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[NH3+]CCS(=O)(=O)Nc1cc2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001237675621 1069624101 /nfs/dbraw/zinc/62/41/01/1069624101.db2.gz FCDDFZAQECRFMH-UHFFFAOYSA-N -2 1 490.515 -0.720 20 0 JBADML CCCNC(=S)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001244924171 1069635342 /nfs/dbraw/zinc/63/53/42/1069635342.db2.gz BBINAGKVOOCPCE-AMIZOPFISA-N -2 1 472.574 -0.943 20 0 JBADML CC(C)CNC(=S)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001245280940 1069635269 /nfs/dbraw/zinc/63/52/69/1069635269.db2.gz KANPALPYRQBPLV-YMTOWFKASA-N -2 1 486.601 -0.697 20 0 JBADML Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC[C@@H](O)c3ccccc3)[C@H]2SC1 ZINC001252016807 1069681451 /nfs/dbraw/zinc/68/14/51/1069681451.db2.gz XWIDRDIMUBDBHH-SNUQEOBHSA-N -2 1 491.551 -0.494 20 0 JBADML Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC[C@H](O)c3ccccc3)[C@H]2SC1 ZINC001252016812 1069681570 /nfs/dbraw/zinc/68/15/70/1069681570.db2.gz XWIDRDIMUBDBHH-VEVIJQCQSA-N -2 1 491.551 -0.494 20 0 JBADML CCCC[C@@H](O)CN[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001252120648 1069682531 /nfs/dbraw/zinc/68/25/31/1069682531.db2.gz ZUNDYURBBQVZRO-GLKRBJQHSA-N -2 1 471.561 -0.676 20 0 JBADML CCCC[C@@H](O)CN[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001252120648 1069682523 /nfs/dbraw/zinc/68/25/23/1069682523.db2.gz ZUNDYURBBQVZRO-GLKRBJQHSA-N -2 1 471.561 -0.676 20 0 JBADML CCCC[C@H](O)CN[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001252120649 1069682451 /nfs/dbraw/zinc/68/24/51/1069682451.db2.gz ZUNDYURBBQVZRO-LYOVBCGYSA-N -2 1 471.561 -0.676 20 0 JBADML CCCC[C@H](O)CN[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001252120649 1069682446 /nfs/dbraw/zinc/68/24/46/1069682446.db2.gz ZUNDYURBBQVZRO-LYOVBCGYSA-N -2 1 471.561 -0.676 20 0 JBADML CCCCC[C@@H](O)CN[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001253564356 1069691134 /nfs/dbraw/zinc/69/11/34/1069691134.db2.gz VBUSQLXMDLTMOE-PSTGCABASA-N -2 1 485.588 -0.286 20 0 JBADML CCCCC[C@@H](O)CN[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001253564356 1069691124 /nfs/dbraw/zinc/69/11/24/1069691124.db2.gz VBUSQLXMDLTMOE-PSTGCABASA-N -2 1 485.588 -0.286 20 0 JBADML CCCCC[C@H](O)CN[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001253564357 1069691327 /nfs/dbraw/zinc/69/13/27/1069691327.db2.gz VBUSQLXMDLTMOE-XWCIJXRUSA-N -2 1 485.588 -0.286 20 0 JBADML CCCCC[C@H](O)CN[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001253564357 1069691321 /nfs/dbraw/zinc/69/13/21/1069691321.db2.gz VBUSQLXMDLTMOE-XWCIJXRUSA-N -2 1 485.588 -0.286 20 0 JBADML Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC[C@H](O)C(C)(C)C)[C@H]2SC1 ZINC001253749647 1069693001 /nfs/dbraw/zinc/69/30/01/1069693001.db2.gz ZGMMLQYQENIYPB-FEUHOPSXSA-N -2 1 471.561 -0.820 20 0 JBADML Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC[C@H](O)C(C)(C)C)[C@H]2SC1 ZINC001253749647 1069692994 /nfs/dbraw/zinc/69/29/94/1069692994.db2.gz ZGMMLQYQENIYPB-FEUHOPSXSA-N -2 1 471.561 -0.820 20 0 JBADML Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC[C@@H](O)C(C)(C)C)[C@H]2SC1 ZINC001253749654 1069692955 /nfs/dbraw/zinc/69/29/55/1069692955.db2.gz ZGMMLQYQENIYPB-IQMDTDKHSA-N -2 1 471.561 -0.820 20 0 JBADML Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC[C@@H](O)C(C)(C)C)[C@H]2SC1 ZINC001253749654 1069692952 /nfs/dbraw/zinc/69/29/52/1069692952.db2.gz ZGMMLQYQENIYPB-IQMDTDKHSA-N -2 1 471.561 -0.820 20 0 JBADML Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC3Cc4ccccc4C3)[C@H]2SC1 ZINC001255019042 1069710803 /nfs/dbraw/zinc/71/08/03/1069710803.db2.gz