smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602799872 349741009 /nfs/dbraw/zinc/74/10/09/349741009.db2.gz QSFSCYCMDXLKGM-APPZFPTMSA-N 1 1 240.263 0.283 20 5 BCBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602799872 349741011 /nfs/dbraw/zinc/74/10/11/349741011.db2.gz QSFSCYCMDXLKGM-APPZFPTMSA-N 1 1 240.263 0.283 20 5 BCBDMO C[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000145249826 343696806 /nfs/dbraw/zinc/69/68/06/343696806.db2.gz UISWNZRUGQZRQS-UHFFFAOYSA-N 1 1 222.248 0.742 20 5 BCBDMO C[N@@H+](CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000076991602 344050447 /nfs/dbraw/zinc/05/04/47/344050447.db2.gz SXFHLJKTZNLHMT-UHFFFAOYSA-N 1 1 240.259 0.898 20 5 BCBDMO C[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000408220744 344255158 /nfs/dbraw/zinc/25/51/58/344255158.db2.gz ZCMUVQIEFWNNKN-QMMMGPOBSA-N 1 1 237.263 0.525 20 5 BCBDMO C[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000408220744 344255162 /nfs/dbraw/zinc/25/51/62/344255162.db2.gz ZCMUVQIEFWNNKN-QMMMGPOBSA-N 1 1 237.263 0.525 20 5 BCBDMO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601326643 345764149 /nfs/dbraw/zinc/76/41/49/345764149.db2.gz FSLFPFCUFHIOMI-UWVGGRQHSA-N 1 1 249.270 0.847 20 5 BCBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000310407912 347279565 /nfs/dbraw/zinc/27/95/65/347279565.db2.gz OMWWAHNTQBZXSU-SECBINFHSA-N 1 1 242.279 0.412 20 5 BCBDMO Cc1[nH+]ccn1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179221438 180261639 /nfs/dbraw/zinc/26/16/39/180261639.db2.gz HJLYMBNAZHSBGS-UHFFFAOYSA-N 1 1 248.242 0.962 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](C)CC1 ZINC000008308371 352641032 /nfs/dbraw/zinc/64/10/32/352641032.db2.gz RLGHLJPUVQYGPY-UHFFFAOYSA-N 1 1 225.252 0.080 20 5 BCBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000451285520 202392868 /nfs/dbraw/zinc/39/28/68/202392868.db2.gz NHSAWAQJHKAAHU-UHFFFAOYSA-N 1 1 240.263 0.512 20 5 BCBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1COC1 ZINC000451285520 202392873 /nfs/dbraw/zinc/39/28/73/202392873.db2.gz NHSAWAQJHKAAHU-UHFFFAOYSA-N 1 1 240.263 0.512 20 5 BCBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000162562902 181358134 /nfs/dbraw/zinc/35/81/34/181358134.db2.gz GSRILHWEIHLHIF-UHFFFAOYSA-N 1 1 249.173 0.512 20 5 BCBDMO Cn1cc(C[N@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000602439684 371802673 /nfs/dbraw/zinc/80/26/73/371802673.db2.gz LAAIFSJSGNBARW-UHFFFAOYSA-N 1 1 210.237 0.923 20 5 BCBDMO Cn1cc(C[N@@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000602439684 371802678 /nfs/dbraw/zinc/80/26/78/371802678.db2.gz LAAIFSJSGNBARW-UHFFFAOYSA-N 1 1 210.237 0.923 20 5 BCBDMO Cn1cc(C[NH+]2CCC(O)CC2)c([N+](=O)[O-])n1 ZINC000602436745 371804121 /nfs/dbraw/zinc/80/41/21/371804121.db2.gz ZBSCQUOMCIZZJY-UHFFFAOYSA-N 1 1 240.263 0.285 20 5 BCBDMO C[C@@H](CO)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602655938 371828055 /nfs/dbraw/zinc/82/80/55/371828055.db2.gz IORDDXWXBYKCAO-ZETCQYMHSA-N 1 1 228.252 0.141 20 5 BCBDMO C[C@@H](CO)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602655938 371828057 /nfs/dbraw/zinc/82/80/57/371828057.db2.gz IORDDXWXBYKCAO-ZETCQYMHSA-N 1 1 228.252 0.141 20 5 BCBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC1[N+](=O)[O-] ZINC000378185791 182119272 /nfs/dbraw/zinc/11/92/72/182119272.db2.gz YNIICASACCTCBC-SEMOWUPXSA-N 1 1 239.275 0.051 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)C2CC2)n1 ZINC000176209749 384467863 /nfs/dbraw/zinc/46/78/63/384467863.db2.gz OMBNFDGKNPABBS-UHFFFAOYSA-N 1 1 240.263 0.248 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](C)(O)C1 ZINC000408348048 384969239 /nfs/dbraw/zinc/96/92/39/384969239.db2.gz YQZKKPIWABJNIA-JTQLQIEISA-N 1 1 240.263 0.285 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](C)(O)C1 ZINC000408348048 384969244 /nfs/dbraw/zinc/96/92/44/384969244.db2.gz YQZKKPIWABJNIA-JTQLQIEISA-N 1 1 240.263 0.285 20 5 BCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H](C)O ZINC000051837528 385946919 /nfs/dbraw/zinc/94/69/19/385946919.db2.gz PFNLHGGMZCPNRP-QMMMGPOBSA-N 1 1 242.279 0.412 20 5 BCBDMO CC[N@@H+](CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000267046405 386748991 /nfs/dbraw/zinc/74/89/91/386748991.db2.gz FBZAMSBAFUUNPP-UHFFFAOYSA-N 1 1 228.252 0.106 20 5 BCBDMO [NH3+]C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000430940078 388729808 /nfs/dbraw/zinc/72/98/08/388729808.db2.gz NJWGUIOWPUQZPV-SECBINFHSA-N 1 1 239.279 0.072 20 5 BCBDMO C[N@@H+](CCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000281789151 388807989 /nfs/dbraw/zinc/80/79/89/388807989.db2.gz JRYMIUPQQJBXQO-UHFFFAOYSA-N 1 1 228.252 0.106 20 5 BCBDMO CC[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273163582 132201612 /nfs/dbraw/zinc/20/16/12/132201612.db2.gz KXSJEOMDTYJYHE-UHFFFAOYSA-N 1 1 237.263 0.527 20 5 BCBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347946481 136019496 /nfs/dbraw/zinc/01/94/96/136019496.db2.gz OLUOCRMAKPAMJW-UHFFFAOYSA-N 1 1 240.263 0.604 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1NCC[N@@H+](C)C1CC1 ZINC000058938165 411491416 /nfs/dbraw/zinc/49/14/16/411491416.db2.gz WPVFMWJMZYCYTJ-UHFFFAOYSA-N 1 1 239.279 0.834 20 5 BCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000364787168 172329958 /nfs/dbraw/zinc/32/99/58/172329958.db2.gz BDTRGRYVRJQGGC-OPRDCNLKSA-N 1 1 241.291 0.252 20 5 BCBDMO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854653095 588799409 /nfs/dbraw/zinc/79/94/09/588799409.db2.gz WMURLKNWHJGBTN-ZYUZMQFOSA-N 1 1 241.291 0.203 20 5 BCBDMO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000855363963 588829313 /nfs/dbraw/zinc/82/93/13/588829313.db2.gz WXDSKCYZXAGAEL-IVZWLZJFSA-N 1 1 241.291 0.204 20 5 BCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000855363963 588829314 /nfs/dbraw/zinc/82/93/14/588829314.db2.gz WXDSKCYZXAGAEL-IVZWLZJFSA-N 1 1 241.291 0.204 20 5 BCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000855363963 588829315 /nfs/dbraw/zinc/82/93/15/588829315.db2.gz WXDSKCYZXAGAEL-IVZWLZJFSA-N 1 1 241.291 0.204 20 5 BCBDMO CC[NH+](CC)CCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673298 583422865 /nfs/dbraw/zinc/42/28/65/583422865.db2.gz JOEJEGCWEDKGRP-RKDXNWHRSA-N 1 1 230.264 0.537 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1Cc2c[nH+]cn2C1 ZINC000894995844 583566066 /nfs/dbraw/zinc/56/60/66/583566066.db2.gz QOOSERZYYBTNMQ-ZETCQYMHSA-N 1 1 248.246 0.562 20 5 BCBDMO CC[N@H+]1CC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000895161643 583610297 /nfs/dbraw/zinc/61/02/97/583610297.db2.gz SOXKXRLFXWGGOT-MRVPVSSYSA-N 1 1 239.279 0.834 20 5 BCBDMO COCCC1(C)C[NH+](CC[N+](=O)[O-])C1 ZINC000899884928 584246642 /nfs/dbraw/zinc/24/66/42/584246642.db2.gz BZYMDAXYSABRPW-UHFFFAOYSA-N 1 1 202.254 0.622 20 5 BCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC000839624785 585332767 /nfs/dbraw/zinc/33/27/67/585332767.db2.gz HBIDNZWGLWJDKB-NXEZZACHSA-N 1 1 243.307 0.498 20 5 BCBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839624785 585332768 /nfs/dbraw/zinc/33/27/68/585332768.db2.gz HBIDNZWGLWJDKB-NXEZZACHSA-N 1 1 243.307 0.498 20 5 BCBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC000839624785 585332769 /nfs/dbraw/zinc/33/27/69/585332769.db2.gz HBIDNZWGLWJDKB-NXEZZACHSA-N 1 1 243.307 0.498 20 5 BCBDMO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692790 585335756 /nfs/dbraw/zinc/33/57/56/585335756.db2.gz XDARFAQTKUOQBY-DJLDLDEBSA-N 1 1 229.280 0.108 20 5 BCBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839719514 585338268 /nfs/dbraw/zinc/33/82/68/585338268.db2.gz ZLAMEPMKNZQWIZ-SGIHWFKDSA-N 1 1 241.291 0.203 20 5 BCBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839716603 585338284 /nfs/dbraw/zinc/33/82/84/585338284.db2.gz DSYBCTMFIBORIN-SGIHWFKDSA-N 1 1 241.291 0.203 20 5 BCBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839719513 585338467 /nfs/dbraw/zinc/33/84/67/585338467.db2.gz ZLAMEPMKNZQWIZ-AXTSPUMRSA-N 1 1 241.291 0.203 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000761101490 585409613 /nfs/dbraw/zinc/40/96/13/585409613.db2.gz YRGNZZCBDJCIAD-BDAKNGLRSA-N 1 1 222.248 0.886 20 5 BCBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CO ZINC000770265969 585572465 /nfs/dbraw/zinc/57/24/65/585572465.db2.gz WLMMBOBQVMABPS-JTQLQIEISA-N 1 1 240.259 0.380 20 5 BCBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CO ZINC000770265969 585572466 /nfs/dbraw/zinc/57/24/66/585572466.db2.gz WLMMBOBQVMABPS-JTQLQIEISA-N 1 1 240.259 0.380 20 5 BCBDMO C[N@H+](CCc1nccs1)CC[N+](=O)[O-] ZINC000791054680 585973076 /nfs/dbraw/zinc/97/30/76/585973076.db2.gz OJRPKVFICILIEC-UHFFFAOYSA-N 1 1 215.278 0.894 20 5 BCBDMO C[N@@H+](CCc1nccs1)CC[N+](=O)[O-] ZINC000791054680 585973077 /nfs/dbraw/zinc/97/30/77/585973077.db2.gz OJRPKVFICILIEC-UHFFFAOYSA-N 1 1 215.278 0.894 20 5 BCBDMO O=[N+]([O-])CC[N@H+](CCO)C1CCCCC1 ZINC000791054634 585973420 /nfs/dbraw/zinc/97/34/20/585973420.db2.gz MSYYIWBWLHTQGA-UHFFFAOYSA-N 1 1 216.281 0.890 20 5 BCBDMO Cc1c[nH+]cn1CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000860777036 589119382 /nfs/dbraw/zinc/11/93/82/589119382.db2.gz JOKLNWXVXRNRLT-QMMMGPOBSA-N 1 1 227.220 0.400 20 5 BCBDMO Cc1c[nH+]cn1CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000860777034 589119425 /nfs/dbraw/zinc/11/94/25/589119425.db2.gz JOKLNWXVXRNRLT-MRVPVSSYSA-N 1 1 227.220 0.400 20 5 BCBDMO CO[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876751562 590238004 /nfs/dbraw/zinc/23/80/04/590238004.db2.gz ZXWIMHAJCXRLNR-SECBINFHSA-N 1 1 240.263 0.549 20 5 BCBDMO CO[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876751562 590238006 /nfs/dbraw/zinc/23/80/06/590238006.db2.gz ZXWIMHAJCXRLNR-SECBINFHSA-N 1 1 240.263 0.549 20 5 BCBDMO C[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881733490 591267518 /nfs/dbraw/zinc/26/75/18/591267518.db2.gz XYNKOUJQPXRNDH-UHFFFAOYSA-N 1 1 240.238 0.881 20 5 BCBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])nc1 ZINC000884824800 592022754 /nfs/dbraw/zinc/02/27/54/592022754.db2.gz OPQKQWAZMZOLAE-UHFFFAOYSA-N 1 1 240.263 0.326 20 5 BCBDMO C[C@@]1(O)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886032408 592136520 /nfs/dbraw/zinc/13/65/20/592136520.db2.gz GAZWWCGGRPRLKL-LLVKDONJSA-N 1 1 237.259 0.947 20 5 BCBDMO C[C@@]1(O)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886032408 592136521 /nfs/dbraw/zinc/13/65/21/592136521.db2.gz GAZWWCGGRPRLKL-LLVKDONJSA-N 1 1 237.259 0.947 20 5 BCBDMO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1O ZINC000886100134 592154897 /nfs/dbraw/zinc/15/48/97/592154897.db2.gz GOMYAHDFNXEZLM-PSASIEDQSA-N 1 1 237.259 0.802 20 5 BCBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1O ZINC000886100134 592154898 /nfs/dbraw/zinc/15/48/98/592154898.db2.gz GOMYAHDFNXEZLM-PSASIEDQSA-N 1 1 237.259 0.802 20 5 BCBDMO CCC[N@@H+](C)CC(C)(C)NCC[N+](=O)[O-] ZINC000931068552 634209199 /nfs/dbraw/zinc/20/91/99/634209199.db2.gz GNOAWLAIQOPEKG-UHFFFAOYSA-N 1 1 217.313 0.973 20 5 BCBDMO O=C1OCCN1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000931068592 634209609 /nfs/dbraw/zinc/20/96/09/634209609.db2.gz IELWHEZEYQKCSX-UHFFFAOYSA-N 1 1 243.263 0.180 20 5 BCBDMO COC(=O)CC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931620311 635127751 /nfs/dbraw/zinc/12/77/51/635127751.db2.gz QEMJEHBVJSOBQO-JTQLQIEISA-N 1 1 244.291 0.928 20 5 BCBDMO C[C@H](CNCC[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000905049748 637567104 /nfs/dbraw/zinc/56/71/04/637567104.db2.gz PXIDYPXRBJSSKC-GHMZBOCLSA-N 1 1 229.324 0.973 20 5 BCBDMO C[C@H](C[NH2+]CC[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000905049748 637567110 /nfs/dbraw/zinc/56/71/10/637567110.db2.gz PXIDYPXRBJSSKC-GHMZBOCLSA-N 1 1 229.324 0.973 20 5 BCBDMO C[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000905110557 637619076 /nfs/dbraw/zinc/61/90/76/637619076.db2.gz LXWHSBVDYQUPNY-ZJUUUORDSA-N 1 1 243.307 0.642 20 5 BCBDMO C[C@@H]1C[C@H](NCC[N+](=O)[O-])CC[N@H+]1C ZINC000905141002 637648382 /nfs/dbraw/zinc/64/83/82/637648382.db2.gz XEAVINMZPHWFQC-RKDXNWHRSA-N 1 1 201.270 0.335 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000905264549 637717530 /nfs/dbraw/zinc/71/75/30/637717530.db2.gz TUVHZBIPAGPAND-ZETCQYMHSA-N 1 1 210.237 0.133 20 5 BCBDMO C[C@H]1CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971886 637986772 /nfs/dbraw/zinc/98/67/72/637986772.db2.gz DNEGIIJBUOQSEN-WCBMZHEXSA-N 1 1 240.263 0.246 20 5 BCBDMO CC1(C)C[N@H+](CC[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000930294747 639688789 /nfs/dbraw/zinc/68/87/89/639688789.db2.gz DEHQUIOTDGXURE-LLVKDONJSA-N 1 1 244.291 0.533 20 5 BCBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000930294747 639688795 /nfs/dbraw/zinc/68/87/95/639688795.db2.gz DEHQUIOTDGXURE-LLVKDONJSA-N 1 1 244.291 0.533 20 5 BCBDMO C[N@H+]1CCN(CC[N+](=O)[O-])CC1(C)C ZINC000930312770 