAOYSA-N -1 0 398.397 -0.126 20 5 GBBDRM CN(CCC(=O)[O-])C(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000422846597 1072475815 /nfs/dbraw/zinc/47/58/15/1072475815.db2.gz QDFNIQHUCLYJNO-UHFFFAOYSA-N -1 0 392.368 -0.188 20 5 GBBDRM CN(CCCC(=O)[O-])C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422924715 1072479042 /nfs/dbraw/zinc/47/90/42/1072479042.db2.gz BAPNEPJNZZFQGW-UHFFFAOYSA-N -1 0 379.373 -0.038 20 5 GBBDRM C[C@H](CN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000422929521 1072480350 /nfs/dbraw/zinc/48/03/50/1072480350.db2.gz QJNLPTSCSJZWFZ-LLVKDONJSA-N -1 0 379.373 -0.183 20 5 GBBDRM C[C@@H](CN(C)C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000422929522 1072480138 /nfs/dbraw/zinc/48/01/38/1072480138.db2.gz QJNLPTSCSJZWFZ-NSHDSACASA-N -1 0 379.373 -0.183 20 5 GBBDRM O=C([O-])[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000422929545 1072479929 /nfs/dbraw/zinc/47/99/29/1072479929.db2.gz QLEHFXXXSPOBKC-LLVKDONJSA-N -1 0 377.357 -0.429 20 5 GBBDRM O=C([O-])[C@H]1CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000422929546 1072480016 /nfs/dbraw/zinc/48/00/16/1072480016.db2.gz QLEHFXXXSPOBKC-NSHDSACASA-N -1 0 377.357 -0.429 20 5 GBBDRM C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000422929692 1072479915 /nfs/dbraw/zinc/47/99/15/1072479915.db2.gz RCWWCYCHUPWFJW-KRWDZBQOSA-N -1 0 391.384 -0.038 20 5 GBBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000422929693 1072479860 /nfs/dbraw/zinc/47/98/60/1072479860.db2.gz RCWWCYCHUPWFJW-QGZVFWFLSA-N -1 0 391.384 -0.038 20 5 GBBDRM 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O=C([O-])[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCS1(=O)=O ZINC000424244061 1072587974 /nfs/dbraw/zinc/58/79/74/1072587974.db2.gz NSJCJBDIQQAAEB-GFCCVEGCSA-N -1 0 395.353 -0.501 20 5 GBBDRM O=C([O-])[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCS1(=O)=O ZINC000424244067 1072588086 /nfs/dbraw/zinc/58/80/86/1072588086.db2.gz NSJCJBDIQQAAEB-LBPRGKRZSA-N -1 0 395.353 -0.501 20 5 GBBDRM COc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1OC ZINC000424248745 1072586971 /nfs/dbraw/zinc/58/69/71/1072586971.db2.gz SNCHJZSIPHIQTI-LLVKDONJSA-N -1 0 388.354 -0.064 20 5 GBBDRM COc1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc([N+](=O)[O-])c1OC ZINC000424248748 1072586925 /nfs/dbraw/zinc/58/69/25/1072586925.db2.gz SNCHJZSIPHIQTI-NSHDSACASA-N -1 0 388.354 -0.064 20 5 GBBDRM COc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000424249985 1072586746 /nfs/dbraw/zinc/58/67/46/1072586746.db2.gz JABBLWYYRFEJSE-GFCCVEGCSA-N -1 0 388.354 -0.064 20 5 GBBDRM COc1cc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000424249987 1072587306 /nfs/dbraw/zinc/58/73/06/1072587306.db2.gz JABBLWYYRFEJSE-LBPRGKRZSA-N -1 0 388.354 -0.064 20 5 GBBDRM Cc1cc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000424252219 1072587102 /nfs/dbraw/zinc/58/71/02/1072587102.db2.gz WDPSHZYKNUOOKU-GFCCVEGCSA-N -1 0 399.381 -0.657 20 5 GBBDRM Cc1cc(C(=O)NCC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000424252221 1072587163 /nfs/dbraw/zinc/58/71/63/1072587163.db2.gz WDPSHZYKNUOOKU-LBPRGKRZSA-N -1 0 399.381 -0.657 20 5 GBBDRM O=C([O-])[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1(=O)=O ZINC000424257719 1072588103 /nfs/dbraw/zinc/58/81/03/1072588103.db2.gz NJDSGZGKYXLNNX-GFCCVEGCSA-N -1 0 386.338 -0.310 20 5 GBBDRM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1(=O)=O ZINC000424257724 1072587914 /nfs/dbraw/zinc/58/79/14/1072587914.db2.gz NJDSGZGKYXLNNX-LBPRGKRZSA-N -1 0 386.338 -0.310 20 5 GBBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424362724 530128323 /nfs/dbraw/zinc/12/83/23/530128323.db2.gz ASUWYULPLWCNMT-JTQLQIEISA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424362737 