smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431911 344525116 /nfs/dbraw/zinc/52/51/16/344525116.db2.gz ZTQALIWZGSNTRN-QMMMGPOBSA-N 2 2 239.279 0.109 20 5 BCBDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431911 344525119 /nfs/dbraw/zinc/52/51/19/344525119.db2.gz ZTQALIWZGSNTRN-QMMMGPOBSA-N 2 2 239.279 0.109 20 5 BCBDLP C[NH2+]CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414820880 386675012 /nfs/dbraw/zinc/67/50/12/386675012.db2.gz KDKMKBCAPBYEAG-UHFFFAOYSA-N 2 2 209.249 0.904 20 5 BCBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415048726 387680480 /nfs/dbraw/zinc/68/04/80/387680480.db2.gz ZULWKUFAAZQGDN-GDNZZTSVSA-N 2 2 233.271 0.902 20 5 BCBDLP [NH3+]C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430571978 388729100 /nfs/dbraw/zinc/72/91/00/388729100.db2.gz OUJGIMNTFRDCJT-SECBINFHSA-N 2 2 239.279 0.214 20 5 BCBDLP [NH3+]C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430571978 388729102 /nfs/dbraw/zinc/72/91/02/388729102.db2.gz OUJGIMNTFRDCJT-SECBINFHSA-N 2 2 239.279 0.214 20 5 BCBDLP [NH3+]C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000430641190 388729859 /nfs/dbraw/zinc/72/98/59/388729859.db2.gz LLORSBPUHAXONJ-UHFFFAOYSA-N 2 2 239.279 0.214 20 5 BCBDLP CC[NH+](CC)CCC[NH2+]CC[N+](=O)[O-] ZINC000899859619 584242800 /nfs/dbraw/zinc/24/28/00/584242800.db2.gz LKHITGYXQFQHKV-UHFFFAOYSA-N 2 2 203.286 0.585 20 5 BCBDLP C[N@H+](CCC[NH3+])Cc1cccnc1[N+](=O)[O-] ZINC000886830622 585181004 /nfs/dbraw/zinc/18/10/04/585181004.db2.gz VFBGGHGJFOWBOQ-UHFFFAOYSA-N 2 2 224.264 0.770 20 5 BCBDLP C[N@@H+](CCC[NH3+])Cc1cccnc1[N+](=O)[O-] ZINC000886830622 585181005 /nfs/dbraw/zinc/18/10/05/585181005.db2.gz VFBGGHGJFOWBOQ-UHFFFAOYSA-N 2 2 224.264 0.770 20 5 BCBDLP C[C@@H]([NH2+]CC[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817936050 586843989 /nfs/dbraw/zinc/84/39/89/586843989.db2.gz MOSHVXQSISQSGC-SSDOTTSWSA-N 2 2 224.264 0.786 20 5 BCBDLP C[NH+]1CCC2(CC1)C[N@H+](CC[N+](=O)[O-])CCO2 ZINC000930823241 634118785 /nfs/dbraw/zinc/11/87/85/634118785.db2.gz GJMXCBAXPMFMLS-UHFFFAOYSA-N 2 2 243.307 0.060 20 5 BCBDLP C[NH+]1CCC2(CC1)C[N@@H+](CC[N+](=O)[O-])CCO2 ZINC000930823241 634118788 /nfs/dbraw/zinc/11/87/88/634118788.db2.gz GJMXCBAXPMFMLS-UHFFFAOYSA-N 2 2 243.307 0.060 20 5 BCBDLP C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CC[N@@H+]1C ZINC000905141002 637648388 /nfs/dbraw/zinc/64/83/88/637648388.db2.gz XEAVINMZPHWFQC-RKDXNWHRSA-N 2 2 201.270 0.335 20 5 BCBDLP C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CC[N@H+]1C ZINC000905141002 637648397 /nfs/dbraw/zinc/64/83/97/637648397.db2.gz XEAVINMZPHWFQC-RKDXNWHRSA-N 2 2 201.270 0.335 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000905264549 637717531 /nfs/dbraw/zinc/71/75/31/637717531.db2.gz TUVHZBIPAGPAND-ZETCQYMHSA-N 2 2 210.237 0.133 20 5 BCBDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842404 646352404 /nfs/dbraw/zinc/35/24/04/646352404.db2.gz CUCXHSCTFPDBFI-MNOVXSKESA-N 2 2 227.308 0.679 20 5 BCBDLP C[N@H+]1CCC[C@@H]2C[NH+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842404 646352407 /nfs/dbraw/zinc/35/24/07/646352407.db2.gz CUCXHSCTFPDBFI-MNOVXSKESA-N 2 2 227.308 0.679 20 5 BCBDLP C[NH+]1CCC[C@@H]2C[N@H+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842404 646352411 /nfs/dbraw/zinc/35/24/11/646352411.db2.gz CUCXHSCTFPDBFI-MNOVXSKESA-N 2 2 227.308 0.679 20 5 BCBDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842404 646352412 /nfs/dbraw/zinc/35/24/12/646352412.db2.gz CUCXHSCTFPDBFI-MNOVXSKESA-N 2 2 227.308 0.679 20 5 BCBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC[N+](=O)[O-])[C@@H](C)C1 ZINC000929999033 646390782 /nfs/dbraw/zinc/39/07/82/646390782.db2.gz ICCUIPFZTKNVME-QWRGUYRKSA-N 2 2 229.324 0.925 20 5 BCBDLP CC[N@H+]1CC[C@H]([NH+](C)CC[N+](=O)[O-])[C@@H](C)C1 ZINC000929999033 646390785 /nfs/dbraw/zinc/39/07/85/646390785.db2.gz ICCUIPFZTKNVME-QWRGUYRKSA-N 2 2 229.324 0.925 20 5 BCBDLP CC[NH+]1CC[C@H]([N@H+](C)CC[N+](=O)[O-])[C@@H](C)C1 ZINC000929999033 646390789 /nfs/dbraw/zinc/39/07/89/646390789.db2.gz ICCUIPFZTKNVME-QWRGUYRKSA-N 2 2 229.324 0.925 20 5 BCBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC[N+](=O)[O-])[C@@H](C)C1 ZINC000929999033 646390792 /nfs/dbraw/zinc/39/07/92/646390792.db2.gz ICCUIPFZTKNVME-QWRGUYRKSA-N 2 2 229.324 0.925 20 5 BCBDLP C[N@H+](CC[NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000420390286 192236853 /nfs/dbraw/zinc/23/68/53/192236853.db2.gz ZGXLGBZJXKOZME-UHFFFAOYSA-N 2 2 239.275 0.864 20 5 BCBDLP