639697759 /nfs/dbraw/zinc/69/77/59/639697759.db2.gz QXHKOTYYUBRVIT-UHFFFAOYSA-N 1 1 201.270 0.289 20 5 BCBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000930452118 639756098 /nfs/dbraw/zinc/75/60/98/639756098.db2.gz JZBBFSCKRFJXSR-AJBSGBCOSA-N 1 1 226.276 0.618 20 5 BCBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CC[N+](=O)[O-] ZINC000930454635 639759232 /nfs/dbraw/zinc/75/92/32/639759232.db2.gz HQCKIGDUZLELFM-MNOVXSKESA-N 1 1 243.307 0.058 20 5 BCBDMO CCC[C@@]1(CO)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930503805 639776788 /nfs/dbraw/zinc/77/67/88/639776788.db2.gz FSNBKVMZEATHRJ-SNVBAGLBSA-N 1 1 216.281 0.748 20 5 BCBDMO C[C@@](CO)([NH2+]CC[N+](=O)[O-])c1cccc(O)c1 ZINC000930499920 639784422 /nfs/dbraw/zinc/78/44/22/639784422.db2.gz ZCGVWPKBUOQFEY-NSHDSACASA-N 1 1 240.259 0.466 20 5 BCBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC[N+](=O)[O-] ZINC000930607008 639818431 /nfs/dbraw/zinc/81/84/31/639818431.db2.gz LCKJMBZTUMVLRM-RKDXNWHRSA-N 1 1 202.254 0.356 20 5 BCBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC[N+](=O)[O-] ZINC000930607005 639818561 /nfs/dbraw/zinc/81/85/61/639818561.db2.gz LCKJMBZTUMVLRM-BDAKNGLRSA-N 1 1 202.254 0.356 20 5 BCBDMO CCOC(C[N@H+](CC)CC[N+](=O)[O-])OCC ZINC000930656344 639849171 /nfs/dbraw/zinc/84/91/71/639849171.db2.gz ONISLLCYKOXQTG-UHFFFAOYSA-N 1 1 234.296 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585330942 /nfs/dbraw/zinc/33/09/42/585330942.db2.gz BSIJCQMZPBXJDD-IVZWLZJFSA-N 1 1 241.291 0.110 20 5 BCBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839558477 585330943 /nfs/dbraw/zinc/33/09/43/585330943.db2.gz BSIJCQMZPBXJDD-IVZWLZJFSA-N 1 1 241.291 0.110 20 5 BCBDMO CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839696274 585335618 /nfs/dbraw/zinc/33/56/18/585335618.db2.gz PZSNKOPCKCKSMW-NXEZZACHSA-N 1 1 243.307 0.500 20 5 BCBDMO CCC[N@H+](CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696274 585335619 /nfs/dbraw/zinc/33/56/19/585335619.db2.gz PZSNKOPCKCKSMW-NXEZZACHSA-N 1 1 243.307 0.500 20 5 BCBDMO CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839696274 585335620 /nfs/dbraw/zinc/33/56/20/585335620.db2.gz PZSNKOPCKCKSMW-NXEZZACHSA-N 1 1 243.307 0.500 20 5 BCBDMO CC(C)N(CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708169 585337790 /nfs/dbraw/zinc/33/77/90/585337790.db2.gz GOYYNMCPAPZVHK-NXEZZACHSA-N 1 1 243.307 0.450 20 5 BCBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839716610 585338299 /nfs/dbraw/zinc/33/82/99/585338299.db2.gz DSYBCTMFIBORIN-ZYUZMQFOSA-N 1 1 241.291 0.203 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000761093195 585408190 /nfs/dbraw/zinc/40/81/90/585408190.db2.gz NKPWFFPBGLLFQG-SCZZXKLOSA-N 1 1 222.248 0.886 20 5 BCBDMO O=[N+]([O-])CC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000791052710 585972634 /nfs/dbraw/zinc/97/26/34/585972634.db2.gz ASDHNQHQEGMIAH-SECBINFHSA-N 1 1 214.265 0.764 20 5 BCBDMO COC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791051421 585972954 /nfs/dbraw/zinc/97/29/54/585972954.db2.gz CTKPWNODOGXKAN-SECBINFHSA-N 1 1 202.254 0.622 20 5 BCBDMO CC[N@@H+](C)C[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000791053105 585973048 /nfs/dbraw/zinc/97/30/48/585973048.db2.gz SJCUZGDNMCADDA-SNVBAGLBSA-N 1 1 215.297 0.537 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])CC1CCOCC1 ZINC000791055749 585973725 /nfs/dbraw/zinc/97/37/25/585973725.db2.gz WQCOHYWWLFESQL-UHFFFAOYSA-N 1 1 202.254 0.622 20 5 BCBDMO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840374623 586933692 /nfs/dbraw/zinc/93/36/92/586933692.db2.gz FBJSKKGVTKFNGT-IVZWLZJFSA-N 1 1 241.291 0.110 20 5 BCBDMO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840374623 586933693 /nfs/dbraw/zinc/93/36/93/586933693.db2.gz FBJSKKGVTKFNGT-IVZWLZJFSA-N 1 1 241.291 0.110 20 5 BCBDMO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840374623 586933694 /nfs/dbraw/zinc/93/36/94/586933694.db2.gz FBJSKKGVTKFNGT-IVZWLZJFSA-N 1 1 241.291 0.110 20 5 BCBDMO Cc1[nH+]ccn1CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840669550 587915923 /nfs/dbraw/zinc/91/59/23/587915923.db2.gz CELXARUNTPCEKK-RKDXNWHRSA-N 1 1 239.231 0.400 20 5 BCBDMO C[NH+](C)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673583 587916417 /nfs/dbraw/zinc/91/64/17/587916417.db2.gz UEQBSSCTNOFWQL-HTQZYQBOSA-N 1 1 216.237 0.147 20 5 BCBDMO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872785444 589970282 /nfs/dbraw/zinc/97/02/82/589970282.db2.gz RDXXOBJODJKRIG-DTORHVGOSA-N 1 1 238.247 0.327 20 5 BCBDMO O=[N+]([O-])c1cnn(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872785444 589970284 /nfs/dbraw/zinc/97/02/84/589970284.db2.gz RDXXOBJODJKRIG-DTORHVGOSA-N 1 1 238.247 0.327 20 5 BCBDMO C[N@@H+](CCO)CCNc1ccccc1[N+](=O)[O-] ZINC000884822846 592022105 /nfs/dbraw/zinc/02/21/05/592022105.db2.gz GZPXNIJNEWWSNQ-UHFFFAOYSA-N 1 1 239.275 0.931 20 5 BCBDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000931474303 634495213 /nfs/dbraw/zinc/49/52/13/634495213.db2.gz LPUKLTIGUUUJNS-RKDXNWHRSA-N 1 1 202.254 0.762 20 5 BCBDMO CO[C@H]1CC[C@@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000931474277 634495247 /nfs/dbraw/zinc/49/52/47/634495247.db2.gz LPUKLTIGUUUJNS-BDAKNGLRSA-N 1 1 202.254 0.762 20 5 BCBDMO C[N@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000176100400 631512905 /nfs/dbraw/zinc/51/29/05/631512905.db2.gz YURSZBWKQXGENL-SECBINFHSA-N 1 1 240.263 0.717 20 5 BCBDMO C[N@@H+](C[C@H]1CCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000176100400 631512907 /nfs/dbraw/zinc/51/29/07/631512907.db2.gz YURSZBWKQXGENL-SECBINFHSA-N 1 1 240.263 0.717 20 5 BCBDMO CC[N@@H+]1[C@H](C)CN(CC[N+](=O)[O-])C[C@@H]1C ZINC000930883909 634152909 /nfs/dbraw/zinc/15/29/09/634152909.db2.gz XWRSXIUVSTXBFF-AOOOYVTPSA-N 1 1 215.297 0.678 20 5 BCBDMO C[C@H](CNCC[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000905049751 637567273 /nfs/dbraw/zinc/56/72/73/637567273.db2.gz PXIDYPXRBJSSKC-WDEREUQCSA-N 1 1 229.324 0.973 20 5 BCBDMO C[C@H](C[NH2+]CC[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000905049751 637567281 /nfs/dbraw/zinc/56/72/81/637567281.db2.gz PXIDYPXRBJSSKC-WDEREUQCSA-N 1 1 229.324 0.973 20 5 BCBDMO CN(C(=O)C[NH2+]CC[N+](=O)[O-])C1CCCCC1 ZINC000905149961 637659113 /nfs/dbraw/zinc/65/91/13/637659113.db2.gz WFRIYOTVNSXHKC-UHFFFAOYSA-N 1 1 243.307 0.644 20 5 BCBDMO C[C@@H]1C[C@H](NCC[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000905160971 637673746 /nfs/dbraw/zinc/67/37/46/637673746.db2.gz RGQODTGAZXLTDB-BDAKNGLRSA-N 1 1 213.281 0.478 20 5 BCBDMO C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CN1C1CC1 ZINC000905160971 637673754 /nfs/dbraw/zinc/67/37/54/637673754.db2.gz RGQODTGAZXLTDB-BDAKNGLRSA-N 1 1 213.281 0.478 20 5 BCBDMO Cc1cc(C[C@@H](C)[NH2+]CC[N+](=O)[O-])n[nH]1 ZINC000905175553 637685160 /nfs/dbraw/zinc/68/51/60/637685160.db2.gz NNTKLPKREVZAMR-SSDOTTSWSA-N 1 1 212.253 0.515 20 5 BCBDMO CN(C)C1(C[NH2+]CC[N+](=O)[O-])CCC1 ZINC000905230488 637690351 /nfs/dbraw/zinc/69/03/51/637690351.db2.gz MUIYLOLTJTWDNS-UHFFFAOYSA-N 1 1 201.270 0.337 20 5 BCBDMO C[C@H]([NH2+]CC[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000905342356 637781930 /nfs/dbraw/zinc/78/19/30/637781930.db2.gz AAASCNJGCHNYBF-WHFBIAKZSA-N 1 1 216.159 0.164 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000905343479 637783193 /nfs/dbraw/zinc/78/31/93/637783193.db2.gz YZAOIASUMYBLLR-MNOVXSKESA-N 1 1 222.244 0.511 20 5 BCBDMO Cc1nn(C)cc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930207156 639636749 /nfs/dbraw/zinc/63/67/49/639636749.db2.gz FTGIAKJNRJOBNJ-SSDOTTSWSA-N 1 1 212.253 0.656 20 5 BCBDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930267021 639668725 /nfs/dbraw/zinc/66/87/25/639668725.db2.gz FDDRRLOGDINXGP-ZJUUUORDSA-N 1 1 216.281 0.889 20 5 BCBDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930267018 639670157 /nfs/dbraw/zinc/67/01/57/639670157.db2.gz FDDRRLOGDINXGP-UWVGGRQHSA-N 1 1 216.281 0.889 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000930366757 639731302 /nfs/dbraw/zinc/73/13/02/639731302.db2.gz YMLNDMPVVMUDLU-UWVGGRQHSA-N 1 1 214.265 0.907 20 5 BCBDMO C[C@@H]1CN(CC[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000930579226 639813439 /nfs/dbraw/zinc/81/34/39/639813439.db2.gz DJPJTWBYYOUVDD-DTORHVGOSA-N 1 1 201.270 0.288 20 5 BCBDMO CC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930625461 639827994 /nfs/dbraw/zinc/82/79/94/639827994.db2.gz GYFWKYCOWCHIEO-UHFFFAOYSA-N 1 1 200.238 0.564 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000930737286 639885967 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ZINC000931102461 640067543 /nfs/dbraw/zinc/06/75/43/640067543.db2.gz GOHXZBPOARTRLB-VIFPVBQESA-N 1 1 216.281 0.746 20 5 BCBDMO O=C1N[C@H](C2CC[NH+](CC[N+](=O)[O-])CC2)CO1 ZINC000932769925 640609053 /nfs/dbraw/zinc/60/90/53/640609053.db2.gz LIDXCAYQMPHHBK-VIFPVBQESA-N 1 1 243.263 0.084 20 5 BCBDMO CC[N@@H+](CC[N+](=O)[O-])C[C@H]1CCCO1 ZINC000929417870 641258371 /nfs/dbraw/zinc/25/83/71/641258371.db2.gz VVKYRRHWRCOJTG-SECBINFHSA-N 1 1 202.254 0.764 20 5 BCBDMO CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020140692 643061648 /nfs/dbraw/zinc/06/16/48/643061648.db2.gz UFIZNLBBYHSJBL-ZYUZMQFOSA-N 1 1 241.291 0.298 20 5 BCBDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929594943 646189928 /nfs/dbraw/zinc/18/99/28/646189928.db2.gz KRARSPJDAIKJPF-BDAKNGLRSA-N 1 1 202.254 0.498 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000929607258 646197028 /nfs/dbraw/zinc/19/70/28/646197028.db2.gz NRHOAPQKRDQXHX-VIFPVBQESA-N 1 1 202.254 0.622 20 5 BCBDMO CN(CC[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000929622188 646206186 /nfs/dbraw/zinc/20/61/86/646206186.db2.gz CDLFHQYKSMOUHL-JTQLQIEISA-N 1 1 213.281 0.432 20 5 BCBDMO CN(CC[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000929622189 646206880 /nfs/dbraw/zinc/20/68/80/646206880.db2.gz CDLFHQYKSMOUHL-SNVBAGLBSA-N 1 1 213.281 0.432 20 5 BCBDMO O=[N+]([O-])CC[N@H+](CCCCO)C1CC1 ZINC000929702205 646256808 /nfs/dbraw/zinc/25/68/08/646256808.db2.gz OAGPLMRYHJGLRO-UHFFFAOYSA-N 1 1 202.254 0.500 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000929822514 646337988 /nfs/dbraw/zinc/33/79/88/646337988.db2.gz DPLFLDAJAOHVKT-NXEZZACHSA-N 1 1 214.265 0.764 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])C1CCC(CO)CC1 ZINC000930053364 646412811 /nfs/dbraw/zinc/41/28/11/646412811.db2.gz DNTVCXNIZCXOES-UHFFFAOYSA-N 1 1 216.281 0.746 20 5 BCBDMO CC[N@H+]1CCN(CC[N+](=O)[O-])C[C@@H]1C ZINC000930084983 646426295 /nfs/dbraw/zinc/42/62/95/646426295.db2.gz FNNKVOYCVKMXLV-VIFPVBQESA-N 1 1 201.270 0.289 20 5 BCBDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC[N+](=O)[O-] ZINC000930151416 646463138 /nfs/dbraw/zinc/46/31/38/646463138.db2.gz VZXPIAMUOBSRJO-UHFFFAOYSA-N 1 1 245.323 0.794 20 5 BCBDMO C[N@H+]1CCC[C@@H]1Cn1cc([N+](=O)[O-])cn1 ZINC000916575116 711873171 /nfs/dbraw/zinc/87/31/71/711873171.db2.gz IPDBQSSBPCQYGB-MRVPVSSYSA-N 1 1 210.237 0.886 20 5 BCBDMO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1O ZINC000351779046 136253910 /nfs/dbraw/zinc/25/39/10/136253910.db2.gz IZTTXSIZWLHLOA-VXNVDRBHSA-N 1 1 240.263 0.141 20 5 BCBDMO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1O ZINC000351779046 136253911 /nfs/dbraw/zinc/25/39/11/136253911.db2.gz IZTTXSIZWLHLOA-VXNVDRBHSA-N 1 1 240.263 0.141 20 5 BCBDMO Cn1cc(C[N@H+](C)C(C)(C)CO)c([N+](=O)[O-])n1 ZINC000602785665 349749014 /nfs/dbraw/zinc/74/90/14/349749014.db2.gz XLFOWSQTGQCSHZ-UHFFFAOYSA-N 1 1 242.279 0.531 20 5 BCBDMO Cn1cc(C[N@@H+](C)C(C)(C)CO)c([N+](=O)[O-])n1 ZINC000602785665 349749017 /nfs/dbraw/zinc/74/90/17/349749017.db2.gz XLFOWSQTGQCSHZ-UHFFFAOYSA-N 1 1 242.279 0.531 20 5 BCBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000310573232 343541475 /nfs/dbraw/zinc/54/14/75/343541475.db2.gz ZVSMWGWMXUCGSO-SNVBAGLBSA-N 1 1 242.279 0.492 20 5 BCBDMO NC(=O)C1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000152416521 344551843 /nfs/dbraw/zinc/55/18/43/344551843.db2.gz MYQXKBHVIPTFQC-UHFFFAOYSA-N 1 1 235.243 0.702 20 5 BCBDMO CC[N@@H+](C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269145 344799620 /nfs/dbraw/zinc/79/96/20/344799620.db2.gz GTNNIPMQVPXOMZ-UHFFFAOYSA-N 1 1 240.267 0.331 20 5 BCBDMO C[C@@H](CCO)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000593107025 347859901 /nfs/dbraw/zinc/85/99/01/347859901.db2.gz DQPXHKFYFFAVNN-VIFPVBQESA-N 1 1 242.279 0.494 20 5 BCBDMO [NH3+][C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725215 347937371 /nfs/dbraw/zinc/93/73/71/347937371.db2.gz ISRDBLKEGKINIY-VIFPVBQESA-N 1 1 237.259 0.833 20 5 BCBDMO Cc1noc(C[N@@H+]2CC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000595341199 348225209 /nfs/dbraw/zinc/22/52/09/348225209.db2.gz DAYXXVUYBHIGKO-SNVBAGLBSA-N 1 1 241.247 0.848 20 5 BCBDMO Cc1noc(C[N@H+]2CC[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000595341199 