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Cc1ncc(CO)c(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c1[O-] ZINC001147836701 1068622371 /nfs/dbraw/zinc/62/23/71/1068622371.db2.gz PRNCDUYLPXOSKE-ARFHVFGLSA-N -1 1 453.517 -0.678 20 0 JBADMM Cc1ncc(CO)c(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c1[O-] ZINC001147836702 1068622322 /nfs/dbraw/zinc/62/23/22/1068622322.db2.gz PRNCDUYLPXOSKE-BZUAXINKSA-N -1 1 453.517 -0.678 20 0 JBADMM Cc1ncc(CO)c(C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)c1[O-] ZINC001147837194 1068622378 /nfs/dbraw/zinc/62/23/78/1068622378.db2.gz XEOSTEVNSRZAHL-NRFANRHFSA-N -1 1 466.560 -0.066 20 0 JBADMM Cc1ncc(CO)c(C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)c1[O-] ZINC001147837195 1068622288 /nfs/dbraw/zinc/62/22/88/1068622288.db2.gz XEOSTEVNSRZAHL-OAQYLSRUSA-N -1 1 466.560 -0.066 20 0 JBADMM Cc1ncc(CO)c(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)c1[O-] ZINC001147841092 1068622154 /nfs/dbraw/zinc/62/21/54/1068622154.db2.gz OERFXMWJNDEIKP-UHFFFAOYSA-N -1 1 450.882 -0.212 20 0 JBADMM O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001148918132 1068626688 /nfs/dbraw/zinc/62/66/88/1068626688.db2.gz KVLIMPLETKNKHY-DOTOQJQBSA-N -1 1 494.551 -0.182 20 0 JBADMM CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])CC2 ZINC001148919146 1068627544 /nfs/dbraw/zinc/62/75/44/1068627544.db2.gz PFSORSTXUVNEDV-UHFFFAOYSA-N -1 1 454.549 -0.051 20 0 JBADMM NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2O)cc1Cl ZINC001148925773 1068627390 /nfs/dbraw/zinc/62/73/90/1068627390.db2.gz AHJLUIJHEJUCBH-UHFFFAOYSA-N -1 1 485.905 -0.161 20 0 JBADMM NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc(S(=O)(=O)[O-])ccc1O ZINC001148933205 1068627457 /nfs/dbraw/zinc/62/74/57/1068627457.db2.gz HHPZNOOCXXICRM-KBPBESRZSA-N -1 1 451.461 -0.821 20 0 JBADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001149113503 1069241803 /nfs/dbraw/zinc/24/18/03/1069241803.db2.gz LHLPHHZXPGICLG-KRWDZBQOSA-N -1 1 479.515 -0.637 20 0 JBADMM COc1ccc(Cn2ccnc(C(=O)NCCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])c2=O)cc1 ZINC001149725356 1069243493 /nfs/dbraw/zinc/24/34/93/1069243493.db2.gz CXECXCJJMUWJLT-KRWDZBQOSA-N -1 1 468.470 -0.045 20 0 JBADMM CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)c2C1 ZINC001149842057 1069244471 /nfs/dbraw/zinc/24/44/71/1069244471.db2.gz CNHVMIYOHNEZPJ-UHFFFAOYSA-N -1 1 470.468 -0.587 20 0 JBADMM CC(C)(C)OC(=O)N1Cc2n[nH]c(C(=O)n3c(=N)nc(OS(=O)(=O)[O-])c(N)c3N)c2C1 ZINC001149918948 1069244865 /nfs/dbraw/zinc/24/48/65/1069244865.db2.gz IVIYOMLUBCIXAJ-UHFFFAOYSA-N -1 1 456.441 -0.629 20 0 JBADMM CC(C)(C)OC(=O)N1CCn2nnc(C(=O)NCCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])c2C1 ZINC001150028202 1069245707 /nfs/dbraw/zinc/24/57/07/1069245707.db2.gz NLGXYRBPJCFNNA-ZDUSSCGKSA-N -1 1 476.494 -0.316 20 0 JBADMM CN1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCCC(=O)N[C@@H](Cc4cnc[nH]4)C(=O)[O-])cn32)C1 ZINC001150401352 1069255410 /nfs/dbraw/zinc/25/54/10/1069255410.db2.gz XIEROUPUWYTRML-DLBZAZTESA-N -1 1 483.533 -0.697 20 0 JBADMM CN1CCN(C)[C@H](c2nnc3ccc(C(=O)NCCC(=O)N[C@@H](Cc4cnc[nH]4)C(=O)[O-])cn32)C1 ZINC001150401353 1069255284 /nfs/dbraw/zinc/25/52/84/1069255284.db2.gz XIEROUPUWYTRML-IRXDYDNUSA-N -1 1 483.533 -0.697 20 0 JBADMM CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)Nc4[nH]c(=O)nc5[n-]c(=O)[nH]c54)cn32)C1 ZINC001150429784 1069259330 /nfs/dbraw/zinc/25/93/30/1069259330.db2.gz LWVAEKXOQBCLKV-LLVKDONJSA-N -1 1 481.477 -0.019 20 0 JBADMM CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)Nc4[nH]c(=O)nc5[n-]c(=O)[nH]c54)cn32)C1 ZINC001150429789 1069259231 /nfs/dbraw/zinc/25/92/31/1069259231.db2.gz LWVAEKXOQBCLKV-NSHDSACASA-N -1 1 481.477 -0.019 20 0 JBADMM CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)Nc4[nH]c(=O)nc5[n-]c(=O)[nH]c54)cn32)C1 ZINC001150459264 1069265260 /nfs/dbraw/zinc/26/52/60/1069265260.db2.gz ZINNXNBOXXWMTN-MRVPVSSYSA-N -1 1 459.448 -0.240 20 0 JBADMM CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)Nc4[nH]c(=O)nc5[n-]c(=O)[nH]c54)cn32)C1 ZINC001150459265 1069265072 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20 0 JBADMM CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNc1nc(C)cc2c1C(=O)[N-]C2=O)C(N)=O ZINC001162277625 1069440760 /nfs/dbraw/zinc/44/07/60/1069440760.db2.gz QYSOBAGCUDFNBG-KBPBESRZSA-N -1 1 478.575 -0.060 20 0 JBADMM CS(=O)(=O)CCNc1ccc(I)c(-c2nn[n-]n2)c1S(N)(=O)=O ZINC001162320968 1069441691 /nfs/dbraw/zinc/44/16/91/1069441691.db2.gz YAIUDHZYOKMBLX-UHFFFAOYSA-N -1 1 472.290 -0.425 20 0 JBADMM CS(=O)(=O)CCNc1ccc(I)c(-c2nnn[n-]2)c1S(N)(=O)=O ZINC001162320968 1069441686 /nfs/dbraw/zinc/44/16/86/1069441686.db2.gz YAIUDHZYOKMBLX-UHFFFAOYSA-N -1 1 472.290 -0.425 20 0 JBADMM Nc1nc(=O)[nH]cc1Nc1ccc(I)c(-c2nn[n-]n2)c1S(N)(=O)=O ZINC001162785116 1069443273 /nfs/dbraw/zinc/44/32/73/1069443273.db2.gz YVBAVEUYQRSGIE-UHFFFAOYSA-N -1 1 475.232 -0.060 20 0 JBADMM Nc1nc(=O)[nH]cc1Nc1ccc(I)c(-c2nnn[n-]2)c1S(N)(=O)=O ZINC001162785116 1069443267 /nfs/dbraw/zinc/44/32/67/1069443267.db2.gz YVBAVEUYQRSGIE-UHFFFAOYSA-N -1 1 475.232 -0.060 20 0 JBADMM 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CC(C)(C)OC(=O)N1CC(=O)CC[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001185518334 1068795779 /nfs/dbraw/zinc/79/57/79/1068795779.db2.gz MHEBQPBYSFWTKQ-GJZGRUSLSA-N -1 1 451.480 -0.004 20 0 JBADMM CC(C)(C)OC(=O)N1CC(=O)CC[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001185518342 1068795959 /nfs/dbraw/zinc/79/59/59/1068795959.db2.gz MHEBQPBYSFWTKQ-LSDHHAIUSA-N -1 1 451.480 -0.004 20 0 JBADMM CN(CC(=O)N(c1nc(N2CCCC2)nc2c1CNCC2)C1CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653828 1068806487 /nfs/dbraw/zinc/80/64/87/1068806487.db2.gz IMLUPTYNNMIKOK-UHFFFAOYSA-N -1 1 452.456 -0.233 20 0 JBADMM COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C(C)C ZINC001185683218 1068808528 /nfs/dbraw/zinc/80/85/28/1068808528.db2.gz RAJIKSJSIOXOHA-ZOBUZTSGSA-N -1 1 480.522 -0.601 20 0 JBADMM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001185849355 