C[N@@H+](CC[NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000420390286 192236854 /nfs/dbraw/zinc/23/68/54/192236854.db2.gz ZGXLGBZJXKOZME-UHFFFAOYSA-N 2 2 239.275 0.864 20 5 BCBDLP CC[N@H+](C)C[C@H]1CC[NH+](CC[N+](=O)[O-])C1 ZINC000791053105 585973049 /nfs/dbraw/zinc/97/30/49/585973049.db2.gz SJCUZGDNMCADDA-SNVBAGLBSA-N 2 2 215.297 0.537 20 5 BCBDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC[N+](=O)[O-])C1 ZINC000791053105 585973050 /nfs/dbraw/zinc/97/30/50/585973050.db2.gz SJCUZGDNMCADDA-SNVBAGLBSA-N 2 2 215.297 0.537 20 5 BCBDLP CC[NH+](C)C[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000791053105 585973051 /nfs/dbraw/zinc/97/30/51/585973051.db2.gz SJCUZGDNMCADDA-SNVBAGLBSA-N 2 2 215.297 0.537 20 5 BCBDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791053105 585973052 /nfs/dbraw/zinc/97/30/52/585973052.db2.gz SJCUZGDNMCADDA-SNVBAGLBSA-N 2 2 215.297 0.537 20 5 BCBDLP C[C@H]([NH3+])C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000863568236 589299841 /nfs/dbraw/zinc/29/98/41/589299841.db2.gz IQUTUXBIRCPWTA-QMMMGPOBSA-N 2 2 227.268 0.070 20 5 BCBDLP C[C@H]([NH3+])C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000863568236 589299842 /nfs/dbraw/zinc/29/98/42/589299842.db2.gz IQUTUXBIRCPWTA-QMMMGPOBSA-N 2 2 227.268 0.070 20 5 BCBDLP C[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000905132476 637643971 /nfs/dbraw/zinc/64/39/71/637643971.db2.gz MGRLSCXPCNZGEI-VIFPVBQESA-N 2 2 217.313 0.829 20 5 BCBDLP C[N@H+](CC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000420389330 192234985 /nfs/dbraw/zinc/23/49/85/192234985.db2.gz YBJFEXOYUTZTCY-UHFFFAOYSA-N 2 2 239.275 0.864 20 5 BCBDLP C[N@@H+](CC[NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000420389330 192234988 /nfs/dbraw/zinc/23/49/88/192234988.db2.gz YBJFEXOYUTZTCY-UHFFFAOYSA-N 2 2 239.275 0.864 20 5 BCBDLP Cn1cc(C[NH2+]CC2([NH3+])CCC2)c([N+](=O)[O-])n1 ZINC000603428633 371893971 /nfs/dbraw/zinc/89/39/71/371893971.db2.gz KRWNZZWYIULYQQ-UHFFFAOYSA-N 2 2 239.279 0.299 20 5 BCBDLP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000430652888 387022623 /nfs/dbraw/zinc/02/26/23/387022623.db2.gz XXNWTKZVMLNRNX-UHFFFAOYSA-N 2 2 239.279 0.087 20 5 BCBDLP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[NH2+]CC2)c1 ZINC000430652888 387022626 /nfs/dbraw/zinc/02/26/26/387022626.db2.gz XXNWTKZVMLNRNX-UHFFFAOYSA-N 2 2 239.279 0.087 20 5 BCBDLP [NH3+]C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430568404 388728170 /nfs/dbraw/zinc/72/81/70/388728170.db2.gz KKPBCEVHMGVPNG-SECBINFHSA-N 2 2 239.279 0.214 20 5 BCBDLP [NH3+]C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430568404 388728172 /nfs/dbraw/zinc/72/81/72/388728172.db2.gz KKPBCEVHMGVPNG-SECBINFHSA-N 2 2 239.279 0.214 20 5 BCBDLP C[C@@H]1C[N@@H+](CCC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC000899865058 584245480 /nfs/dbraw/zinc/24/54/80/584245480.db2.gz PIFKGFYRTSBFTB-PHIMTYICSA-N 2 2 245.323 0.352 20 5 BCBDLP C[C@@H]1C[N@H+](CCC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC000899865058 584245482 /nfs/dbraw/zinc/24/54/82/584245482.db2.gz PIFKGFYRTSBFTB-PHIMTYICSA-N 2 2 245.323 0.352 20 5 BCBDLP O=[N+]([O-])CC[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000905035526 637556015 /nfs/dbraw/zinc/55/60/15/637556015.db2.gz FUDBLNMPZUECSW-UHFFFAOYSA-N 2 2 238.291 0.628 20 5 BCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000905032007 637577153 /nfs/dbraw/zinc/57/71/53/637577153.db2.gz ZHJXXIBCNXVXKR-UHFFFAOYSA-N 2 2 213.281 0.480 20 5 BCBDLP COCCC[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905086204 637585991 /nfs/dbraw/zinc/58/59/91/637585991.db2.gz BJYAPTQIRLIUBV-UHFFFAOYSA-N 2 2 245.323 0.354 20 5 BCBDLP C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CC[N@@H+]1C ZINC000905140999 637649029 /nfs/dbraw/zinc/64/90/29/637649029.db2.gz XEAVINMZPHWFQC-BDAKNGLRSA-N 2 2 201.270 0.335 20 5 BCBDLP C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CC[N@H+]1C ZINC000905140999 637649034 /nfs/dbraw/zinc/64/90/34/637649034.db2.gz XEAVINMZPHWFQC-BDAKNGLRSA-N 2 2 201.270 0.335 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000905218761 637700252 /nfs/dbraw/zinc/70/02/52/637700252.db2.gz OXLQFNWZIRJHBE-MRVPVSSYSA-N 2 2 210.237 0.064 20 5 BCBDLP C[N@@H+]1CCC[C@H]2C[NH+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842406 646352319 /nfs/dbraw/zinc/35/23/19/646352319.db2.gz CUCXHSCTFPDBFI-QWRGUYRKSA-N 2 2 227.308 0.679 20 5 BCBDLP C[N@H+]1CCC[C@H]2C[NH+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842406 