smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C(=O)CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000095604490 222358928 /nfs/dbraw/zinc/35/89/28/222358928.db2.gz UKJSTHOHCVSEOR-UHFFFAOYSA-N 1 1 384.414 -0.498 20 5 GBBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261961692 1072477672 /nfs/dbraw/zinc/47/76/72/1072477672.db2.gz PRZOKKQPBWOLKH-DOMZBBRYSA-N 1 1 398.441 -0.195 20 5 GBBDMO C[NH2+][C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000262041742 1073961762 /nfs/dbraw/zinc/96/17/62/1073961762.db2.gz GJJMCIHKGSBETG-AWEZNQCLSA-N 1 1 396.429 -0.317 20 5 GBBDMO C[NH2+][C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000262041745 1073961681 /nfs/dbraw/zinc/96/16/81/1073961681.db2.gz GJJMCIHKGSBETG-CQSZACIVSA-N 1 1 396.429 -0.317 20 5 GBBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262047259 1073961935 /nfs/dbraw/zinc/96/19/35/1073961935.db2.gz ZGENEZLJHPQTFD-DOMZBBRYSA-N 1 1 398.441 -0.195 20 5 GBBDMO [NH3+]Cc1nc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000262311659 1072600310 /nfs/dbraw/zinc/60/03/10/1072600310.db2.gz ZCBMXSFIQMEGJX-UHFFFAOYSA-N 1 1 382.402 -0.057 20 5 GBBDMO C[NH2+][C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000262559007 1072285794 /nfs/dbraw/zinc/28/57/94/1072285794.db2.gz QHMKVRROHOBYJY-AWEZNQCLSA-N 1 1 396.429 -0.317 20 5 GBBDMO C[NH2+][C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000262559008 1072285749 /nfs/dbraw/zinc/28/57/49/1072285749.db2.gz QHMKVRROHOBYJY-CQSZACIVSA-N 1 1 396.429 -0.317 20 5 GBBDMO C[NH2+][C@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000262585866 1072286801 /nfs/dbraw/zinc/28/68/01/1072286801.db2.gz VIJZONJEZCTXDU-AWEZNQCLSA-N 1 1 396.429 -0.317 20 5 GBBDMO C[NH2+][C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000262585867 1072286727 /nfs/dbraw/zinc/28/67/27/1072286727.db2.gz VIJZONJEZCTXDU-CQSZACIVSA-N 1 1 396.429 -0.317 20 5 GBBDMO C[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000263682190 1072324016 /nfs/dbraw/zinc/32/40/16/1072324016.db2.gz NSFWOMHWUOOVED-CYBMUJFWSA-N 1 1 399.473 -0.375 20 5 GBBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000263952265 1072335738 /nfs/dbraw/zinc/33/57/38/1072335738.db2.gz LEPOYMMYYCUSHD-CQSZACIVSA-N 1 1 379.417 -0.185 20 5 GBBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000274379385 530130930 /nfs/dbraw/zinc/13/09/30/530130930.db2.gz IQIIPWTZFSQTEC-UHFFFAOYSA-N 1 1 375.403 -0.042 20 5 GBBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000274419726 530147715 /nfs/dbraw/zinc/14/77/15/530147715.db2.gz QAKZQZIGMHYRNK-UHFFFAOYSA-N 1 1 375.403 -0.026 20 5 GBBDMO C[NH+]1CCN(C(=O)CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000274541146 1072468572 /nfs/dbraw/zinc/46/85/72/1072468572.db2.gz UMRAUVUGTVTCEO-UHFFFAOYSA-N 1 1 377.401 -0.395 20 5 GBBDMO CC[N@@H+](CCO)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274558483 1072599559 /nfs/dbraw/zinc/59/95/59/1072599559.db2.gz ONJLHJKVZLVSSQ-UHFFFAOYSA-N 1 1 388.446 -0.354 20 5 GBBDMO COc1ccc(C(=O)NCC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000275127319 1072251091 /nfs/dbraw/zinc/25/10/91/1072251091.db2.gz JIYIWRZMZAVOQJ-LBPRGKRZSA-N 1 1 380.401 -0.142 20 5 GBBDMO NS(=O)(=O)c1ccc(NCCC(=O)NCC(F)(F)C[NH3+])c([N+](=O)[O-])c1 ZINC000275133909 530131633 /nfs/dbraw/zinc/13/16/33/530131633.db2.gz NHZQITQWKVVTMQ-UHFFFAOYSA-N 1 1 381.361 -0.246 20 5 GBBDMO C[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000275146947 1072253042 /nfs/dbraw/zinc/25/30/42/1072253042.db2.gz QRNCFDUCUFRIKW-NSHDSACASA-N 1 1 376.369 -0.284 20 5 GBBDMO COc1ccc(C(=O)NCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000275426377 1072282292 /nfs/dbraw/zinc/28/22/92/1072282292.db2.gz JIYIWRZMZAVOQJ-GFCCVEGCSA-N 1 1 380.401 -0.142 20 5 GBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000275466742 1072285110 /nfs/dbraw/zinc/28/51/10/1072285110.db2.gz QRNCFDUCUFRIKW-LLVKDONJSA-N 1 1 376.369 -0.284 20 5 GBBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276442036 530270385 /nfs/dbraw/zinc/27/03/85/530270385.db2.gz YDQRZRJHUPLOGW-UHFFFAOYSA-N 1 1 375.403 -0.026 20 5 GBBDMO COCC[NH+]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000280806330 1073168744 /nfs/dbraw/zinc/16/87/44/1073168744.db2.gz QSHAPOSGUQAVHL-UHFFFAOYSA-N 1 1 376.369 -0.019 20 5 GBBDMO COCC[N@@H+](C)CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280844691 1073295244 /nfs/dbraw/zinc/29/52/44/1073295244.db2.gz VIKSWIPXFGNDAB-UHFFFAOYSA-N 1 1 388.446 -0.042 20 5 GBBDMO COCCC[N@@H+](C)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000281052563 1073408717 /nfs/dbraw/zinc/40/87/17/1073408717.db2.gz XRDJFBGZFGKVKK-UHFFFAOYSA-N 1 1 388.446 -0.042 20 5 GBBDMO CN1CC[NH+](CCCNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000281171175 1073412863 /nfs/dbraw/zinc/41/28/63/1073412863.db2.gz MUEMHKICGDYMTL-UHFFFAOYSA-N 1 1 399.473 -0.373 20 5 GBBDMO CCc1[nH]nc(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)c1[N+](=O)[O-] ZINC000281803019 1073451022 /nfs/dbraw/zinc/45/10/22/1073451022.db2.gz TVOLTNMMJBXCJM-UHFFFAOYSA-N 1 1 382.421 -0.257 20 5 GBBDMO CC[N@H+]1CCO[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000365728887 1073225710 /nfs/dbraw/zinc/22/57/10/1073225710.db2.gz ZGQNURFTUYJJHN-ZDUSSCGKSA-N 1 1 386.430 -0.290 20 5 GBBDMO CC[N@@H+]1CCO[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000365728887 1073225705 /nfs/dbraw/zinc/22/57/05/1073225705.db2.gz ZGQNURFTUYJJHN-ZDUSSCGKSA-N 1 1 386.430 -0.290 20 5 GBBDMO O=[N+]([O-])c1ccn(CCN2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC(O)C2)n1 ZINC000366933266 1072329547 /nfs/dbraw/zinc/32/95/47/1072329547.db2.gz SZMZHVWLYMIBBR-UHFFFAOYSA-N 1 1 394.392 -0.425 20 5 GBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000378171796 1073245064 /nfs/dbraw/zinc/24/50/64/1073245064.db2.gz SVWNHXAULLWJGW-AWEZNQCLSA-N 1 1 381.437 -0.503 20 5 GBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000378171797 1073244929 /nfs/dbraw/zinc/24/49/29/1073244929.db2.gz SVWNHXAULLWJGW-CQSZACIVSA-N 1 1 381.437 -0.503 20 5 GBBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)C[C@@H]21 ZINC000411034820 1072803746 /nfs/dbraw/zinc/80/37/46/1072803746.db2.gz YBBKRUCHWARIMK-HIFRSBDPSA-N 1 1 388.428 -0.199 20 5 GBBDMO COC(=O)[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413915191 1072338897 /nfs/dbraw/zinc/33/88/97/1072338897.db2.gz HEDHQQUGPFNFFJ-CYBMUJFWSA-N 1 1 378.385 -0.112 20 5 GBBDMO COC(=O)[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413915196 1072339526 /nfs/dbraw/zinc/33/95/26/1072339526.db2.gz HEDHQQUGPFNFFJ-ZDUSSCGKSA-N 1 1 378.385 -0.112 20 5 GBBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000415611759 1073212478 /nfs/dbraw/zinc/21/24/78/1073212478.db2.gz XVZKDGYBTQRMLS-AWEZNQCLSA-N 1 1 375.385 -0.044 20 5 GBBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000415611760 1073212128 /nfs/dbraw/zinc/21/21/28/1073212128.db2.gz XVZKDGYBTQRMLS-CQSZACIVSA-N 1 1 375.385 -0.044 20 5 GBBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416468222 530359136 /nfs/dbraw/zinc/35/91/36/530359136.db2.gz YAHOOMHCMPVGBU-UHFFFAOYSA-N 1 1 375.403 -0.026 20 5 GBBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417224330 1073301170 /nfs/dbraw/zinc/30/11/70/1073301170.db2.gz HXYQOTYVICYBPS-UHFFFAOYSA-N 1 1 397.457 -0.234 20 5 GBBDMO [NH3+]CC(F)(F)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417283699 530120389 /nfs/dbraw/zinc/12/03/89/530120389.db2.gz RKPOWRPPRHRDRW-UHFFFAOYSA-N 1 1 381.361 -0.234 20 5 GBBDMO [NH3+]CC(F)(F)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417329519 530120506 /nfs/dbraw/zinc/12/05/06/530120506.db2.gz UJTMYFNXDKBXOI-UHFFFAOYSA-N 1 1 381.361 -0.234 20 5 GBBDMO [NH3+]CC(F)(F)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417683885 530120753 /nfs/dbraw/zinc/12/07/53/530120753.db2.gz VOCYVISJMCBHHX-UHFFFAOYSA-N 1 1 381.361 -0.234 20 5 GBBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417774553 1073316376 /nfs/dbraw/zinc/31/63/76/1073316376.db2.gz ZJXIPDBXQAPGQK-UHFFFAOYSA-N 1 1 397.457 -0.234 20 5 GBBDMO COc1cc(CCNC(=O)C(=O)NCC(F)(F)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000419030815 1073757014 /nfs/dbraw/zinc/75/70/14/1073757014.db2.gz UAXMHBQBXVPZNB-UHFFFAOYSA-N 1 1 390.343 -0.019 20 5 GBBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420164837 1072264116 /nfs/dbraw/zinc/26/41/16/1072264116.db2.gz GSVWXBQVMSCEQY-UHFFFAOYSA-N 1 1 394.356 -0.805 20 5 GBBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420182163 1072263085 /nfs/dbraw/zinc/26/30/85/1072263085.db2.gz ZELPUZACFPNYMF-UHFFFAOYSA-N 1 1 399.354 -0.411 20 5 GBBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1C(=O)CCC1=O ZINC000420969537 1072305643 /nfs/dbraw/zinc/30/56/43/1072305643.db2.gz CKOAIZDQPOBJLB-UHFFFAOYSA-N 1 1 384.414 -0.046 20 5 GBBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1C(=O)CCC1=O ZINC000420969537 1072305639 /nfs/dbraw/zinc/30/56/39/1072305639.db2.gz CKOAIZDQPOBJLB-UHFFFAOYSA-N 1 1 384.414 -0.046 20 5 GBBDMO C[C@H]1NC(=O)N(CC[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000420970023 1072305711 /nfs/dbraw/zinc/30/57/11/1072305711.db2.gz DSBJWJYPSKSVQB-LLVKDONJSA-N 1 1 399.429 -0.255 20 5 GBBDMO C[C@H]1NC(=O)N(CC[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000420970023 1072305703 /nfs/dbraw/zinc/30/57/03/1072305703.db2.gz DSBJWJYPSKSVQB-LLVKDONJSA-N 1 1 399.429 -0.255 20 5 GBBDMO C[C@@H]1NC(=O)N(CC[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000420970025 1072306122 /nfs/dbraw/zinc/30/61/22/1072306122.db2.gz DSBJWJYPSKSVQB-NSHDSACASA-N 1 1 399.429 -0.255 20 5 GBBDMO C[C@@H]1NC(=O)N(CC[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000420970025 1072306113 /nfs/dbraw/zinc/30/61/13/1072306113.db2.gz DSBJWJYPSKSVQB-NSHDSACASA-N 1 1 399.429 -0.255 20 5 GBBDMO COC(=O)[C@@](C)(O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971678 530125154 /nfs/dbraw/zinc/12/51/54/530125154.db2.gz IRYDCLKKVVPBJR-AWEZNQCLSA-N 1 1 375.403 -0.271 20 5 GBBDMO COC(=O)[C@@](C)(O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971678 530125151 /nfs/dbraw/zinc/12/51/51/530125151.db2.gz IRYDCLKKVVPBJR-AWEZNQCLSA-N 1 1 375.403 -0.271 20 5 GBBDMO COC(=O)[C@](C)(O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971679 530125018 /nfs/dbraw/zinc/12/50/18/530125018.db2.gz IRYDCLKKVVPBJR-CQSZACIVSA-N 1 1 375.403 -0.271 20 5 GBBDMO COC(=O)[C@](C)(O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971679 530125014 /nfs/dbraw/zinc/12/50/14/530125014.db2.gz IRYDCLKKVVPBJR-CQSZACIVSA-N 1 1 375.403 -0.271 20 5 GBBDMO CNC(=O)NC(=O)CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420976402 1072305974 /nfs/dbraw/zinc/30/59/74/1072305974.db2.gz SVRDMKNFVGDMQA-UHFFFAOYSA-N 1 1 387.418 -0.349 20 5 GBBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000420998369 1072307779 /nfs/dbraw/zinc/30/77/79/1072307779.db2.gz BOLITDMGHUURSC-UHFFFAOYSA-N 1 1 399.473 -0.421 20 5 GBBDMO C[N@@H+](CCCS(N)(=O)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420999198 530125373 /nfs/dbraw/zinc/12/53/73/530125373.db2.gz BZAJNJUPJYOXQZ-UHFFFAOYSA-N 1 1 380.448 -0.517 20 5 GBBDMO C[N@H+](CCCS(N)(=O)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420999198 530125372 /nfs/dbraw/zinc/12/53/72/530125372.db2.gz BZAJNJUPJYOXQZ-UHFFFAOYSA-N 1 1 380.448 -0.517 20 5 GBBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1C(=O)CNC1=O ZINC000421001227 1072307924 /nfs/dbraw/zinc/30/79/24/1072307924.db2.gz DFIFKKGJLGTGDS-UHFFFAOYSA-N 1 1 385.402 -0.643 20 5 GBBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCN1C(=O)CNC1=O ZINC000421001227 1072307920 /nfs/dbraw/zinc/30/79/20/1072307920.db2.gz DFIFKKGJLGTGDS-UHFFFAOYSA-N 1 1 385.402 -0.643 20 5 GBBDMO C[N@@H+](CCCC(=O)NC(N)=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421017233 1072309329 /nfs/dbraw/zinc/30/93/29/1072309329.db2.gz LPCRIQRUECAGST-UHFFFAOYSA-N 1 1 387.418 -0.220 20 5 GBBDMO CNS(=O)(=O)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421033285 530126203 /nfs/dbraw/zinc/12/62/03/530126203.db2.gz XMVSAIWDPLAOLW-UHFFFAOYSA-N 1 1 394.475 -0.256 20 5 GBBDMO CNS(=O)(=O)CCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421033285 530126199 /nfs/dbraw/zinc/12/61/99/530126199.db2.gz XMVSAIWDPLAOLW-UHFFFAOYSA-N 1 1 394.475 -0.256 20 5 GBBDMO C[N@@H+](CCCN1C(=O)CNC1=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421033970 1072308703 /nfs/dbraw/zinc/30/87/03/1072308703.db2.gz XZFNVWYFCUQENA-UHFFFAOYSA-N 1 1 399.429 -0.253 20 5 GBBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000421971389 1072345498 /nfs/dbraw/zinc/34/54/98/1072345498.db2.gz ATBVZMCKDNCWBY-AWEZNQCLSA-N 1 1 386.430 -0.338 20 5 GBBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000421971389 1072345490 /nfs/dbraw/zinc/34/54/90/1072345490.db2.gz ATBVZMCKDNCWBY-AWEZNQCLSA-N 1 1 386.430 -0.338 20 5 GBBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000421971397 1072345326 /nfs/dbraw/zinc/34/53/26/1072345326.db2.gz ATBVZMCKDNCWBY-CQSZACIVSA-N 1 1 386.430 -0.338 20 5 GBBDMO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000421971397 1072345319 /nfs/dbraw/zinc/34/53/19/1072345319.db2.gz ATBVZMCKDNCWBY-CQSZACIVSA-N 1 1 386.430 -0.338 20 5 GBBDMO C[N@@H+](CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000422266319 1072434203 /nfs/dbraw/zinc/43/42/03/1072434203.db2.gz WHHCNKOVIWORPG-UHFFFAOYSA-N 1 1 376.417 -0.151 20 5 GBBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422275139 1072433905 /nfs/dbraw/zinc/43/39/05/1072433905.db2.gz ZYVHMSCNYIVXIU-CYBMUJFWSA-N 1 1 388.428 -0.009 20 5 GBBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422275140 1072434248 /nfs/dbraw/zinc/43/42/48/1072434248.db2.gz ZYVHMSCNYIVXIU-ZDUSSCGKSA-N 1 1 388.428 -0.009 20 5 GBBDMO COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422283592 1072434927 /nfs/dbraw/zinc/43/49/27/1072434927.db2.gz GONYWNHZMRPIQT-UHFFFAOYSA-N 1 1 394.432 -0.667 20 5 GBBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422283656 1072435200 /nfs/dbraw/zinc/43/52/00/1072435200.db2.gz NKPCCGZEKKUFCG-UHFFFAOYSA-N 1 1 387.400 -0.040 20 5 GBBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)n1 ZINC000425314473 1072678609 /nfs/dbraw/zinc/67/86/09/1072678609.db2.gz JRJSOGICNQKCRY-GFCCVEGCSA-N 1 1 382.421 -0.280 20 5 GBBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)n1 ZINC000425314913 1072679233 /nfs/dbraw/zinc/67/92/33/1072679233.db2.gz JRJSOGICNQKCRY-LBPRGKRZSA-N 1 1 382.421 -0.280 20 5 GBBDMO CNc1nc(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)ccc1[N+](=O)[O-] ZINC000425321847 1072682625 /nfs/dbraw/zinc/68/26/25/1072682625.db2.gz SOFRMPOZXKEAOE-GFCCVEGCSA-N 1 1 394.432 -0.060 20 5 GBBDMO CNc1nc(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)ccc1[N+](=O)[O-] ZINC000425321848 1072682826 /nfs/dbraw/zinc/68/28/26/1072682826.db2.gz SOFRMPOZXKEAOE-LBPRGKRZSA-N 1 1 394.432 -0.060 20 5 GBBDMO C[C@H](O)C[NH+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000428495684 1073675370 /nfs/dbraw/zinc/67/53/70/1073675370.db2.gz CWZDINSHNGEPDO-ZDUSSCGKSA-N 1 1 379.417 -0.081 20 5 GBBDMO C[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000428503767 1073776154 /nfs/dbraw/zinc/77/61/54/1073776154.db2.gz PXJJRHSWTQCAQP-LBPRGKRZSA-N 1 1 378.385 -0.155 20 5 GBBDMO C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000428513326 1073843786 /nfs/dbraw/zinc/84/37/86/1073843786.db2.gz FYKQOFWXBIKJED-GFCCVEGCSA-N 1 1 378.385 -0.155 20 5 GBBDMO C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000428513326 1073843773 /nfs/dbraw/zinc/84/37/73/1073843773.db2.gz FYKQOFWXBIKJED-GFCCVEGCSA-N 1 1 378.385 -0.155 20 5 GBBDMO C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000428513329 1073843452 /nfs/dbraw/zinc/84/34/52/1073843452.db2.gz FYKQOFWXBIKJED-LBPRGKRZSA-N 1 1 378.385 -0.155 20 5 GBBDMO C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000428513329 1073843447 /nfs/dbraw/zinc/84/34/47/1073843447.db2.gz FYKQOFWXBIKJED-LBPRGKRZSA-N 1 1 378.385 -0.155 20 5 GBBDMO C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000428526078 1073859408 /nfs/dbraw/zinc/85/94/08/1073859408.db2.gz GSNJNTDCEICVCI-CYBMUJFWSA-N 1 1 379.417 -0.081 20 5 GBBDMO C[C@@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000428526078 1073859401 /nfs/dbraw/zinc/85/94/01/1073859401.db2.gz GSNJNTDCEICVCI-CYBMUJFWSA-N 1 1 379.417 -0.081 20 5 GBBDMO C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000428526079 1073859753 /nfs/dbraw/zinc/85/97/53/1073859753.db2.gz GSNJNTDCEICVCI-ZDUSSCGKSA-N 1 1 379.417 -0.081 20 5 GBBDMO C[C@H]1CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000428526079 1073859740 /nfs/dbraw/zinc/85/97/40/1073859740.db2.gz GSNJNTDCEICVCI-ZDUSSCGKSA-N 1 1 379.417 -0.081 20 5 GBBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000428527453 1073859284 /nfs/dbraw/zinc/85/92/84/1073859284.db2.gz XFGZQJIWNJRYRQ-GFCCVEGCSA-N 1 1 380.401 -0.142 20 5 GBBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000428527453 1073859279 /nfs/dbraw/zinc/85/92/79/1073859279.db2.gz XFGZQJIWNJRYRQ-GFCCVEGCSA-N 1 1 380.401 -0.142 20 5 GBBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000428527454 1073859445 /nfs/dbraw/zinc/85/94/45/1073859445.db2.gz XFGZQJIWNJRYRQ-LBPRGKRZSA-N 1 1 380.401 -0.142 20 5 GBBDMO COc1ccc(C(=O)NCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000428527454 1073859439 /nfs/dbraw/zinc/85/94/39/1073859439.db2.gz XFGZQJIWNJRYRQ-LBPRGKRZSA-N 1 1 380.401 -0.142 20 5 GBBDMO C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@H+]1CCO ZINC000428547535 1073897231 /nfs/dbraw/zinc/89/72/31/1073897231.db2.gz PHWVVCBOJWKSLG-LLVKDONJSA-N 1 1 376.369 -0.284 20 5 GBBDMO C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@@H+]1CCO ZINC000428547535 1073897213 /nfs/dbraw/zinc/89/72/13/1073897213.db2.gz PHWVVCBOJWKSLG-LLVKDONJSA-N 1 1 376.369 -0.284 20 5 GBBDMO C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@H+]1CCO ZINC000428547536 1073897616 /nfs/dbraw/zinc/89/76/16/1073897616.db2.gz PHWVVCBOJWKSLG-NSHDSACASA-N 1 1 376.369 -0.284 20 5 GBBDMO C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@@H+]1CCO ZINC000428547536 1073897610 /nfs/dbraw/zinc/89/76/10/1073897610.db2.gz PHWVVCBOJWKSLG-NSHDSACASA-N 1 1 376.369 -0.284 20 5 GBBDMO O=C(CN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCCC1 ZINC000438792181 1072911452 /nfs/dbraw/zinc/91/14/52/1072911452.db2.gz OCAIIFCHMMBKAL-INIZCTEOSA-N 1 1 380.449 -0.218 20 5 GBBDMO O=C(CN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCCC1 ZINC000438792182 1072911699 /nfs/dbraw/zinc/91/16/99/1072911699.db2.gz OCAIIFCHMMBKAL-MRXNPFEDSA-N 1 1 380.449 -0.218 20 5 GBBDMO COCCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000440312384 530300165 /nfs/dbraw/zinc/30/01/65/530300165.db2.gz HBXYIAKZFSGGNQ-GXTWGEPZSA-N 1 1 376.435 -0.322 20 5 GBBDMO COCCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000440312385 530300276 /nfs/dbraw/zinc/30/02/76/530300276.db2.gz HBXYIAKZFSGGNQ-JSGCOSHPSA-N 1 1 376.435 -0.322 20 5 GBBDMO COCCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000440312386 530300304 /nfs/dbraw/zinc/30/03/04/530300304.db2.gz HBXYIAKZFSGGNQ-OCCSQVGLSA-N 1 1 376.435 -0.322 20 5 GBBDMO COCCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000440312387 530300431 /nfs/dbraw/zinc/30/04/31/530300431.db2.gz HBXYIAKZFSGGNQ-TZMCWYRMSA-N 1 1 376.435 -0.322 20 5 GBBDMO O=C(CN1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000441168472 1073630379 /nfs/dbraw/zinc/63/03/79/1073630379.db2.gz AQPZYRYIDBJOLZ-INIZCTEOSA-N 1 1 380.449 -0.218 20 5 GBBDMO O=C(CN1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000441168474 1073630321 /nfs/dbraw/zinc/63/03/21/1073630321.db2.gz AQPZYRYIDBJOLZ-MRXNPFEDSA-N 1 1 380.449 -0.218 20 5 GBBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441225561 530303349 /nfs/dbraw/zinc/30/33/49/530303349.db2.gz JKNSWULPRFKZLF-GXTWGEPZSA-N 1 1 375.451 -0.054 20 5 GBBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441225563 