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(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1COCC[NH2+]1 ZINC000262616350 272807310 /nfs/dbraw/zinc/80/73/10/272807310.db2.gz LCSHNGPXHIAHCB-GFCCVEGCSA-N 1 1 358.376 -1.022 20 5 FABDMO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1COCC[NH2+]1 ZINC000262616353 483556138 /nfs/dbraw/zinc/55/61/38/483556138.db2.gz LCSHNGPXHIAHCB-LBPRGKRZSA-N 1 1 358.376 -1.022 20 5 FABDMO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1COCC[NH2+]1 ZINC000262629897 483558692 /nfs/dbraw/zinc/55/86/92/483558692.db2.gz VOANMRXWKOTTPC-GFCCVEGCSA-N 1 1 358.376 -1.022 20 5 FABDMO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1COCC[NH2+]1 ZINC000262629899 483557715 /nfs/dbraw/zinc/55/77/15/483557715.db2.gz VOANMRXWKOTTPC-LBPRGKRZSA-N 1 1 358.376 -1.022 20 5 FABDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1COCC[NH2+]1 ZINC000262643117 483561568 /nfs/dbraw/zinc/56/15/68/483561568.db2.gz QBCXFLGWUMAUNJ-JTQLQIEISA-N 1 1 358.376 -1.022 20 5 FABDMO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1COCC[NH2+]1 ZINC000262643119 483561469 /nfs/dbraw/zinc/56/14/69/483561469.db2.gz QBCXFLGWUMAUNJ-SNVBAGLBSA-N 1 1 358.376 -1.022 20 5 FABDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415389420 483270113 /nfs/dbraw/zinc/27/01/13/483270113.db2.gz SWXWAJUUEDNVNF-UHFFFAOYSA-N 1 1 370.391 -1.137 20 5 FABDMO Cn1c(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000424024380 483711520 /nfs/dbraw/zinc/71/15/20/483711520.db2.gz AAEVNXOLPFWKEE-UHFFFAOYSA-N 1 1 357.392 -1.007 20 5 FABDMO Cc1[nH]nc(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000424044435 483711591 /nfs/dbraw/zinc/71/15/91/483711591.db2.gz RRZOVDXYNXHEGP-UHFFFAOYSA-N 1 1 358.380 -1.314 20 5 FABDMO Cc1n[nH]c(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000424044435 483711589 /nfs/dbraw/zinc/71/15/89/483711589.db2.gz RRZOVDXYNXHEGP-UHFFFAOYSA-N 1 1 358.380 -1.314 20 5 FABDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424046159 483711402 /nfs/dbraw/zinc/71/14/02/483711402.db2.gz VGWUCWPLHSOQIS-UHFFFAOYSA-N 1 1 358.380 -1.763 20 5 FABDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424048710 483711361 /nfs/dbraw/zinc/71/13/61/483711361.db2.gz ZFHXGCZCXAYMSE-UHFFFAOYSA-N 1 1 358.380 -1.763 20 5 FABDMO C[C@](O)(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C[NH+]1CCOCC1 ZINC000467489050 483714823 /nfs/dbraw/zinc/71/48/23/483714823.db2.gz AAHFGGHPQJHZOZ-HNNXBMFYSA-N 1 1 354.363 -1.044 20 5 FABDMO C[C@@](O)(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C[NH+]1CCOCC1 ZINC000467489051 483714749 /nfs/dbraw/zinc/71/47/49/483714749.db2.gz AAHFGGHPQJHZOZ-OAHLLOKOSA-N 1 1 354.363 -1.044 20 5 FABDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000483917823 482961513 /nfs/dbraw/zinc/96/15/13/482961513.db2.gz KZGRXLZMFZKIHF-LLVKDONJSA-N 1 1 351.367 -1.049 20 5 FABDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000483917831 482961973 /nfs/dbraw/zinc/96/19/73/482961973.db2.gz KZGRXLZMFZKIHF-NSHDSACASA-N 1 1 351.367 -1.049 20 5 FABDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000498495332 483724133 /nfs/dbraw/zinc/72/41/33/483724133.db2.gz KQWYAFQTCJQRNU-LLVKDONJSA-N 1 1 351.367 -1.049 20 5 FABDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000498495333 483724100 /nfs/dbraw/zinc/72/41/00/483724100.db2.gz KQWYAFQTCJQRNU-NSHDSACASA-N 1 1 351.367 -1.049 20 5 FABDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566067437 482765966 /nfs/dbraw/zinc/76/59/66/482765966.db2.gz FARWHPJLMZLUMM-UHFFFAOYSA-N 1 1 371.375 -1.245 20 5 FABDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000566619030 482784511 /nfs/dbraw/zinc/78/45/11/482784511.db2.gz DXFJNGDOEUSGTJ-UHFFFAOYSA-N 1 1 372.407 -1.373 20 5 FABDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000571046176 482914879 /nfs/dbraw/zinc/91/48/79/482914879.db2.gz BHZGJAGGROOOSD-UHFFFAOYSA-N 1 1 372.407 -1.454 20 5 FABDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1 ZINC000579835405 482583663 /nfs/dbraw/zinc/58/36/63/482583663.db2.gz XHNOLBSYMNYJJV-UHFFFAOYSA-N 1 1 372.407 -1.129 20 5 FABDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000582004298 482731377 /nfs/dbraw/zinc/73/13/77/482731377.db2.gz LAZIOWYEAZYATR-UHFFFAOYSA-N 1 1 359.368 -2.368 20 5 FABDMO Cc1nn(C)c(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000592342885 483443408 /nfs/dbraw/zinc/44/34/08/483443408.db2.gz BNQANUYDMHRJQV-UHFFFAOYSA-N 1 1 372.407 -1.304 20 5 FABDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000592566538 483446723 /nfs/dbraw/zinc/44/67/23/483446723.db2.gz KUHXEUHCPOMPFW-UHFFFAOYSA-N 1 1 357.392 -1.007 20 5 FABDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000595791003 483506584 /nfs/dbraw/zinc/50/65/84/483506584.db2.gz SGRQBGOQPQJREK-RVMXOQNASA-N 1 1 360.392 -1.104 20 5 FABDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000595791003 483506581 /nfs/dbraw/zinc/50/65/81/483506581.db2.gz SGRQBGOQPQJREK-RVMXOQNASA-N 1 1 360.392 -1.104 20 5 FABDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000595791004 483506533 /nfs/dbraw/zinc/50/65/33/483506533.db2.gz SGRQBGOQPQJREK-XQHKEYJVSA-N 1 1 360.392 -1.104 20 5 FABDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000595791004 483506527 /nfs/dbraw/zinc/50/65/27/483506527.db2.gz SGRQBGOQPQJREK-XQHKEYJVSA-N 1 1 360.392 -1.104 20 5 FABDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000599101924 482553880 /nfs/dbraw/zinc/55/38/80/482553880.db2.gz NVJUIFDVTUILKU-JTQLQIEISA-N 1 1 372.407 -1.087 20 5 FABDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000599101935 482553347 /nfs/dbraw/zinc/55/33/47/482553347.db2.gz NVJUIFDVTUILKU-SNVBAGLBSA-N 1 1 372.407 -1.087 20 5 FABDMO CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599342590 482555416 /nfs/dbraw/zinc/55/54/16/482555416.db2.gz SKLQJEPVVVGNPS-UHFFFAOYSA-N 1 1 362.412 -1.031 20 5 FABDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCNC(=O)C1 ZINC000996428385 658306639 /nfs/dbraw/zinc/30/66/39/658306639.db2.gz AHKWAQKSDWOZNZ-VXGBXAGGSA-N 1 1 353.379 -1.809 20 5 FABDMO O=C(NCC1=CC[N@@H+](CCN2C(=O)CNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000675881 659346097 /nfs/dbraw/zinc/34/60/97/659346097.db2.gz XUTTZWADQAAJSN-VXGBXAGGSA-N 1 1 351.363 -1.048 20 5 FABDMO