646352320 /nfs/dbraw/zinc/35/23/20/646352320.db2.gz CUCXHSCTFPDBFI-QWRGUYRKSA-N 2 2 227.308 0.679 20 5 BCBDLP C[NH+]1CCC[C@H]2C[N@H+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842406 646352321 /nfs/dbraw/zinc/35/23/21/646352321.db2.gz CUCXHSCTFPDBFI-QWRGUYRKSA-N 2 2 227.308 0.679 20 5 BCBDLP C[NH+]1CCC[C@H]2C[N@@H+](CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842406 646352324 /nfs/dbraw/zinc/35/23/24/646352324.db2.gz CUCXHSCTFPDBFI-QWRGUYRKSA-N 2 2 227.308 0.679 20 5 BCBDLP O=[N+]([O-])CC[NH2+]CCC[NH+]1CCCCC1 ZINC000899859900 584242634 /nfs/dbraw/zinc/24/26/34/584242634.db2.gz FZKVEDFNVTZGKT-UHFFFAOYSA-N 2 2 215.297 0.729 20 5 BCBDLP C[C@H]([NH3+])C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000863569800 589300653 /nfs/dbraw/zinc/30/06/53/589300653.db2.gz PNTXAOWDAVSOSX-QMMMGPOBSA-N 2 2 227.268 0.070 20 5 BCBDLP C[C@H]([NH3+])C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000863569800 589300655 /nfs/dbraw/zinc/30/06/55/589300655.db2.gz PNTXAOWDAVSOSX-QMMMGPOBSA-N 2 2 227.268 0.070 20 5 BCBDLP O=[N+]([O-])CC[NH2+]CCCCn1cc[nH+]c1 ZINC000905110569 637618092 /nfs/dbraw/zinc/61/80/92/637618092.db2.gz MLJAGAJTMOVICX-UHFFFAOYSA-N 2 2 212.253 0.530 20 5 BCBDLP C[N@@H+]1CCC[C@H]2C[NH+](CC[N+](=O)[O-])CC[C@H]21 ZINC000929842408 646351295 /nfs/dbraw/zinc/35/12/95/646351295.db2.gz CUCXHSCTFPDBFI-WDEREUQCSA-N 2 2 227.308 0.679 20 5 BCBDLP C[N@H+]1CCC[C@H]2C[NH+](CC[N+](=O)[O-])CC[C@H]21 ZINC000929842408 646351296 /nfs/dbraw/zinc/35/12/96/646351296.db2.gz CUCXHSCTFPDBFI-WDEREUQCSA-N 2 2 227.308 0.679 20 5 BCBDLP C[NH+]1CCC[C@H]2C[N@H+](CC[N+](=O)[O-])CC[C@H]21 ZINC000929842408 646351297 /nfs/dbraw/zinc/35/12/97/646351297.db2.gz CUCXHSCTFPDBFI-WDEREUQCSA-N 2 2 227.308 0.679 20 5 BCBDLP C[NH+]1CCC[C@H]2C[N@@H+](CC[N+](=O)[O-])CC[C@H]21 ZINC000929842408 646351299 /nfs/dbraw/zinc/35/12/99/646351299.db2.gz CUCXHSCTFPDBFI-WDEREUQCSA-N 2 2 227.308 0.679 20 5 BCBDLP C[N@H+](CC[NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000420390631 192236822 /nfs/dbraw/zinc/23/68/22/192236822.db2.gz ZMNCMVOPVXCAIC-UHFFFAOYSA-N 2 2 239.275 0.864 20 5 BCBDLP C[N@@H+](CC[NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000420390631 192236823 /nfs/dbraw/zinc/23/68/23/192236823.db2.gz ZMNCMVOPVXCAIC-UHFFFAOYSA-N 2 2 239.275 0.864 20 5 BCBDLP [NH3+]CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000579593657 366882882 /nfs/dbraw/zinc/88/28/82/366882882.db2.gz ZSPSGLDHSBDWSE-UHFFFAOYSA-N 2 2 239.279 0.387 20 5 BCBDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000601329634 371748379 /nfs/dbraw/zinc/74/83/79/371748379.db2.gz LMDUOXDLFYHJDO-BDAKNGLRSA-N 2 2 239.279 0.213 20 5 BCBDLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000601329634 371748386 /nfs/dbraw/zinc/74/83/86/371748386.db2.gz LMDUOXDLFYHJDO-BDAKNGLRSA-N 2 2 239.279 0.213 20 5 BCBDLP O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415029891 387672395 /nfs/dbraw/zinc/67/23/95/387672395.db2.gz DJFSMQLWHUFXFL-IAZYJMLFSA-N 2 2 233.271 0.902 20 5 BCBDLP C[N@H+](CCCn1cc[nH+]c1)CC[N+](=O)[O-] ZINC000791055450 585973032 /nfs/dbraw/zinc/97/30/32/585973032.db2.gz ULRJFORQCVELQU-UHFFFAOYSA-N 2 2 212.253 0.482 20 5 BCBDLP C[N@@H+](CCCn1cc[nH+]c1)CC[N+](=O)[O-] ZINC000791055450 585973033 /nfs/dbraw/zinc/97/30/33/585973033.db2.gz ULRJFORQCVELQU-UHFFFAOYSA-N 2 2 212.253 0.482 20 5 BCBDLP O=[N+]([O-])c1ncccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000885960540 592116082 /nfs/dbraw/zinc/11/60/82/592116082.db2.gz MNDFGYPOWHUODI-QWRGUYRKSA-N 2 2 248.286 0.641 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000905049237 637567627 /nfs/dbraw/zinc/56/76/27/637567627.db2.gz JDGMTIZJFOZXOK-UWVGGRQHSA-N 2 2 213.281 0.480 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000905049237 637567630 /nfs/dbraw/zinc/56/76/30/637567630.db2.gz JDGMTIZJFOZXOK-UWVGGRQHSA-N 2 2 213.281 0.480 20 5 BCBDLP CC[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905029080 637576558 /nfs/dbraw/zinc/57/65/58/637576558.db2.gz YRGIANURVVQMAC-UHFFFAOYSA-N 2 2 201.270 0.337 20 5 BCBDLP C[C@@H](C[NH2+]CC[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000905055971 637587469 /nfs/dbraw/zinc/58/74/69/637587469.db2.gz UWGYORJRHCQIQM-NSHDSACASA-N 2 2 229.324 0.975 20 5 BCBDLP O=[N+]([O-])CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000905058948 637591150 /nfs/dbraw/zinc/59/11/50/637591150.db2.gz LARIYCDKLMWFLU-VIFPVBQESA-N 2 2 213.281 0.337 20 5 BCBDLP O=[N+]([O-])CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000905058948 