1068812702 /nfs/dbraw/zinc/81/27/02/1068812702.db2.gz OBJHGJLHDRQPNG-HRCADAONSA-N 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OBBJCFANYITTRY-CHWSQXEVSA-N -1 1 454.473 -0.473 20 0 JBADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1F ZINC001186222423 1068818858 /nfs/dbraw/zinc/81/88/58/1068818858.db2.gz OBBJCFANYITTRY-OLZOCXBDSA-N -1 1 454.473 -0.473 20 0 JBADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1F ZINC001186222424 1068818929 /nfs/dbraw/zinc/81/89/29/1068818929.db2.gz OBBJCFANYITTRY-QWHCGFSZSA-N -1 1 454.473 -0.473 20 0 JBADMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1F ZINC001186222425 1068818680 /nfs/dbraw/zinc/81/86/80/1068818680.db2.gz OBBJCFANYITTRY-STQMWFEESA-N -1 1 454.473 -0.473 20 0 JBADMM O=S(=O)([N-]c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1ccc2nsnc2c1 ZINC001186271413 1068819697 /nfs/dbraw/zinc/81/96/97/1068819697.db2.gz QFMCBBYQUMORDJ-ZBRFXRBCSA-N -1 1 469.497 -0.329 20 0 JBADMM O=S(=O)([N-]c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc2nsnc2c1 ZINC001186271487 1068819828 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COC([O-])=NC(=S)N(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)c1ccccc1N ZINC001186636019 1068843486 /nfs/dbraw/zinc/84/34/86/1068843486.db2.gz NOKDWGSYZINQGC-SRVKXCTJSA-N -1 1 480.547 -0.223 20 0 JBADMM CSc1nc(NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(C)=O)cc(=O)[n-]1 ZINC001186663607 1068851455 /nfs/dbraw/zinc/85/14/55/1068851455.db2.gz NIBHXYXVOKJRMS-STQMWFEESA-N -1 1 450.521 -0.039 20 0 JBADMM CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1nc(N(C)C)[n-]c(=O)c1N=O ZINC001186664053 1068852132 /nfs/dbraw/zinc/85/21/32/1068852132.db2.gz YOMCUKXAQIWTPP-STQMWFEESA-N -1 1 476.494 -0.297 20 0 JBADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(C)=O)c1 ZINC001186667227 1068837902 /nfs/dbraw/zinc/83/79/02/1068837902.db2.gz UDEJNXHKFBBNLE-IRXDYDNUSA-N -1 1 495.558 -0.643 20 0 JBADMM COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001186708755 1068853276 /nfs/dbraw/zinc/85/32/76/1068853276.db2.gz RNWISDUPIWSMNB-ROUUACIJSA-N -1 1 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AHHGFYXLYDDFGS-GXZWQRSESA-N -1 1 464.475 -0.464 20 0 JBADMM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC001186802483 1068854153 /nfs/dbraw/zinc/85/41/53/1068854153.db2.gz AHHGFYXLYDDFGS-LRAJWGHMSA-N -1 1 464.475 -0.464 20 0 JBADMM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC001186802485 1068854632 /nfs/dbraw/zinc/85/46/32/1068854632.db2.gz AHHGFYXLYDDFGS-VFCRVFHLSA-N -1 1 464.475 -0.464 20 0 JBADMM CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC001186802489 1068854909 /nfs/dbraw/zinc/85/49/09/1068854909.db2.gz AHHGFYXLYDDFGS-WIEQDCTASA-N -1 1 464.475 -0.464 20 0 JBADMM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@@H](O)[C@@H]1O ZINC001187086352 1068858982 /nfs/dbraw/zinc/85/89/82/1068858982.db2.gz VFXBTTFJDCNKAF-SYLRKERUSA-N -1 1 482.316 -0.960 20 0 