530303090 /nfs/dbraw/zinc/30/30/90/530303090.db2.gz JKNSWULPRFKZLF-JSGCOSHPSA-N 1 1 375.451 -0.054 20 5 GBBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441225565 530303244 /nfs/dbraw/zinc/30/32/44/530303244.db2.gz JKNSWULPRFKZLF-OCCSQVGLSA-N 1 1 375.451 -0.054 20 5 GBBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441225566 530303018 /nfs/dbraw/zinc/30/30/18/530303018.db2.gz JKNSWULPRFKZLF-TZMCWYRMSA-N 1 1 375.451 -0.054 20 5 GBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000442030893 1073241193 /nfs/dbraw/zinc/24/11/93/1073241193.db2.gz LPGDYQCIXZDQJH-KRWDZBQOSA-N 1 1 396.400 -0.259 20 5 GBBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000442030902 1073241587 /nfs/dbraw/zinc/24/15/87/1073241587.db2.gz LPGDYQCIXZDQJH-QGZVFWFLSA-N 1 1 396.400 -0.259 20 5 GBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000444383027 1073513821 /nfs/dbraw/zinc/51/38/21/1073513821.db2.gz PXJJRHSWTQCAQP-GFCCVEGCSA-N 1 1 378.385 -0.155 20 5 GBBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000444386183 1073512956 /nfs/dbraw/zinc/51/29/56/1073512956.db2.gz CWZDINSHNGEPDO-CYBMUJFWSA-N 1 1 379.417 -0.081 20 5 GBBDMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cn2)CC1 ZINC000445174791 1073566522 /nfs/dbraw/zinc/56/65/22/1073566522.db2.gz BCPNUCSVLXGGBO-UHFFFAOYSA-N 1 1 389.372 -0.082 20 5 GBBDMO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCO)CC1 ZINC000445734219 1073581065 /nfs/dbraw/zinc/58/10/65/1073581065.db2.gz PJIMKNUUBAMYLG-UHFFFAOYSA-N 1 1 386.430 -0.600 20 5 GBBDMO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000451070233 1073763667 /nfs/dbraw/zinc/76/36/67/1073763667.db2.gz XGXXITACKFMLSL-GFCCVEGCSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000451070233 1073763661 /nfs/dbraw/zinc/76/36/61/1073763661.db2.gz XGXXITACKFMLSL-GFCCVEGCSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000451070234 1073763767 /nfs/dbraw/zinc/76/37/67/1073763767.db2.gz XGXXITACKFMLSL-LBPRGKRZSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000451070234 1073763764 /nfs/dbraw/zinc/76/37/64/1073763764.db2.gz XGXXITACKFMLSL-LBPRGKRZSA-N 1 1 386.430 -0.602 20 5 GBBDMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472547140 1072945649 /nfs/dbraw/zinc/94/56/49/1072945649.db2.gz ZEJNSGWTZSZXGA-UHFFFAOYSA-N 1 1 381.364 -0.001 20 5 GBBDMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472573572 1072965319 /nfs/dbraw/zinc/96/53/19/1072965319.db2.gz HMEVJASXAOFZKM-UHFFFAOYSA-N 1 1 381.364 -0.047 20 5 GBBDMO C[C@](O)(CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000472635699 1073057449 /nfs/dbraw/zinc/05/74/49/1073057449.db2.gz LPTGJJNVGSAMKQ-INIZCTEOSA-N 1 1 384.364 -0.128 20 5 GBBDMO C[C@@](O)(CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000472635700 1073057257 /nfs/dbraw/zinc/05/72/57/1073057257.db2.gz LPTGJJNVGSAMKQ-MRXNPFEDSA-N 1 1 384.364 -0.128 20 5 GBBDMO C[C@](O)(CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000474561304 1073331095 /nfs/dbraw/zinc/33/10/95/1073331095.db2.gz UCPAYZDPEPBHDS-KRWDZBQOSA-N 1 1 380.401 -0.476 20 5 GBBDMO C[C@@](O)(CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000474561308 1073330804 /nfs/dbraw/zinc/33/08/04/1073330804.db2.gz UCPAYZDPEPBHDS-QGZVFWFLSA-N 1 1 380.401 -0.476 20 5 GBBDMO C[C@@](O)(CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000480481862 1072572942 /nfs/dbraw/zinc/57/29/42/1072572942.db2.gz KFTNVLSEWSWWAX-GOSISDBHSA-N 1 1 394.428 -0.086 20 5 GBBDMO NS(=O)(=O)CCN1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501010183 1072164334 /nfs/dbraw/zinc/16/43/34/1072164334.db2.gz IVDZERFKYVHGIK-UHFFFAOYSA-N 1 1 385.446 -0.171 20 5 GBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000503699231 1072480997 /nfs/dbraw/zinc/48/09/97/1072480997.db2.gz KWFKFUAWAPDXQW-UHFFFAOYSA-N 1 1 387.400 -0.353 20 5 GBBDMO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000510280297 1072307130 /nfs/dbraw/zinc/30/71/30/1072307130.db2.gz BGYUBUUUMOAVHQ-UHFFFAOYSA-N 1 1 393.448 -0.372 20 5 GBBDMO CN(C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000511090630 530078061 /nfs/dbraw/zinc/07/80/61/530078061.db2.gz NFPAMLMEMCAFOE-GXTWGEPZSA-N 1 1 375.451 -0.244 20 5 GBBDMO CN(C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000511090641 530078154 /nfs/dbraw/zinc/07/81/54/530078154.db2.gz NFPAMLMEMCAFOE-JSGCOSHPSA-N 1 1 375.451 -0.244 20 5 GBBDMO CN(C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000511090644 530077889 /nfs/dbraw/zinc/07/78/89/530077889.db2.gz NFPAMLMEMCAFOE-OCCSQVGLSA-N 1 1 375.451 -0.244 20 5 GBBDMO CN(C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000511090649 530077832 /nfs/dbraw/zinc/07/78/32/530077832.db2.gz NFPAMLMEMCAFOE-TZMCWYRMSA-N 1 1 375.451 -0.244 20 5 GBBDMO C[NH+]1CCN(C(=O)Cn2cc(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cn2)CC1 ZINC000511367279 1072858973 /nfs/dbraw/zinc/85/89/73/1072858973.db2.gz NWUCXKSJINNIBC-UHFFFAOYSA-N 1 1 388.388 -0.197 20 5 GBBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000512086575 1073631756 /nfs/dbraw/zinc/63/17/56/1073631756.db2.gz AXDYMTHBFKGHBC-UHFFFAOYSA-N 1 1 375.393 -0.695 20 5 GBBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000513210282 1073953773 /nfs/dbraw/zinc/95/37/73/1073953773.db2.gz LVGICBKKMAPCCN-UHFFFAOYSA-N 1 1 398.441 -0.062 20 5 GBBDMO CCC(CC)(NC(=O)C1C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)C1)C(N)=O ZINC000513231354 1073954630 /nfs/dbraw/zinc/95/46/30/1073954630.db2.gz HUJCXDILWZUXHA-UHFFFAOYSA-N 1 1 379.417 -0.151 20 5 GBBDMO CC(C)NS(=O)(=O)NCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516645744 530119607 /nfs/dbraw/zinc/11/96/07/530119607.db2.gz OVKUQGZASMDORC-UHFFFAOYSA-N 1 1 394.475 -0.210 20 5 GBBDMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000517020349 1072825504 /nfs/dbraw/zinc/82/55/04/1072825504.db2.gz AJYLDPDWEAGENS-UHFFFAOYSA-N 1 1 391.428 -0.154 20 5 GBBDMO CN(c1ncc([N+](=O)[O-])c(N)n1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000517601683 1072873663 /nfs/dbraw/zinc/87/36/63/1072873663.db2.gz VLZVINCJCKOWIG-UHFFFAOYSA-N 1 1 392.464 -0.358 20 5 GBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000517641571 1072875910 /nfs/dbraw/zinc/87/59/10/1072875910.db2.gz UWUWUNUBEOKNFI-CYBMUJFWSA-N 1 1 377.401 -0.318 20 5 GBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000517641572 1072875659 /nfs/dbraw/zinc/87/56/59/1072875659.db2.gz UWUWUNUBEOKNFI-ZDUSSCGKSA-N 1 1 377.401 -0.318 20 5 GBBDMO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000517950345 1072899373 /nfs/dbraw/zinc/89/93/73/1072899373.db2.gz ZBUZYHVRCGYNTJ-UHFFFAOYSA-N 1 1 386.430 -0.600 20 5 GBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000518963429 1072969996 /nfs/dbraw/zinc/96/99/96/1072969996.db2.gz WJEYJCNUIIEJQZ-AWEZNQCLSA-N 1 1 399.473 -0.375 20 5 GBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000518963430 1072970078 /nfs/dbraw/zinc/97/00/78/1072970078.db2.gz WJEYJCNUIIEJQZ-CQSZACIVSA-N 1 1 399.473 -0.375 20 5 GBBDMO COc1ccc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000520405472 1073832870 /nfs/dbraw/zinc/83/28/70/1073832870.db2.gz JAJHPMYOLFZPQP-UHFFFAOYSA-N 1 1 384.414 -0.337 20 5 GBBDMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 ZINC000520873485 1073233304 /nfs/dbraw/zinc/23/33/04/1073233304.db2.gz BYQYSERYEUFMSF-UHFFFAOYSA-N 1 1 393.448 -0.021 20 5 GBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000521158792 1073254641 /nfs/dbraw/zinc/25/46/41/1073254641.db2.gz GNKWXJKNJIIOLI-AWEZNQCLSA-N 1 1 399.473 -0.375 20 5 GBBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000521158793 1073254429 /nfs/dbraw/zinc/25/44/29/1073254429.db2.gz GNKWXJKNJIIOLI-CQSZACIVSA-N 1 1 399.473 -0.375 20 5 GBBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000521470199 1073271380 /nfs/dbraw/zinc/27/13/80/1073271380.db2.gz DVEXAVLMAKINCL-UHFFFAOYSA-N 1 1 399.429 -0.864 20 5 GBBDMO CN(C)c1nc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)cc[nH+]1 ZINC000525682978 1073636035 /nfs/dbraw/zinc/63/60/35/1073636035.db2.gz KEDFGTJUCDDPKQ-UHFFFAOYSA-N 1 1 387.400 -0.039 20 5 GBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000531941281 1073825051 /nfs/dbraw/zinc/82/50/51/1073825051.db2.gz BGUFWIVPPKQTRO-GFCCVEGCSA-N 1 1 383.430 -0.083 20 5 GBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000531941282 1073824638 /nfs/dbraw/zinc/82/46/38/1073824638.db2.gz BGUFWIVPPKQTRO-LBPRGKRZSA-N 1 1 383.430 -0.083 20 5 GBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000531966382 1073825104 /nfs/dbraw/zinc/82/51/04/1073825104.db2.gz JKVNRPPCMGJZND-AWEZNQCLSA-N 1 1 397.457 -0.015 20 5 GBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000531966383 1073824537 /nfs/dbraw/zinc/82/45/37/1073824537.db2.gz JKVNRPPCMGJZND-CQSZACIVSA-N 1 1 397.457 -0.015 20 5 GBBDMO CN(C)C(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000532115355 1073830089 /nfs/dbraw/zinc/83/00/89/1073830089.db2.gz GNQZDHXLMVOPQT-UHFFFAOYSA-N 1 1 385.446 -0.158 20 5 GBBDMO C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000550161852 1073026357 /nfs/dbraw/zinc/02/63/57/1073026357.db2.gz WSJFKCAZNNXCTO-LLVKDONJSA-N 1 1 386.430 -0.060 20 5 GBBDMO C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000550161853 1073026184 /nfs/dbraw/zinc/02/61/84/1073026184.db2.gz WSJFKCAZNNXCTO-NSHDSACASA-N 1 1 386.430 -0.060 20 5 GBBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000562990771 530114791 /nfs/dbraw/zinc/11/47/91/530114791.db2.gz FROXFUUKZIMAIM-GFCCVEGCSA-N 1 1 378.428 -0.228 20 5 GBBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000562990774 530115296 /nfs/dbraw/zinc/11/52/96/530115296.db2.gz FROXFUUKZIMAIM-LBPRGKRZSA-N 1 1 378.428 -0.228 20 5 GBBDMO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000566252117 530141895 /nfs/dbraw/zinc/14/18/95/530141895.db2.gz HODWBKOEBLLICP-JTQLQIEISA-N 1 1 378.357 -0.061 20 5 GBBDMO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000566252118 530142135 /nfs/dbraw/zinc/14/21/35/530142135.db2.gz HODWBKOEBLLICP-SNVBAGLBSA-N 1 1 378.357 -0.061 20 5 GBBDMO COc1ccc(CC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000571046162 1073648283 /nfs/dbraw/zinc/64/82/83/1073648283.db2.gz BEIQCXYDVVCRAN-UHFFFAOYSA-N 1 1 398.441 -0.408 20 5 GBBDMO COc1cc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1C ZINC000573247063 1072559443 /nfs/dbraw/zinc/55/94/43/1072559443.db2.gz XCQJBXLUTLUUEW-UHFFFAOYSA-N 1 1 398.441 -0.029 20 5 GBBDMO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580343903 1072913888 /nfs/dbraw/zinc/91/38/88/1072913888.db2.gz BRHINCRWLFCFGY-UHFFFAOYSA-N 1 1 394.413 -0.055 20 5 GBBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000580430083 1072915848 /nfs/dbraw/zinc/91/58/48/1072915848.db2.gz WBZCLEAURWJLDS-UHFFFAOYSA-N 1 1 382.442 -0.027 20 5 GBBDMO C[N@H+]1CC[C@](O)(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000581019121 1072926072 /nfs/dbraw/zinc/92/60/72/1072926072.db2.gz KDKQEHFTLXHZBE-HNNXBMFYSA-N 1 1 386.430 -0.554 20 5 GBBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000581019122 1072926131 /nfs/dbraw/zinc/92/61/31/1072926131.db2.gz KDKQEHFTLXHZBE-OAHLLOKOSA-N 1 1 386.430 -0.554 20 5 GBBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000582419884 1072352293 /nfs/dbraw/zinc/35/22/93/1072352293.db2.gz MTLLKMMODBQCQL-UHFFFAOYSA-N 1 1 384.414 -0.581 20 5 GBBDMO CCCc1[nH]nc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000583203051 1072442218 /nfs/dbraw/zinc/44/22/18/1072442218.db2.gz IYVWUKZJSIHMFT-UHFFFAOYSA-N 1 1 386.434 -0.670 20 5 GBBDMO CCCc1n[nH]c(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000583203051 1072442216 /nfs/dbraw/zinc/44/22/16/1072442216.db2.gz IYVWUKZJSIHMFT-UHFFFAOYSA-N 1 1 386.434 -0.670 20 5 GBBDMO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000584043378 1072525599 /nfs/dbraw/zinc/52/55/99/1072525599.db2.gz IAMAGSWEZFECJU-HNNXBMFYSA-N 1 1 389.412 -0.366 20 5 GBBDMO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000584043379 1072525453 /nfs/dbraw/zinc/52/54/53/1072525453.db2.gz IAMAGSWEZFECJU-OAHLLOKOSA-N 1 1 389.412 -0.366 20 5 GBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000584433722 1072559489 /nfs/dbraw/zinc/55/94/89/1072559489.db2.gz NMMGSNBUZBVEBB-GXTWGEPZSA-N 1 1 387.462 -0.054 20 5 GBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000584433723 1072559870 /nfs/dbraw/zinc/55/98/70/1072559870.db2.gz NMMGSNBUZBVEBB-JSGCOSHPSA-N 1 1 387.462 -0.054 20 5 GBBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000584433724 1072559593 /nfs/dbraw/zinc/55/95/93/1072559593.db2.gz NMMGSNBUZBVEBB-OCCSQVGLSA-N 1 1 387.462 -0.054 20 5 GBBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000584433725 1072559910 /nfs/dbraw/zinc/55/99/10/1072559910.db2.gz NMMGSNBUZBVEBB-TZMCWYRMSA-N 1 1 387.462 -0.054 20 5 GBBDMO CCn1cc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c([N+](=O)[O-])n1 ZINC000594845804 530449960 /nfs/dbraw/zinc/44/99/60/530449960.db2.gz ZZYHZLXZQKRCCE-UHFFFAOYSA-N 1 1 376.439 -0.548 20 5 GBBDMO CN(C)C(=O)CC[NH+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598604989 1072247930 /nfs/dbraw/zinc/24/79/30/1072247930.db2.gz RHWXQYNDUIINNN-UHFFFAOYSA-N 1 1 393.448 -0.178 20 5 GBBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000610713119 1072603493 /nfs/dbraw/zinc/60/34/93/1072603493.db2.gz