530128133 /nfs/dbraw/zinc/12/81/33/530128133.db2.gz ASUWYULPLWCNMT-SNVBAGLBSA-N -1 0 378.384 -0.224 20 5 GBBDRM O=C([O-])[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000424363981 530127948 /nfs/dbraw/zinc/12/79/48/530127948.db2.gz COFSGSWJBOUHQG-GFCCVEGCSA-N -1 0 392.411 -0.349 20 5 GBBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000424363983 530128049 /nfs/dbraw/zinc/12/80/49/530128049.db2.gz COFSGSWJBOUHQG-LBPRGKRZSA-N -1 0 392.411 -0.349 20 5 GBBDRM Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000424364425 530127938 /nfs/dbraw/zinc/12/79/38/530127938.db2.gz DOPIDJHJTMGEAR-LLVKDONJSA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000424364426 530128099 /nfs/dbraw/zinc/12/80/99/530128099.db2.gz DOPIDJHJTMGEAR-NSHDSACASA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000424364427 530128087 /nfs/dbraw/zinc/12/80/87/530128087.db2.gz DOTKRCIEFYNPCH-LLVKDONJSA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000424364428 530128349 /nfs/dbraw/zinc/12/83/49/530128349.db2.gz DOTKRCIEFYNPCH-NSHDSACASA-N -1 0 378.384 -0.224 20 5 GBBDRM O=C([O-])[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000424365108 530127952 /nfs/dbraw/zinc/12/79/52/530127952.db2.gz GIMHSPGORIBUFN-GFCCVEGCSA-N -1 0 392.411 -0.349 20 5 GBBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000424365109 530128205 /nfs/dbraw/zinc/12/82/05/530128205.db2.gz GIMHSPGORIBUFN-LBPRGKRZSA-N -1 0 392.411 -0.349 20 5 GBBDRM COc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000424365131 530128013 /nfs/dbraw/zinc/12/80/13/530128013.db2.gz GJVKERIEGSUZAZ-LLVKDONJSA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000424365135 530128387 /nfs/dbraw/zinc/12/83/87/530128387.db2.gz GJVKERIEGSUZAZ-NSHDSACASA-N -1 0 394.383 -0.524 20 5 GBBDRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000424365150 530128025 /nfs/dbraw/zinc/12/80/25/530128025.db2.gz GLAJEANNYZMMLP-LLVKDONJSA-N -1 0 378.384 -0.392 20 5 GBBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000424365151 530128250 /nfs/dbraw/zinc/12/82/50/530128250.db2.gz GLAJEANNYZMMLP-NSHDSACASA-N -1 0 378.384 -0.392 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000424366201 530128033 /nfs/dbraw/zinc/12/80/33/530128033.db2.gz IRPOTFHMBVLXAW-LLVKDONJSA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000424366202 530128277 /nfs/dbraw/zinc/12/82/77/530128277.db2.gz IRPOTFHMBVLXAW-NSHDSACASA-N -1 0 394.383 -0.524 20 5 GBBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424367324 530128192 /nfs/dbraw/zinc/12/81/92/530128192.db2.gz LJLPQKRZUNXHMU-LLVKDONJSA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424367325 530128386 /nfs/dbraw/zinc/12/83/86/530128386.db2.gz LJLPQKRZUNXHMU-NSHDSACASA-N -1 0 378.384 -0.224 20 5 GBBDRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000424367566 530128396 /nfs/dbraw/zinc/12/83/96/530128396.db2.gz MRCQURPYGAQAQA-LLVKDONJSA-N -1 0 378.384 -0.392 20 5 GBBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000424367567 530128353 /nfs/dbraw/zinc/12/83/53/530128353.db2.gz MRCQURPYGAQAQA-NSHDSACASA-N -1 0 378.384 -0.392 20 5 GBBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424367781 530128022 /nfs/dbraw/zinc/12/80/22/530128022.db2.gz NTWLGICVJIPTHD-LLVKDONJSA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424367782 530127945 /nfs/dbraw/zinc/12/79/45/530127945.db2.gz NTWLGICVJIPTHD-NSHDSACASA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424368595 530128381 /nfs/dbraw/zinc/12/83/81/530128381.db2.gz QCJWKGCTJLMVMF-LLVKDONJSA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424368596 530128326 /nfs/dbraw/zinc/12/83/26/530128326.db2.gz QCJWKGCTJLMVMF-NSHDSACASA-N -1 0 394.383 -0.524 20 5 GBBDRM