637591155 /nfs/dbraw/zinc/59/11/55/637591155.db2.gz LARIYCDKLMWFLU-VIFPVBQESA-N 2 2 213.281 0.337 20 5 BCBDLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905156944 637638283 /nfs/dbraw/zinc/63/82/83/637638283.db2.gz WZSMTDKZGNPQJW-ZJUUUORDSA-N 2 2 215.297 0.726 20 5 BCBDLP [NH3+]C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827271 592351402 /nfs/dbraw/zinc/35/14/02/592351402.db2.gz IJQMVEMTTKEZQW-VIFPVBQESA-N 2 2 236.275 0.770 20 5 BCBDLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827271 592351409 /nfs/dbraw/zinc/35/14/09/592351409.db2.gz IJQMVEMTTKEZQW-VIFPVBQESA-N 2 2 236.275 0.770 20 5 BCBDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC[N+](=O)[O-])CC[C@H]21 ZINC000929842402 646351256 /nfs/dbraw/zinc/35/12/56/646351256.db2.gz CUCXHSCTFPDBFI-GHMZBOCLSA-N 2 2 227.308 0.679 20 5 BCBDLP C[N@H+]1CCC[C@@H]2C[NH+](CC[N+](=O)[O-])CC[C@H]21 ZINC000929842402 646351261 /nfs/dbraw/zinc/35/12/61/646351261.db2.gz CUCXHSCTFPDBFI-GHMZBOCLSA-N 2 2 227.308 0.679 20 5 BCBDLP C[NH+]1CCC[C@@H]2C[N@H+](CC[N+](=O)[O-])CC[C@H]21 ZINC000929842402 646351269 /nfs/dbraw/zinc/35/12/69/646351269.db2.gz CUCXHSCTFPDBFI-GHMZBOCLSA-N 2 2 227.308 0.679 20 5 BCBDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC[N+](=O)[O-])CC[C@H]21 ZINC000929842402 646351275 /nfs/dbraw/zinc/35/12/75/646351275.db2.gz CUCXHSCTFPDBFI-GHMZBOCLSA-N 2 2 227.308 0.679 20 5 BCBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC[N+](=O)[O-])[C@@H](C)C1 ZINC000929999034 646390758 /nfs/dbraw/zinc/39/07/58/646390758.db2.gz ICCUIPFZTKNVME-WDEREUQCSA-N 2 2 229.324 0.925 20 5 BCBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC[N+](=O)[O-])[C@@H](C)C1 ZINC000929999034 646390745 /nfs/dbraw/zinc/39/07/45/646390745.db2.gz ICCUIPFZTKNVME-WDEREUQCSA-N 2 2 229.324 0.925 20 5 BCBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC[N+](=O)[O-])[C@@H](C)C1 ZINC000929999034 646390749 /nfs/dbraw/zinc/39/07/49/646390749.db2.gz ICCUIPFZTKNVME-WDEREUQCSA-N 2 2 229.324 0.925 20 5 BCBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC[N+](=O)[O-])[C@@H](C)C1 ZINC000929999034 646390754 /nfs/dbraw/zinc/39/07/54/646390754.db2.gz ICCUIPFZTKNVME-WDEREUQCSA-N 2 2 229.324 0.925 20 5 BCBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cs1 ZINC000415043760 191660746 /nfs/dbraw/zinc/66/07/46/191660746.db2.gz UOPDVMYFWGCVDW-MBTKJCJQSA-N 2 2 239.300 0.964 20 5 BCBDLP Cn1cc(C[N@H+](C)CCC[NH3+])c([N+](=O)[O-])n1 ZINC000603428348 371894072 /nfs/dbraw/zinc/89/40/72/371894072.db2.gz IMVGNDNUTHSQMT-UHFFFAOYSA-N 2 2 227.268 0.109 20 5 BCBDLP Cn1cc(C[N@@H+](C)CCC[NH3+])c([N+](=O)[O-])n1 ZINC000603428348 371894077 /nfs/dbraw/zinc/89/40/77/371894077.db2.gz IMVGNDNUTHSQMT-UHFFFAOYSA-N 2 2 227.268 0.109 20 5 BCBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC[N+](=O)[O-])C1 ZINC000791052413 585972552 /nfs/dbraw/zinc/97/25/52/585972552.db2.gz NFVDJVHOHORPBG-NSHDSACASA-N 2 2 229.324 0.927 20 5 BCBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC[N+](=O)[O-])C1 ZINC000791052413 585972553 /nfs/dbraw/zinc/97/25/53/585972553.db2.gz NFVDJVHOHORPBG-NSHDSACASA-N 2 2 229.324 0.927 20 5 BCBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000791052413 585972554 /nfs/dbraw/zinc/97/25/54/585972554.db2.gz NFVDJVHOHORPBG-NSHDSACASA-N 2 2 229.324 0.927 20 5 BCBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791052413 585972555 /nfs/dbraw/zinc/97/25/55/585972555.db2.gz NFVDJVHOHORPBG-NSHDSACASA-N 2 2 229.324 0.927 20 5 BCBDLP O=[N+]([O-])CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000791052981 585972709 /nfs/dbraw/zinc/97/27/09/585972709.db2.gz QPSSCGRFVIUWLV-NSHDSACASA-N 2 2 227.308 0.681 20 5 BCBDLP O=[N+]([O-])CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000791052981 585972710 /nfs/dbraw/zinc/97/27/10/585972710.db2.gz QPSSCGRFVIUWLV-NSHDSACASA-N 2 2 227.308 0.681 20 5 BCBDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC[N+](=O)[O-])C1 ZINC000791053101 585973109 /nfs/dbraw/zinc/97/31/09/585973109.db2.gz SJCUZGDNMCADDA-JTQLQIEISA-N 2 2 215.297 0.537 20 5 BCBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[N+](=O)[O-])C1 ZINC000791053101 585973110 /nfs/dbraw/zinc/97/31/10/585973110.db2.gz SJCUZGDNMCADDA-JTQLQIEISA-N 2 2 215.297 0.537 20 5 BCBDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000791053101 585973111 /nfs/dbraw/zinc/97/31/11/585973111.db2.gz SJCUZGDNMCADDA-JTQLQIEISA-N 2 2 215.297 0.537 20 5 BCBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791053101 585973112 /nfs/dbraw/zinc/97/31/12/585973112.db2.gz