VEHXKERMORIFMT-UHFFFAOYSA-N 1 1 377.401 -0.443 20 5 GBBDMO Cc1cc(C(=O)NCC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000610723726 1072243219 /nfs/dbraw/zinc/24/32/19/1072243219.db2.gz CVGJHLWUSJSVIH-UHFFFAOYSA-N 1 1 391.428 -0.135 20 5 GBBDMO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610926747 1072272846 /nfs/dbraw/zinc/27/28/46/1072272846.db2.gz LHNJSLAOQPCTFL-HZMBPMFUSA-N 1 1 386.430 0.000 20 5 GBBDMO Cc1c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610926747 1072272840 /nfs/dbraw/zinc/27/28/40/1072272840.db2.gz LHNJSLAOQPCTFL-HZMBPMFUSA-N 1 1 386.430 0.000 20 5 GBBDMO Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610926748 1072272349 /nfs/dbraw/zinc/27/23/49/1072272349.db2.gz LHNJSLAOQPCTFL-IINYFYTJSA-N 1 1 386.430 0.000 20 5 GBBDMO Cc1c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610926748 1072272338 /nfs/dbraw/zinc/27/23/38/1072272338.db2.gz LHNJSLAOQPCTFL-IINYFYTJSA-N 1 1 386.430 0.000 20 5 GBBDMO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610926749 1072272526 /nfs/dbraw/zinc/27/25/26/1072272526.db2.gz LHNJSLAOQPCTFL-QMTHXVAHSA-N 1 1 386.430 0.000 20 5 GBBDMO Cc1c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610926749 1072272515 /nfs/dbraw/zinc/27/25/15/1072272515.db2.gz LHNJSLAOQPCTFL-QMTHXVAHSA-N 1 1 386.430 0.000 20 5 GBBDMO Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610926750 1072272640 /nfs/dbraw/zinc/27/26/40/1072272640.db2.gz LHNJSLAOQPCTFL-YGRLFVJLSA-N 1 1 386.430 0.000 20 5 GBBDMO Cc1c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000610926750 1072272632 /nfs/dbraw/zinc/27/26/32/1072272632.db2.gz LHNJSLAOQPCTFL-YGRLFVJLSA-N 1 1 386.430 0.000 20 5 GBBDMO CCn1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])n1 ZINC000611105544 1072224574 /nfs/dbraw/zinc/22/45/74/1072224574.db2.gz GWTPRYDYLLKXLE-LLVKDONJSA-N 1 1 388.450 -0.323 20 5 GBBDMO CCNC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736573491 598241640 /nfs/dbraw/zinc/24/16/40/598241640.db2.gz IZJPJYGAVLAYNE-UHFFFAOYSA-N 1 1 375.393 -0.182 20 5 GBBDMO CCNC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736573491 598241639 /nfs/dbraw/zinc/24/16/39/598241639.db2.gz IZJPJYGAVLAYNE-UHFFFAOYSA-N 1 1 375.393 -0.182 20 5 GBBDMO CCOC[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736608030 598501914 /nfs/dbraw/zinc/50/19/14/598501914.db2.gz GKNBSYYQHYYJPL-GFCCVEGCSA-N 1 1 378.393 -0.311 20 5 GBBDMO CCOC[C@@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736608031 598502101 /nfs/dbraw/zinc/50/21/01/598502101.db2.gz GKNBSYYQHYYJPL-LBPRGKRZSA-N 1 1 378.393 -0.311 20 5 GBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821623412 607035557 /nfs/dbraw/zinc/03/55/57/607035557.db2.gz LDKZSRZTWGGUJZ-GFCCVEGCSA-N 1 1 387.404 -0.087 20 5 GBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821623413 607035596 /nfs/dbraw/zinc/03/55/96/607035596.db2.gz LDKZSRZTWGGUJZ-LBPRGKRZSA-N 1 1 387.404 -0.087 20 5 GBBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821624049 607035719 /nfs/dbraw/zinc/03/57/19/607035719.db2.gz YHLDRUPKAMUBCU-CYBMUJFWSA-N 1 1 387.404 -0.087 20 5 GBBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821624050 607035430 /nfs/dbraw/zinc/03/54/30/607035430.db2.gz YHLDRUPKAMUBCU-ZDUSSCGKSA-N 1 1 387.404 -0.087 20 5 GBBDMO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825856555 607747155 /nfs/dbraw/zinc/74/71/55/607747155.db2.gz WWQGBKMYFXOLTR-CYBMUJFWSA-N 1 1 385.406 -0.634 20 5 GBBDMO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825856556 607747245 /nfs/dbraw/zinc/74/72/45/607747245.db2.gz WWQGBKMYFXOLTR-ZDUSSCGKSA-N 1 1 385.406 -0.634 20 5 GBBDMO C[NH+](C)C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000825860808 607618539 /nfs/dbraw/zinc/61/85/39/607618539.db2.gz XGLMGCIZFFSMHM-JTQLQIEISA-N 1 1 397.417 -0.274 20 5 GBBDMO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCO1 ZINC000825860809 607618753 /nfs/dbraw/zinc/61/87/53/607618753.db2.gz XGLMGCIZFFSMHM-SNVBAGLBSA-N 1 1 397.417 -0.274 20 5 GBBDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000825933860 608064554 /nfs/dbraw/zinc/06/45/54/608064554.db2.gz HAOWDWXKTVDXFN-UHFFFAOYSA-N 1 1 388.392 -0.194 20 5 GBBDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934273 608034966 /nfs/dbraw/zinc/03/49/66/608034966.db2.gz LQFNPECSSRLMEX-JTQLQIEISA-N 1 1 391.396 -0.798 20 5 GBBDMO C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000825934275 608034646 /nfs/dbraw/zinc/03/46/46/608034646.db2.gz LQFNPECSSRLMEX-SNVBAGLBSA-N 1 1 391.396 -0.798 20 5 GBBDMO C[NH+]1CCC(O)(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000826028696 607641632 /nfs/dbraw/zinc/64/16/32/607641632.db2.gz GFLHPDXSFAOXKA-UHFFFAOYSA-N 1 1 397.417 -0.490 20 5 GBBDMO CN1CC[N@@H+](C)CC(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001142206249 1073729112 /nfs/dbraw/zinc/72/91/12/1073729112.db2.gz SFKONYMGOITKKW-UHFFFAOYSA-N 1 1 399.473 -0.517 20 5 GBBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001142206257 1073730792 /nfs/dbraw/zinc/73/07/92/1073730792.db2.gz SHILNVWWJXIJIQ-DOMZBBRYSA-N 1 1 397.457 -0.622 20 5 GBBDMO COC(=O)C(C(=O)OC)c1ncc(-n2cnc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167358586 1072425664 /nfs/dbraw/zinc/42/56/64/1072425664.db2.gz VOOYONLNOZBXGR-UHFFFAOYSA-N 1 1 376.329 -0.457 20 5 GBBDMO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001628917681 1070797208 /nfs/dbraw/zinc/79/72/08/1070797208.db2.gz MTFIIIDFAUUTHN-GXTWGEPZSA-N 1 1 397.457 -0.622 20 5 GBBDMO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001628917682 1070796596 /nfs/dbraw/zinc/79/65/96/1070796596.db2.gz MTFIIIDFAUUTHN-JSGCOSHPSA-N 1 1 397.457 -0.622 20 5 GBBDMO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001628917683 1070796683 /nfs/dbraw/zinc/79/66/83/1070796683.db2.gz MTFIIIDFAUUTHN-OCCSQVGLSA-N 1 1 397.457 -0.622 20 5 GBBDMO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001628917684 1070796646 /nfs/dbraw/zinc/79/66/46/1070796646.db2.gz MTFIIIDFAUUTHN-TZMCWYRMSA-N 1 1 397.457 -0.622 20 5 GBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001629140928 1070803946 /nfs/dbraw/zinc/80/39/46/1070803946.db2.gz KDOOBLCWVTWENM-PBHICJAKSA-N 1 1 394.428 -0.077 20 5 GBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001629140929 1070805466 /nfs/dbraw/zinc/80/54/66/1070805466.db2.gz KDOOBLCWVTWENM-RHSMWYFYSA-N 1 1 394.428 -0.077 20 5 GBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001629140930 1070804576 /nfs/dbraw/zinc/80/45/76/1070804576.db2.gz KDOOBLCWVTWENM-WMLDXEAASA-N 1 1 394.428 -0.077 20 5 GBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1=O ZINC001629140931 1070805623 /nfs/dbraw/zinc/80/56/23/1070805623.db2.gz