348225214 /nfs/dbraw/zinc/22/52/14/348225214.db2.gz DAYXXVUYBHIGKO-SNVBAGLBSA-N 1 1 241.247 0.848 20 5 BCBDMO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C(CO)CO ZINC000595511375 348266290 /nfs/dbraw/zinc/26/62/90/348266290.db2.gz IKSUEMFOSSEYEP-UHFFFAOYSA-N 1 1 244.222 0.177 20 5 BCBDMO Cc1[nH+]ccn1CCn1cc([N+](=O)[O-])cn1 ZINC000174815457 180262437 /nfs/dbraw/zinc/26/24/37/180262437.db2.gz XUDHJQMOQZKUNB-UHFFFAOYSA-N 1 1 221.220 0.996 20 5 BCBDMO [NH3+]C1(CNCCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000342147405 181333079 /nfs/dbraw/zinc/33/30/79/181333079.db2.gz WLSLAJFJSPPACA-UHFFFAOYSA-N 1 1 239.279 0.262 20 5 BCBDMO NC1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000342147405 181333082 /nfs/dbraw/zinc/33/30/82/181333082.db2.gz WLSLAJFJSPPACA-UHFFFAOYSA-N 1 1 239.279 0.262 20 5 BCBDMO CC(C)[C@@H]([NH3+])CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000574275703 365024400 /nfs/dbraw/zinc/02/44/00/365024400.db2.gz NNJPLZQQJZSROH-LURJTMIESA-N 1 1 241.251 0.031 20 5 BCBDMO CC[N@@H+](C)C[C@@H](O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000581022044 367240200 /nfs/dbraw/zinc/24/02/00/367240200.db2.gz JJTIHKLXMVIYHF-SECBINFHSA-N 1 1 242.279 0.412 20 5 BCBDMO Cn1cc(C[N@@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])n1 ZINC000602486956 371813299 /nfs/dbraw/zinc/81/32/99/371813299.db2.gz XCXNCNOKTXCMMV-JTQLQIEISA-N 1 1 240.263 0.285 20 5 BCBDMO Cn1cc(C[N@H+]2CC[C@](C)(O)C2)c([N+](=O)[O-])n1 ZINC000602486956 371813310 /nfs/dbraw/zinc/81/33/10/371813310.db2.gz XCXNCNOKTXCMMV-JTQLQIEISA-N 1 1 240.263 0.285 20 5 BCBDMO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1O ZINC000602799779 371840629 /nfs/dbraw/zinc/84/06/29/371840629.db2.gz UBQCKBKOENPRJG-APPZFPTMSA-N 1 1 240.263 0.141 20 5 BCBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1O ZINC000602799779 371840637 /nfs/dbraw/zinc/84/06/37/371840637.db2.gz UBQCKBKOENPRJG-APPZFPTMSA-N 1 1 240.263 0.141 20 5 BCBDMO O=[N+]([O-])c1ccccc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000236594528 182948895 /nfs/dbraw/zinc/94/88/95/182948895.db2.gz SOHGLWYWKKOCTM-QWRGUYRKSA-N 1 1 238.243 0.132 20 5 BCBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000340223894 384136637 /nfs/dbraw/zinc/13/66/37/384136637.db2.gz UGQKHYSCPGOAER-NSHDSACASA-N 1 1 249.270 0.915 20 5 BCBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000340223894 384136644 /nfs/dbraw/zinc/13/66/44/384136644.db2.gz UGQKHYSCPGOAER-NSHDSACASA-N 1 1 249.270 0.915 20 5 BCBDMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH2+]CC1 ZINC000082653747 384520455 /nfs/dbraw/zinc/52/04/55/384520455.db2.gz BLADFSHEDUPOCX-UHFFFAOYSA-N 1 1 237.259 0.706 20 5 BCBDMO CC[NH2+][C@H](C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000564949124 384590305 /nfs/dbraw/zinc/59/03/05/384590305.db2.gz UONIOIRKRAAZTC-ZCFIWIBFSA-N 1 1 241.251 0.046 20 5 BCBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000340909875 385361432 /nfs/dbraw/zinc/36/14/32/385361432.db2.gz NZGUNFWLKTYDPA-SFYZADRCSA-N 1 1 240.263 0.283 20 5 BCBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000340909875 385361433 /nfs/dbraw/zinc/36/14/33/385361433.db2.gz NZGUNFWLKTYDPA-SFYZADRCSA-N 1 1 240.263 0.283 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CO ZINC000332661512 388794137 /nfs/dbraw/zinc/79/41/37/388794137.db2.gz OPWVEWXVSKUAAK-MRVPVSSYSA-N 1 1 240.263 0.285 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CO ZINC000332661512 388794138 /nfs/dbraw/zinc/79/41/38/388794138.db2.gz OPWVEWXVSKUAAK-MRVPVSSYSA-N 1 1 240.263 0.285 20 5 BCBDMO C[C@@]1(O)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177985213 398103274 /nfs/dbraw/zinc/10/32/74/398103274.db2.gz QTYHHQIMXTXJNR-SNVBAGLBSA-N 1 1 240.263 0.248 20 5 BCBDMO CN(C)C(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472352 172370809 /nfs/dbraw/zinc/37/08/09/172370809.db2.gz BCRIBLHDOQTRMH-UHFFFAOYSA-N 1 1 243.288 0.834 20 5 BCBDMO C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273611575 173019032 /nfs/dbraw/zinc/01/90/32/173019032.db2.gz MAJOYTOVYHSRDC-UHFFFAOYSA-N 1 1 237.263 0.527 20 5 BCBDMO COCCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174834297 174217051 /nfs/dbraw/zinc/21/70/51/174217051.db2.gz TZFFQYCECKINAT-UHFFFAOYSA-N 1 1 242.279 0.760 20 5 BCBDMO C[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000095931336 536427334 /nfs/dbraw/zinc/42/73/34/536427334.db2.gz OAZQEHBBZOAQKN-UHFFFAOYSA-N 1 1 223.236 0.137 20 5 BCBDMO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000855363964 588829518 /nfs/dbraw/zinc/82/95/18/588829518.db2.gz WXDSKCYZXAGAEL-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000855363964 588829519 /nfs/dbraw/zinc/82/95/19/588829519.db2.gz WXDSKCYZXAGAEL-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000855363964 588829520 /nfs/dbraw/zinc/82/95/20/588829520.db2.gz WXDSKCYZXAGAEL-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO Cn1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])n1 ZINC000878316261 583369016 /nfs/dbraw/zinc/36/90/16/583369016.db2.gz HSOJIAZEHISOLB-APPZFPTMSA-N 1 1 222.248 0.923 20 5 BCBDMO Cn1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])n1 ZINC000878316261 583369019 /nfs/dbraw/zinc/36/90/19/583369019.db2.gz HSOJIAZEHISOLB-APPZFPTMSA-N 1 1 222.248 0.923 20 5 BCBDMO CC[N@H+]1CC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000895161649 583610434 /nfs/dbraw/zinc/61/04/34/583610434.db2.gz SOXKXRLFXWGGOT-QMMMGPOBSA-N 1 1 239.279 0.834 20 5 BCBDMO C[C@@H]1C[N@@H+](CCCNCC[N+](=O)[O-])C[C@H](C)O1 ZINC000899865058 584245477 /nfs/dbraw/zinc/24/54/77/584245477.db2.gz PIFKGFYRTSBFTB-PHIMTYICSA-N 1 1 245.323 0.352 20 5 BCBDMO C[C@@H]1C[N@H+](CCCNCC[N+](=O)[O-])C[C@H](C)O1 ZINC000899865058 584245479 /nfs/dbraw/zinc/24/54/79/584245479.db2.gz PIFKGFYRTSBFTB-PHIMTYICSA-N 1 1 245.323 0.352 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1CO ZINC000885967393 585032015 /nfs/dbraw/zinc/03/20/15/585032015.db2.gz NTRUAUYLZNFEKJ-SNVBAGLBSA-N 1 1 237.259 0.947 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1CO ZINC000885967393 585032016 /nfs/dbraw/zinc/03/20/16/585032016.db2.gz NTRUAUYLZNFEKJ-SNVBAGLBSA-N 1 1 237.259 0.947 20 5 BCBDMO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839582802 585330826 /nfs/dbraw/zinc/33/08/26/585330826.db2.gz SCQFTYKTCAKQTG-OPRDCNLKSA-N 1 1 243.307 0.498 20 5 BCBDMO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839632626 585332964 /nfs/dbraw/zinc/33/29/64/585332964.db2.gz HROVZKWWAQLDGG-IVZWLZJFSA-N 1 1 241.291 0.204 20 5 BCBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839632594 585333001 /nfs/dbraw/zinc/33/30/01/585333001.db2.gz XAMUNRICHXXAON-IVZWLZJFSA-N 1 1 243.307 0.498 20 5 BCBDMO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839632594 585333002 /nfs/dbraw/zinc/33/30/02/585333002.db2.gz XAMUNRICHXXAON-IVZWLZJFSA-N 1 1 243.307 0.498 20 5 BCBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839632594 585333003 /nfs/dbraw/zinc/33/30/03/585333003.db2.gz XAMUNRICHXXAON-IVZWLZJFSA-N 1 1 243.307 0.498 20 5 BCBDMO CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839681678 585337292 /nfs/dbraw/zinc/33/72/92/585337292.db2.gz XQVKGKXOUNTBSB-NXEZZACHSA-N 1 1 243.307 0.500 20 5 BCBDMO CCCC[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839681678 585337293 /nfs/dbraw/zinc/33/72/93/585337293.db2.gz XQVKGKXOUNTBSB-NXEZZACHSA-N 1 1 243.307 0.500 20 5 BCBDMO CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839681678 585337294 /nfs/dbraw/zinc/33/72/94/585337294.db2.gz XQVKGKXOUNTBSB-NXEZZACHSA-N 1 1 243.307 0.500 20 5 BCBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839716600 585338501 /nfs/dbraw/zinc/33/85/01/585338501.db2.gz DSYBCTMFIBORIN-AXTSPUMRSA-N 1 1 241.291 0.203 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000761101491 585409510 /nfs/dbraw/zinc/40/95/10/585409510.db2.gz YRGNZZCBDJCIAD-DTWKUNHWSA-N 1 1 222.248 0.886 20 5 BCBDMO C[N@H+]1CCN(CC[N+](=O)[O-])C(C)(C)C1 ZINC000787728470 585914890 /nfs/dbraw/zinc/91/48/90/585914890.db2.gz FRFOSGTVXVYDSC-UHFFFAOYSA-N 1 1 201.270 0.289 20 5 BCBDMO COC(=O)[C@]1(C)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000787728106 585915049 /nfs/dbraw/zinc/91/50/49/585915049.db2.gz BRWYHCMQTLESOZ-SECBINFHSA-N 1 1 216.237 0.148 20 5 BCBDMO CC(C)C(=O)NC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791054197 585973430 /nfs/dbraw/zinc/97/34/30/585973430.db2.gz RRQYYUSHKLCCTK-UHFFFAOYSA-N 1 1 243.307 0.500 20 5 BCBDMO CC(C)[C@H](C[NH+](C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870565523 589676495 /nfs/dbraw/zinc/67/64/95/589676495.db2.gz VJNCJGATPSCKDD-BBBLOLIVSA-N 1 1 244.291 0.781 20 5 BCBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C)C1 ZINC000892319648 632050088 /nfs/dbraw/zinc/05/00/88/632050088.db2.gz NYTSFQLQNULMOJ-MRVPVSSYSA-N 1 1 239.279 0.692 20 5 BCBDMO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000309675464 632639808 /nfs/dbraw/zinc/63/98/08/632639808.db2.gz LPPZWRGWPQBHQS-HTQZYQBOSA-N 1 1 229.280 0.156 20 5 BCBDMO COC(=O)[C@H]1CSCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930739164 634079226 /nfs/dbraw/zinc/07/92/26/634079226.db2.gz QQDZRMGZYVDABH-MRVPVSSYSA-N 1 1 248.304 0.101 20 5 BCBDMO COC(=O)[C@H]1CSCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930739164 634079229 /nfs/dbraw/zinc/07/92/29/634079229.db2.gz QQDZRMGZYVDABH-MRVPVSSYSA-N 1 1 248.304 0.101 20 5 BCBDMO COC(=O)[C@]12CCC[C@H]1[N@@H+](CC[N+](=O)[O-])CC2 ZINC000931621731 635132499 /nfs/dbraw/zinc/13/24/99/635132499.db2.gz DQXBGLZQOFOBAZ-KOLCDFICSA-N 1 1 242.275 0.681 20 5 BCBDMO CN(C)C1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000905052036 637569032 /nfs/dbraw/zinc/56/90/32/637569032.db2.gz ZZGHJPRTEGDDOB-UHFFFAOYSA-N 1 1 215.297 0.727 20 5 BCBDMO C[C@@H](CN1CCCCC1)[NH2+]CC[N+](=O)[O-] ZINC000905033993 637555033 /nfs/dbraw/zinc/55/50/33/637555033.db2.gz HEACYJCBRXVAMO-JTQLQIEISA-N 1 1 215.297 0.727 20 5 BCBDMO O=[N+]([O-])CC[NH2+]C1CCN(C2CC2)CC1 ZINC000905032007 637577150 /nfs/dbraw/zinc/57/71/50/637577150.db2.gz ZHJXXIBCNXVXKR-UHFFFAOYSA-N 1 1 213.281 0.480 20 5 BCBDMO C[C@H](CNCC[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000905086232 637585860 /nfs/dbraw/zinc/58/58/60/637585860.db2.gz CABFCJWWCPYRFY-MRVPVSSYSA-N 1 1 201.270 0.335 20 5 BCBDMO C[C@H](C[NH2+]CC[N+](=O)[O-])N(C)C1CC1 ZINC000905086232 637585869 /nfs/dbraw/zinc/58/58/69/637585869.db2.gz CABFCJWWCPYRFY-MRVPVSSYSA-N 1 1 201.270 0.335 20 5 BCBDMO CC[C@@H](C)[N@@H+](C)CCNCC[N+](=O)[O-] ZINC000905088813 637589528 /nfs/dbraw/zinc/58/95/28/637589528.db2.gz KMJVUTCNOUZPFG-SECBINFHSA-N 1 1 203.286 0.583 20 5 BCBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000905110556 637617671 /nfs/dbraw/zinc/61/76/71/637617671.db2.gz LXWHSBVDYQUPNY-VHSXEESVSA-N 1 1 243.307 0.642 20 5 BCBDMO C[C@@H]1C[C@@H](NCC[N+](=O)[O-])CC[N@H+]1C ZINC000905140999 637649013 /nfs/dbraw/zinc/64/90/13/637649013.db2.gz XEAVINMZPHWFQC-BDAKNGLRSA-N 1 1 201.270 0.335 20 5 BCBDMO CC1(C)OCC([NH2+]CC[N+](=O)[O-])CO1 ZINC000905208785 637697538 /nfs/dbraw/zinc/69/75/38/637697538.db2.gz NJVYIMXXRFNBPR-UHFFFAOYSA-N 1 1 204.226 0.004 20 5 BCBDMO CC(C)[N@@H+](C)C[C@@H](C)NCC[N+](=O)[O-] ZINC000905264485 637718062 /nfs/dbraw/zinc/71/80/62/637718062.db2.gz RZVPYRLSMIENOO-SECBINFHSA-N 1 1 203.286 0.581 20 5 BCBDMO CCc1noc(C)c1C[NH2+]CC[N+](=O)[O-] ZINC000905268582 637728423 /nfs/dbraw/zinc/72/84/23/637728423.db2.gz QDJTUEBLVGWFEV-UHFFFAOYSA-N 1 1 213.237 0.912 20 5 BCBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000905342354 637783260 /nfs/dbraw/zinc/78/32/60/637783260.db2.gz AAASCNJGCHNYBF-RFZPGFLSSA-N 1 1 216.159 0.164 20 5 BCBDMO Cc1nc(C[NH2+]CC[N+](=O)[O-])ccc1[C@H](C)O ZINC000905366684 637789670 /nfs/dbraw/zinc/78/96/70/637789670.db2.gz PTSCLWAHJDQAFH-VIFPVBQESA-N 1 1 239.275 0.810 20 5 BCBDMO O=[N+]([O-])CC[NH2+]Cc1cccc2c1OCCO2 ZINC000905704921 637890646 /nfs/dbraw/zinc/89/06/46/637890646.db2.gz OZTUSQUJRTVOBP-UHFFFAOYSA-N 1 1 238.243 0.824 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000930366758 639733365 /nfs/dbraw/zinc/73/33/65/639733365.db2.gz YMLNDMPVVMUDLU-VHSXEESVSA-N 1 1 214.265 0.907 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000930563855 639811619 /nfs/dbraw/zinc/81/16/19/639811619.db2.gz IOLSCWJOJLWJSS-LBPRGKRZSA-N 1 1 238.287 0.799 20 5 BCBDMO CC(C)[C@]1(CO)CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930584801 639814383 /nfs/dbraw/zinc/81/43/83/639814383.db2.gz PJMGBZSPZYGSMT-LLVKDONJSA-N 1 1 230.308 0.994 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000930600845 639816598 /nfs/dbraw/zinc/81/65/98/639816598.db2.gz NXQRJNVHJSZKHN-NSHDSACASA-N 1 1 243.307 0.060 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000930600845 639816599 /nfs/dbraw/zinc/81/65/99/639816599.db2.gz NXQRJNVHJSZKHN-NSHDSACASA-N 1 1 243.307 0.060 20 5 BCBDMO O=[N+]([O-])CCN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000930600845 