SJCUZGDNMCADDA-JTQLQIEISA-N 2 2 215.297 0.537 20 5 BCBDLP [NH3+]C1(C[NH2+]Cc2cccnc2[N+](=O)[O-])CCC1 ZINC000886832806 592355590 /nfs/dbraw/zinc/35/55/90/592355590.db2.gz NEGPAFLNFRDUSO-UHFFFAOYSA-N 2 2 236.275 0.961 20 5 BCBDLP C[C@@H](C[NH2+]CC[N+](=O)[O-])C[NH+]1CCCC1 ZINC000905055792 637589885 /nfs/dbraw/zinc/58/98/85/637589885.db2.gz SLAGVBCPGNHHNQ-JTQLQIEISA-N 2 2 215.297 0.585 20 5 BCBDLP C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CC[N@@H+]1C ZINC000905141000 637649523 /nfs/dbraw/zinc/64/95/23/637649523.db2.gz XEAVINMZPHWFQC-DTWKUNHWSA-N 2 2 201.270 0.335 20 5 BCBDLP C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CC[N@H+]1C ZINC000905141000 637649533 /nfs/dbraw/zinc/64/95/33/637649533.db2.gz XEAVINMZPHWFQC-DTWKUNHWSA-N 2 2 201.270 0.335 20 5 BCBDLP CC(C)(C[NH2+]CC[N+](=O)[O-])C[NH+]1CCCC1 ZINC000905230528 637691019 /nfs/dbraw/zinc/69/10/19/637691019.db2.gz NGNSPCCSFGYCBE-UHFFFAOYSA-N 2 2 229.324 0.975 20 5 BCBDLP C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)[NH3+] ZINC000595898241 348393788 /nfs/dbraw/zinc/39/37/88/348393788.db2.gz ISBBBAGQTOYWJJ-UHFFFAOYSA-N 2 2 241.295 0.460 20 5 BCBDLP C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)[NH3+] ZINC000595898241 348393791 /nfs/dbraw/zinc/39/37/91/348393791.db2.gz ISBBBAGQTOYWJJ-UHFFFAOYSA-N 2 2 241.295 0.460 20 5 BCBDLP CC(C)[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905028515 637577025 /nfs/dbraw/zinc/57/70/25/637577025.db2.gz ULJFSEQTUWQGIO-UHFFFAOYSA-N 2 2 215.297 0.726 20 5 BCBDLP CC(C)C[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000905066125 637599923 /nfs/dbraw/zinc/59/99/23/637599923.db2.gz NTXHFJGOKYFVEN-UHFFFAOYSA-N 2 2 229.324 0.973 20 5 BCBDLP C[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000905132474 637644759 /nfs/dbraw/zinc/64/47/59/637644759.db2.gz MGRLSCXPCNZGEI-SECBINFHSA-N 2 2 217.313 0.829 20 5 BCBDLP C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)[NH3+] ZINC000595898181 348393747 /nfs/dbraw/zinc/39/37/47/348393747.db2.gz FXROYGXZCJWPLK-UHFFFAOYSA-N 2 2 241.295 0.460 20 5 BCBDLP C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)[NH3+] ZINC000595898181 348393753 /nfs/dbraw/zinc/39/37/53/348393753.db2.gz FXROYGXZCJWPLK-UHFFFAOYSA-N 2 2 241.295 0.460 20 5 BCBDLP CC[N@H+](CC[NH3+])CCn1ccc([N+](=O)[O-])n1 ZINC000600722186 371698980 /nfs/dbraw/zinc/69/89/80/371698980.db2.gz ZCUVMQBHQXOUBR-UHFFFAOYSA-N 2 2 227.268 0.072 20 5 BCBDLP CC[N@@H+](CC[NH3+])CCn1ccc([N+](=O)[O-])n1 ZINC000600722186 371698989 /nfs/dbraw/zinc/69/89/89/371698989.db2.gz ZCUVMQBHQXOUBR-UHFFFAOYSA-N 2 2 227.268 0.072 20 5 BCBDLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000601329635 371748191 /nfs/dbraw/zinc/74/81/91/371748191.db2.gz LMDUOXDLFYHJDO-DTWKUNHWSA-N 2 2 239.279 0.213 20 5 BCBDLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000601329635 371748197 /nfs/dbraw/zinc/74/81/97/371748197.db2.gz LMDUOXDLFYHJDO-DTWKUNHWSA-N 2 2 239.279 0.213 20 5 BCBDLP C[C@@H](C[NH3+])[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000430930556 388730464 /nfs/dbraw/zinc/73/04/64/388730464.db2.gz TXPNYANSXKXBSI-QMMMGPOBSA-N 2 2 227.268 0.070 20 5 BCBDLP C[C@@H](C[NH3+])[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000430930556 388730467 /nfs/dbraw/zinc/73/04/67/388730467.db2.gz TXPNYANSXKXBSI-QMMMGPOBSA-N 2 2 227.268 0.070 20 5 BCBDLP O=[N+]([O-])CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000791054242 585973441 /nfs/dbraw/zinc/97/34/41/585973441.db2.gz YXGUDCMFEINWQQ-UHFFFAOYSA-N 2 2 224.264 0.866 20 5 BCBDLP C[C@H]([NH2+]CC[NH3+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000817936051 586844660 /nfs/dbraw/zinc/84/46/60/586844660.db2.gz MOSHVXQSISQSGC-ZETCQYMHSA-N 2 2 224.264 0.786 20 5 BCBDLP O=[N+]([O-])c1ncccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000885960536 592116354 /nfs/dbraw/zinc/11/63/54/592116354.db2.gz MNDFGYPOWHUODI-GHMZBOCLSA-N 2 2 248.286 0.641 20 5 BCBDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905156943 637638469 /nfs/dbraw/zinc/63/84/69/637638469.db2.gz WZSMTDKZGNPQJW-VHSXEESVSA-N 2 2 215.297 0.726 20 5 BCBDLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905156941 637639980 /nfs/dbraw/zinc/63/99/80/637639980.db2.gz WZSMTDKZGNPQJW-UWVGGRQHSA-N 2 2 215.297 0.726 20 5 BCBDLP CC[N@@H+]1CC[C@H]([NH+](C)CC[N+](=O)[O-])[C@H](C)C1 ZINC000929999031 646390281 /nfs/dbraw/zinc/39/02/81/646390281.db2.gz ICCUIPFZTKNVME-MNOVXSKESA-N 2 2 229.324 0.925 20 5 BCBDLP CC[N@H+]1CC[C@H]([NH+](C)CC[N+](=O)[O-])[C@H](C)C1 