JBADMM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)[C@@H](O)[C@@H]1O ZINC001187086353 1068859264 /nfs/dbraw/zinc/85/92/64/1068859264.db2.gz VFXBTTFJDCNKAF-VEGXAWMVSA-N -1 1 482.316 -0.960 20 0 JBADMM CCOCCS(=O)(=O)[N-][C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001187312114 1068860189 /nfs/dbraw/zinc/86/01/89/1068860189.db2.gz XIUJUAFVACJDFW-NXWXRZEISA-N -1 1 497.526 -0.303 20 0 JBADMM CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001187315895 1068861306 /nfs/dbraw/zinc/86/13/06/1068861306.db2.gz ZWSOCZJFHYWCGL-GJZGRUSLSA-N -1 1 452.512 -0.421 20 0 JBADMM CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001187315896 1068861159 /nfs/dbraw/zinc/86/11/59/1068861159.db2.gz ZWSOCZJFHYWCGL-LSDHHAIUSA-N -1 1 452.512 -0.421 20 0 JBADMM O=S(=O)([N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1c(Cl)cc(Br)cc1Cl ZINC001187526896 1068863246 /nfs/dbraw/zinc/86/32/46/1068863246.db2.gz LSIVUNTZVQZZGA-CDPPZIPSSA-N -1 1 467.121 -0.166 20 0 JBADMM 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Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CCSC3)[C@H]2SC1 ZINC001255279072 1069713155 /nfs/dbraw/zinc/71/31/55/1069713155.db2.gz GKBALPRWKJNPKW-ATEUNZGCSA-N -1 1 457.559 -0.722 20 0 JBADMM Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CCSC3)[C@H]2SC1 ZINC001255279078 1069713101 /nfs/dbraw/zinc/71/31/01/1069713101.db2.gz GKBALPRWKJNPKW-RFXMVYNHSA-N -1 1 457.559 -0.722 20 0 JBADMM COC1CCC([NH2+][C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)CC1 ZINC001255455590 1069713797 /nfs/dbraw/zinc/71/37/97/1069713797.db2.gz DCGWDSQHYQOJDD-CTRYWHCHSA-N -1 1 483.572 -0.270 20 0 JBADMM Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CCOC(C)(C)C3)[C@H]2SC1 ZINC001255536366 1069714842 /nfs/dbraw/zinc/71/48/42/1069714842.db2.gz XKEKKDJKRSNZTI-GLKRBJQHSA-N -1 1 483.572 -0.270 20 0 JBADMM Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CCOC(C)(C)C3)[C@H]2SC1 ZINC001255536367 1069715038 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C[C@H](Cc1ccccn1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001256409496 1069721795 /nfs/dbraw/zinc/72/17/95/1069721795.db2.gz KZEJOXPFQIXXAZ-AJAPIDPKSA-N -1 1 490.567 -0.201 20 0 JBADMM C[C@@H](Cc1ccccn1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001256409497 1069721708 /nfs/dbraw/zinc/72/17/08/1069721708.db2.gz KZEJOXPFQIXXAZ-CRPGXEFLSA-N -1 1 490.567 -0.201 20 0 JBADMM C[C@@H](Cc1ccccn1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001256409497 1069721688 /nfs/dbraw/zinc/72/16/88/1069721688.db2.gz KZEJOXPFQIXXAZ-CRPGXEFLSA-N -1 1 490.567 -0.201 20 0 JBADMM C[C@H](Cc1ccncc1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001256734346 1069723776 /nfs/dbraw/zinc/72/37/76/1069723776.db2.gz XRFZPTPESNILCN-AJAPIDPKSA-N -1 1 490.567 -0.201 20 0 JBADMM C[C@@H](Cc1ccncc1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001256734347 1069723405 /nfs/dbraw/zinc/72/34/05/1069723405.db2.gz XRFZPTPESNILCN-CRPGXEFLSA-N -1 1 490.567 -0.201 20 0 JBADMM C[C@@H]1CC([NH2+][C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)C[C@@H](C)O1 