639816600 /nfs/dbraw/zinc/81/66/00/639816600.db2.gz NXQRJNVHJSZKHN-NSHDSACASA-N 1 1 243.307 0.060 20 5 BCBDMO COC[C@]1(C)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930603556 639817562 /nfs/dbraw/zinc/81/75/62/639817562.db2.gz JMJQPAMNPLOGGK-SECBINFHSA-N 1 1 202.254 0.622 20 5 BCBDMO CC[C@@H]1C[N@@H+](CC)CCN1CC[N+](=O)[O-] ZINC000930653779 639846319 /nfs/dbraw/zinc/84/63/19/639846319.db2.gz ZNLRBNREYSWVFH-SNVBAGLBSA-N 1 1 215.297 0.679 20 5 BCBDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC[N+](=O)[O-] ZINC000930740857 639889921 /nfs/dbraw/zinc/88/99/21/639889921.db2.gz WSYCKJYQTNRIQP-RKDXNWHRSA-N 1 1 202.254 0.356 20 5 BCBDMO CC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000930852732 639947193 /nfs/dbraw/zinc/94/71/93/639947193.db2.gz MNKOTECJLQSHBH-SECBINFHSA-N 1 1 202.254 0.764 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1CO ZINC000930866575 639958332 /nfs/dbraw/zinc/95/83/32/639958332.db2.gz DANZLQHFASKMPB-VIFPVBQESA-N 1 1 202.254 0.500 20 5 BCBDMO COCC[N@H+]1CCN(CC[N+](=O)[O-])C(C)(C)C1 ZINC000930863660 639955986 /nfs/dbraw/zinc/95/59/86/639955986.db2.gz PQNDYHGPWWQGGB-UHFFFAOYSA-N 1 1 245.323 0.306 20 5 BCBDMO COC(=O)[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H]1C1CC1 ZINC000930866017 639959285 /nfs/dbraw/zinc/95/92/85/639959285.db2.gz GREMZTLSAGSDQH-VHSXEESVSA-N 1 1 242.275 0.394 20 5 BCBDMO C[N@H+](CC[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000930917759 639987506 /nfs/dbraw/zinc/98/75/06/639987506.db2.gz ZVXMBCGNYAIHCD-LBPRGKRZSA-N 1 1 238.287 0.799 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000930917759 639987515 /nfs/dbraw/zinc/98/75/15/639987515.db2.gz ZVXMBCGNYAIHCD-LBPRGKRZSA-N 1 1 238.287 0.799 20 5 BCBDMO C[N@H+](CC[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000930917758 639989790 /nfs/dbraw/zinc/98/97/90/639989790.db2.gz ZVXMBCGNYAIHCD-GFCCVEGCSA-N 1 1 238.287 0.799 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000930917758 639989792 /nfs/dbraw/zinc/98/97/92/639989792.db2.gz ZVXMBCGNYAIHCD-GFCCVEGCSA-N 1 1 238.287 0.799 20 5 BCBDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930965546 639993268 /nfs/dbraw/zinc/99/32/68/639993268.db2.gz NFUVTMQEPXBWHA-UWVGGRQHSA-N 1 1 216.281 0.746 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000931256555 640119539 /nfs/dbraw/zinc/11/95/39/640119539.db2.gz IWWUCUYJYHKJQL-OLBFVZFUSA-N 1 1 232.305 0.249 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000931256555 640119548 /nfs/dbraw/zinc/11/95/48/640119548.db2.gz IWWUCUYJYHKJQL-OLBFVZFUSA-N 1 1 232.305 0.249 20 5 BCBDMO CNC(=O)NC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000931478070 640233154 /nfs/dbraw/zinc/23/31/54/640233154.db2.gz YGEIEAAYANLFBQ-SECBINFHSA-N 1 1 244.295 0.047 20 5 BCBDMO CNC(=O)NC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000931478070 640233158 /nfs/dbraw/zinc/23/31/58/640233158.db2.gz YGEIEAAYANLFBQ-SECBINFHSA-N 1 1 244.295 0.047 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000931504653 640237343 /nfs/dbraw/zinc/23/73/43/640237343.db2.gz JJHOAWUFGPDXDM-VWYCJHECSA-N 1 1 228.292 0.889 20 5 BCBDMO C[N@H+]1CC[C@@H]2CN(CC[N+](=O)[O-])CC[C@H]21 ZINC000931545170 640265296 /nfs/dbraw/zinc/26/52/96/640265296.db2.gz BDJFBKFNLXWQAG-NXEZZACHSA-N 1 1 213.281 0.289 20 5 BCBDMO COCC[N@@H+](CC[N+](=O)[O-])C1CCOCC1 ZINC000931562138 640274561 /nfs/dbraw/zinc/27/45/61/640274561.db2.gz BMRFALOERWEBCX-UHFFFAOYSA-N 1 1 232.280 0.391 20 5 BCBDMO C[N@H+]1CCC[C@@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000916832541 641979759 /nfs/dbraw/zinc/97/97/59/641979759.db2.gz RGRCEKSXGIWWSG-SECBINFHSA-N 1 1 237.259 0.851 20 5 BCBDMO C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+]1CCCC1 ZINC000839519942 644558050 /nfs/dbraw/zinc/55/80/50/644558050.db2.gz ORBXTUZXGDKMBW-IVZWLZJFSA-N 1 1 241.291 0.252 20 5 BCBDMO COCC[N@@H+](CC[N+](=O)[O-])CC(C)C ZINC000929275680 646054801 /nfs/dbraw/zinc/05/48/01/646054801.db2.gz XULVVHMLPCNFOW-UHFFFAOYSA-N 1 1 204.270 0.868 20 5 BCBDMO Cn1nccc1[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929293367 646068522 /nfs/dbraw/zinc/06/85/22/646068522.db2.gz FUNFKVBRRQCZCJ-SNVBAGLBSA-N 1 1 238.291 0.876 20 5 BCBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])CCCO1 ZINC000929669170 646232333 /nfs/dbraw/zinc/23/23/33/646232333.db2.gz SGZBVAGFRVXGGV-UHFFFAOYSA-N 1 1 202.254 0.764 20 5 BCBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929686365 646242265 /nfs/dbraw/zinc/24/22/65/646242265.db2.gz UBMPWKKBEMAVFC-UWVGGRQHSA-N 1 1 216.281 0.889 20 5 BCBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929686366 646242742 /nfs/dbraw/zinc/24/27/42/646242742.db2.gz UBMPWKKBEMAVFC-VHSXEESVSA-N 1 1 216.281 0.889 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000929727077 646278068 /nfs/dbraw/zinc/27/80/68/646278068.db2.gz XHGSHSWCHGYBPE-LLVKDONJSA-N 1 1 243.307 0.060 20 5 BCBDMO C[N@H+]1CCC[C@H]2CN(CC[N+](=O)[O-])CC[C@@H]21 ZINC000929842406 646352318 /nfs/dbraw/zinc/35/23/18/646352318.db2.gz CUCXHSCTFPDBFI-QWRGUYRKSA-N 1 1 227.308 0.679 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000929992486 646387811 /nfs/dbraw/zinc/38/78/11/646387811.db2.gz RNIHJYZENYYGAU-SECBINFHSA-N 1 1 224.264 0.866 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000929992486 646387813 /nfs/dbraw/zinc/38/78/13/646387813.db2.gz RNIHJYZENYYGAU-SECBINFHSA-N 1 1 224.264 0.866 20 5 BCBDMO C[C@@H]1CN(CC[N+](=O)[O-])[C@@H](C)C[N@H+]1C ZINC000930163684 646468260 /nfs/dbraw/zinc/46/82/60/646468260.db2.gz VAEZFCVXOYJVDK-BDAKNGLRSA-N 1 1 201.270 0.288 20 5 BCBDMO C[C@@H]1[C@H](C)N(CC[N+](=O)[O-])CC[N@@H+]1C ZINC000930176912 646479538 /nfs/dbraw/zinc/47/95/38/646479538.db2.gz GYDLCICOQMWLOJ-BDAKNGLRSA-N 1 1 201.270 0.288 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CO ZINC000355931264 136266244 /nfs/dbraw/zinc/26/62/44/136266244.db2.gz OPWVEWXVSKUAAK-QMMMGPOBSA-N 1 1 240.263 0.285 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CO ZINC000355931264 136266245 /nfs/dbraw/zinc/26/62/45/136266245.db2.gz OPWVEWXVSKUAAK-QMMMGPOBSA-N 1 1 240.263 0.285 20 5 BCBDMO C[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000408220743 344255378 /nfs/dbraw/zinc/25/53/78/344255378.db2.gz ZCMUVQIEFWNNKN-MRVPVSSYSA-N 1 1 237.263 0.525 20 5 BCBDMO C[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000408220743 344255379 /nfs/dbraw/zinc/25/53/79/344255379.db2.gz ZCMUVQIEFWNNKN-MRVPVSSYSA-N 1 1 237.263 0.525 20 5 BCBDMO Cn1c[nH+]cc1CCNc1ccncc1[N+](=O)[O-] ZINC000401710198 347634807 /nfs/dbraw/zinc/63/48/07/347634807.db2.gz VFDVFKKPAGJORP-UHFFFAOYSA-N 1 1 247.258 0.800 20 5 BCBDMO C[C@H](CCO)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593107711 347859928 /nfs/dbraw/zinc/85/99/28/347859928.db2.gz NEMSPYNIRFWSBV-SECBINFHSA-N 1 1 242.279 0.494 20 5 BCBDMO C[C@H](CCO)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000593107024 347859794 /nfs/dbraw/zinc/85/97/94/347859794.db2.gz DQPXHKFYFFAVNN-SECBINFHSA-N 1 1 242.279 0.494 20 5 BCBDMO Cc1noc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000595406587 348240819 /nfs/dbraw/zinc/24/08/19/348240819.db2.gz DPDREQADZNEIDG-POYBYMJQSA-N 1 1 241.247 0.704 20 5 BCBDMO Cc1noc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000595406587 348240820 /nfs/dbraw/zinc/24/08/20/348240820.db2.gz DPDREQADZNEIDG-POYBYMJQSA-N 1 1 241.247 0.704 20 5 BCBDMO Cc1noc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595406589 348240941 /nfs/dbraw/zinc/24/09/41/348240941.db2.gz DPDREQADZNEIDG-XPUUQOCRSA-N 1 1 241.247 0.704 20 5 BCBDMO Cc1noc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595406589 348240943 /nfs/dbraw/zinc/24/09/43/348240943.db2.gz DPDREQADZNEIDG-XPUUQOCRSA-N 1 1 241.247 0.704 20 5 BCBDMO Cc1noc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1[N+](=O)[O-] ZINC000595521224 348270052 /nfs/dbraw/zinc/27/00/52/348270052.db2.gz YDRCYYXIBQHHQW-HTQZYQBOSA-N 1 1 241.247 0.846 20 5 BCBDMO Cc1noc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1[N+](=O)[O-] ZINC000595521224 348270055 /nfs/dbraw/zinc/27/00/55/348270055.db2.gz YDRCYYXIBQHHQW-HTQZYQBOSA-N 1 1 241.247 0.846 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccon2)c1 ZINC000602009790 349422442 /nfs/dbraw/zinc/42/24/42/349422442.db2.gz CFDJOFSZHHCOPP-UHFFFAOYSA-N 1 1 237.219 0.569 20 5 BCBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000048036981 181270909 /nfs/dbraw/zinc/27/09/09/181270909.db2.gz NUHSMJVVIVHCHX-SNVBAGLBSA-N 1 1 249.270 0.902 20 5 BCBDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000048041295 181282554 /nfs/dbraw/zinc/28/25/54/181282554.db2.gz WIUJSRAIZBMEQS-JTQLQIEISA-N 1 1 249.270 0.902 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](F)C2)c1 ZINC000451182118 202370073 /nfs/dbraw/zinc/37/00/73/202370073.db2.gz GTHGPJOFKGJSNN-MRVPVSSYSA-N 1 1 228.227 0.835 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](F)C2)c1 ZINC000451182118 202370075 /nfs/dbraw/zinc/37/00/75/202370075.db2.gz GTHGPJOFKGJSNN-MRVPVSSYSA-N 1 1 228.227 0.835 20 5 BCBDMO CC(C)[C@H]([NH3+])CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000574275705 365024749 /nfs/dbraw/zinc/02/47/49/365024749.db2.gz NNJPLZQQJZSROH-ZCFIWIBFSA-N 1 1 241.251 0.031 20 5 BCBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601964874 371779022 /nfs/dbraw/zinc/77/90/22/371779022.db2.gz QVQZXEUZNMTYTA-SECBINFHSA-N 1 1 242.279 0.492 20 5 BCBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602839108 371847356 /nfs/dbraw/zinc/84/73/56/371847356.db2.gz HKFSVIMGMPZAET-VXNVDRBHSA-N 1 1 240.263 0.283 20 5 BCBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602839108 371847364 /nfs/dbraw/zinc/84/73/64/371847364.db2.gz HKFSVIMGMPZAET-VXNVDRBHSA-N 1 1 240.263 0.283 20 5 BCBDMO Cn1c[nH+]cc1CCn1cnc([N+](=O)[O-])c1 ZINC000603314111 371881928 /nfs/dbraw/zinc/88/19/28/371881928.db2.gz ZKKZIXLUXCCGPZ-UHFFFAOYSA-N 1 1 221.220 0.768 20 5 BCBDMO Cc1[nH+]ccn1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602794129 371840329 /nfs/dbraw/zinc/84/03/29/371840329.db2.gz FYUYSPAFBMOXCM-UHFFFAOYSA-N 1 1 221.220 0.882 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ncc[nH]2)c1 ZINC000151250501 182959865 /nfs/dbraw/zinc/95/98/65/182959865.db2.gz MHRQTGFWSSSPMV-UHFFFAOYSA-N 1 1 236.235 0.304 20 5 BCBDMO C[N@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187678972 384375170 /nfs/dbraw/zinc/37/51/70/384375170.db2.gz UTUDUBDEQGGELE-MRVPVSSYSA-N 1 1 210.237 0.743 20 5 BCBDMO C[C@H](O)CC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176266776 384510271 /nfs/dbraw/zinc/51/02/71/384510271.db2.gz RFZVEDUYZCWIGU-VIFPVBQESA-N 1 1 242.279 0.494 20 5 BCBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)O ZINC000176246080 384494929 /nfs/dbraw/zinc/49/49/29/384494929.db2.gz NZNINHNLCBNQKZ-UHFFFAOYSA-N 1 1 242.279 0.494 20 5 BCBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCO)C2)c1 ZINC000364323860 385031395 /nfs/dbraw/zinc/03/13/95/385031395.db2.gz KNGITVAEQSIYRG-VIFPVBQESA-N 1 1 240.263 0.421 20 5 BCBDMO C[N@@H+](CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351337 385133753 /nfs/dbraw/zinc/13/37/53/385133753.db2.gz BZWSGUJSEYNBBM-LLVKDONJSA-N 1 1 240.259 0.552 20 5 BCBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@H]2C1 ZINC000518867868 385629250 /nfs/dbraw/zinc/62/92/50/385629250.db2.gz YOONTXUSAXXRCN-AOOOYVTPSA-N 1 1 248.286 0.988 20 5 BCBDMO CC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000054127866 387347176 /nfs/dbraw/zinc/34/71/76/387347176.db2.gz KGGWXEUQFFZGQK-UHFFFAOYSA-N 1 1 225.252 0.748 20 5 BCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372904985 388084337 /nfs/dbraw/zinc/08/43/37/388084337.db2.gz OTGDQXVNWKJPPA-RGOKHQFPSA-N 1 1 239.275 0.005 20 5 BCBDMO C[N@@H+](CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534724 388677666 /nfs/dbraw/zinc/67/76/66/388677666.db2.gz YNGHNRYAVFOIOJ-UHFFFAOYSA-N 1 1 240.259 0.898 20 5 BCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374478663 388714253 /nfs/dbraw/zinc/71/42/53/388714253.db2.gz CSDLMDARRWQHQM-UTINFBMNSA-N 1 1 239.275 0.005 20 5 BCBDMO C[C@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000284900671 388832925 /nfs/dbraw/zinc/83/29/25/388832925.db2.gz UUPMSYKIEPKDQO-MRVPVSSYSA-N 1 1 228.252 0.104 20 5 BCBDMO CC[N@@H+](CCCO)CCn1cc([N+](=O)[O-])cn1 ZINC000267032801 135151128 /nfs/dbraw/zinc/15/11/28/135151128.db2.gz NCVVRWWUTJDLDL-UHFFFAOYSA-N 1 1 242.279 0.496 20 5 BCBDMO C[C@@H](O)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000177027008 397840452 /nfs/dbraw/zinc/84/04/52/397840452.db2.gz ZZKDEHMJCSUTDE-MRVPVSSYSA-N 1 1 228.252 0.104 20 5 BCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000364787158 172329682 /nfs/dbraw/zinc/32/96/82/172329682.db2.gz BDTRGRYVRJQGGC-AEJSXWLSSA-N 1 1 241.291 0.252 20 5 BCBDMO CN(C)C(=O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037207454 172370004 /nfs/dbraw/zinc/37/00/04/172370004.db2.gz IWIZSYKLSDMZFB-UHFFFAOYSA-N 