ZINC000929999031 646390285 /nfs/dbraw/zinc/39/02/85/646390285.db2.gz ICCUIPFZTKNVME-MNOVXSKESA-N 2 2 229.324 0.925 20 5 BCBDLP CC[NH+]1CC[C@H]([N@H+](C)CC[N+](=O)[O-])[C@H](C)C1 ZINC000929999031 646390291 /nfs/dbraw/zinc/39/02/91/646390291.db2.gz ICCUIPFZTKNVME-MNOVXSKESA-N 2 2 229.324 0.925 20 5 BCBDLP CC[NH+]1CC[C@H]([N@@H+](C)CC[N+](=O)[O-])[C@H](C)C1 ZINC000929999031 646390296 /nfs/dbraw/zinc/39/02/96/646390296.db2.gz ICCUIPFZTKNVME-MNOVXSKESA-N 2 2 229.324 0.925 20 5 BCBDLP CC1CC[NH+](CCC[NH2+]CC[N+](=O)[O-])CC1 ZINC000899866797 584244031 /nfs/dbraw/zinc/24/40/31/584244031.db2.gz NGZHPFBQIOZZIH-UHFFFAOYSA-N 2 2 229.324 0.975 20 5 BCBDLP C[C@@H]1C[NH+](CCC[NH2+]CC[N+](=O)[O-])C[C@@H](C)O1 ZINC000899865057 584245424 /nfs/dbraw/zinc/24/54/24/584245424.db2.gz PIFKGFYRTSBFTB-GHMZBOCLSA-N 2 2 245.323 0.352 20 5 BCBDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431909 371895698 /nfs/dbraw/zinc/89/56/98/371895698.db2.gz ZTQALIWZGSNTRN-MRVPVSSYSA-N 2 2 239.279 0.109 20 5 BCBDLP Cn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000603431909 371895704 /nfs/dbraw/zinc/89/57/04/371895704.db2.gz ZTQALIWZGSNTRN-MRVPVSSYSA-N 2 2 239.279 0.109 20 5 BCBDLP CCC[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000899860944 584242393 /nfs/dbraw/zinc/24/23/93/584242393.db2.gz NXPMPYJVFKCKFI-UHFFFAOYSA-N 2 2 215.297 0.727 20 5 BCBDLP O=[N+]([O-])CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000791054172 585973464 /nfs/dbraw/zinc/97/34/64/585973464.db2.gz YHAYFTBUEGGHEX-UHFFFAOYSA-N 2 2 224.264 0.797 20 5 BCBDLP C[C@@H]([NH3+])C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000863569799 589300760 /nfs/dbraw/zinc/30/07/60/589300760.db2.gz PNTXAOWDAVSOSX-MRVPVSSYSA-N 2 2 227.268 0.070 20 5 BCBDLP C[C@@H]([NH3+])C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000863569799 589300761 /nfs/dbraw/zinc/30/07/61/589300761.db2.gz PNTXAOWDAVSOSX-MRVPVSSYSA-N 2 2 227.268 0.070 20 5 BCBDLP [NH3+]C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827270 592349974 /nfs/dbraw/zinc/34/99/74/592349974.db2.gz IJQMVEMTTKEZQW-SECBINFHSA-N 2 2 236.275 0.770 20 5 BCBDLP [NH3+]C[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886827270 592349978 /nfs/dbraw/zinc/34/99/78/592349978.db2.gz IJQMVEMTTKEZQW-SECBINFHSA-N 2 2 236.275 0.770 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000905049238 637566057 /nfs/dbraw/zinc/56/60/57/637566057.db2.gz JDGMTIZJFOZXOK-VHSXEESVSA-N 2 2 213.281 0.480 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000905049238 637566061 /nfs/dbraw/zinc/56/60/61/637566061.db2.gz JDGMTIZJFOZXOK-VHSXEESVSA-N 2 2 213.281 0.480 20 5 BCBDLP C[C@H](C[NH2+]CC[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000905055970 637588849 /nfs/dbraw/zinc/58/88/49/637588849.db2.gz UWGYORJRHCQIQM-LLVKDONJSA-N 2 2 229.324 0.975 20 5 BCBDLP O=[N+]([O-])CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000791052979 585972741 /nfs/dbraw/zinc/97/27/41/585972741.db2.gz QPSSCGRFVIUWLV-LLVKDONJSA-N 2 2 227.308 0.681 20 5 BCBDLP O=[N+]([O-])CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000791052979 585972742 /nfs/dbraw/zinc/97/27/42/585972742.db2.gz QPSSCGRFVIUWLV-LLVKDONJSA-N 2 2 227.308 0.681 20 5 BCBDLP C[C@@H]([NH3+])C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000863568233 589300294 /nfs/dbraw/zinc/30/02/94/589300294.db2.gz IQUTUXBIRCPWTA-MRVPVSSYSA-N 2 2 227.268 0.070 20 5 BCBDLP C[C@@H]([NH3+])C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000863568233 589300295 /nfs/dbraw/zinc/30/02/95/589300295.db2.gz IQUTUXBIRCPWTA-MRVPVSSYSA-N 2 2 227.268 0.070 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000905218763 637699424 /nfs/dbraw/zinc/69/94/24/637699424.db2.gz OXLQFNWZIRJHBE-QMMMGPOBSA-N 2 2 210.237 0.064 20 5 BCBDLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000601329637 371748543 /nfs/dbraw/zinc/74/85/43/371748543.db2.gz LMDUOXDLFYHJDO-RKDXNWHRSA-N 2 2 239.279 0.213 20 5 BCBDLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000601329637 371748545 /nfs/dbraw/zinc/74/85/45/371748545.db2.gz LMDUOXDLFYHJDO-RKDXNWHRSA-N 2 2 239.279 0.213 20 5 BCBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1([NH3+])CCC1 ZINC000342117225 385928891 /nfs/dbraw/zinc/92/88/91/385928891.db2.gz CUUPKXNOGARQCE-UHFFFAOYSA-N 2 2 239.279 0.299 20 5 BCBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415031685 387672490 /nfs/dbraw/zinc/67/24/90/387672490.db2.gz GTXZZPYCQFHNEZ-GDNZZTSVSA-N 2 2 233.271 0.902 20 5 BCBDLP [NH3+]C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430571979 