O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000424370293 530128027 /nfs/dbraw/zinc/12/80/27/530128027.db2.gz SPMXSRFAUNQNPP-LLVKDONJSA-N -1 0 378.384 -0.392 20 5 GBBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCS1(=O)=O ZINC000424370295 530128274 /nfs/dbraw/zinc/12/82/74/530128274.db2.gz SPMXSRFAUNQNPP-NSHDSACASA-N -1 0 378.384 -0.392 20 5 GBBDRM Cc1sc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000424370330 530128117 /nfs/dbraw/zinc/12/81/17/530128117.db2.gz SSDDGSSNRONFIV-MRVPVSSYSA-N -1 0 384.413 -0.163 20 5 GBBDRM Cc1sc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000424370340 530128090 /nfs/dbraw/zinc/12/80/90/530128090.db2.gz SSDDGSSNRONFIV-QMMMGPOBSA-N -1 0 384.413 -0.163 20 5 GBBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424370377 530128265 /nfs/dbraw/zinc/12/82/65/530128265.db2.gz SWBIRPSTONBISW-LLVKDONJSA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424370380 530128072 /nfs/dbraw/zinc/12/80/72/530128072.db2.gz SWBIRPSTONBISW-NSHDSACASA-N -1 0 378.384 -0.224 20 5 GBBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCS1(=O)=O ZINC000424372251 530128244 /nfs/dbraw/zinc/12/82/44/530128244.db2.gz WFMZSWRWXOFZDM-JTQLQIEISA-N -1 0 382.347 -0.394 20 5 GBBDRM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCS1(=O)=O ZINC000424372253 530128044 /nfs/dbraw/zinc/12/80/44/530128044.db2.gz WFMZSWRWXOFZDM-SNVBAGLBSA-N -1 0 382.347 -0.394 20 5 GBBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424372683 530128240 /nfs/dbraw/zinc/12/82/40/530128240.db2.gz WYEUCMHTJWRKNW-LLVKDONJSA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424372684 530128096 /nfs/dbraw/zinc/12/80/96/530128096.db2.gz WYEUCMHTJWRKNW-NSHDSACASA-N -1 0 378.384 -0.224 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000424373709 530128289 /nfs/dbraw/zinc/12/82/89/530128289.db2.gz XZTOMSCAGNEGGX-LLVKDONJSA-N -1 0 394.383 -0.524 20 5 GBBDRM COc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000424373710 530128415 /nfs/dbraw/zinc/12/84/15/530128415.db2.gz XZTOMSCAGNEGGX-NSHDSACASA-N -1 0 394.383 -0.524 20 5 GBBDRM O=C([O-])[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC000424373761 530128228 /nfs/dbraw/zinc/12/82/28/530128228.db2.gz YHGQTJIAMATENW-SECBINFHSA-N -1 0 382.347 -0.394 20 5 GBBDRM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCS1(=O)=O ZINC000424373762 530128074 /nfs/dbraw/zinc/12/80/74/530128074.db2.gz YHGQTJIAMATENW-VIFPVBQESA-N -1 0 382.347 -0.394 20 5 GBBDRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000424374441 530127961 /nfs/dbraw/zinc/12/79/61/530127961.db2.gz ZBPQBKNYZCFRSU-LLVKDONJSA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000424374444 530128393 /nfs/dbraw/zinc/12/83/93/530128393.db2.gz ZBPQBKNYZCFRSU-NSHDSACASA-N -1 0 378.384 -0.224 20 5 GBBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424384545 1072591782 /nfs/dbraw/zinc/59/17/82/1072591782.db2.gz BWBXVYHZYBJVTP-SECBINFHSA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424384548 1072592063 /nfs/dbraw/zinc/59/20/63/1072592063.db2.gz BWBXVYHZYBJVTP-VIFPVBQESA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424390169 1072592640 /nfs/dbraw/zinc/59/26/40/1072592640.db2.gz JQUNBHIGYURAMV-SECBINFHSA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424390170 1072592422 /nfs/dbraw/zinc/59/24/22/1072592422.db2.gz JQUNBHIGYURAMV-VIFPVBQESA-N -1 0 383.342 -0.142 20 5 GBBDRM COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000424390545 1072592620 /nfs/dbraw/zinc/59/26/20/1072592620.db2.gz FGOAHWYDRYMYEX-GFCCVEGCSA-N -1 0 387.370 -0.003 20 5 GBBDRM COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000424390547 1072592404 /nfs/dbraw/zinc/59/24/04/1072592404.db2.gz FGOAHWYDRYMYEX-LBPRGKRZSA-N -1 0 