ZINC001257087695 1069724498 /nfs/dbraw/zinc/72/44/98/1069724498.db2.gz SANGVINILYGYLG-BONDXBCLSA-N -1 1 483.572 -0.271 20 0 JBADMM C[C@H]1CC([NH2+][C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)C[C@H](C)O1 ZINC001257087696 1069724294 /nfs/dbraw/zinc/72/42/94/1069724294.db2.gz SANGVINILYGYLG-JUACPWNRSA-N -1 1 483.572 -0.271 20 0 JBADMM C[C@@H]1C[C@@H]([NH2+][C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)C[C@H](C)O1 ZINC001257087698 1069724684 /nfs/dbraw/zinc/72/46/84/1069724684.db2.gz SANGVINILYGYLG-QXGGFHQTSA-N -1 1 483.572 -0.271 20 0 JBADMM CC(C)[NH+]1CCC(N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)CC1 ZINC001257213825 1069725509 /nfs/dbraw/zinc/72/55/09/1069725509.db2.gz RGBNHCDWSUOIQA-FZKQIMNGSA-N -1 1 496.615 -0.355 20 0 JBADMM O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)c(=O)[nH]1 ZINC001257520591 1069726903 /nfs/dbraw/zinc/72/69/03/1069726903.db2.gz KMMNRZYGHCXNBA-XYHAGOFUSA-N -1 1 458.301 -0.085 20 0 JBADMM Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@H]3CCCSC3)[C@H]2SC1 ZINC001257668997 1069727289 /nfs/dbraw/zinc/72/72/89/1069727289.db2.gz WMXKGASGQBMHGM-FEUHOPSXSA-N -1 1 471.586 -0.332 20 0 JBADMM Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+][C@@H]3CCCSC3)[C@H]2SC1 ZINC001257669012 1069728236 /nfs/dbraw/zinc/72/82/36/1069728236.db2.gz WMXKGASGQBMHGM-IQMDTDKHSA-N -1 1 471.586 -0.332 20 0 JBADMM O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(=O)[nH]1 ZINC001257780259 1069728644 /nfs/dbraw/zinc/72/86/44/1069728644.db2.gz LFGHCDOKZDJVMH-XIDUGBJDSA-N -1 1 452.272 -0.147 20 0 JBADMM C[C@@H](Cc1ccco1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258185465 1069732191 /nfs/dbraw/zinc/73/21/91/1069732191.db2.gz PHCVMCLHABDKSO-DKRRZFASSA-N -1 1 479.540 -0.003 20 0 JBADMM C[C@@H](Cc1ccco1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258185465 1069732175 /nfs/dbraw/zinc/73/21/75/1069732175.db2.gz PHCVMCLHABDKSO-DKRRZFASSA-N -1 1 479.540 -0.003 20 0 JBADMM C[C@H](Cc1ccco1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258185466 1069732388 /nfs/dbraw/zinc/73/23/88/1069732388.db2.gz PHCVMCLHABDKSO-OGTWGDGJSA-N -1 1 479.540 -0.003 20 0 JBADMM C[C@H](Cc1ccco1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258185466 1069732384 /nfs/dbraw/zinc/73/23/84/1069732384.db2.gz PHCVMCLHABDKSO-OGTWGDGJSA-N -1 1 479.540 -0.003 20 0 JBADMM CSCC[C@@H](C)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258211197 1069732018 /nfs/dbraw/zinc/73/20/18/1069732018.db2.gz HBWBTHKWVFOATB-FFTROKDMSA-N -1 1 473.602 -0.086 20 0 JBADMM CSCC[C@H](C)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258211198 1069732300 /nfs/dbraw/zinc/73/23/00/1069732300.db2.gz HBWBTHKWVFOATB-SVIKCVJRSA-N -1 1 473.602 -0.086 20 0 JBADMM COC(=O)CC[C@@H](C)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258364180 1069733099 /nfs/dbraw/zinc/73/30/99/1069733099.db2.gz OAZZGFHFFGQVCT-IJJSKAQYSA-N -1 1 485.544 -0.886 20 0 JBADMM COC(=O)CC[C@@H](C)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258364180 