1 1 237.259 0.773 20 5 BCBDMO COCCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355544244 174217541 /nfs/dbraw/zinc/21/75/41/174217541.db2.gz MYTGZSODVUAPSE-UHFFFAOYSA-N 1 1 242.279 0.797 20 5 BCBDMO COCCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355544244 174217542 /nfs/dbraw/zinc/21/75/42/174217542.db2.gz MYTGZSODVUAPSE-UHFFFAOYSA-N 1 1 242.279 0.797 20 5 BCBDMO CC1(C(N)=O)C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000566971276 326097699 /nfs/dbraw/zinc/09/76/99/326097699.db2.gz LDBJSCNZRRDDLT-UHFFFAOYSA-N 1 1 249.270 0.902 20 5 BCBDMO CC[N@H+](CCCO)Cc1c([N+](=O)[O-])ncn1C ZINC000355327733 487501742 /nfs/dbraw/zinc/50/17/42/487501742.db2.gz FZIRAGXDODGUOL-UHFFFAOYSA-N 1 1 242.279 0.533 20 5 BCBDMO CC[N@@H+](CCCO)Cc1c([N+](=O)[O-])ncn1C ZINC000355327733 487501745 /nfs/dbraw/zinc/50/17/45/487501745.db2.gz FZIRAGXDODGUOL-UHFFFAOYSA-N 1 1 242.279 0.533 20 5 BCBDMO O=[N+]([O-])c1cnc(N[C@H]2Cc3c[nH+]cn3C2)nc1 ZINC000894995426 583565727 /nfs/dbraw/zinc/56/57/27/583565727.db2.gz MDBNZORPKGDIFH-ZETCQYMHSA-N 1 1 246.230 0.618 20 5 BCBDMO O=[N+]([O-])CC[NH+]1CC([C@@H]2CCOC2)C1 ZINC000899883491 584246907 /nfs/dbraw/zinc/24/69/07/584246907.db2.gz NTCZCMCKQDVQCU-MRVPVSSYSA-N 1 1 200.238 0.231 20 5 BCBDMO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839582801 585330919 /nfs/dbraw/zinc/33/09/19/585330919.db2.gz SCQFTYKTCAKQTG-IVZWLZJFSA-N 1 1 243.307 0.498 20 5 BCBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839672458 585336481 /nfs/dbraw/zinc/33/64/81/585336481.db2.gz HCDWOXBNJGPEQM-OPRDCNLKSA-N 1 1 241.291 0.110 20 5 BCBDMO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839672458 585336482 /nfs/dbraw/zinc/33/64/82/585336482.db2.gz HCDWOXBNJGPEQM-OPRDCNLKSA-N 1 1 241.291 0.110 20 5 BCBDMO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839672458 585336483 /nfs/dbraw/zinc/33/64/83/585336483.db2.gz HCDWOXBNJGPEQM-OPRDCNLKSA-N 1 1 241.291 0.110 20 5 BCBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839747539 585340050 /nfs/dbraw/zinc/34/00/50/585340050.db2.gz IOPUQBZMIOVVEE-NXEZZACHSA-N 1 1 239.275 0.030 20 5 BCBDMO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839747539 585340051 /nfs/dbraw/zinc/34/00/51/585340051.db2.gz IOPUQBZMIOVVEE-NXEZZACHSA-N 1 1 239.275 0.030 20 5 BCBDMO O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839747539 585340052 /nfs/dbraw/zinc/34/00/52/585340052.db2.gz IOPUQBZMIOVVEE-NXEZZACHSA-N 1 1 239.275 0.030 20 5 BCBDMO C[C@H](O)C[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791053761 585973209 /nfs/dbraw/zinc/97/32/09/585973209.db2.gz GHENQUCUQWOIKI-DTWKUNHWSA-N 1 1 202.254 0.498 20 5 BCBDMO CC1([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)OCCO1 ZINC000791053770 585973458 /nfs/dbraw/zinc/97/34/58/585973458.db2.gz GKDKVGHXMFTXIQ-JTQLQIEISA-N 1 1 244.291 0.738 20 5 BCBDMO C[C@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192449 588091702 /nfs/dbraw/zinc/09/17/02/588091702.db2.gz VLFYYTWCBDIRGK-LURJTMIESA-N 1 1 249.230 0.983 20 5 BCBDMO C[N@H+]1CC[C@H](CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000847817422 588333222 /nfs/dbraw/zinc/33/32/22/588333222.db2.gz JNRFOAATKCYKBV-OPRDCNLKSA-N 1 1 242.275 0.537 20 5 BCBDMO C[N@@H+]1CC[C@H](CCOC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000847817422 588333224 /nfs/dbraw/zinc/33/32/24/588333224.db2.gz JNRFOAATKCYKBV-OPRDCNLKSA-N 1 1 242.275 0.537 20 5 BCBDMO C[N@H+]1CC[C@H](CCOC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000847817422 588333226 /nfs/dbraw/zinc/33/32/26/588333226.db2.gz JNRFOAATKCYKBV-OPRDCNLKSA-N 1 1 242.275 0.537 20 5 BCBDMO C[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885945970 592113246 /nfs/dbraw/zinc/11/32/46/592113246.db2.gz AJTCEVLHMUXSLJ-UHFFFAOYSA-N 1 1 236.275 0.737 20 5 BCBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886094780 592147534 /nfs/dbraw/zinc/14/75/34/592147534.db2.gz YRMRRCCJEWCGJQ-WCBMZHEXSA-N 1 1 237.259 0.945 20 5 BCBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886094780 592147535 /nfs/dbraw/zinc/14/75/35/592147535.db2.gz YRMRRCCJEWCGJQ-WCBMZHEXSA-N 1 1 237.259 0.945 20 5 BCBDMO CO[C@@H]1CC[C@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000931474291 634494563 /nfs/dbraw/zinc/49/45/63/634494563.db2.gz LPUKLTIGUUUJNS-DTWKUNHWSA-N 1 1 202.254 0.762 20 5 BCBDMO C[C@@H]1C[C@H](CO)C[N@@H+](CC[N+](=O)[O-])C1 ZINC000930751398 634089490 /nfs/dbraw/zinc/08/94/90/634089490.db2.gz ZQVKGQVLVMBNSW-BDAKNGLRSA-N 1 1 202.254 0.213 20 5 BCBDMO COC(=O)C[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H]1C ZINC000932100141 635563324 /nfs/dbraw/zinc/56/33/24/635563324.db2.gz XWRRXSOCAYNQSS-RKDXNWHRSA-N 1 1 230.264 0.394 20 5 BCBDMO CC[N@H+]1CCCC[C@@H]1CNCC[N+](=O)[O-] ZINC000905105926 637614103 /nfs/dbraw/zinc/61/41/03/637614103.db2.gz MTXAETAPINVCCD-SNVBAGLBSA-N 1 1 215.297 0.727 20 5 BCBDMO CCN1CCCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905105926 637614107 /nfs/dbraw/zinc/61/41/07/637614107.db2.gz MTXAETAPINVCCD-SNVBAGLBSA-N 1 1 215.297 0.727 20 5 BCBDMO CC[C@@H](CN1CCCC1)[NH2+]CC[N+](=O)[O-] ZINC000905121263 637627379 /nfs/dbraw/zinc/62/73/79/637627379.db2.gz CCJPGERMUINWST-JTQLQIEISA-N 1 1 215.297 0.727 20 5 BCBDMO C[NH+](C)[C@@]1(CNCC[N+](=O)[O-])CCSC1 ZINC000905146157 637654022 /nfs/dbraw/zinc/65/40/22/637654022.db2.gz GVTKWPUXABSCNW-SECBINFHSA-N 1 1 233.337 0.290 20 5 BCBDMO COc1ccc(C[NH2+]CC[N+](=O)[O-])nc1 ZINC000905230964 637690032 /nfs/dbraw/zinc/69/00/32/637690032.db2.gz HTYMWFFOZIELKT-UHFFFAOYSA-N 1 1 211.221 0.457 20 5 BCBDMO CC(C)[N@@H+](C)C[C@H](C)NCC[N+](=O)[O-] ZINC000905261809 637715374 /nfs/dbraw/zinc/71/53/74/637715374.db2.gz RZVPYRLSMIENOO-VIFPVBQESA-N 1 1 203.286 0.581 20 5 BCBDMO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000905360388 637779275 /nfs/dbraw/zinc/77/92/75/637779275.db2.gz NCQRTEWEMNTDSS-SECBINFHSA-N 1 1 246.213 0.865 20 5 BCBDMO O=[N+]([O-])CC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000905360391 637779383 /nfs/dbraw/zinc/77/93/83/637779383.db2.gz NCQRTEWEMNTDSS-VIFPVBQESA-N 1 1 246.213 0.865 20 5 BCBDMO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000905342355 637782387 /nfs/dbraw/zinc/78/23/87/637782387.db2.gz AAASCNJGCHNYBF-UHNVWZDZSA-N 1 1 216.159 0.164 20 5 BCBDMO O=[N+]([O-])CC[NH2+]Cc1cccc2c1OCC2 ZINC000905615824 637868307 /nfs/dbraw/zinc/86/83/07/637868307.db2.gz DXACRNOTXCENCJ-UHFFFAOYSA-N 1 1 222.244 0.988 20 5 BCBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC[N+](=O)[O-] ZINC000930452125 639755588 /nfs/dbraw/zinc/75/55/88/639755588.db2.gz JZBBFSCKRFJXSR-OGBGREFGSA-N 1 1 226.276 0.618 20 5 BCBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930471827 639773649 /nfs/dbraw/zinc/77/36/49/639773649.db2.gz RKCNCUCVXOJCIO-SNVBAGLBSA-N 1 1 243.307 0.644 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000930533278 639803574 /nfs/dbraw/zinc/80/35/74/639803574.db2.gz YJNHGIURFIARFJ-VIFPVBQESA-N 1 1 210.237 0.407 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000930533278 639803577 /nfs/dbraw/zinc/80/35/77/639803577.db2.gz YJNHGIURFIARFJ-VIFPVBQESA-N 1 1 210.237 0.407 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000930623362 639828515 /nfs/dbraw/zinc/82/85/15/639828515.db2.gz QMYZMEAORXIWAQ-AXFHLTTASA-N 1 1 228.292 0.889 20 5 BCBDMO COC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930664224 639852966 /nfs/dbraw/zinc/85/29/66/639852966.db2.gz DVBHEWXMHNRXJA-SECBINFHSA-N 1 1 202.254 0.764 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](CCCO)C1 ZINC000930675912 639859146 /nfs/dbraw/zinc/85/91/46/639859146.db2.gz ROYYJSMNGWQABN-VIFPVBQESA-N 1 1 202.254 0.358 20 5 BCBDMO O=[N+]([O-])CC[N@@H+](C1CC1)C1(CO)CCC1 ZINC000930691808 639862700 /nfs/dbraw/zinc/86/27/00/639862700.db2.gz OUASGAPDVHZSCP-UHFFFAOYSA-N 1 1 214.265 0.643 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000930813816 639915918 /nfs/dbraw/zinc/91/59/18/639915918.db2.gz JPKZPDNZJQNFTO-BDAKNGLRSA-N 1 1 200.238 0.374 20 5 BCBDMO C[N@H+]1CCN(CC[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000930883499 639969559 /nfs/dbraw/zinc/96/95/59/639969559.db2.gz RLNRLTYNKGMDHW-SNVBAGLBSA-N 1 1 229.324 0.925 20 5 BCBDMO C[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@@]1(C)CO ZINC000931065042 640053163 /nfs/dbraw/zinc/05/31/63/640053163.db2.gz DZFSHNCPGBYFJR-BDAKNGLRSA-N 1 1 202.254 0.213 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000931059925 640047558 /nfs/dbraw/zinc/04/75/58/640047558.db2.gz PIDGWSGGUVXJPU-IUCAKERBSA-N 1 1 200.238 0.231 20 5 BCBDMO COC(=O)[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1C ZINC000931061478 640050305 /nfs/dbraw/zinc/05/03/05/640050305.db2.gz GUMNTEUGBLCQHV-DTWKUNHWSA-N 1 1 230.264 0.394 20 5 BCBDMO COC(=O)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1C ZINC000931061478 640050310 /nfs/dbraw/zinc/05/03/10/640050310.db2.gz GUMNTEUGBLCQHV-DTWKUNHWSA-N 1 1 230.264 0.394 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000931261208 640122983 /nfs/dbraw/zinc/12/29/83/640122983.db2.gz PWLUPCWZTOOVOU-VHSXEESVSA-N 1 1 214.265 0.358 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCCn2nccc21 ZINC000931569144 640278442 /nfs/dbraw/zinc/27/84/42/640278442.db2.gz HTCIMAVYVATYCK-MRVPVSSYSA-N 1 1 210.237 0.584 20 5 BCBDMO CC(C)(O)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931622368 640293427 /nfs/dbraw/zinc/29/34/27/640293427.db2.gz NGPXEBONYDVNIV-MRVPVSSYSA-N 1 1 202.254 0.356 20 5 BCBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CC[N+](=O)[O-] ZINC000931620843 640293558 /nfs/dbraw/zinc/29/35/58/640293558.db2.gz HSKCAILIBNMMPW-ZJUUUORDSA-N 1 1 213.281 0.432 20 5 BCBDMO O=[N+]([O-])CC[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932816671 640613132 /nfs/dbraw/zinc/61/31/32/640613132.db2.gz XXUZJRHLPJNOEQ-UHFFFAOYSA-N 1 1 228.292 0.890 20 5 BCBDMO C[N@H+]1CCC[C@H]1Cn1ccnc1[N+](=O)[O-] ZINC000918387929 642195633 /nfs/dbraw/zinc/19/56/33/642195633.db2.gz USPAJLHWXHJZFN-QMMMGPOBSA-N 1 1 210.237 0.886 20 5 BCBDMO C[N@H+]1CC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000928557140 645817357 /nfs/dbraw/zinc/81/73/57/645817357.db2.gz WORZRCBDBDKJDE-VIFPVBQESA-N 1 1 243.307 0.642 20 5 BCBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000928566080 645827916 /nfs/dbraw/zinc/82/79/16/645827916.db2.gz OEYDRYBSKPOVHG-SSDOTTSWSA-N 1 1 238.247 0.357 20 5 BCBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000928566080 645827920 /nfs/dbraw/zinc/82/79/20/645827920.db2.gz OEYDRYBSKPOVHG-SSDOTTSWSA-N 1 1 238.247 0.357 20 5 BCBDMO O=C(NC1CC[NH+](CC[N+](=O)[O-])CC1)C1CC1 ZINC000929268979 646048847 /nfs/dbraw/zinc/04/88/47/646048847.db2.gz JTOMEVZWZBJRMH-UHFFFAOYSA-N 1 1 241.291 0.254 20 5 BCBDMO C[NH+](C)CCC1CCN(CC[N+](=O)[O-])CC1 ZINC000929326016 646081282 /nfs/dbraw/zinc/08/12/82/646081282.db2.gz BCCGELGBLFGZDK-UHFFFAOYSA-N 1 1 229.324 0.927 20 5 BCBDMO CCOC(=O)CC[N@H+](C)CC[N+](=O)[O-] ZINC000929476489 646134482 /nfs/dbraw/zinc/13/44/82/646134482.db2.gz LKBUKETYTMWPDA-UHFFFAOYSA-N 1 1 204.226 0.148 20 5 BCBDMO CCOC(=O)CC[N@@H+](C)CC[N+](=O)[O-] ZINC000929476489 646134491 /nfs/dbraw/zinc/13/44/91/646134491.db2.gz LKBUKETYTMWPDA-UHFFFAOYSA-N 1 1 204.226 0.148 20 5 BCBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929686364 646244087 /nfs/dbraw/zinc/24/40/87/646244087.db2.gz UBMPWKKBEMAVFC-NXEZZACHSA-N 1 1 216.281 0.889 20 5 BCBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929686367 646244672 /nfs/dbraw/zinc/24/46/72/646244672.db2.gz UBMPWKKBEMAVFC-ZJUUUORDSA-N 1 1 216.281 0.889 20 5 BCBDMO C[N@H+](CCOCC1CC1)CC[N+](=O)[O-] ZINC000929822655 646338208 /nfs/dbraw/zinc/33/82/08/646338208.db2.gz GPVAAIVPQONWCC-UHFFFAOYSA-N 1 1 202.254 0.622 20 5 BCBDMO C[N@@H+](CCOCC1CC1)CC[N+](=O)[O-] ZINC000929822655 646338214 /nfs/dbraw/zinc/33/82/14/646338214.db2.gz GPVAAIVPQONWCC-UHFFFAOYSA-N 1 1 202.254 0.622 20 5 BCBDMO C[N@H+]1CCC[C@H]2CN(CC[N+](=O)[O-])CC[C@H]21 ZINC000929842408 646351294 /nfs/dbraw/zinc/35/12/94/646351294.db2.gz CUCXHSCTFPDBFI-WDEREUQCSA-N 1 1 227.308 0.679 20 5 BCBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[N+](=O)[O-] ZINC000930163687 646453742 /nfs/dbraw/zinc/45/37/42/646453742.db2.gz VAEZFCVXOYJVDK-RKDXNWHRSA-N 1 1 201.270 0.288 20 5 BCBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC[N+](=O)[O-] ZINC000930176915 646480106 /nfs/dbraw/zinc/48/01/06/646480106.db2.gz GYDLCICOQMWLOJ-DTWKUNHWSA-N 1 1 201.270 0.288 20 5 BCBDMO O=[N+]([O-])CC[NH2+]Cc1cccc2c1OCO2 ZINC000899872391 711803860 /nfs/dbraw/zinc/80/38/60/711803860.db2.gz AIVRYYFPTPQRJX-UHFFFAOYSA-N 1 1 224.216 0.782 20 5 BCBDMO C[N@H+]1CC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000712538966 712443351 /nfs/dbraw/zinc/44/33/51/712443351.db2.gz YGSKEEPAKHENLM-SSDOTTSWSA-N 1 1 237.263 0.688 20 5 BCBDMO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000719571363 712810889 /nfs/dbraw/zinc/81/08/89/712810889.db2.gz GTFKTSGVCGFRDA-VXNVDRBHSA-N 1 1 237.263 0.889 20 5 BCBDMO