387.370 -0.003 20 5 GBBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424390703 1072591753 /nfs/dbraw/zinc/59/17/53/1072591753.db2.gz KVTJPUCQOAZAPF-SECBINFHSA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424390704 1072591979 /nfs/dbraw/zinc/59/19/79/1072591979.db2.gz KVTJPUCQOAZAPF-VIFPVBQESA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424390722 1072591998 /nfs/dbraw/zinc/59/19/98/1072591998.db2.gz KZDBGZJOOBYHKQ-SECBINFHSA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424390723 1072591744 /nfs/dbraw/zinc/59/17/44/1072591744.db2.gz KZDBGZJOOBYHKQ-VIFPVBQESA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424391776 1072592445 /nfs/dbraw/zinc/59/24/45/1072592445.db2.gz NQZJTEHZIHKYRI-SECBINFHSA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424391779 1072592391 /nfs/dbraw/zinc/59/23/91/1072592391.db2.gz NQZJTEHZIHKYRI-VIFPVBQESA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000424392332 1072590205 /nfs/dbraw/zinc/59/02/05/1072590205.db2.gz PENMAFVJFCXUNA-JTQLQIEISA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1cc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000424392333 1072590418 /nfs/dbraw/zinc/59/04/18/1072590418.db2.gz PENMAFVJFCXUNA-SNVBAGLBSA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000424392355 1072590383 /nfs/dbraw/zinc/59/03/83/1072590383.db2.gz PICCXQBPNVIWNB-JTQLQIEISA-N -1 0 383.342 -0.142 20 5 GBBDRM Cc1ccc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000424392356 1072590280 /nfs/dbraw/zinc/59/02/80/1072590280.db2.gz PICCXQBPNVIWNB-SNVBAGLBSA-N -1 0 383.342 -0.142 20 5 GBBDRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000424393035 1072590238 /nfs/dbraw/zinc/59/02/38/1072590238.db2.gz QQDKCYAHFGFSSX-LLVKDONJSA-N -1 0 397.369 -0.267 20 5 GBBDRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000424393040 1072590429 /nfs/dbraw/zinc/59/04/29/1072590429.db2.gz QQDKCYAHFGFSSX-NSHDSACASA-N -1 0 397.369 -0.267 20 5 GBBDRM Cc1sc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000424393893 530127986 /nfs/dbraw/zinc/12/79/86/530127986.db2.gz RWONLKDDAJANLG-SSDOTTSWSA-N -1 0 389.371 -0.080 20 5 GBBDRM Cc1sc(S(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000424393894 530128375 /nfs/dbraw/zinc/12/83/75/530128375.db2.gz RWONLKDDAJANLG-ZETCQYMHSA-N -1 0 389.371 -0.080 20 5 GBBDRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000424394454 1072590301 /nfs/dbraw/zinc/59/03/01/1072590301.db2.gz TZOJLXUQZBEJFS-MRVPVSSYSA-N -1 0 387.305 -0.311 20 5 GBBDRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000424394455 1072590466 /nfs/dbraw/zinc/59/04/66/1072590466.db2.gz TZOJLXUQZBEJFS-QMMMGPOBSA-N -1 0 387.305 -0.311 20 5 GBBDRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000424396182 1072592527 /nfs/dbraw/zinc/59/25/27/1072592527.db2.gz WWFCKKKPWWBSNZ-LLVKDONJSA-N -1 0 397.369 -0.267 20 5 GBBDRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000424396185 1072592744 /nfs/dbraw/zinc/59/27/44/1072592744.db2.gz WWFCKKKPWWBSNZ-NSHDSACASA-N -1 0 397.369 -0.267 20 5 GBBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424396280 1072592505 /nfs/dbraw/zinc/59/25/05/1072592505.db2.gz QCRWRVJKDSSLTG-GFCCVEGCSA-N -1 0 387.370 -0.003 20 5 GBBDRM COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424396281 1072592415 /nfs/dbraw/zinc/59/24/15/1072592415.db2.gz QCRWRVJKDSSLTG-LBPRGKRZSA-N -1 0 387.370 -0.003 20 5 GBBDRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000424397252 1072593289 /nfs/dbraw/zinc/59/32/89/1072593289.db2.gz ZGFNDAOVFXSAJY-JTQLQIEISA-N -1 0 383.342 -0.309 20 5 GBBDRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000424397256 1072593519 /nfs/dbraw/zinc/59/35/19/1072593519.db2.gz ZGFNDAOVFXSAJY-SNVBAGLBSA-N -1 0 383.342 -0.309 