KDOOBLCWVTWENM-YOEHRIQHSA-N 1 1 394.428 -0.077 20 5 GBBDMO COCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001629357428 1070814392 /nfs/dbraw/zinc/81/43/92/1070814392.db2.gz WLXXAICYVTWHIY-GFCCVEGCSA-N 1 1 386.430 -0.290 20 5 GBBDMO COCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC001629357429 1070813537 /nfs/dbraw/zinc/81/35/37/1070813537.db2.gz WLXXAICYVTWHIY-LBPRGKRZSA-N 1 1 386.430 -0.290 20 5 GBBDMO C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001629591135 1070825706 /nfs/dbraw/zinc/82/57/06/1070825706.db2.gz PBOBMSURERJOKI-GWCFXTLKSA-N 1 1 385.446 -0.394 20 5 GBBDMO C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001629591136 1070826709 /nfs/dbraw/zinc/82/67/09/1070826709.db2.gz PBOBMSURERJOKI-GXFFZTMASA-N 1 1 385.446 -0.394 20 5 GBBDMO C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001629591137 1070827872 /nfs/dbraw/zinc/82/78/72/1070827872.db2.gz PBOBMSURERJOKI-MFKMUULPSA-N 1 1 385.446 -0.394 20 5 GBBDMO C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001629591138 1070827530 /nfs/dbraw/zinc/82/75/30/1070827530.db2.gz PBOBMSURERJOKI-ZWNOBZJWSA-N 1 1 385.446 -0.394 20 5 GBBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001629912897 1070845416 /nfs/dbraw/zinc/84/54/16/1070845416.db2.gz BQYAXKLHBBPOOJ-UHFFFAOYSA-N 1 1 379.417 -0.137 20 5 GBBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001629962034 1070849875 /nfs/dbraw/zinc/84/98/75/1070849875.db2.gz FKIRIHVFIUQMLF-UHFFFAOYSA-N 1 1 378.385 -0.110 20 5 GBBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001629962034 1070849849 /nfs/dbraw/zinc/84/98/49/1070849849.db2.gz FKIRIHVFIUQMLF-UHFFFAOYSA-N 1 1 378.385 -0.110 20 5 GBBDMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC001631923885 1070925116 /nfs/dbraw/zinc/92/51/16/1070925116.db2.gz BAXINVSEEOEKFJ-CYBMUJFWSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC001631923885 1070925101 /nfs/dbraw/zinc/92/51/01/1070925101.db2.gz BAXINVSEEOEKFJ-CYBMUJFWSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC001631923886 1070925042 /nfs/dbraw/zinc/92/50/42/1070925042.db2.gz BAXINVSEEOEKFJ-ZDUSSCGKSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC001631923886 1070925032 /nfs/dbraw/zinc/92/50/32/1070925032.db2.gz BAXINVSEEOEKFJ-ZDUSSCGKSA-N 1 1 386.430 -0.602 20 5 GBBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001632819936 1070953651 /nfs/dbraw/zinc/95/36/51/1070953651.db2.gz CZHISNLEJPNJAW-UHFFFAOYSA-N 1 1 379.421 -0.389 20 5 GBBDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC001632820451 1070953375 /nfs/dbraw/zinc/95/33/75/1070953375.db2.gz QHFYQNBLZPDDTD-UHFFFAOYSA-N 1 1 392.416 -0.732 20 5 GBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001633005208 1070962315 /nfs/dbraw/zinc/96/23/15/1070962315.db2.gz ZBBHHRQHUFTVTD-HNNXBMFYSA-N 1 1 395.464 -0.113 20 5 GBBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001633005209 1070962700 /nfs/dbraw/zinc/96/27/00/1070962700.db2.gz ZBBHHRQHUFTVTD-OAHLLOKOSA-N 1 1 395.464 -0.113 20 5 GBBDMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC001637760777 1071147002 /nfs/dbraw/zinc/14/70/02/1071147002.db2.gz IAADDFOOGMTSNJ-UHFFFAOYSA-N 1 1 387.400 -0.262 20 5 GBBDMO C[NH+]1CCN(C(=O)CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001637760842 1071147279 /nfs/dbraw/zinc/14/72/79/1071147279.db2.gz LTLUTBWSFGZBBI-UHFFFAOYSA-N 1 1 378.389 -0.394 20 5 GBBDMO C[NH+]1CCN(C(=O)CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001637761002 1071147086 /nfs/dbraw/zinc/14/70/86/1071147086.db2.gz QNGRVIVPKRPYPU-UHFFFAOYSA-N 1 1 392.416 -0.716 20 5 GBBDMO Cc1c(C(=O)N2CCN(C3C[NH+](C)C3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001637960229 1071153081 /nfs/dbraw/zinc/15/30/81/1071153081.db2.gz JRZLRCQMDHDHPH-UHFFFAOYSA-N 1 1 397.457 -0.378 20 5 GBBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001639045919 1071199200 /nfs/dbraw/zinc/19/92/00/1071199200.db2.gz AQYNDMHNSWFBCX-GFCCVEGCSA-N 1 1 399.473 -0.002 20 5 GBBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001639045920 1071198945 /nfs/dbraw/zinc/19/89/45/1071198945.db2.gz AQYNDMHNSWFBCX-LBPRGKRZSA-N 1 1 399.473 -0.002 20 5 GBBDMO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC([NH2+]C2COC2)C1 ZINC001639675357 1071222582 /nfs/dbraw/zinc/22/25/82/1071222582.db2.gz NZCFJLWQMGLKSH-UHFFFAOYSA-N 1 1 384.414 -0.538 20 5 GBBDMO O=[N+]([O-])c1ccc(N2CC([NH2+]C3COC3)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001640459021 1071246022 /nfs/dbraw/zinc/24/60/22/1071246022.db2.gz LEABGNZYMSAZIZ-UHFFFAOYSA-N 1 1 398.441 -0.207 20 5 GBBDMO C[NH+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC001640817618 1071254832 /nfs/dbraw/zinc/25/48/32/1071254832.db2.gz ADBLCAUSVDDFMP-UHFFFAOYSA-N 1 1 391.428 -0.065 20 5 GBBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001640817668 1071255356 /nfs/dbraw/zinc/25/53/56/1071255356.db2.gz CSFWZDWZOGXZAB-GFCCVEGCSA-N 1 1 381.437 -0.283 20 5 GBBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001640817669 1071255435 /nfs/dbraw/zinc/25/54/35/1071255435.db2.gz CSFWZDWZOGXZAB-LBPRGKRZSA-N 1 1 381.437 -0.283 20 5 GBBDMO C[NH+]1CCN(C(=O)CNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC001640817883 1071255259 /nfs/dbraw/zinc/25/52/59/1071255259.db2.gz JNWQYXZXAZSMHP-UHFFFAOYSA-N 1 1 395.441 -0.324 20 5 GBBDMO Cc1c(C(=O)NCC(=O)N2CC[NH+](C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001640818097 1071254776 /nfs/dbraw/zinc/25/47/76/1071254776.db2.gz OXMAFULMQCNOOR-UHFFFAOYSA-N 1 1 387.400 -0.012 20 5 GBBDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1=O ZINC001642000869 1071288436 /nfs/dbraw/zinc/28/84/36/1071288436.db2.gz VIELRCODBBJTTQ-CYBMUJFWSA-N 1 1 382.421 -0.605 20 5 GBBDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1=O ZINC001642000870 1071288612 /nfs/dbraw/zinc/28/86/12/1071288612.db2.gz VIELRCODBBJTTQ-ZDUSSCGKSA-N 1 1 382.421 -0.605 20 5 GBBDMO NC(=O)C1(O)CC[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001643068016 1071320147 /nfs/dbraw/zinc/32/01/47/1071320147.db2.gz FYBWPQJEOZMNMO-UHFFFAOYSA-N 1 1 391.428 -0.444 20 5 GBBDMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001643702002 1071344548 /nfs/dbraw/zinc/34/45/48/1071344548.db2.gz YUAGCNKNPHCEAS-BDJLRTHQSA-N 1 1 398.441 -0.272 20 5 GBBDMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001643702005 1071344789 /nfs/dbraw/zinc/34/47/89/1071344789.db2.gz YUAGCNKNPHCEAS-BZNIZROVSA-N 1 1 398.441 -0.272 20 5 GBBDMO O=C(NC[C@@]1(CO)COCC[NH2+]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001643702007 1071344456 /nfs/dbraw/zinc/34/44/56/1071344456.db2.gz YUAGCNKNPHCEAS-MEDUHNTESA-N 1 1 398.441 -0.272 20 5 GBBDMO