Cn1c(=O)cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n(C)c1=O ZINC001020140638 659222238 /nfs/dbraw/zinc/22/22/38/659222238.db2.gz QZAJFEHLSBSIHS-CNVPUSNMSA-N 1 1 351.363 -1.514 20 5 FABDMO Cn1c(=O)cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n(C)c1=O ZINC001022064935 657259380 /nfs/dbraw/zinc/25/93/80/657259380.db2.gz QZAJFEHLSBSIHS-RBLKWDMZSA-N 1 1 351.363 -1.514 20 5 FABDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775527 657765550 /nfs/dbraw/zinc/76/55/50/657765550.db2.gz FBNDRPUOCONFRL-LBELIVKGSA-N 1 1 358.420 -1.267 20 5 FABDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776611 657765650 /nfs/dbraw/zinc/76/56/50/657765650.db2.gz CPJSWIIYRQVDBF-HMUNZLOLSA-N 1 1 351.363 -1.360 20 5 FABDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776611 657765642 /nfs/dbraw/zinc/76/56/42/657765642.db2.gz CPJSWIIYRQVDBF-HMUNZLOLSA-N 1 1 351.363 -1.360 20 5 FABDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776611 657765637 /nfs/dbraw/zinc/76/56/37/657765637.db2.gz CPJSWIIYRQVDBF-HMUNZLOLSA-N 1 1 351.363 -1.360 20 5 FABDMO O=C(NCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001042976723 659255996 /nfs/dbraw/zinc/25/59/96/659255996.db2.gz QQMPZXSGIOOARX-VXGBXAGGSA-N 1 1 352.391 -1.031 20 5 FABDMO O=C(NCC1(O)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)C12CCC[NH+]1CCC2 ZINC001043969962 659280724 /nfs/dbraw/zinc/28/07/24/659280724.db2.gz IFWFDKZOJIAUFF-VXGBXAGGSA-N 1 1 352.391 -1.031 20 5 FABDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048812306 659324714 /nfs/dbraw/zinc/32/47/14/659324714.db2.gz FULGXBBDOAXABP-WRWGMCAJSA-N 1 1 351.363 -1.406 20 5 FABDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048812306 659324712 /nfs/dbraw/zinc/32/47/12/659324712.db2.gz FULGXBBDOAXABP-WRWGMCAJSA-N 1 1 351.363 -1.406 20 5 FABDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048812306 659324704 /nfs/dbraw/zinc/32/47/04/659324704.db2.gz FULGXBBDOAXABP-WRWGMCAJSA-N 1 1 351.363 -1.406 20 5 FABDMO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)N1CCOCC1 ZINC001048814701 659325043 /nfs/dbraw/zinc/32/50/43/659325043.db2.gz YDSWOIOJOOCCLU-XJFOESAGSA-N 1 1 352.391 -1.099 20 5 FABDMO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1)N1CCOCC1 ZINC001048814701 659325036 /nfs/dbraw/zinc/32/50/36/659325036.db2.gz YDSWOIOJOOCCLU-XJFOESAGSA-N 1 1 352.391 -1.099 20 5 FABDMO O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)N1CCOCC1 ZINC001048814701 659325030 /nfs/dbraw/zinc/32/50/30/659325030.db2.gz YDSWOIOJOOCCLU-XJFOESAGSA-N 1 1 352.391 -1.099 20 5 FABDMO CC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055500105 659337202 /nfs/dbraw/zinc/33/72/02/659337202.db2.gz CQHJIVDGWLKZMT-CHWSQXEVSA-N 1 1 355.395 -1.516 20 5 FABDMO NC(=O)NCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055511591 659337046 /nfs/dbraw/zinc/33/70/46/659337046.db2.gz DMEZADVSVQIYTL-GHMZBOCLSA-N 1 1 356.383 -1.983 20 5 FABDMO CNC(=O)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055565085 659338195 /nfs/dbraw/zinc/33/81/95/659338195.db2.gz SUGXUUOKBKVIMV-VXGBXAGGSA-N 1 1 355.395 -1.516 20 5 FABDMO