20 5 GBBDRM O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000424397638 1072593574 /nfs/dbraw/zinc/59/35/74/1072593574.db2.gz ZRMZLKFNSWZCGE-JTQLQIEISA-N -1 0 383.342 -0.309 20 5 GBBDRM O=C([O-])[C@H]1CN2C(=O)N=NC2CN1S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000424397640 1072593341 /nfs/dbraw/zinc/59/33/41/1072593341.db2.gz ZRMZLKFNSWZCGE-SNVBAGLBSA-N -1 0 383.342 -0.309 20 5 GBBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424432427 1072594083 /nfs/dbraw/zinc/59/40/83/1072594083.db2.gz ACJVILCOVDSQMH-GFCCVEGCSA-N -1 0 399.381 -0.194 20 5 GBBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424432428 1072594675 /nfs/dbraw/zinc/59/46/75/1072594675.db2.gz ACJVILCOVDSQMH-LBPRGKRZSA-N -1 0 399.381 -0.194 20 5 GBBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424435800 1072595059 /nfs/dbraw/zinc/59/50/59/1072595059.db2.gz GLIURWDQMWYSTC-LLVKDONJSA-N -1 0 385.354 -0.448 20 5 GBBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424435801 1072594995 /nfs/dbraw/zinc/59/49/95/1072594995.db2.gz GLIURWDQMWYSTC-NSHDSACASA-N -1 0 385.354 -0.448 20 5 GBBDRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000424435804 1072595305 /nfs/dbraw/zinc/59/53/05/1072595305.db2.gz GLTUFSLLWJACJF-LLVKDONJSA-N -1 0 385.354 -0.448 20 5 GBBDRM Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000424435805 1072595214 /nfs/dbraw/zinc/59/52/14/1072595214.db2.gz GLTUFSLLWJACJF-NSHDSACASA-N -1 0 385.354 -0.448 20 5 GBBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424441074 1072594062 /nfs/dbraw/zinc/59/40/62/1072594062.db2.gz SMQQBBHLWPHRMS-LLVKDONJSA-N -1 0 399.381 -0.140 20 5 GBBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424441075 1072594312 /nfs/dbraw/zinc/59/43/12/1072594312.db2.gz SMQQBBHLWPHRMS-NSHDSACASA-N -1 0 399.381 -0.140 20 5 GBBDRM Cc1c(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000424442934 1072594308 /nfs/dbraw/zinc/59/43/08/1072594308.db2.gz WWGLAPVHTIJJCO-LLVKDONJSA-N -1 0 385.354 -0.448 20 5 GBBDRM Cc1c(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000424442936 1072594100 /nfs/dbraw/zinc/59/41/00/1072594100.db2.gz WWGLAPVHTIJJCO-NSHDSACASA-N -1 0 385.354 -0.448 20 5 GBBDRM O=C([O-])[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000424444196 1072594141 /nfs/dbraw/zinc/59/41/41/1072594141.db2.gz ZHCDBYZKVDGYMK-JTQLQIEISA-N -1 0 389.317 -0.617 20 5 GBBDRM O=C([O-])[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000424444199 1072594336 /nfs/dbraw/zinc/59/43/36/1072594336.db2.gz ZHCDBYZKVDGYMK-SNVBAGLBSA-N -1 0 389.317 -0.617 20 5 GBBDRM CNS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000424471618 530128016 /nfs/dbraw/zinc/12/80/16/530128016.db2.gz NVDJLFVKKFCNSY-LLVKDONJSA-N -1 0 393.399 -0.809 20 5 GBBDRM CNS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000424471627 530128084 /nfs/dbraw/zinc/12/80/84/530128084.db2.gz NVDJLFVKKFCNSY-NSHDSACASA-N -1 0 393.399 -0.809 20 5 GBBDRM CS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000424472785 530128306 /nfs/dbraw/zinc/12/83/06/530128306.db2.gz PQDTZRGELYUTJN-LLVKDONJSA-N -1 0 378.384 -0.314 20 5 GBBDRM CS(=O)(=O)c1ccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000424472789 530127979 /nfs/dbraw/zinc/12/79/79/530127979.db2.gz PQDTZRGELYUTJN-NSHDSACASA-N -1 0 378.384 -0.314 20 5 GBBDRM CS(=O)(=O)c1cccc(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000424472794 530128019 /nfs/dbraw/zinc/12/80/19/530128019.db2.gz PRELCYIZWBXTOY-JTQLQIEISA-N -1 0 378.384 -0.314 20 5 GBBDRM CS(=O)(=O)c1cccc(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000424472795 530128179 /nfs/dbraw/zinc/12/81/79/530128179.db2.gz PRELCYIZWBXTOY-SNVBAGLBSA-N -1 0 378.384 -0.314 20 5 GBBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1 