O=C(NC[C@]1(CO)COCC[NH2+]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001643702009 1071344144 /nfs/dbraw/zinc/34/41/44/1071344144.db2.gz YUAGCNKNPHCEAS-ZBEGNZNMSA-N 1 1 398.441 -0.272 20 5 GBBDMO O=C(C[N@@H+]1C[C@H](CO)[C@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001644246857 1071367789 /nfs/dbraw/zinc/36/77/89/1071367789.db2.gz TUVOHSTWRSYEGS-GASCZTMLSA-N 1 1 378.429 -0.224 20 5 GBBDMO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001644702435 1071388686 /nfs/dbraw/zinc/38/86/86/1071388686.db2.gz CNLRNXJVNKJGDU-UONOGXRCSA-N 1 1 390.396 -0.012 20 5 GBBDMO C[NH+]1CC(N2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001645187756 1071410921 /nfs/dbraw/zinc/41/09/21/1071410921.db2.gz VFOSIARTVKXKRF-UHFFFAOYSA-N 1 1 390.444 -0.148 20 5 GBBDMO CN1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC001645405665 1071422019 /nfs/dbraw/zinc/42/20/19/1071422019.db2.gz LIJPTGIGEJDNDK-UHFFFAOYSA-N 1 1 385.446 -0.438 20 5 GBBDMO CN1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC001645405665 1071422006 /nfs/dbraw/zinc/42/20/06/1071422006.db2.gz LIJPTGIGEJDNDK-UHFFFAOYSA-N 1 1 385.446 -0.438 20 5 GBBDMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC001647905383 1071458733 /nfs/dbraw/zinc/45/87/33/1071458733.db2.gz AWHDUXBWOICMLW-CYBMUJFWSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC001647905383 1071458732 /nfs/dbraw/zinc/45/87/32/1071458732.db2.gz AWHDUXBWOICMLW-CYBMUJFWSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC001647905384 1071458621 /nfs/dbraw/zinc/45/86/21/1071458621.db2.gz AWHDUXBWOICMLW-ZDUSSCGKSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC001647905384 1071458620 /nfs/dbraw/zinc/45/86/20/1071458620.db2.gz AWHDUXBWOICMLW-ZDUSSCGKSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC001647905951 1071458648 /nfs/dbraw/zinc/45/86/48/1071458648.db2.gz XAJAJZHJZLRQGW-CYBMUJFWSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC001647905951 1071458645 /nfs/dbraw/zinc/45/86/45/1071458645.db2.gz XAJAJZHJZLRQGW-CYBMUJFWSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[N@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC001647905952 1071458778 /nfs/dbraw/zinc/45/87/78/1071458778.db2.gz XAJAJZHJZLRQGW-ZDUSSCGKSA-N 1 1 386.430 -0.602 20 5 GBBDMO C[N@@H+]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](CO)C1 ZINC001647905952 1071458777 /nfs/dbraw/zinc/45/87/77/1071458777.db2.gz XAJAJZHJZLRQGW-ZDUSSCGKSA-N 1 1 386.430 -0.602 20 5 GBBDMO O=C(CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001648411953 1071483018 /nfs/dbraw/zinc/48/30/18/1071483018.db2.gz FYHVISHGWPDKPI-LLVKDONJSA-N 1 1 387.393 -0.103 20 5 GBBDMO O=C(CC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001648411953 1071483015 /nfs/dbraw/zinc/48/30/15/1071483015.db2.gz FYHVISHGWPDKPI-LLVKDONJSA-N 1 1 387.393 -0.103 20 5 GBBDMO O=C(CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001648411954 1071483171 /nfs/dbraw/zinc/48/31/71/1071483171.db2.gz FYHVISHGWPDKPI-NSHDSACASA-N 1 1 387.393 -0.103 20 5 GBBDMO O=C(CC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001648411954 1071483162 /nfs/dbraw/zinc/48/31/62/1071483162.db2.gz FYHVISHGWPDKPI-NSHDSACASA-N 1 1 387.393 -0.103 20 5 GBBDMO O=C(C[N@@H+]1CC[C@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001648426804 1071482838 /nfs/dbraw/zinc/48/28/38/1071482838.db2.gz OEUPARKSRXZRST-AWEZNQCLSA-N 1 1 398.441 -0.506 20 5 GBBDMO O=C(C[N@H+]1CC[C@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001648426804 1071482834 /nfs/dbraw/zinc/48/28/34/1071482834.db2.gz OEUPARKSRXZRST-AWEZNQCLSA-N 1 1 398.441 -0.506 20 5 GBBDMO O=C(C[N@@H+]1CC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001648426805 1071482919 /nfs/dbraw/zinc/48/29/19/1071482919.db2.gz OEUPARKSRXZRST-CQSZACIVSA-N 1 1 398.441 -0.506 20 5 GBBDMO O=C(C[N@H+]1CC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001648426805 1071482916 /nfs/dbraw/zinc/48/29/16/1071482916.db2.gz OEUPARKSRXZRST-CQSZACIVSA-N 1 1 398.441 -0.506 20 5 GBBDMO CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CN1CC[NH+](C)CC1 ZINC001648859909 1072335475 /nfs/dbraw/zinc/33/54/75/1072335475.db2.gz VSTJLVISTDBVFH-UHFFFAOYSA-N 1 1 399.473 -0.421 20 5 GBBDMO O=C(NC[C@]1(CO)COCC[NH2+]1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001648863566 1072336186 /nfs/dbraw/zinc/33/61/86/1072336186.db2.gz KGALMSQZRLIJSK-KRWDZBQOSA-N 1 1 380.401 -0.488 20 5 GBBDMO O=C(NC[C@@]1(CO)COCC[NH2+]1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001648863570 1072336326 /nfs/dbraw/zinc/33/63/26/1072336326.db2.gz KGALMSQZRLIJSK-QGZVFWFLSA-N 1 1 380.401 -0.488 20 5 GBBDMO C[NH+]1CCN(C(=O)CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC001648931117 1073604489 /nfs/dbraw/zinc/60/44/89/1073604489.db2.gz FAQPKZDUOWVIMF-UHFFFAOYSA-N 1 1 391.384 -0.790 20 5 GBBDMO Cc1cc(C(=O)NCC(=O)NCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001648931546 1073605635 /nfs/dbraw/zinc/60/56/35/1073605635.db2.gz RKOLYBAJPZJWJL-UHFFFAOYSA-N 1 1 377.401 -0.477 20 5 GBBDMO COc1ccc(C(=O)NCC(=O)NCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001653919738 1071570423 /nfs/dbraw/zinc/57/04/23/1071570423.db2.gz HPEBPVNHAKAZBG-UHFFFAOYSA-N 1 1 393.400 -0.777 20 5 GBBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001654881773 1071585723 /nfs/dbraw/zinc/58/57/23/1071585723.db2.gz LDDIFWMWNUQRTC-GFCCVEGCSA-N 1 1 397.413 -0.273 20 5 GBBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1 ZINC001654881773 1071585720 /nfs/dbraw/zinc/58/57/20/1071585720.db2.gz LDDIFWMWNUQRTC-GFCCVEGCSA-N 1 1 397.413 -0.273 20 5 GBBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001654881774 1071585830 /nfs/dbraw/zinc/58/58/30/1071585830.db2.gz LDDIFWMWNUQRTC-LBPRGKRZSA-N 1 1 397.413 -0.273 20 5 GBBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001654881774 1071585825 /nfs/dbraw/zinc/58/58/25/1071585825.db2.gz LDDIFWMWNUQRTC-LBPRGKRZSA-N 1 1 397.413 -0.273 20 5 GBBDMO COc1cc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001665351504 1071723383 /nfs/dbraw/zinc/72/33/83/1071723383.db2.gz FBSRTGWXWNTSAZ-UHFFFAOYSA-N 1 1 386.430 -0.002 20 5 GBBDMO COc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001665948839 1071737444 /nfs/dbraw/zinc/73/74/44/1071737444.db2.gz NGWDRPSQRWTALR-UHFFFAOYSA-N 1 1 386.430 -0.002 20 5 GBBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001678721920 1071882219 /nfs/dbraw/zinc/88/22/19/1071882219.db2.gz BGJQQPZVRNNDNW-IAOVAPTHSA-N 1 1 395.460 -0.076 20 5 GBBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001684356787 1071973820 /nfs/dbraw/zinc/97/38/20/1071973820.db2.gz QWVLEBHZELSNMR-ARFHVFGLSA-N 1 1 381.433 -0.466 20 5 GBBDMO