388728763 /nfs/dbraw/zinc/72/87/63/388728763.db2.gz OUJGIMNTFRDCJT-VIFPVBQESA-N 2 2 239.279 0.214 20 5 BCBDLP [NH3+]C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000430571979 388728766 /nfs/dbraw/zinc/72/87/66/388728766.db2.gz OUJGIMNTFRDCJT-VIFPVBQESA-N 2 2 239.279 0.214 20 5 BCBDLP C[C@@H](C[NH3+])[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000430931931 388729450 /nfs/dbraw/zinc/72/94/50/388729450.db2.gz XVCCIYVXMARDKD-QMMMGPOBSA-N 2 2 227.268 0.070 20 5 BCBDLP C[C@@H](C[NH3+])[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000430931931 388729452 /nfs/dbraw/zinc/72/94/52/388729452.db2.gz XVCCIYVXMARDKD-QMMMGPOBSA-N 2 2 227.268 0.070 20 5 BCBDLP C[C@H](C[NH3+])[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000430931930 388730055 /nfs/dbraw/zinc/73/00/55/388730055.db2.gz XVCCIYVXMARDKD-MRVPVSSYSA-N 2 2 227.268 0.070 20 5 BCBDLP C[C@H](C[NH3+])[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000430931930 388730057 /nfs/dbraw/zinc/73/00/57/388730057.db2.gz XVCCIYVXMARDKD-MRVPVSSYSA-N 2 2 227.268 0.070 20 5 BCBDLP C[NH+]1CCC2(CC[N@@H+]2CC[N+](=O)[O-])CC1 ZINC000899910431 584253025 /nfs/dbraw/zinc/25/30/25/584253025.db2.gz KQFPJGBMXPGYQW-UHFFFAOYSA-N 2 2 213.281 0.433 20 5 BCBDLP C[NH+]1CCC2(CC[N@H+]2CC[N+](=O)[O-])CC1 ZINC000899910431 584253026 /nfs/dbraw/zinc/25/30/26/584253026.db2.gz KQFPJGBMXPGYQW-UHFFFAOYSA-N 2 2 213.281 0.433 20 5 BCBDLP CC[N@H+](CC[NH3+])CCn1cc([N+](=O)[O-])cn1 ZINC000600720070 371698616 /nfs/dbraw/zinc/69/86/16/371698616.db2.gz NHOLJNJHOXZKBJ-UHFFFAOYSA-N 2 2 227.268 0.072 20 5 BCBDLP CC[N@@H+](CC[NH3+])CCn1cc([N+](=O)[O-])cn1 ZINC000600720070 371698618 /nfs/dbraw/zinc/69/86/18/371698618.db2.gz NHOLJNJHOXZKBJ-UHFFFAOYSA-N 2 2 227.268 0.072 20 5 BCBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[NH2+]CC2)n1 ZINC000430652031 388729881 /nfs/dbraw/zinc/72/98/81/388729881.db2.gz WSINDRGZALEBAQ-UHFFFAOYSA-N 2 2 239.279 0.087 20 5 BCBDLP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[NH2+]CC2)n1 ZINC000430652031 388729885 /nfs/dbraw/zinc/72/98/85/388729885.db2.gz WSINDRGZALEBAQ-UHFFFAOYSA-N 2 2 239.279 0.087 20 5 BCBDLP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1[NH3+] ZINC000563216326 323103052 /nfs/dbraw/zinc/10/30/52/323103052.db2.gz XWZXHYXMJDEYPC-PSASIEDQSA-N 2 2 239.279 0.070 20 5 BCBDLP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1[NH3+] ZINC000563216326 323103053 /nfs/dbraw/zinc/10/30/53/323103053.db2.gz XWZXHYXMJDEYPC-PSASIEDQSA-N 2 2 239.279 0.070 20 5 BCBDLP C[C@H]1C[NH+](CCC[NH2+]CC[N+](=O)[O-])C[C@H](C)O1 ZINC000899865059 584245174 /nfs/dbraw/zinc/24/51/74/584245174.db2.gz PIFKGFYRTSBFTB-QWRGUYRKSA-N 2 2 245.323 0.352 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000905049240 637567649 /nfs/dbraw/zinc/56/76/49/637567649.db2.gz JDGMTIZJFOZXOK-ZJUUUORDSA-N 2 2 213.281 0.480 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000905049240 637567654 /nfs/dbraw/zinc/56/76/54/637567654.db2.gz JDGMTIZJFOZXOK-ZJUUUORDSA-N 2 2 213.281 0.480 20 5 BCBDLP C[C@H](C[NH2+]CC[N+](=O)[O-])C[NH+]1CCCC1 ZINC000905055793 637587663 /nfs/dbraw/zinc/58/76/63/637587663.db2.gz SLAGVBCPGNHHNQ-SNVBAGLBSA-N 2 2 215.297 0.585 20 5 BCBDLP C[C@H]1C[N@H+](CCC[NH2+]CC[N+](=O)[O-])CCCO1 ZINC000905232340 637691963 /nfs/dbraw/zinc/69/19/63/637691963.db2.gz NQKDNPQMWXOQJZ-NSHDSACASA-N 2 2 245.323 0.354 20 5 BCBDLP C[C@H]1C[N@@H+](CCC[NH2+]CC[N+](=O)[O-])CCCO1 ZINC000905232340 637691966 /nfs/dbraw/zinc/69/19/66/637691966.db2.gz NQKDNPQMWXOQJZ-NSHDSACASA-N 2 2 245.323 0.354 20 5 BCBDLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000601329636 371748462 /nfs/dbraw/zinc/74/84/62/371748462.db2.gz LMDUOXDLFYHJDO-IUCAKERBSA-N 2 2 239.279 0.213 20 5 BCBDLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000601329636 371748466 /nfs/dbraw/zinc/74/84/66/371748466.db2.gz LMDUOXDLFYHJDO-IUCAKERBSA-N 2 2 239.279 0.213 20 5 BCBDLP [NH3+]C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430568405 388728224 /nfs/dbraw/zinc/72/82/24/388728224.db2.gz KKPBCEVHMGVPNG-VIFPVBQESA-N 2 2 239.279 0.214 20 5 BCBDLP [NH3+]C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000430568405 388728227 /nfs/dbraw/zinc/72/82/27/388728227.db2.gz KKPBCEVHMGVPNG-VIFPVBQESA-N 2 2 239.279 0.214 20 5 BCBDLP C[C@H](C[NH3+])[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000430930530 388730182 /nfs/dbraw/zinc/73/01/82/388730182.db2.gz TXPNYANSXKXBSI-MRVPVSSYSA-N 2 2 227.268 0.070 20 5 BCBDLP C[C@H](C[NH3+])[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000430930530 