JXUZDBSQXSKSJD-AUUYWEPGSA-N -2 1 487.563 -0.060 20 0 JBADML Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC3Cc4ccccc4C3)[C@H]2SC1 ZINC001255019042 1069710797 /nfs/dbraw/zinc/71/07/97/1069710797.db2.gz JXUZDBSQXSKSJD-AUUYWEPGSA-N -2 1 487.563 -0.060 20 0 JBADML Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@H]3CCSC3)[C@H]2SC1 ZINC001255279072 1069713174 /nfs/dbraw/zinc/71/31/74/1069713174.db2.gz GKBALPRWKJNPKW-ATEUNZGCSA-N -2 1 457.559 -0.722 20 0 JBADML Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@H]3CCSC3)[C@H]2SC1 ZINC001255279072 1069713167 /nfs/dbraw/zinc/71/31/67/1069713167.db2.gz GKBALPRWKJNPKW-ATEUNZGCSA-N -2 1 457.559 -0.722 20 0 JBADML Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@@H]3CCSC3)[C@H]2SC1 ZINC001255279078 1069713125 /nfs/dbraw/zinc/71/31/25/1069713125.db2.gz GKBALPRWKJNPKW-RFXMVYNHSA-N -2 1 457.559 -0.722 20 0 JBADML Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@@H]3CCSC3)[C@H]2SC1 ZINC001255279078 1069713112 /nfs/dbraw/zinc/71/31/12/1069713112.db2.gz GKBALPRWKJNPKW-RFXMVYNHSA-N -2 1 457.559 -0.722 20 0 JBADML C[C@H](Cc1ccccn1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001256409496 1069721808 /nfs/dbraw/zinc/72/18/08/1069721808.db2.gz KZEJOXPFQIXXAZ-AJAPIDPKSA-N -2 1 490.567 -0.201 20 0 JBADML C[C@@H](Cc1ccccn1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001256409497 1069721700 /nfs/dbraw/zinc/72/17/00/1069721700.db2.gz KZEJOXPFQIXXAZ-CRPGXEFLSA-N -2 1 490.567 -0.201 20 0 JBADML C[C@H](Cc1ccncc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001256734346 1069723810 /nfs/dbraw/zinc/72/38/10/1069723810.db2.gz XRFZPTPESNILCN-AJAPIDPKSA-N -2 1 490.567 -0.201 20 0 JBADML C[C@H](Cc1ccncc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001256734346 1069723803 /nfs/dbraw/zinc/72/38/03/1069723803.db2.gz XRFZPTPESNILCN-AJAPIDPKSA-N -2 1 490.567 -0.201 20 0 JBADML C[C@@H](Cc1ccncc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001256734347 1069723417 /nfs/dbraw/zinc/72/34/17/1069723417.db2.gz XRFZPTPESNILCN-CRPGXEFLSA-N -2 1 490.567 -0.201 20 0 JBADML C[C@@H](Cc1ccncc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001256734347 1069723412 /nfs/dbraw/zinc/72/34/12/1069723412.db2.gz XRFZPTPESNILCN-CRPGXEFLSA-N -2 1 490.567 -0.201 20 0 JBADML Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@H]3CCCSC3)[C@H]2SC1 ZINC001257668997 1069727322 /nfs/dbraw/zinc/72/73/22/1069727322.db2.gz WMXKGASGQBMHGM-FEUHOPSXSA-N -2 1 471.586 -0.332 20 0 JBADML Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@H]3CCCSC3)[C@H]2SC1 ZINC001257668997 1069727302 /nfs/dbraw/zinc/72/73/02/1069727302.db2.gz WMXKGASGQBMHGM-FEUHOPSXSA-N -2 1 471.586 -0.332 20 0 JBADML Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@@H]3CCCSC3)[C@H]2SC1 ZINC001257669012 1069728247 /nfs/dbraw/zinc/72/82/47/1069728247.db2.gz WMXKGASGQBMHGM-IQMDTDKHSA-N -2 1 471.586 -0.332 20 0 JBADML Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@@H]3CCCSC3)[C@H]2SC1 ZINC001257669012 1069728240 /nfs/dbraw/zinc/72/82/40/1069728240.db2.gz WMXKGASGQBMHGM-IQMDTDKHSA-N -2 1 471.586 -0.332 20 0 JBADML Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+]C3CCC4(COC4)CC3)[C@H]2SC1 ZINC001257905186 1069729829 /nfs/dbraw/zinc/72/98/29/1069729829.db2.gz YZONDNZAJUEQPW-SJKOYZFVSA-N -2 1 495.583 -0.268 20 0 JBADML C[C@@H](Cc1ccco1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258185465 1069732161 /nfs/dbraw/zinc/73/21/61/1069732161.db2.gz PHCVMCLHABDKSO-DKRRZFASSA-N -2 1 479.540 -0.003 20 0 JBADML C[C@H](Cc1ccco1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258185466 1069732378 /nfs/dbraw/zinc/73/23/78/1069732378.db2.gz