O=[N+]([O-])c1cnccc1NCC[NH+]1CCC1 ZINC000336695511 398195672 /nfs/dbraw/zinc/19/56/72/398195672.db2.gz YYAPXHMDSSYFLO-UHFFFAOYSA-N 1 1 222.248 0.529 20 5 BCBDMO CC[N@H+](CCCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602477104 342930972 /nfs/dbraw/zinc/93/09/72/342930972.db2.gz QBCVNZFTHZUBRB-UHFFFAOYSA-N 1 1 242.279 0.533 20 5 BCBDMO CC[N@@H+](CCCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602477104 342930973 /nfs/dbraw/zinc/93/09/73/342930973.db2.gz QBCVNZFTHZUBRB-UHFFFAOYSA-N 1 1 242.279 0.533 20 5 BCBDMO CO[C@@H](C)C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602651906 343886216 /nfs/dbraw/zinc/88/62/16/343886216.db2.gz AKHISTBQAUORDJ-QMMMGPOBSA-N 1 1 242.279 0.795 20 5 BCBDMO CO[C@@H](C)C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602651906 343886218 /nfs/dbraw/zinc/88/62/18/343886218.db2.gz AKHISTBQAUORDJ-QMMMGPOBSA-N 1 1 242.279 0.795 20 5 BCBDMO C[C@@H](CCO)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593107712 347860007 /nfs/dbraw/zinc/86/00/07/347860007.db2.gz NEMSPYNIRFWSBV-VIFPVBQESA-N 1 1 242.279 0.494 20 5 BCBDMO Cc1noc(C[N@@H+]2CC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000595341198 348225224 /nfs/dbraw/zinc/22/52/24/348225224.db2.gz DAYXXVUYBHIGKO-JTQLQIEISA-N 1 1 241.247 0.848 20 5 BCBDMO Cc1noc(C[N@H+]2CC[C@](C)(O)C2)c1[N+](=O)[O-] ZINC000595341198 348225231 /nfs/dbraw/zinc/22/52/31/348225231.db2.gz DAYXXVUYBHIGKO-JTQLQIEISA-N 1 1 241.247 0.848 20 5 BCBDMO O=C(C[NH2+]Cc1ccccc1[N+](=O)[O-])NC1CC1 ZINC000035142699 355852149 /nfs/dbraw/zinc/85/21/49/355852149.db2.gz WOEHHYRDSRVVII-UHFFFAOYSA-N 1 1 249.270 0.963 20 5 BCBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000048041298 181270917 /nfs/dbraw/zinc/27/09/17/181270917.db2.gz WIUJSRAIZBMEQS-SNVBAGLBSA-N 1 1 249.270 0.902 20 5 BCBDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000048036978 181283726 /nfs/dbraw/zinc/28/37/26/181283726.db2.gz NUHSMJVVIVHCHX-JTQLQIEISA-N 1 1 249.270 0.902 20 5 BCBDMO Cn1cc([N+](=O)[O-])cc1-c1nc(C[NH3+])no1 ZINC000578236269 366465541 /nfs/dbraw/zinc/46/55/41/366465541.db2.gz HKRPRCLVFOSXLV-UHFFFAOYSA-N 1 1 223.192 0.442 20 5 BCBDMO Cn1cc(C[N@H+](C)CCCO)c([N+](=O)[O-])n1 ZINC000602651731 371827897 /nfs/dbraw/zinc/82/78/97/371827897.db2.gz LADRAXHWSFFFJX-UHFFFAOYSA-N 1 1 228.252 0.143 20 5 BCBDMO Cn1cc(C[N@@H+](C)CCCO)c([N+](=O)[O-])n1 ZINC000602651731 371827899 /nfs/dbraw/zinc/82/78/99/371827899.db2.gz LADRAXHWSFFFJX-UHFFFAOYSA-N 1 1 228.252 0.143 20 5 BCBDMO CC[C@@H](CO)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831869 371845674 /nfs/dbraw/zinc/84/56/74/371845674.db2.gz KMXOGLZRYFJMGT-VIFPVBQESA-N 1 1 242.279 0.531 20 5 BCBDMO CC[C@@H](CO)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831869 371845679 /nfs/dbraw/zinc/84/56/79/371845679.db2.gz KMXOGLZRYFJMGT-VIFPVBQESA-N 1 1 242.279 0.531 20 5 BCBDMO O=C(NCC[NH+]1CCC1)c1ccc([N+](=O)[O-])o1 ZINC000337275615 182184291 /nfs/dbraw/zinc/18/42/91/182184291.db2.gz DUYJSXQTJGWSLB-UHFFFAOYSA-N 1 1 239.231 0.623 20 5 BCBDMO O=C1NCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050394711 384016004 /nfs/dbraw/zinc/01/60/04/384016004.db2.gz RQIDYCUUUGMFAF-JTQLQIEISA-N 1 1 249.270 0.963 20 5 BCBDMO C[N@@H+](C[C@H](O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000310426753 384165731 /nfs/dbraw/zinc/16/57/31/384165731.db2.gz MBESDKFSXQJUOI-VIFPVBQESA-N 1 1 240.263 0.246 20 5 BCBDMO C[N@H+]1CC[C@H](Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187655662 384166118 /nfs/dbraw/zinc/16/61/18/384166118.db2.gz BMYDVHOQJDTKIW-VIFPVBQESA-N 1 1 237.259 0.708 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCSCC2)c1 ZINC000157699233 384259857 /nfs/dbraw/zinc/25/98/57/384259857.db2.gz INVJICCWBQMBHK-UHFFFAOYSA-N 1 1 242.304 0.840 20 5 BCBDMO Cc1[nH]nc(C(=O)N(C)[C@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000269244071 387172351 /nfs/dbraw/zinc/17/23/51/387172351.db2.gz ZBGFDQKHZNBLDU-RXMQYKEDSA-N 1 1 241.251 0.046 20 5 BCBDMO Nc1cc(Cn2cnc([N+](=O)[O-])c2)cc[nH+]1 ZINC000052733031 387807935 /nfs/dbraw/zinc/80/79/35/387807935.db2.gz SVCSZYWLGLMOCE-UHFFFAOYSA-N 1 1 219.204 0.817 20 5 BCBDMO CN(CC[NH3+])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593726465 388239327 /nfs/dbraw/zinc/23/93/27/388239327.db2.gz JHFPXUZIAHQAAX-UHFFFAOYSA-N 1 1 225.248 0.691 20 5 BCBDMO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372431439 388260492 /nfs/dbraw/zinc/26/04/92/388260492.db2.gz MRWIULZVUVVFTR-JDDHQFAOSA-N 1 1 239.275 0.132 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000304492546 388359041 /nfs/dbraw/zinc/35/90/41/388359041.db2.gz MHDJXPYFPWVLJE-SECBINFHSA-N 1 1 240.263 0.106 20 5 BCBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000351951578 134016787 /nfs/dbraw/zinc/01/67/87/134016787.db2.gz LNHOCVWEZTXBLO-IUCAKERBSA-N 1 1 240.263 0.104 20 5 BCBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](C)O ZINC000352228995 134110859 /nfs/dbraw/zinc/11/08/59/134110859.db2.gz BURMXAFDCMQNTQ-VIFPVBQESA-N 1 1 242.279 0.494 20 5 BCBDMO C[C@@H]1C[N@H+](C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000408113610 134396280 /nfs/dbraw/zinc/39/62/80/134396280.db2.gz UCEAQMWIYWSYHZ-MRVPVSSYSA-N 1 1 239.279 0.469 20 5 BCBDMO C[C@@H]1C[N@@H+](C)CCN1c1c([N+](=O)[O-])ncn1C ZINC000408113610 134396281 /nfs/dbraw/zinc/39/62/81/134396281.db2.gz UCEAQMWIYWSYHZ-MRVPVSSYSA-N 1 1 239.279 0.469 20 5 BCBDMO C[N@H+]1CC[C@@H](Cn2cccc([N+](=O)[O-])c2=O)C1 ZINC000187684769 134476991 /nfs/dbraw/zinc/47/69/91/134476991.db2.gz DGZCSEZMRRISOH-SECBINFHSA-N 1 1 237.259 0.708 20 5 BCBDMO C[C@]1(O)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177985203 398102881 /nfs/dbraw/zinc/10/28/81/398102881.db2.gz QTYHHQIMXTXJNR-JTQLQIEISA-N 1 1 240.263 0.248 20 5 BCBDMO CCNC(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472368 170064647 /nfs/dbraw/zinc/06/46/47/170064647.db2.gz UBKCAVWOMRZBBY-UHFFFAOYSA-N 1 1 243.288 0.882 20 5 BCBDMO O=[N+]([O-])c1cnc(NCC[NH+]2CCC2)s1 ZINC000336649673 411685694 /nfs/dbraw/zinc/68/56/94/411685694.db2.gz GXSPYULVMWZIDD-UHFFFAOYSA-N 1 1 228.277 1.169 20 5 BCBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454701 173118020 /nfs/dbraw/zinc/11/80/20/173118020.db2.gz NHAQPXKYOHGAQD-QMMMGPOBSA-N 1 1 237.263 0.748 20 5 BCBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454698 173146304 /nfs/dbraw/zinc/14/63/04/173146304.db2.gz NHAQPXKYOHGAQD-MRVPVSSYSA-N 1 1 237.263 0.748 20 5 BCBDMO CNC(=O)C1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000353067938 173226775 /nfs/dbraw/zinc/22/67/75/173226775.db2.gz OGHZAZQXSZANTF-UHFFFAOYSA-N 1 1 249.270 0.773 20 5 BCBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000340886777 176382069 /nfs/dbraw/zinc/38/20/69/176382069.db2.gz DHVKEIXQJYJISO-RKDXNWHRSA-N 1 1 240.263 0.246 20 5 BCBDMO C[C@H]1C[C@@H](O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000340886773 177337815 /nfs/dbraw/zinc/33/78/15/177337815.db2.gz DHVKEIXQJYJISO-DTWKUNHWSA-N 1 1 240.263 0.246 20 5 BCBDMO CCC[N@@H+](CC)C[C@@H](C)NCC[N+](=O)[O-] ZINC000905263658 637717500 /nfs/dbraw/zinc/71/75/00/637717500.db2.gz ODPZWPGFLMPHHO-SNVBAGLBSA-N 1 1 217.313 0.973 20 5 BCBDMO C[C@@H](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])[NH+](C)C ZINC000855416874 588831985 /nfs/dbraw/zinc/83/19/85/588831985.db2.gz CBKFMAUICSGMKX-DJLDLDEBSA-N 1 1 229.280 0.108 20 5 BCBDMO COC[C@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000739868865 583370941 /nfs/dbraw/zinc/37/09/41/583370941.db2.gz GJTYIFWVDOJKJW-VIFPVBQESA-N 1 1 240.263 0.717 20 5 BCBDMO COC[C@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000739868865 583370942 /nfs/dbraw/zinc/37/09/42/583370942.db2.gz GJTYIFWVDOJKJW-VIFPVBQESA-N 1 1 240.263 0.717 20 5 BCBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNCC[N+](=O)[O-] ZINC000899890402 584245892 /nfs/dbraw/zinc/24/58/92/584245892.db2.gz BNBIZEIQQOYFKT-SECBINFHSA-N 1 1 215.297 0.726 20 5 BCBDMO CC(C)(C)N1CC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000899890402 584245894 /nfs/dbraw/zinc/24/58/94/584245894.db2.gz BNBIZEIQQOYFKT-SECBINFHSA-N 1 1 215.297 0.726 20 5 BCBDMO Cc1ccc(C[NH2+][C@H]2CNOC2)cc1[N+](=O)[O-] ZINC000904427055 584881415 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1 1 241.247 0.846 20 5 BCBDMO Cc1noc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1[N+](=O)[O-] ZINC000595400452 348238213 /nfs/dbraw/zinc/23/82/13/348238213.db2.gz LPWMPJSGBNNRKR-HTRCEHHLSA-N 1 1 241.247 0.846 20 5 BCBDMO C[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596049871 348432710 /nfs/dbraw/zinc/43/27/10/348432710.db2.gz JJIZBFDEFSTXSZ-UHFFFAOYSA-N 1 1 238.247 0.447 20 5 BCBDMO O=[N+]([O-])c1ccc(C[NH2+]C(CO)CO)c(F)c1 ZINC000383313049 352731178 /nfs/dbraw/zinc/73/11/78/352731178.db2.gz RCQVWZYFIFFYHW-UHFFFAOYSA-N 1 1 244.222 0.177 20 5 BCBDMO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O ZINC000352187652 134099759 /nfs/dbraw/zinc/09/97/59/134099759.db2.gz SVGJCMAVXNKTDP-MRVPVSSYSA-N 1 1 242.279 0.531 20 5 BCBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@@H](C)O ZINC000352187652 134099760 /nfs/dbraw/zinc/09/97/60/134099760.db2.gz SVGJCMAVXNKTDP-MRVPVSSYSA-N 1 1 242.279 0.531 20 5 BCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000174818678 134283539 /nfs/dbraw/zinc/28/35/39/134283539.db2.gz SNBFUUWQSJDSHU-UHFFFAOYSA-N 1 1 210.237 0.886 20 5 BCBDMO CC[C@@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000451158487 202364173 /nfs/dbraw/zinc/36/41/73/202364173.db2.gz ZCVMCSMLCKUIHW-VIFPVBQESA-N 1 1 242.279 0.494 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](F)C2)n1 ZINC000451187374 202373951 /nfs/dbraw/zinc/37/39/51/202373951.db2.gz NFPKWTWNOMEFGX-QMMMGPOBSA-N 1 1 228.227 0.835 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](F)C2)n1 ZINC000451187374 202373953 /nfs/dbraw/zinc/37/39/53/202373953.db2.gz NFPKWTWNOMEFGX-QMMMGPOBSA-N 1 1 228.227 0.835 20 5 BCBDMO Cn1cc(CN2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000602423023 371802618 /nfs/dbraw/zinc/80/26/18/371802618.db2.gz BONMLSAXBKDFAU-UHFFFAOYSA-N 1 1 239.279 0.076 20 5 BCBDMO CO[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602476934 371809961 /nfs/dbraw/zinc/80/99/61/371809961.db2.gz ZXWIMHAJCXRLNR-VIFPVBQESA-N 1 1 240.263 0.549 20 5 BCBDMO CO[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602476934 371809971 /nfs/dbraw/zinc/80/99/71/371809971.db2.gz ZXWIMHAJCXRLNR-VIFPVBQESA-N 1 1 240.263 0.549 20 5 BCBDMO Cn1cc(C[N@@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])n1 ZINC000602486957 371813595 /nfs/dbraw/zinc/81/35/95/371813595.db2.gz XCXNCNOKTXCMMV-SNVBAGLBSA-N 1 1 240.263 0.285 20 5 BCBDMO Cn1cc(C[N@H+]2CC[C@@](C)(O)C2)c([N+](=O)[O-])n1 ZINC000602486957 371813601 /nfs/dbraw/zinc/81/36/01/371813601.db2.gz XCXNCNOKTXCMMV-SNVBAGLBSA-N 1 1 240.263 0.285 20 5 BCBDMO C[C@@H](O)C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602607782 371825013 /nfs/dbraw/zinc/82/50/13/371825013.db2.gz MPFIAWAEZAVDBQ-SSDOTTSWSA-N 1 1 228.252 0.141 20 5 BCBDMO C[C@@H](O)C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602607782 371825018 /nfs/dbraw/zinc/82/50/18/371825018.db2.gz MPFIAWAEZAVDBQ-SSDOTTSWSA-N 1 1 228.252 0.141 20 5 BCBDMO C[C@H](CO)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602655937 371827943 /nfs/dbraw/zinc/82/79/43/371827943.db2.gz IORDDXWXBYKCAO-SSDOTTSWSA-N 1 1 228.252 0.141 20 5 BCBDMO C[C@H](CO)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602655937 371827946 /nfs/dbraw/zinc/82/79/46/371827946.db2.gz IORDDXWXBYKCAO-SSDOTTSWSA-N 1 1 228.252 0.141 20 5 BCBDMO CCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075674802 169078431 /nfs/dbraw/zinc/07/84/31/169078431.db2.gz XCVSAKZJWKJGLF-JTQLQIEISA-N 1 1 242.279 0.494 20 5 BCBDMO C[C@@]1(O)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177977052 383993497 /nfs/dbraw/zinc/99/34/97/383993497.db2.gz XPDMTQVADNQOHF-SNVBAGLBSA-N 1 1 240.263 0.248 20 5 BCBDMO C[N@H+]1CC[C@H](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187678949 384375451 /nfs/dbraw/zinc/37/54/51/384375451.db2.gz UTUDUBDEQGGELE-QMMMGPOBSA-N 1 1 210.237 0.743 20 5 BCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000179198821 384642340 /nfs/dbraw/zinc/64/23/40/384642340.db2.gz XNWXWYBRPDXGIL-UHFFFAOYSA-N 1 1 237.259 0.851 20 5 BCBDMO C[N@H+](CCC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000286575237 385172480 /nfs/dbraw/zinc/17/24/80/385172480.db2.gz UVQJZUQJATYAEP-UHFFFAOYSA-N 1 1 243.288 0.964 20 5 BCBDMO C[N@@H+](CCC(N)=O)Cc1csc([N+](=O)[O-])c1 ZINC000286575237 385172495 /nfs/dbraw/zinc/17/24/95/385172495.db2.gz UVQJZUQJATYAEP-UHFFFAOYSA-N 1 1 243.288 0.964 20 5 BCBDMO Nc1cc(Cn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000052732044 385857756 /nfs/dbraw/zinc/85/77/56/385857756.db2.gz SUMFXNOIKJJADW-UHFFFAOYSA-N 1 1 219.204 0.817 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCCC1 ZINC000355795405 385848742 /nfs/dbraw/zinc/84/87/42/385848742.db2.gz