NC(=O)NCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574871 659337919 /nfs/dbraw/zinc/33/79/19/659337919.db2.gz BFHCEAMGUKWRGC-GHMZBOCLSA-N 1 1 356.383 -1.983 20 5 FABDMO CC(=O)NCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574887 659337627 /nfs/dbraw/zinc/33/76/27/659337627.db2.gz CCDXNKYJVIILTE-CHWSQXEVSA-N 1 1 355.395 -1.516 20 5 FABDMO CNC(=O)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574985 659338239 /nfs/dbraw/zinc/33/82/39/659338239.db2.gz HCTKMFRDDGKQTK-VXGBXAGGSA-N 1 1 355.395 -1.516 20 5 FABDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001072725570 680098537 /nfs/dbraw/zinc/09/85/37/680098537.db2.gz OTRNCKGFAGQVHD-GHMZBOCLSA-N 1 1 351.363 -1.262 20 5 FABDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCN1C(=O)CNC1=O)C2 ZINC001072725570 680098536 /nfs/dbraw/zinc/09/85/36/680098536.db2.gz OTRNCKGFAGQVHD-GHMZBOCLSA-N 1 1 351.363 -1.262 20 5 FABDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCN1C(=O)CNC1=O)C2 ZINC001072725570 680098533 /nfs/dbraw/zinc/09/85/33/680098533.db2.gz OTRNCKGFAGQVHD-GHMZBOCLSA-N 1 1 351.363 -1.262 20 5 FABDMO C[NH+](C)CCC(=O)N1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001073568778 680099322 /nfs/dbraw/zinc/09/93/22/680099322.db2.gz BLHWGBGOOHMBMI-ZIAGYGMSSA-N 1 1 353.423 -1.042 20 5 FABDMO C[NH+](C)CCC(=O)N1CCN(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001073598736 680099426 /nfs/dbraw/zinc/09/94/26/680099426.db2.gz JFHZVKPOYHOLOQ-ZIAGYGMSSA-N 1 1 353.423 -1.042 20 5 FABDMO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCNC(=O)C1 ZINC001086083482 790663983 /nfs/dbraw/zinc/66/39/83/790663983.db2.gz ZRMSCGFALSJLFJ-WRWGMCAJSA-N 1 1 353.379 -1.906 20 5 FABDMO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCNC(=O)C1 ZINC001086363532 790668531 /nfs/dbraw/zinc/66/85/31/790668531.db2.gz ZRMSCGFALSJLFJ-DDHJBXDOSA-N 1 1 353.379 -1.906 20 5 FABDMO NC(=O)NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098364928 792582878 /nfs/dbraw/zinc/58/28/78/792582878.db2.gz FCXRXXSBHGDJBS-GHMZBOCLSA-N 1 1 357.367 -1.868 20 5 FABDMO NC(=O)NC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098364928 792582873 /nfs/dbraw/zinc/58/28/73/792582873.db2.gz FCXRXXSBHGDJBS-GHMZBOCLSA-N 1 1 357.367 -1.868 20 5 FABDMO NC(=O)NC(=O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098364928 792582867 /nfs/dbraw/zinc/58/28/67/792582867.db2.gz FCXRXXSBHGDJBS-GHMZBOCLSA-N 1 1 357.367 -1.868 20 5 FABDMO CS(=O)(=O)CCN(CCO)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001098365466 790645313 /nfs/dbraw/zinc/64/53/13/790645313.db2.gz NNIDRDFOIQFJNX-CHWSQXEVSA-N 1 1 363.436 -1.019 20 5 FABDMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001116958372 792698814 /nfs/dbraw/zinc/69/88/14/792698814.db2.gz NRTHDLSRBHGIQN-UHFFFAOYSA-N 1 1 354.367 -1.254 20 5 FABDMO CC(=O)N1CCC(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001126936924 790413112 /nfs/dbraw/zinc/41/31/12/790413112.db2.gz XCEPTIOLYKWFAZ-CHWSQXEVSA-N 1 1 355.395 -1.516 20 5 FABDMO COCCCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938491 790413163 /nfs/dbraw/zinc/41/31/63/790413163.db2.gz BODVXGLKOUTHQG-GHMZBOCLSA-N 1 1 352.413 -1.687 20 