ZINC000424478790 530128188 /nfs/dbraw/zinc/12/81/88/530128188.db2.gz XJTJROYHEOMJOH-SSDOTTSWSA-N -1 0 384.413 -0.252 20 5 GBBDRM CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1 ZINC000424478792 530128051 /nfs/dbraw/zinc/12/80/51/530128051.db2.gz XJTJROYHEOMJOH-ZETCQYMHSA-N -1 0 384.413 -0.252 20 5 GBBDRM Cc1c(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000424499165 1072600635 /nfs/dbraw/zinc/60/06/35/1072600635.db2.gz KKGUMFDXBDIZFK-GFCCVEGCSA-N -1 0 399.381 -0.770 20 5 GBBDRM Cc1c(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000424499168 1072600411 /nfs/dbraw/zinc/60/04/11/1072600411.db2.gz KKGUMFDXBDIZFK-LBPRGKRZSA-N -1 0 399.381 -0.770 20 5 GBBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424512977 1072596442 /nfs/dbraw/zinc/59/64/42/1072596442.db2.gz WIUMFIVJWCLXKA-GFCCVEGCSA-N -1 0 399.381 -0.737 20 5 GBBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424512979 1072596652 /nfs/dbraw/zinc/59/66/52/1072596652.db2.gz WIUMFIVJWCLXKA-LBPRGKRZSA-N -1 0 399.381 -0.737 20 5 GBBDRM C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000424513487 1072603023 /nfs/dbraw/zinc/60/30/23/1072603023.db2.gz CYIXTSNDYRRZDF-BXKDBHETSA-N -1 0 399.381 -0.518 20 5 GBBDRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000424513488 1072603260 /nfs/dbraw/zinc/60/32/60/1072603260.db2.gz CYIXTSNDYRRZDF-CABZTGNLSA-N -1 0 399.381 -0.518 20 5 GBBDRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000424513489 1072603171 /nfs/dbraw/zinc/60/31/71/1072603171.db2.gz CYIXTSNDYRRZDF-JOYOIKCWSA-N -1 0 399.381 -0.518 20 5 GBBDRM C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000424513491 1072603067 /nfs/dbraw/zinc/60/30/67/1072603067.db2.gz CYIXTSNDYRRZDF-SKDRFNHKSA-N -1 0 399.381 -0.518 20 5 GBBDRM C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000424524268 1072603798 /nfs/dbraw/zinc/60/37/98/1072603798.db2.gz UYCPLMJOJYXOEJ-BXKDBHETSA-N -1 0 399.381 -0.518 20 5 GBBDRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000424524272 1072603898 /nfs/dbraw/zinc/60/38/98/1072603898.db2.gz UYCPLMJOJYXOEJ-CABZTGNLSA-N -1 0 399.381 -0.518 20 5 GBBDRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000424524275 1072604308 /nfs/dbraw/zinc/60/43/08/1072604308.db2.gz UYCPLMJOJYXOEJ-JOYOIKCWSA-N -1 0 399.381 -0.518 20 5 GBBDRM C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-] ZINC000424524278 1072604057 /nfs/dbraw/zinc/60/40/57/1072604057.db2.gz UYCPLMJOJYXOEJ-SKDRFNHKSA-N -1 0 399.381 -0.518 20 5 GBBDRM CO[C@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000427758181 530129415 /nfs/dbraw/zinc/12/94/15/530129415.db2.gz KKNFLABOPFBKIK-LLVKDONJSA-N -1 0 375.359 -0.521 20 5 GBBDRM CO[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000427758188 530129517 /nfs/dbraw/zinc/12/95/17/530129517.db2.gz KKNFLABOPFBKIK-NSHDSACASA-N -1 0 375.359 -0.521 20 5 GBBDRM O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436754347 1072761503 /nfs/dbraw/zinc/76/15/03/1072761503.db2.gz YIDIIMLGQRNHLD-UHFFFAOYSA-N -1 0 390.352 -0.266 20 5 GBBDRM 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ZINC000826500171 607631231 /nfs/dbraw/zinc/63/12/31/607631231.db2.gz NNBRIKIRSCEVGB-JTQLQIEISA-N -1 0 398.401 -0.159 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)COCC2CC2)c1-c1nnn[n-]1 ZINC000826500172 607631446 /nfs/dbraw/zinc/63/14/46/607631446.db2.gz NNBRIKIRSCEVGB-SNVBAGLBSA-N -1 0 398.401 -0.159 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@]2(O)CCSC2)c1-c1nnn[n-]1 ZINC000826500173 607660282 /nfs/dbraw/zinc/66/02/82/607660282.db2.gz NOWMYXKSRACURI-GFCCVEGCSA-N -1 0 386.415 -0.079 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@]2(O)CCSC2)c1-c1nnn[n-]1 ZINC000826500174 607660324 /nfs/dbraw/zinc/66/03/24/607660324.db2.gz