PAUODGSMSSJGDF-UHFFFAOYSA-N 1 1 210.237 0.924 20 5 BCBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000093092006 386617682 /nfs/dbraw/zinc/61/76/82/386617682.db2.gz KYMLLTWYRAKBNG-PHIMTYICSA-N 1 1 238.243 0.132 20 5 BCBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000093092006 386617690 /nfs/dbraw/zinc/61/76/90/386617690.db2.gz KYMLLTWYRAKBNG-PHIMTYICSA-N 1 1 238.243 0.132 20 5 BCBDMO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372431438 388260386 /nfs/dbraw/zinc/26/03/86/388260386.db2.gz MRWIULZVUVVFTR-CVPUBMOQSA-N 1 1 239.275 0.132 20 5 BCBDMO O=C1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1 ZINC000054638773 388512174 /nfs/dbraw/zinc/51/21/74/388512174.db2.gz MOKJWQGJRISBAL-UHFFFAOYSA-N 1 1 249.270 0.917 20 5 BCBDMO O=C1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1 ZINC000054638773 388512178 /nfs/dbraw/zinc/51/21/78/388512178.db2.gz MOKJWQGJRISBAL-UHFFFAOYSA-N 1 1 249.270 0.917 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](CO)C2)n1 ZINC000177026543 134293545 /nfs/dbraw/zinc/29/35/45/134293545.db2.gz ACTRXVMXGZCORB-VIFPVBQESA-N 1 1 240.263 0.106 20 5 BCBDMO C[C@H](O)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000177026996 397840502 /nfs/dbraw/zinc/84/05/02/397840502.db2.gz ZZKDEHMJCSUTDE-QMMMGPOBSA-N 1 1 228.252 0.104 20 5 BCBDMO CCOCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000093312572 170390069 /nfs/dbraw/zinc/39/00/69/170390069.db2.gz VQYAPNWTKJWLGY-UHFFFAOYSA-N 1 1 242.279 0.760 20 5 BCBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000278729637 173199354 /nfs/dbraw/zinc/19/93/54/173199354.db2.gz KUQRDSSZBZZHQA-AOOOYVTPSA-N 1 1 248.286 0.988 20 5 BCBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000340909872 176383397 /nfs/dbraw/zinc/38/33/97/176383397.db2.gz NZGUNFWLKTYDPA-HTQZYQBOSA-N 1 1 240.263 0.283 20 5 BCBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000340909872 176383399 /nfs/dbraw/zinc/38/33/99/176383399.db2.gz NZGUNFWLKTYDPA-HTQZYQBOSA-N 1 1 240.263 0.283 20 5 BCBDMO C[C@H]1C[C@@H](O)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000340906166 177337223 /nfs/dbraw/zinc/33/72/23/177337223.db2.gz KQWJTCSBJZROAM-WCBMZHEXSA-N 1 1 240.263 0.246 20 5 BCBDMO CCc1[nH]nc(-c2nc(C[NH3+])no2)c1[N+](=O)[O-] ZINC000570718141 323068269 /nfs/dbraw/zinc/06/82/69/323068269.db2.gz PTDGKHYGXNOHJJ-UHFFFAOYSA-N 1 1 238.207 0.389 20 5 BCBDMO CC[NH+]1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891392764 582676593 /nfs/dbraw/zinc/67/65/93/582676593.db2.gz JDZUTTAPSSQQNN-UHFFFAOYSA-N 1 1 239.279 0.470 20 5 BCBDMO C[C@@H]1[C@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1C ZINC000895734679 583717310 /nfs/dbraw/zinc/71/73/10/583717310.db2.gz PRBUFDJXDKFONR-HTQZYQBOSA-N 1 1 239.279 0.833 20 5 BCBDMO Cc1nn(C)c(C)c1C[NH2+]CC[N+](=O)[O-] ZINC000899875529 584245445 /nfs/dbraw/zinc/24/54/45/584245445.db2.gz HCIPRJHQHUOOQK-UHFFFAOYSA-N 1 1 212.253 0.403 20 5 BCBDMO CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839525736 585105675 /nfs/dbraw/zinc/10/56/75/585105675.db2.gz YWRYULPCRSIPTN-NXEZZACHSA-N 1 1 243.307 0.498 20 5 BCBDMO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839525736 585105676 /nfs/dbraw/zinc/10/56/76/585105676.db2.gz YWRYULPCRSIPTN-NXEZZACHSA-N 1 1 243.307 0.498 20 5 BCBDMO CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839525736 585105677 /nfs/dbraw/zinc/10/56/77/585105677.db2.gz YWRYULPCRSIPTN-NXEZZACHSA-N 1 1 243.307 0.498 20 5 BCBDMO C[C@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000839639647 585335124 /nfs/dbraw/zinc/33/51/24/585335124.db2.gz BYZYXFMRZWTRCK-SZEHBUNVSA-N 1 1 241.291 0.251 20 5 BCBDMO C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000839639647 585335125 /nfs/dbraw/zinc/33/51/25/585335125.db2.gz BYZYXFMRZWTRCK-SZEHBUNVSA-N 1 1 241.291 0.251 20 5 BCBDMO C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000839639647 585335126 /nfs/dbraw/zinc/33/51/26/585335126.db2.gz BYZYXFMRZWTRCK-SZEHBUNVSA-N 1 1 241.291 0.251 20 5 BCBDMO C[NH+](C)CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839754519 585340459 /nfs/dbraw/zinc/34/04/59/585340459.db2.gz QYFIZVVGMRXWEG-RKDXNWHRSA-N 1 1 241.291 0.252 20 5 BCBDMO C[NH+](C)CC1CCN(CC[N+](=O)[O-])CC1 ZINC000787706460 585914382 /nfs/dbraw/zinc/91/43/82/585914382.db2.gz AWCBVQFYYXQIQS-UHFFFAOYSA-N 1 1 215.297 0.537 20 5 BCBDMO COC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791051422 585972830 /nfs/dbraw/zinc/97/28/30/585972830.db2.gz CTKPWNODOGXKAN-VIFPVBQESA-N 1 1 202.254 0.622 20 5 BCBDMO O=C1CCCN1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791053555 585973119 /nfs/dbraw/zinc/97/31/19/585973119.db2.gz UDQIDTKEBPVNCG-UHFFFAOYSA-N 1 1 241.291 0.350 20 5 BCBDMO Cc1noc([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000791053527 585973150 /nfs/dbraw/zinc/97/31/50/585973150.db2.gz SWXUBQAWTRNCDX-VIFPVBQESA-N 1 1 240.263 0.834 20 5 BCBDMO Cc1noc([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000791053527 585973151 /nfs/dbraw/zinc/97/31/51/585973151.db2.gz SWXUBQAWTRNCDX-VIFPVBQESA-N 1 1 240.263 0.834 20 5 BCBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791053759 585973362 /nfs/dbraw/zinc/97/33/62/585973362.db2.gz GHENQUCUQWOIKI-BDAKNGLRSA-N 1 1 202.254 0.498 20 5 BCBDMO CCOC(=O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791054273 585973423 /nfs/dbraw/zinc/97/34/23/585973423.db2.gz SOGLXTCAUMOBQB-SECBINFHSA-N 1 1 230.264 0.538 20 5 BCBDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054273 585973424 /nfs/dbraw/zinc/97/34/24/585973424.db2.gz SOGLXTCAUMOBQB-SECBINFHSA-N 1 1 230.264 0.538 20 5 BCBDMO C[NH+](C)CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819892880 587001355 /nfs/dbraw/zinc/00/13/55/587001355.db2.gz NTYKTBZXPXCYRZ-UHFFFAOYSA-N 1 1 238.247 0.677 20 5 BCBDMO O=C(OCC[NH+]1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840672552 587915916 /nfs/dbraw/zinc/91/59/16/587915916.db2.gz BEKRUPXCUUPOMV-NXEZZACHSA-N 1 1 242.275 0.681 20 5 BCBDMO C[NH2+]CCN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000846220137 588260731 /nfs/dbraw/zinc/26/07/31/588260731.db2.gz DAFKMUOVEKGSPW-UHFFFAOYSA-N 1 1 239.275 0.952 20 5 BCBDMO CN(C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870852687 589691626 /nfs/dbraw/zinc/69/16/26/589691626.db2.gz KTWVNNPQXCGFQL-LLVKDONJSA-N 1 1 237.259 0.857 20 5 BCBDMO CN(C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870852688 589691650 /nfs/dbraw/zinc/69/16/50/589691650.db2.gz KTWVNNPQXCGFQL-NSHDSACASA-N 1 1 237.259 0.857 20 5 BCBDMO Cn1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000877649573 590384123 /nfs/dbraw/zinc/38/41/23/590384123.db2.gz BDPYYZBLTQCCLO-OCAPTIKFSA-N 1 1 222.248 0.780 20 5 BCBDMO Cn1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000877649573 590384126 /nfs/dbraw/zinc/38/41/26/590384126.db2.gz BDPYYZBLTQCCLO-OCAPTIKFSA-N 1 1 222.248 0.780 20 5 BCBDMO C[N@@H+](CCO)CCNc1cccnc1[N+](=O)[O-] ZINC000884823743 592022461 /nfs/dbraw/zinc/02/24/61/592022461.db2.gz CKEIZBGBQKEHQQ-UHFFFAOYSA-N 1 1 240.263 0.326 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000885944469 592112702 /nfs/dbraw/zinc/11/27/02/592112702.db2.gz QPAGQCOBHOTMFN-SNVBAGLBSA-N 1 1 237.259 0.947 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000885944469 592112705 /nfs/dbraw/zinc/11/27/05/592112705.db2.gz QPAGQCOBHOTMFN-SNVBAGLBSA-N 1 1 237.259 0.947 20 5 BCBDMO CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064694 631324552 /nfs/dbraw/zinc/32/45/52/631324552.db2.gz KZTVFOBBBJJVTM-UTINFBMNSA-N 1 1 241.291 0.297 20 5 BCBDMO C[N@H+](C[C@@H]1CCOC1)Cn1nccc1[N+](=O)[O-] ZINC000176098285 631564320 /nfs/dbraw/zinc/56/43/20/631564320.db2.gz ZMXZAPLLSMJKPJ-VIFPVBQESA-N 1 1 240.263 0.717 20 5 BCBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1nccc1[N+](=O)[O-] ZINC000176098285 631564327 /nfs/dbraw/zinc/56/43/27/631564327.db2.gz ZMXZAPLLSMJKPJ-VIFPVBQESA-N 1 1 240.263 0.717 20 5 BCBDMO C[C@H]1C[C@H](CO)C[N@@H+](CC[N+](=O)[O-])C1 ZINC000930751400 634089456 /nfs/dbraw/zinc/08/94/56/634089456.db2.gz ZQVKGQVLVMBNSW-IUCAKERBSA-N 1 1 202.254 0.213 20 5 BCBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000905039532 637559912 /nfs/dbraw/zinc/55/99/12/637559912.db2.gz UKACQYPSCRHYLG-UHFFFAOYSA-N 1 1 247.258 0.634 20 5 BCBDMO O=[N+]([O-])CCN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000905047737 637566871 /nfs/dbraw/zinc/56/68/71/637566871.db2.gz VWYOQLOMVGJETN-NXEZZACHSA-N 1 1 213.281 0.480 20 5 BCBDMO COc1cc(C[NH2+]CC[N+](=O)[O-])ccn1 ZINC000905029390 637576448 /nfs/dbraw/zinc/57/64/48/637576448.db2.gz AMLLXAKIQHCYRO-UHFFFAOYSA-N 1 1 211.221 0.457 20 5 BCBDMO CCn1nc(C)c(C[NH2+]CC[N+](=O)[O-])c1C ZINC000905090482 637587477 /nfs/dbraw/zinc/58/74/77/637587477.db2.gz WAVNJXJYYFMDOB-UHFFFAOYSA-N 1 1 226.280 0.886 20 5 BCBDMO O=[N+]([O-])CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000905065679 637598667 /nfs/dbraw/zinc/59/86/67/637598667.db2.gz KASXKBLBQLIYEH-UHFFFAOYSA-N 1 1 225.204 0.961 20 5 BCBDMO C[NH+](C)[C@]1(CNCC[N+](=O)[O-])CCSC1 ZINC000905146158 637653770 /nfs/dbraw/zinc/65/37/70/637653770.db2.gz GVTKWPUXABSCNW-VIFPVBQESA-N 1 1 233.337 0.290 20 5 BCBDMO CCc1nn(C)c(CC)c1C[NH2+]CC[N+](=O)[O-] ZINC000905186234 637668158 /nfs/dbraw/zinc/66/81/58/637668158.db2.gz GCFOUPOCDKFXOF-UHFFFAOYSA-N 1 1 240.307 0.911 20 5 BCBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC[N+](=O)[O-] ZINC000905161257 637673529 /nfs/dbraw/zinc/67/35/29/637673529.db2.gz WHFZFWHHZKYZES-WPRPVWTQSA-N 1 1 213.281 0.335 20 5 BCBDMO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[N+](=O)[O-] ZINC000905161257 637673535 /nfs/dbraw/zinc/67/35/35/637673535.db2.gz WHFZFWHHZKYZES-WPRPVWTQSA-N 1 1 213.281 0.335 20 5 BCBDMO COc1ccc(C[NH2+]CC[N+](=O)[O-])cc1O ZINC000905173395 637683112 /nfs/dbraw/zinc/68/31/12/637683112.db2.gz GXFQRWNRIOHWTC-UHFFFAOYSA-N 1 1 226.232 0.767 20 5 BCBDMO O=[N+]([O-])CC[NH2+]Cc1ccccc1CO ZINC000905340153 637782775 /nfs/dbraw/zinc/78/27/75/637782775.db2.gz FDQDGTSORGBPFT-UHFFFAOYSA-N 1 1 210.233 0.545 20 5 BCBDMO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000905342353 637783215 /nfs/dbraw/zinc/78/32/15/637783215.db2.gz AAASCNJGCHNYBF-CRCLSJGQSA-N 1 1 216.159 0.164 20 5 BCBDMO Cn1nc(C2CC2)cc1C[NH2+]CC[N+](=O)[O-] ZINC000905617005 637868499 /nfs/dbraw/zinc/86/84/99/637868499.db2.gz CBKODUIGXCNTOV-UHFFFAOYSA-N 1 1 224.264 0.664 20 5 BCBDMO CC1(C)CC[N@@H+](CCNCC[N+](=O)[O-])C1 ZINC000905679654 637886630 /nfs/dbraw/zinc/88/66/30/637886630.db2.gz QUJKXFIPIATKFJ-UHFFFAOYSA-N 1 1 215.297 0.585 20 5 BCBDMO CC1(C)CCN(CC[NH2+]CC[N+](=O)[O-])C1 ZINC000905679654 637886637 /nfs/dbraw/zinc/88/66/37/637886637.db2.gz QUJKXFIPIATKFJ-UHFFFAOYSA-N 1 1 215.297 0.585 20 5 BCBDMO CCCC[N@@H+](CCCO)CC[N+](=O)[O-] ZINC000930235887 639645584 /nfs/dbraw/zinc/64/55/84/639645584.db2.gz HXNSUHVMUFVEFY-UHFFFAOYSA-N 1 1 204.270 0.748 20 5 BCBDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930267016 639670574 /nfs/dbraw/zinc/67/05/74/639670574.db2.gz FDDRRLOGDINXGP-NXEZZACHSA-N 1 1 216.281 0.889 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000930366756 639732714 /nfs/dbraw/zinc/73/27/14/639732714.db2.gz YMLNDMPVVMUDLU-NXEZZACHSA-N 1 1 214.265 0.907 20 5 BCBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CC[N+](=O)[O-] ZINC000930452123 639756837 /nfs/dbraw/zinc/75/68/37/639756837.db2.gz JZBBFSCKRFJXSR-LADJIXMOSA-N 1 1 226.276 0.618 20 5 BCBDMO C[N@H+]1CCC[C@]2(CCN(CC[N+](=O)[O-])C2)C1 ZINC000930576749 639813013 /nfs/dbraw/zinc/81/30/13/639813013.db2.gz MTPYLDDBNQGFEF-NSHDSACASA-N 1 1 227.308 0.681 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000930623363 639828015 /nfs/dbraw/zinc/82/80/15/639828015.db2.gz QMYZMEAORXIWAQ-GMTAPVOTSA-N 1 1 228.292 0.889 20 5 BCBDMO CO[C@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1C ZINC000930634849 639834117 /nfs/dbraw/zinc/83/41/17/639834117.db2.gz OQEDJDAOWZKAMT-IUCAKERBSA-N 1 1 202.254 0.620 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000930693011 639864511 /nfs/dbraw/zinc/86/45/11/639864511.db2.gz POBDLXCYCMYTEX-VIFPVBQESA-N 1 1 214.265 0.643 20 5 BCBDMO COC(=O)[C@@]1(C)CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930735873 639885643 /nfs/dbraw/zinc/88/56/43/639885643.db2.gz CCIQLSDCYCCWJR-JTQLQIEISA-N 1 1 230.264 0.538 20 5 BCBDMO C[C@H]1[C@@H](CO)CCC[N@H+]1CC[N+](=O)[O-] ZINC000930740855 639890539 /nfs/dbraw/zinc/89/05/39/639890539.db2.gz WSYCKJYQTNRIQP-DTWKUNHWSA-N 1 1 202.254 0.356 20 5 BCBDMO CC[N@@H+](CC[N+](=O)[O-])[C@H]1CCCOC1 ZINC000930852733 639924911 /nfs/dbraw/zinc/92/49/11/639924911.db2.gz MNKOTECJLQSHBH-VIFPVBQESA-N 1 1 202.254 0.764 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000930866042 639958280 /nfs/dbraw/zinc/95/82/80/639958280.db2.gz HWGKKRREUIASBQ-ZETCQYMHSA-N 1 1 206.192 0.994 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1CO ZINC000930866574 639960205 /nfs/dbraw/zinc/96/02/05/639960205.db2.gz DANZLQHFASKMPB-SECBINFHSA-N 1 1 