5 FABDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)NCc1ccco1 ZINC001126938926 790413039 /nfs/dbraw/zinc/41/30/39/790413039.db2.gz NUBVKDCLPQPNBQ-GHMZBOCLSA-N 1 1 353.335 -1.024 20 5 FABDMO Cn1cc(S(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001126939447 790413006 /nfs/dbraw/zinc/41/30/06/790413006.db2.gz YYCZZYAKMBOHJD-GHMZBOCLSA-N 1 1 360.396 -1.931 20 5 FABDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC(=O)NCC(F)(F)F ZINC001126942637 790413191 /nfs/dbraw/zinc/41/31/91/790413191.db2.gz CTHIFQQECKDCAL-RNFRBKRXSA-N 1 1 355.273 -1.255 20 5 FABDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCCN1CCCC1=O ZINC001126943678 790412905 /nfs/dbraw/zinc/41/29/05/790412905.db2.gz SBHUJWGHYLHMRI-VXGBXAGGSA-N 1 1 355.395 -1.514 20 5 FABDMO CNC(=O)C1CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001126948491 790413146 /nfs/dbraw/zinc/41/31/46/790413146.db2.gz AIHYGRNVADMJCT-VXGBXAGGSA-N 1 1 355.395 -1.658 20 5 FABDMO CC(C)(C)NC(=O)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157766975 792876363 /nfs/dbraw/zinc/87/63/63/792876363.db2.gz CMVXJYITJUWHBO-GHMZBOCLSA-N 1 1 357.411 -1.222 20 5 FABDMO O=C(C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCC(=O)N1CCCC1 ZINC001157774804 792876307 /nfs/dbraw/zinc/87/63/07/792876307.db2.gz ATWXUZLLWBAIBI-VXGBXAGGSA-N 1 1 355.395 -1.514 20 5 FABDMO COCCCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775323 792876158 /nfs/dbraw/zinc/87/61/58/792876158.db2.gz OWLUGLLRKOFISY-VXGBXAGGSA-N 1 1 366.440 -1.297 20 5 FABDMO CC(=O)N1CCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001157775597 792876386 /nfs/dbraw/zinc/87/63/86/792876386.db2.gz RKTXCANYRPQEOD-CHWSQXEVSA-N 1 1 355.395 -1.562 20 5 FABDMO NC(=O)C1CCN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001157775671 792876881 /nfs/dbraw/zinc/87/68/81/792876881.db2.gz VOHSRINTUUNPQX-VXGBXAGGSA-N 1 1 355.395 -1.529 20 5 FABDMO CCCNC(=O)CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157775838 792876677 /nfs/dbraw/zinc/87/66/77/792876677.db2.gz ZXBROGGZOAYOKD-VXGBXAGGSA-N 1 1 357.411 -1.268 20 5 FABDMO CCOC(=O)c1nc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1[N+](=O)[O-] ZINC001162436855 792918224 /nfs/dbraw/zinc/91/82/24/792918224.db2.gz QDJCZFZBHJCUGA-BWVDBABLSA-N 1 1 372.773 -1.288 20 5 FABDMO CCOC(=O)c1nc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1[N+](=O)[O-] ZINC001162436856 792918313 /nfs/dbraw/zinc/91/83/13/792918313.db2.gz QDJCZFZBHJCUGA-CNUIFLNQSA-N 1 1 372.773 -1.288 20 5 FABDMO CCOC(=O)c1nc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1[N+](=O)[O-] ZINC001162436857 792918014 /nfs/dbraw/zinc/91/80/14/792918014.db2.gz QDJCZFZBHJCUGA-XVYDVKMFSA-N 1 1 372.773 -1.288 20 5 FABDMO CCOC(=O)c1nc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1[N+](=O)[O-] ZINC001162436858 792918302 /nfs/dbraw/zinc/91/83/02/792918302.db2.gz QDJCZFZBHJCUGA-YEPSODPASA-N 1 1 372.773 -1.288 20 5 FABDMO COC(=O)c1nc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1[N+](=O)[O-] ZINC001162438719 792917986 /nfs/dbraw/zinc/91/79/86/792917986.db2.gz ZUXSXLWUVRFJBZ-APQOSEDMSA-N 1 1 358.746 -1.678 20 5 FABDMO