1069733082 /nfs/dbraw/zinc/73/30/82/1069733082.db2.gz OAZZGFHFFGQVCT-IJJSKAQYSA-N -1 1 485.544 -0.886 20 0 JBADMM COC(=O)CC[C@H](C)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258364181 1069732927 /nfs/dbraw/zinc/73/29/27/1069732927.db2.gz OAZZGFHFFGQVCT-VCAYMJSRSA-N -1 1 485.544 -0.886 20 0 JBADMM COC(=O)CC[C@H](C)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258364181 1069732905 /nfs/dbraw/zinc/73/29/05/1069732905.db2.gz OAZZGFHFFGQVCT-VCAYMJSRSA-N -1 1 485.544 -0.886 20 0 JBADMM C[C@H](CC1CC1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258457631 1069732839 /nfs/dbraw/zinc/73/28/39/1069732839.db2.gz ISXSBMOBPSXUIM-IJJSKAQYSA-N -1 1 453.546 -0.039 20 0 JBADMM C[C@@H](CC1CC1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258457632 1069732969 /nfs/dbraw/zinc/73/29/69/1069732969.db2.gz ISXSBMOBPSXUIM-VCAYMJSRSA-N -1 1 453.546 -0.039 20 0 JBADMM CCOC(=O)CC[C@H](C)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258487648 1069734078 /nfs/dbraw/zinc/73/40/78/1069734078.db2.gz RVYKKCPIAGSGMP-DKRRZFASSA-N -1 1 499.571 -0.496 20 0 JBADMM CCOC(=O)CC[C@H](C)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258487648 1069734041 /nfs/dbraw/zinc/73/40/41/1069734041.db2.gz RVYKKCPIAGSGMP-DKRRZFASSA-N -1 1 499.571 -0.496 20 0 JBADMM CCOC(=O)CC[C@@H](C)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258487667 1069734176 /nfs/dbraw/zinc/73/41/76/1069734176.db2.gz RVYKKCPIAGSGMP-OGTWGDGJSA-N -1 1 499.571 -0.496 20 0 JBADMM CCOC(=O)CC[C@@H](C)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258487667 1069734147 /nfs/dbraw/zinc/73/41/47/1069734147.db2.gz RVYKKCPIAGSGMP-OGTWGDGJSA-N -1 1 499.571 -0.496 20 0 JBADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001258494533 1069733663 /nfs/dbraw/zinc/73/36/63/1069733663.db2.gz RWQASMLLLLLPQM-SWHYSGLUSA-N -1 1 473.939 -0.672 20 0 JBADMM C[C@H](Cc1cccnc1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258620979 1069734880 /nfs/dbraw/zinc/73/48/80/1069734880.db2.gz VQYXYXSNUIRSPF-AJAPIDPKSA-N -1 1 490.567 -0.201 20 0 JBADMM C[C@@H](Cc1cccnc1)[NH2+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258620980 1069734642 /nfs/dbraw/zinc/73/46/42/1069734642.db2.gz VQYXYXSNUIRSPF-CRPGXEFLSA-N -1 1 490.567 -0.201 20 0 JBADMM CCC[NH+]1CCC(N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)CC1 ZINC001258770409 1069734726 /nfs/dbraw/zinc/73/47/26/1069734726.db2.gz JLNMVGHHSWMIOB-FZKQIMNGSA-N -1 1 496.615 -0.353 20 0 JBADMM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001258951571 1069735769 /nfs/dbraw/zinc/73/57/69/1069735769.db2.gz PBKJCAGHNJBLES-ZBEGNZNMSA-N -1 1 484.481 -0.334 20 0 JBADMM C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(F)ccc1F)C(N)=O ZINC001258951649 1069736430 /nfs/dbraw/zinc/73/64/30/1069736430.db2.gz SSKJCQLSZVZDKK-PHEKWQANSA-N -1 1 457.455 -0.089 20 0 JBADMM COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c(OC)c1 ZINC001258961216 1069736510 /nfs/dbraw/zinc/73/65/10/1069736510.db2.gz