PHCVMCLHABDKSO-OGTWGDGJSA-N -2 1 479.540 -0.003 20 0 JBADML CSCC[C@@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258211197 1069732033 /nfs/dbraw/zinc/73/20/33/1069732033.db2.gz HBWBTHKWVFOATB-FFTROKDMSA-N -2 1 473.602 -0.086 20 0 JBADML CSCC[C@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258211198 1069732311 /nfs/dbraw/zinc/73/23/11/1069732311.db2.gz HBWBTHKWVFOATB-SVIKCVJRSA-N -2 1 473.602 -0.086 20 0 JBADML COC(=O)CC[C@@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258364180 1069733093 /nfs/dbraw/zinc/73/30/93/1069733093.db2.gz OAZZGFHFFGQVCT-IJJSKAQYSA-N -2 1 485.544 -0.886 20 0 JBADML COC(=O)CC[C@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258364181 1069732917 /nfs/dbraw/zinc/73/29/17/1069732917.db2.gz OAZZGFHFFGQVCT-VCAYMJSRSA-N -2 1 485.544 -0.886 20 0 JBADML CCOC(=O)CC[C@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258487648 1069734058 /nfs/dbraw/zinc/73/40/58/1069734058.db2.gz RVYKKCPIAGSGMP-DKRRZFASSA-N -2 1 499.571 -0.496 20 0 JBADML CCOC(=O)CC[C@@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258487667 1069734162 /nfs/dbraw/zinc/73/41/62/1069734162.db2.gz RVYKKCPIAGSGMP-OGTWGDGJSA-N -2 1 499.571 -0.496 20 0 JBADML C[C@H](Cc1cccnc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258620979 1069734901 /nfs/dbraw/zinc/73/49/01/1069734901.db2.gz VQYXYXSNUIRSPF-AJAPIDPKSA-N -2 1 490.567 -0.201 20 0 JBADML C[C@H](Cc1cccnc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258620979 1069734889 /nfs/dbraw/zinc/73/48/89/1069734889.db2.gz VQYXYXSNUIRSPF-AJAPIDPKSA-N -2 1 490.567 -0.201 20 0 JBADML C[C@@H](Cc1cccnc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001258620980 1069734658 /nfs/dbraw/zinc/73/46/58/1069734658.db2.gz VQYXYXSNUIRSPF-CRPGXEFLSA-N -2 1 490.567 -0.201 20 0 JBADML C[C@@H](Cc1cccnc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001258620980 1069734646 /nfs/dbraw/zinc/73/46/46/1069734646.db2.gz VQYXYXSNUIRSPF-CRPGXEFLSA-N -2 1 490.567 -0.201 20 0 JBADML O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)C2CCCC2)[C@H](O)[C@@H]1O ZINC001259794008 1069754095 /nfs/dbraw/zinc/75/40/95/1069754095.db2.gz LQGVDLHTVRHQKT-SDBHATRESA-N -2 1 479.408 -0.761 20 0 JBADML O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)C2CCCC2)[C@@H](O)[C@@H]1O ZINC001259794677 1069753997 /nfs/dbraw/zinc/75/39/97/1069753997.db2.gz LQGVDLHTVRHQKT-ADGXKJENSA-N -2 1 479.408 -0.761 20 0 JBADML O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)C2CCCCC2)[C@H](O)[C@@H]1O ZINC001259809244 1069754611 /nfs/dbraw/zinc/75/46/11/1069754611.db2.gz UTUYDHWXOMIBTM-XNIJJKJLSA-N -2 1 493.435 -0.371 20 0 JBADML O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3NS(=O)(=O)C2CCCCC2)[C@@H](O)[C@@H]1O ZINC001259809588 1069754688 /nfs/dbraw/zinc/75/46/88/1069754688.db2.gz UTUYDHWXOMIBTM-YGSHXTJESA-N -2 1 493.435 -0.371 20 0 JBADML CC[C@@H](C)S(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O ZINC001260724357 1069777433 /nfs/dbraw/zinc/77/74/33/1069777433.db2.gz IJCCAPWEGGTCLY-BAYCTPFLSA-N -2 1 467.397 -0.905 20 0 JBADML CC[C@H](C)S(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O ZINC001260724361 1069777542 /nfs/dbraw/zinc/77/75/42/1069777542.db2.gz IJCCAPWEGGTCLY-TWBCTODHSA-N -2 1 467.397 -0.905 20 0 JBADML CC[C@H](C)S(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O ZINC001260726925 1069777319 /nfs/dbraw/zinc/77/73/19/1069777319.db2.gz IJCCAPWEGGTCLY-GCVBLCJJSA-N -2 1 467.397 -0.905 20 0 JBADML CC[C@@H](C)S(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O ZINC001260726926 1069778156 /nfs/dbraw/zinc/77/81/56/1069778156.db2.gz IJCCAPWEGGTCLY-UDTSGEQISA-N -2 1 467.397 -0.905 20 0 JBADML