388730186 /nfs/dbraw/zinc/73/01/86/388730186.db2.gz TXPNYANSXKXBSI-MRVPVSSYSA-N 2 2 227.268 0.070 20 5 BCBDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC[N+](=O)[O-])C1 ZINC000791052412 585972475 /nfs/dbraw/zinc/97/24/75/585972475.db2.gz NFVDJVHOHORPBG-LLVKDONJSA-N 2 2 229.324 0.927 20 5 BCBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC[N+](=O)[O-])C1 ZINC000791052412 585972476 /nfs/dbraw/zinc/97/24/76/585972476.db2.gz NFVDJVHOHORPBG-LLVKDONJSA-N 2 2 229.324 0.927 20 5 BCBDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000791052412 585972477 /nfs/dbraw/zinc/97/24/77/585972477.db2.gz NFVDJVHOHORPBG-LLVKDONJSA-N 2 2 229.324 0.927 20 5 BCBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791052412 585972478 /nfs/dbraw/zinc/97/24/78/585972478.db2.gz NFVDJVHOHORPBG-LLVKDONJSA-N 2 2 229.324 0.927 20 5 BCBDLP O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885960538 592115613 /nfs/dbraw/zinc/11/56/13/592115613.db2.gz MNDFGYPOWHUODI-PHIMTYICSA-N 2 2 248.286 0.641 20 5 BCBDLP O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885960538 592115614 /nfs/dbraw/zinc/11/56/14/592115614.db2.gz MNDFGYPOWHUODI-PHIMTYICSA-N 2 2 248.286 0.641 20 5 BCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000905053678 637568752 /nfs/dbraw/zinc/56/87/52/637568752.db2.gz CQOAQBZPWVLLOS-UHFFFAOYSA-N 2 2 227.308 0.727 20 5 BCBDLP O=[N+]([O-])CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000905058947 637594536 /nfs/dbraw/zinc/59/45/36/637594536.db2.gz LARIYCDKLMWFLU-SECBINFHSA-N 2 2 213.281 0.337 20 5 BCBDLP O=[N+]([O-])CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000905058947 637594542 /nfs/dbraw/zinc/59/45/42/637594542.db2.gz LARIYCDKLMWFLU-SECBINFHSA-N 2 2 213.281 0.337 20 5 BCBDLP O=[N+]([O-])CC[NH2+]CCCNc1cccc[nH+]1 ZINC000905127316 637641925 /nfs/dbraw/zinc/64/19/25/637641925.db2.gz KOCBTHQBTYDRDC-UHFFFAOYSA-N 2 2 224.264 0.750 20 5 BCBDLP C[C@@H]1C[N@H+](CCC[NH2+]CC[N+](=O)[O-])CCCO1 ZINC000905232339 637691907 /nfs/dbraw/zinc/69/19/07/637691907.db2.gz NQKDNPQMWXOQJZ-LLVKDONJSA-N 2 2 245.323 0.354 20 5 BCBDLP C[C@@H]1C[N@@H+](CCC[NH2+]CC[N+](=O)[O-])CCCO1 ZINC000905232339 637691912 /nfs/dbraw/zinc/69/19/12/637691912.db2.gz NQKDNPQMWXOQJZ-LLVKDONJSA-N 2 2 245.323 0.354 20 5 BCBDLP C[NH+](C)CC1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000905215154 637699957 /nfs/dbraw/zinc/69/99/57/637699957.db2.gz YHPPSGGXKPQOFE-UHFFFAOYSA-N 2 2 229.324 0.975 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000905264548 637717140 /nfs/dbraw/zinc/71/71/40/637717140.db2.gz TUVHZBIPAGPAND-SSDOTTSWSA-N 2 2 210.237 0.133 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000905049236 637566126 /nfs/dbraw/zinc/56/61/26/637566126.db2.gz JDGMTIZJFOZXOK-NXEZZACHSA-N 2 2 213.281 0.480 20 5 BCBDLP O=[N+]([O-])CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000905049236 637566135 /nfs/dbraw/zinc/56/61/35/637566135.db2.gz JDGMTIZJFOZXOK-NXEZZACHSA-N 2 2 213.281 0.480 20 5 BCBDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905156940 637638889 /nfs/dbraw/zinc/63/88/89/637638889.db2.gz WZSMTDKZGNPQJW-NXEZZACHSA-N 2 2 215.297 0.726 20 5 BCBDLP C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CC[N@H+]1C ZINC000905141001 637648809 /nfs/dbraw/zinc/64/88/09/637648809.db2.gz XEAVINMZPHWFQC-IUCAKERBSA-N 2 2 201.270 0.335 20 5 BCBDLP C[C@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CC[N@@H+]1C ZINC000905141001 637648802 /nfs/dbraw/zinc/64/88/02/637648802.db2.gz XEAVINMZPHWFQC-IUCAKERBSA-N 2 2 201.270 0.335 20 5 BCBDLP O=[N+]([O-])CC[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000905278794 637735196 /nfs/dbraw/zinc/73/51/96/637735196.db2.gz GUCODPPPFZGVRI-UHFFFAOYSA-N 2 2 227.308 0.870 20 5 BCBDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC[N+](=O)[O-])[C@H](C)C1 ZINC000929999029 646391326 /nfs/dbraw/zinc/39/13/26/646391326.db2.gz ICCUIPFZTKNVME-GHMZBOCLSA-N 2 2 229.324 0.925 20 5 BCBDLP CC[N@H+]1CC[C@@H]([NH+](C)CC[N+](=O)[O-])[C@H](C)C1 ZINC000929999029 646391331 /nfs/dbraw/zinc/39/13/31/646391331.db2.gz ICCUIPFZTKNVME-GHMZBOCLSA-N 2 2 229.324 0.925 20 5 BCBDLP CC[NH+]1CC[C@@H]([N@H+](C)CC[N+](=O)[O-])[C@H](C)C1 ZINC000929999029 646391338 /nfs/dbraw/zinc/39/13/38/646391338.db2.gz ICCUIPFZTKNVME-GHMZBOCLSA-N 2 2 229.324 0.925 20 5 BCBDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC[N+](=O)[O-])[C@H](C)C1 ZINC000929999029 646391342 /nfs/dbraw/zinc/39/13/42/646391342.db2.gz ICCUIPFZTKNVME-GHMZBOCLSA-N 2 2 229.324 0.925 20 5 BCBDLP