IODADNGZGKRLEI-DABHTEOTSA-N -1 1 471.484 -0.317 20 0 JBADMM COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c(OC)c1 ZINC001258961221 1069736265 /nfs/dbraw/zinc/73/62/65/1069736265.db2.gz IODADNGZGKRLEI-LGKHCZOZSA-N -1 1 471.484 -0.317 20 0 JBADMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)C2 ZINC001258979848 1069736450 /nfs/dbraw/zinc/73/64/50/1069736450.db2.gz YDTCBXXWQXJXSU-DOWNOZBLSA-N -1 1 465.572 -0.125 20 0 JBADMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)C2 ZINC001258992546 1069736482 /nfs/dbraw/zinc/73/64/82/1069736482.db2.gz YDTCBXXWQXJXSU-TXXWUTRGSA-N -1 1 465.572 -0.125 20 0 JBADMM COC(=O)CS(=O)(=O)[N-][C@@H](CCCNC(N)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001259033311 1069737895 /nfs/dbraw/zinc/73/78/95/1069737895.db2.gz KAKINGOECRQPLR-AWEZNQCLSA-N -1 1 468.488 -0.051 20 0 JBADMM COC(=O)CS(=O)(=O)[N-][C@H](CCCNC(N)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001259033312 1069738058 /nfs/dbraw/zinc/73/80/58/1069738058.db2.gz KAKINGOECRQPLR-CQSZACIVSA-N -1 1 468.488 -0.051 20 0 JBADMM NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259045577 1069737798 /nfs/dbraw/zinc/73/77/98/1069737798.db2.gz QITWCVIHJXTDHZ-GJZGRUSLSA-N -1 1 461.418 -0.339 20 0 JBADMM NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001259083703 1069738582 /nfs/dbraw/zinc/73/85/82/1069738582.db2.gz RUNSLDBXOMANET-STQMWFEESA-N -1 1 461.418 -0.339 20 0 JBADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1 ZINC001259146305 1069739266 /nfs/dbraw/zinc/73/92/66/1069739266.db2.gz YDRVWAYEYYXHRE-ICBNADEASA-N -1 1 489.524 -0.930 20 0 JBADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1 ZINC001259147112 1069739245 /nfs/dbraw/zinc/73/92/45/1069739245.db2.gz YDRVWAYEYYXHRE-GFEQUFNTSA-N -1 1 489.524 -0.930 20 0 JBADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1 ZINC001259177465 1069740069 /nfs/dbraw/zinc/74/00/69/1069740069.db2.gz APHRXPDQTUXWQL-LCWAXJCOSA-N -1 1 453.469 -0.131 20 0 JBADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1 ZINC001259178041 1069740268 /nfs/dbraw/zinc/74/02/68/1069740268.db2.gz APHRXPDQTUXWQL-SLHNCBLASA-N -1 1 453.469 -0.131 20 0 JBADMM Cc1ccc(CS(=O)(=O)[N-][C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)cc1 ZINC001259267186 1069741495 /nfs/dbraw/zinc/74/14/95/1069741495.db2.gz IAPWDVJTADSRPD-MXHNKVEKSA-N -1 1 462.532 -0.060 20 0 JBADMM O=C1[N-]S(=O)(=O)c2cc(NS(=O)(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 ZINC001259628569 1069749647 /nfs/dbraw/zinc/74/96/47/1069749647.db2.gz ZONZNZYIMWLDTR-UHFFFAOYSA-N -1 1 487.537 -0.060 20 0 JBADMM CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1 ZINC001259628968 1069749577 /nfs/dbraw/zinc/74/95/77/1069749577.db2.gz PJKBAJJGVDEPDG-UHFFFAOYSA-N -1 1 459.506 -0.729 20 0 JBADMM CCOC(=O)c1nnc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 ZINC001259629065 1069750520 /nfs/dbraw/zinc/75/05/20/1069750520.db2.gz WKBVGPZBCCWKKD-UHFFFAOYSA-N -1 1 460.490 -0.254 20 0 JBADMM 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