COC(=O)c1nc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1[N+](=O)[O-] ZINC001162438720 792918082 /nfs/dbraw/zinc/91/80/82/792918082.db2.gz ZUXSXLWUVRFJBZ-DTLFHODZSA-N 1 1 358.746 -1.678 20 5 FABDMO COC(=O)c1nc(Cl)nc(N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1[N+](=O)[O-] ZINC001162438721 792918028 /nfs/dbraw/zinc/91/80/28/792918028.db2.gz ZUXSXLWUVRFJBZ-GEVIPFJHSA-N 1 1 358.746 -1.678 20 5 FABDMO COC(=O)c1nc(Cl)nc(N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1[N+](=O)[O-] ZINC001162438722 792918292 /nfs/dbraw/zinc/91/82/92/792918292.db2.gz ZUXSXLWUVRFJBZ-MHSYXAOVSA-N 1 1 358.746 -1.678 20 5 FABDMO COC(=O)[C@@H]1CNCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165436145 792922736 /nfs/dbraw/zinc/92/27/36/792922736.db2.gz IADROQSKPUVRCT-JTQLQIEISA-N 1 1 351.367 -1.254 20 5 FABDMO COC(=O)[C@H]1CNCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165436147 792923032 /nfs/dbraw/zinc/92/30/32/792923032.db2.gz IADROQSKPUVRCT-SNVBAGLBSA-N 1 1 351.367 -1.254 20 5 FABDMO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261564113 794048695 /nfs/dbraw/zinc/04/86/95/794048695.db2.gz XHFXNEFYJQJHKZ-CMPLNLGQSA-N 1 1 352.351 -1.815 20 5 FABDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(=O)n(C)c(=O)n1C ZINC001266390884 789650595 /nfs/dbraw/zinc/65/05/95/789650595.db2.gz QLGFLQCPSBPNBW-VXGBXAGGSA-N 1 1 353.379 -1.313 20 5 FABDMO CC(=O)N1CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001267370991 789660676 /nfs/dbraw/zinc/66/06/76/789660676.db2.gz GSNOSVRMSKWQMX-CHWSQXEVSA-N 1 1 355.395 -1.610 20 5 FABDMO O=C(C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1)N1CCNC(=O)C1 ZINC001273084455 790545987 /nfs/dbraw/zinc/54/59/87/790545987.db2.gz PIDCWFYKIBDOSJ-GHMZBOCLSA-N 1 1 353.379 -1.762 20 5 FABDMO Cn1c(=O)cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])n(C)c1=O ZINC001274018269 792495816 /nfs/dbraw/zinc/49/58/16/792495816.db2.gz YUBGRKHNFORFJB-BLDJZWNYSA-N 1 1 351.363 -1.489 20 5 FABDMO Cn1c(=O)cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])n(C)c1=O ZINC001274018270 792495607 /nfs/dbraw/zinc/49/56/07/792495607.db2.gz YUBGRKHNFORFJB-OPVGQWETSA-N 1 1 351.363 -1.489 20 5 FABDMO CCS(=O)(=O)NCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001279362256 794099700 /nfs/dbraw/zinc/09/97/00/794099700.db2.gz FJAJPRAQLSDXMJ-YVECIDJPSA-N 1 1 360.436 -1.019 20 5 FABDMO CCS(=O)(=O)NCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001279362256 794099689 /nfs/dbraw/zinc/09/96/89/794099689.db2.gz FJAJPRAQLSDXMJ-YVECIDJPSA-N 1 1 360.436 -1.019 20 5 FABDMO CCS(=O)(=O)NCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001279362256 794099685 /nfs/dbraw/zinc/09/96/85/794099685.db2.gz FJAJPRAQLSDXMJ-YVECIDJPSA-N 1 1 360.436 -1.019 20 5 FABDMO O=C(NC1(CCO)CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001280553530 794124344 /nfs/dbraw/zinc/12/43/44/794124344.db2.gz CEHWKVBUFKUXJN-VXGBXAGGSA-N 1 1 352.391 -1.173 20 5 FABDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCN2CCNC2=O)CC1 ZINC001281614315 794134643 /nfs/dbraw/zinc/13/46/43/794134643.db2.gz YWSBFFZMJUXICK-VXGBXAGGSA-N 1 1 355.395 -1.380 20 5 FABDMO