NOWMYXKSRACURI-LBPRGKRZSA-N -1 0 386.415 -0.079 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NCC2(O)CCOCC2)c1-c1nnn[n-]1 ZINC000826500179 607629995 /nfs/dbraw/zinc/62/99/95/607629995.db2.gz NUPNNJFIJMOLNM-UHFFFAOYSA-N -1 0 384.374 -0.405 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCCO)CC2)c1-c1nnn[n-]1 ZINC000826500201 608568411 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PNUGIYLKMXCYFY-UHFFFAOYSA-N -1 0 383.390 -0.615 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NCCCn2ccnn2)c1-c1nnn[n-]1 ZINC000826500243 608125586 /nfs/dbraw/zinc/12/55/86/608125586.db2.gz PQLSJRDDLQOVPO-UHFFFAOYSA-N -1 0 379.362 -0.265 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC[C@H]2CO)c1-c1nnn[n-]1 ZINC000826500283 608568013 /nfs/dbraw/zinc/56/80/13/608568013.db2.gz RUQIAEMMFVJYDC-MRVPVSSYSA-N -1 0 386.415 -0.127 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCSC[C@@H]2CO)c1-c1nnn[n-]1 ZINC000826500284 608568033 /nfs/dbraw/zinc/56/80/33/608568033.db2.gz RUQIAEMMFVJYDC-QMMMGPOBSA-N -1 0 386.415 -0.127 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c1-c1nnn[n-]1 ZINC000826500288 607616091 /nfs/dbraw/zinc/61/60/91/607616091.db2.gz SBKOTYZBGILARD-MRVPVSSYSA-N -1 0 391.373 -0.340 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c1-c1nnn[n-]1 ZINC000826500289 607616236 /nfs/dbraw/zinc/61/62/36/607616236.db2.gz SBKOTYZBGILARD-QMMMGPOBSA-N -1 0 391.373 -0.340 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nnnn2C2CC2)c1-c1nnn[n-]1 ZINC000826500299 607655561 /nfs/dbraw/zinc/65/55/61/607655561.db2.gz SNBPMAZUTBSILE-UHFFFAOYSA-N -1 0 392.361 -0.425 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](O)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826500316 607641086 /nfs/dbraw/zinc/64/10/86/607641086.db2.gz TWDOZIPJJMNLGJ-LLVKDONJSA-N -1 0 398.401 -0.159 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](O)C2CCOCC2)c1-c1nnn[n-]1 ZINC000826500317 607640668 /nfs/dbraw/zinc/64/06/68/607640668.db2.gz TWDOZIPJJMNLGJ-NSHDSACASA-N -1 0 398.401 -0.159 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCS(=O)(=O)CC2)c1-c1nnn[n-]1 ZINC000826500318 607607995 /nfs/dbraw/zinc/60/79/95/607607995.db2.gz TYDMAKVYNILCCP-UHFFFAOYSA-N -1 0 388.387 -0.806 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(OCCO)CC2)c1-c1nnn[n-]1 ZINC000826500339 607938759 /nfs/dbraw/zinc/93/87/59/607938759.db2.gz UOHQSBOTHSSZFR-UHFFFAOYSA-N -1 0 398.401 -0.063 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2ncccn2)c1-c1nnn[n-]1 ZINC000826500356 607599989 /nfs/dbraw/zinc/59/99/89/607599989.db2.gz VMVAXPHWBGYOOW-UHFFFAOYSA-N -1 0 391.373 -0.045 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCN(CCO)CC2)c1-c1nnn[n-]1 ZINC000826500360 607626053 /nfs/dbraw/zinc/62/60/53/607626053.db2.gz VRHCKBWYKNVOQF-UHFFFAOYSA-N -1 0 397.417 -0.536 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CCO)CC2)c1-c1nnn[n-]1 ZINC000826500383 607581743 /nfs/dbraw/zinc/58/17/43/607581743.db2.gz WPMHACLNKLIKLG-UHFFFAOYSA-N -1 0 383.390 -0.927 20 5 GBBDRM O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nnc3n2CCC3)c1-c1nnn[n-]1 ZINC000826500429 607582605 /nfs/dbraw/zinc/58/26/05/607582605.db2.gz YGRKMKUNUBZLFO-UHFFFAOYSA-N -1 0 391.373 -0.209 20 5 GBBDRM C[C@H](CS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000827559264 601781491 /nfs/dbraw/zinc/78/14/91/601781491.db2.gz VMVXPAXHDGXWEA-SECBINFHSA-N -1 0 395.415 -0.487 20 5 GBBDRM C[C@@H](CS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000827559266 601781584 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CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-])NS(C)(=O)=O ZINC000833460049 605394039 /nfs/dbraw/zinc/39/40/39/605394039.db2.gz UHZYTEYFOOYFMZ-UHFFFAOYSA-N -1 0 395.415 -0.101 20 5 GBBDRM CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833501742 605390576 /nfs/dbraw/zinc/39/05/76/605390576.db2.gz HQUVCWAOQGGMJQ-UHFFFAOYSA-N -1 0 395.415 -0.101 20 5 GBBDRM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833665657 605392321 /nfs/dbraw/zinc/39/23/21/605392321.db2.gz LMMGQYAGMXDDLN-UHFFFAOYSA-N -1 0 381.388 -0.489 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(=O)OC)c([N+](=O)[O-])n1 ZINC000833681540 605611878 /nfs/dbraw/zinc/61/18/78/605611878.db2.gz DMTNWUJNHKNNPT-BDAKNGLRSA-N -1 0 390.374 -0.162 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(=O)OC)c([N+](=O)[O-])n1 ZINC000833681541 605611929 /nfs/dbraw/zinc/61/19/29/605611929.db2.gz DMTNWUJNHKNNPT-DTWKUNHWSA-N -1 0 390.374 -0.162 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(=O)OC)c([N+](=O)[O-])n1 ZINC000833681542 605611872 /nfs/dbraw/zinc/61/18/72/605611872.db2.gz DMTNWUJNHKNNPT-IUCAKERBSA-N -1 0 390.374 -0.162 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(=O)OC)c([N+](=O)[O-])n1 ZINC000833681543 605611812 /nfs/dbraw/zinc/61/18/12/605611812.db2.gz DMTNWUJNHKNNPT-RKDXNWHRSA-N -1 0 390.374 -0.162 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)[O-])c([N+](=O)[O-])n1 ZINC000833681586 605611881 /nfs/dbraw/zinc/61/18/81/605611881.db2.gz HCVUMMNMNXWKMC-BDAKNGLRSA-N -1 0 390.374 -0.162 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1 ZINC000833681587 605611853 /nfs/dbraw/zinc/61/18/53/605611853.db2.gz HCVUMMNMNXWKMC-DTWKUNHWSA-N -1 0 390.374 -0.162 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])c([N+](=O)[O-])n1 ZINC000833681588 605611690 /nfs/dbraw/zinc/61/16/90/605611690.db2.gz HCVUMMNMNXWKMC-IUCAKERBSA-N -1 0 390.374 -0.162 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1 ZINC000833681589 605611786 /nfs/dbraw/zinc/61/17/86/605611786.db2.gz HCVUMMNMNXWKMC-RKDXNWHRSA-N -1 0 390.374 -0.162 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000833681967 605061771 /nfs/dbraw/zinc/06/17/71/605061771.db2.gz MXWKHVYAKBXMDN-JTQLQIEISA-N -1 0 375.407 -0.019 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c([N+](=O)[O-])n1 ZINC000833681969 605061622 /nfs/dbraw/zinc/06/16/22/605061622.db2.gz MXWKHVYAKBXMDN-SNVBAGLBSA-N -1 0 375.407 -0.019 20 5 GBBDRM CCn1cc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)[O-])c([N+](=O)[O-])n1 ZINC000833682318 604508488 /nfs/dbraw/zinc/50/84/88/604508488.db2.gz PZWHBCVYCPGPLA-UHFFFAOYSA-N -1 0 391.406 -0.781 20 5 GBBDRM CCn1cc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c([N+](=O)[O-])n1 ZINC000833682325 604508494 /nfs/dbraw/zinc/50/84/94/604508494.db2.gz QTRNZDNQFMGAFY-JTQLQIEISA-N -1 0 375.407 -0.019 20 5 GBBDRM 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Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000842691994 638044040 /nfs/dbraw/zinc/04/40/40/638044040.db2.gz FRWSROPPLZBTOU-NSHDSACASA-N -1 0 377.400 -0.258 20 5 GBBDRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)S1(=O)=O ZINC000842692508 638044654 /nfs/dbraw/zinc/04/46/54/638044654.db2.gz KEQZCYSJMPRLPO-JTQLQIEISA-N -1 0 381.363 -0.427 20 5 GBBDRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)S1(=O)=O ZINC000842692510 638044891 /nfs/dbraw/zinc/04/48/91/638044891.db2.gz KEQZCYSJMPRLPO-SNVBAGLBSA-N -1 0 381.363 -0.427 20 5 GBBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)ccc1[N+](=O)[O-] ZINC000842719098 638045273 /nfs/dbraw/zinc/04/52/73/638045273.db2.gz JEEJLTFRLXIMLF-LLVKDONJSA-N -1 0 377.400 -0.258 20 5 GBBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)ccc1[N+](=O)[O-] ZINC000842719099 638045184 /nfs/dbraw/zinc/04/51/84/638045184.db2.gz JEEJLTFRLXIMLF-NSHDSACASA-N -1 0 377.400 -0.258 20 5 GBBDRM 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