202.254 0.500 20 5 BCBDMO C[C@@]12COC[C@@H]1C[N@@H+](CC[N+](=O)[O-])C2 ZINC000931021615 640027093 /nfs/dbraw/zinc/02/70/93/640027093.db2.gz ZUGSCRWKQKZVSL-DTWKUNHWSA-N 1 1 200.238 0.231 20 5 BCBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@H]1CO ZINC000931102861 640066731 /nfs/dbraw/zinc/06/67/31/640066731.db2.gz HYVOYOZXLHPZPA-IUCAKERBSA-N 1 1 202.254 0.213 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000931256557 640117789 /nfs/dbraw/zinc/11/77/89/640117789.db2.gz IWWUCUYJYHKJQL-CEFVDNRUSA-N 1 1 232.305 0.249 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000931256557 640117795 /nfs/dbraw/zinc/11/77/95/640117795.db2.gz IWWUCUYJYHKJQL-CEFVDNRUSA-N 1 1 232.305 0.249 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000931549644 640270983 /nfs/dbraw/zinc/27/09/83/640270983.db2.gz NYJFKOMYWJBCFU-BDAKNGLRSA-N 1 1 216.306 0.948 20 5 BCBDMO Cn1c[nH+]cc1CCn1ccnc1[N+](=O)[O-] ZINC000918379192 642192200 /nfs/dbraw/zinc/19/22/00/642192200.db2.gz WFDUXVQKNKWYOV-UHFFFAOYSA-N 1 1 221.220 0.768 20 5 BCBDMO CCC[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031660380 642506877 /nfs/dbraw/zinc/50/68/77/642506877.db2.gz HESXHTULEDLKJR-NXEZZACHSA-N 1 1 241.291 0.110 20 5 BCBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000928573478 645833622 /nfs/dbraw/zinc/83/36/22/645833622.db2.gz PCHWSMXNBBKGGW-SSDOTTSWSA-N 1 1 239.231 0.622 20 5 BCBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000928573478 645833625 /nfs/dbraw/zinc/83/36/25/645833625.db2.gz PCHWSMXNBBKGGW-SSDOTTSWSA-N 1 1 239.231 0.622 20 5 BCBDMO C[N@H+]1CCC[C@@H]2CN(CC[N+](=O)[O-])CC[C@H]21 ZINC000929842402 646351251 /nfs/dbraw/zinc/35/12/51/646351251.db2.gz CUCXHSCTFPDBFI-GHMZBOCLSA-N 1 1 227.308 0.679 20 5 BCBDMO CCOCCO[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000930068848 646419123 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ZINC000332687894 180176077 /nfs/dbraw/zinc/17/60/77/180176077.db2.gz LAHVTCSSUGWFTB-UHFFFAOYSA-N 1 1 221.220 0.882 20 5 BCBDMO Cc1[nH+]ccn1CCn1nccc1[N+](=O)[O-] ZINC000270967815 180266345 /nfs/dbraw/zinc/26/63/45/180266345.db2.gz SJHFQOCLHVKZGH-UHFFFAOYSA-N 1 1 221.220 0.996 20 5 BCBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000048027103 181270850 /nfs/dbraw/zinc/27/08/50/181270850.db2.gz PTNUIXDSJOABNI-SNVBAGLBSA-N 1 1 249.270 0.902 20 5 BCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCO)CC2 ZINC000034416171 356702425 /nfs/dbraw/zinc/70/24/25/356702425.db2.gz YLVXOXVJMJJMNB-UHFFFAOYSA-N 1 1 222.244 0.945 20 5 BCBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCO)CC2 ZINC000034416171 356702427 /nfs/dbraw/zinc/70/24/27/356702427.db2.gz YLVXOXVJMJJMNB-UHFFFAOYSA-N 1 1 222.244 0.945 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](F)C2)c1 ZINC000451182287 202370171 /nfs/dbraw/zinc/37/01/71/202370171.db2.gz GTHGPJOFKGJSNN-QMMMGPOBSA-N 1 1 228.227 0.835 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](F)C2)c1 ZINC000451182287 202370174 /nfs/dbraw/zinc/37/01/74/202370174.db2.gz GTHGPJOFKGJSNN-QMMMGPOBSA-N 1 1 228.227 0.835 20 5 BCBDMO [NH3+]CC(F)(F)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000162602288 181358256 /nfs/dbraw/zinc/35/82/56/181358256.db2.gz UUUSIMMSEJBKLM-UHFFFAOYSA-N 1 1 248.189 0.247 20 5 BCBDMO CCC[NH2+]CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000581368870 367399967 /nfs/dbraw/zinc/39/99/67/367399967.db2.gz OBTMIYRHHOTNNO-UHFFFAOYSA-N 1 1 241.251 0.047 20 5 BCBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351808706 371661999 /nfs/dbraw/zinc/66/19/99/371661999.db2.gz KGUYTYPZRMZPCZ-WPRPVWTQSA-N 1 1 240.263 0.104 20 5 BCBDMO Cn1cc(C[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000602428147 371802638 /nfs/dbraw/zinc/80/26/38/371802638.db2.gz GLVCHJDGABEQDK-SECBINFHSA-N 1 1 240.263 0.285 20 5 BCBDMO Cn1cc(C[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])n1 ZINC000602428147 371802643 /nfs/dbraw/zinc/80/26/43/371802643.db2.gz GLVCHJDGABEQDK-SECBINFHSA-N 1 1 240.263 0.285 20 5 BCBDMO C[C@H](O)C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602607784 371824203 /nfs/dbraw/zinc/82/42/03/371824203.db2.gz MPFIAWAEZAVDBQ-ZETCQYMHSA-N 1 1 228.252 0.141 20 5 BCBDMO C[C@H](O)C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602607784 371824209 /nfs/dbraw/zinc/82/42/09/371824209.db2.gz MPFIAWAEZAVDBQ-ZETCQYMHSA-N 1 1 228.252 0.141 20 5 BCBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2COC[C@H]2O)cs1 ZINC000134222763 372182894 /nfs/dbraw/zinc/18/28/94/372182894.db2.gz TXKOPMKKNXKLGI-JGVFFNPUSA-N 1 1 244.272 0.506 20 5 BCBDMO COC[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000234875001 384680301 /nfs/dbraw/zinc/68/03/01/384680301.db2.gz ZSDHWIDVUSVXKX-MRVPVSSYSA-N 1 1 246.288 0.753 20 5 BCBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)CO ZINC000292214714 386634372 /nfs/dbraw/zinc/63/43/72/386634372.db2.gz OPHGOWKHTDGNEP-SECBINFHSA-N 1 1 242.279 0.494 20 5 BCBDMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092311 386613233 /nfs/dbraw/zinc/61/32/33/386613233.db2.gz SOHGLWYWKKOCTM-PHIMTYICSA-N 1 1 238.243 0.132 20 5 BCBDMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093092311 386613241 /nfs/dbraw/zinc/61/32/41/386613241.db2.gz SOHGLWYWKKOCTM-PHIMTYICSA-N 1 1 238.243 0.132 20 5 BCBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)CO ZINC000293440842 386818053 /nfs/dbraw/zinc/81/80/53/386818053.db2.gz OPHGOWKHTDGNEP-VIFPVBQESA-N 1 1 242.279 0.494 20 5 BCBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOC1 ZINC000267095943 386812956 /nfs/dbraw/zinc/81/29/56/386812956.db2.gz RMWUBLXXYRDREI-SECBINFHSA-N 1 1 240.263 0.512 20 5 BCBDMO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372431440 387298835 /nfs/dbraw/zinc/29/88/35/387298835.db2.gz MRWIULZVUVVFTR-SVSWQMSJSA-N 1 1 239.275 0.132 20 5 BCBDMO CC[N@@H+](CCOC)CCn1cc([N+](=O)[O-])cn1 ZINC000347354399 387834017 /nfs/dbraw/zinc/83/40/17/387834017.db2.gz RXPSTVABYFCCTC-UHFFFAOYSA-N 1 1 242.279 0.760 20 5 BCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372904987 388084514 /nfs/dbraw/zinc/08/45/14/388084514.db2.gz OTGDQXVNWKJPPA-UTINFBMNSA-N 1 1 239.275 0.005 20 5 BCBDMO C[C@@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000305458914 388369617 /nfs/dbraw/zinc/36/96/17/388369617.db2.gz UUPMSYKIEPKDQO-QMMMGPOBSA-N 1 1 228.252 0.104 20 5 BCBDMO CC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299270453 388551119 /nfs/dbraw/zinc/55/11/19/388551119.db2.gz IZJXZQFTUPOLOE-UHFFFAOYSA-N 1 1 240.263 0.604 20 5 BCBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374478660 388715332 /nfs/dbraw/zinc/71/53/32/388715332.db2.gz CSDLMDARRWQHQM-KATARQTJSA-N 1 1 239.275 0.005 20 5 BCBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000351951576 134016764 /nfs/dbraw/zinc/01/67/64/134016764.db2.gz LNHOCVWEZTXBLO-BDAKNGLRSA-N 1 1 240.263 0.104 20 5 BCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000364787166 172330310 /nfs/dbraw/zinc/33/03/10/172330310.db2.gz BDTRGRYVRJQGGC-IVZWLZJFSA-N 1 1 241.291 0.252 20 5 BCBDMO C[C@H]1C[C@H](O)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000340906174 177373227 /nfs/dbraw/zinc/37/32/27/177373227.db2.gz KQWJTCSBJZROAM-WPRPVWTQSA-N 1 1 240.263 0.246 20 5 BCBDMO C[C@H]([NH3+])C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000567925668 326284170 /nfs/dbraw/zinc/28/41/70/326284170.db2.gz QUCJKTQHCVBJRE-WDSKDSINSA-N 1 1 241.251 0.174 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000791051380 583383664 /nfs/dbraw/zinc/38/36/64/583383664.db2.gz CEWKCQNHXLIKRD-VIFPVBQESA-N 1 1 224.264 0.866 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000791051380 583383665 /nfs/dbraw/zinc/38/36/65/583383665.db2.gz CEWKCQNHXLIKRD-VIFPVBQESA-N 1 1 224.264 0.866 20 5 BCBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1Cc2c[nH+]cn2C1 ZINC000894997680 583566601 /nfs/dbraw/zinc/56/66/01/583566601.db2.gz XXXGRWUWVVFMCH-ZETCQYMHSA-N 1 1 248.246 0.562 20 5 BCBDMO C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1C ZINC000895734681 583717114 /nfs/dbraw/zinc/71/71/14/583717114.db2.gz PRBUFDJXDKFONR-SFYZADRCSA-N 1 1 239.279 0.833 20 5 BCBDMO O=[N+]([O-])CC[NH2+]C[C@H](O)c1ccco1 ZINC000899871246 584244766 /nfs/dbraw/zinc/24/47/66/584244766.db2.gz QSGDIMSSRONXCS-ZETCQYMHSA-N 1 1 200.194 0.179 20 5 BCBDMO O=[N+]([O-])CC[NH+]1CC([C@H]2CCOC2)C1 ZINC000899883492 584246704 /nfs/dbraw/zinc/24/67/04/584246704.db2.gz NTCZCMCKQDVQCU-QMMMGPOBSA-N 1 1 200.238 0.231 20 5 BCBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839632595 585333253 /nfs/dbraw/zinc/33/32/53/585333253.db2.gz XAMUNRICHXXAON-OPRDCNLKSA-N 1 1 243.307 0.498 20 5 BCBDMO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839632595 585333254 /nfs/dbraw/zinc/33/32/54/585333254.db2.gz XAMUNRICHXXAON-OPRDCNLKSA-N 1 1 243.307 0.498 20 5 BCBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839632595 585333255 /nfs/dbraw/zinc/33/32/55/585333255.db2.gz XAMUNRICHXXAON-OPRDCNLKSA-N 1 1 243.307 0.498 20 5 BCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2C[C@H]21 ZINC000761716227 585418167 /nfs/dbraw/zinc/41/81/67/585418167.db2.gz ZIWZEHTZIWOGNN-GXSJLCMTSA-N 1 1 249.270 0.851 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000791051960 585972374 /nfs/dbraw/zinc/97/23/74/585972374.db2.gz ISOXNZQGYRACGP-DTWKUNHWSA-N 1 1 232.305 0.469 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000791051963 585972492 /nfs/dbraw/zinc/97/24/92/585972492.db2.gz ISOXNZQGYRACGP-RKDXNWHRSA-N 1 1 232.305 0.469 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000791052407 585972528 /nfs/dbraw/zinc/97/25/28/585972528.db2.gz NBVMHELPVAHYDU-VIFPVBQESA-N 1 1 200.238 0.376 20 5 BCBDMO CCC[N@@H+](C)C[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000791052413 585972551 /nfs/dbraw/zinc/97/25/51/585972551.db2.gz NFVDJVHOHORPBG-NSHDSACASA-N 1 1 229.324 0.927 20 5 BCBDMO COC(=O)CC[N@@H+](CC[N+](=O)[O-])CC(C)C ZINC000791051608 585972927 /nfs/dbraw/zinc/97/29/27/585972927.db2.gz GMSGUSKRUAFJBG-UHFFFAOYSA-N 1 1 232.280 0.784 20 5 BCBDMO C[N@H+](CCc1ccncc1)CC[N+](=O)[O-] ZINC000791054665 585973028 /nfs/dbraw/zinc/97/30/28/585973028.db2.gz NMPKBPPETBVKFM-UHFFFAOYSA-N 1 1 209.249 0.833 20 5 BCBDMO C[N@@H+](CCc1ccncc1)CC[N+](=O)[O-] ZINC000791054665 585973029 /nfs/dbraw/zinc/97/30/29/585973029.db2.gz NMPKBPPETBVKFM-UHFFFAOYSA-N 1 1 209.249 0.833 20 5 BCBDMO CC[N@@H+](C)C[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000791053101 585973108 /nfs/dbraw/zinc/97/31/08/585973108.db2.gz SJCUZGDNMCADDA-JTQLQIEISA-N 1 1 215.297 0.537 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000791053884 585973232 /nfs/dbraw/zinc/97/32/32/585973232.db2.gz JOZGMEICASRHFV-MRVPVSSYSA-N 1 1 204.270 0.602 20 5 BCBDMO C[NH2+]Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000843232781 588094470 /nfs/dbraw/zinc/09/44/70/588094470.db2.gz COAHQOHYTSBHQX-UHFFFAOYSA-N 1 1 228.252 0.777 20 5 BCBDMO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872785334 589970637 /nfs/dbraw/zinc/97/06/37/589970637.db2.gz PMTKJXXIMVNBBC-DTORHVGOSA-N 1 1 238.247 0.327 20 5 BCBDMO O=[N+]([O-])c1ccnn1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872785334 589970638 /nfs/dbraw/zinc/97/06/38/589970638.db2.gz PMTKJXXIMVNBBC-DTORHVGOSA-N 1 1 238.247 0.327 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](CO)C1 ZINC000886019251 592132997 /nfs/dbraw/zinc/13/29/97/592132997.db2.gz PGZPMCHCTRDPIG-VIFPVBQESA-N 1 1 237.259 0.804 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000886019251 592133000 /nfs/dbraw/zinc/13/30/00/592133000.db2.gz PGZPMCHCTRDPIG-VIFPVBQESA-N 1 1 237.259 0.804 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000886159891 592165772 /nfs/dbraw/zinc/16/57/72/592165772.db2.gz FFPPROXPHOVBGC-CMPLNLGQSA-N 1 1 249.270 0.804 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000886159891 592165774 /nfs/dbraw/zinc/16/57/74/592165774.db2.gz FFPPROXPHOVBGC-CMPLNLGQSA-N 1 1 249.270 0.804 20 5 BCBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886345066 592212827 /nfs/dbraw/zinc/21/28/27/592212827.db2.gz RANSACYAABXZND-AOOOYVTPSA-N 1 1 249.270 0.708 20 5 BCBDMO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000931339441 634363676 /nfs/dbraw/zinc/36/36/76/634363676.db2.gz XTZRZCRDZHXASN-JTQLQIEISA-N 1 1 229.280 0.254 20 5 BCBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000931339441 634363680 /nfs/dbraw/zinc/36/36/80/634363680.db2.gz XTZRZCRDZHXASN-JTQLQIEISA-N 1 1 229.280 0.254 20 5 BCBDMO CNC(=O)c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905033681 637554243 /nfs/dbraw/zinc/55/42/43/637554243.db2.gz GWBDXYGCQMLADR-UHFFFAOYSA-N 1 1 237.259 0.413 20 5 BCBDMO O=[N+]([O-])CCN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000905047740 637566855 /nfs/dbraw/zinc/56/68/55/637566855.db2.gz VWYOQLOMVGJETN-ZJUUUORDSA-N 1 1 213.281 0.480 20 5 BCBDMO O=C1C[C@@H]([NH2+]CC[N+](=O)[O-])CN1c1ccccc1 ZINC000905063977 637599504 /nfs/dbraw/zinc/59/95/04/637599504.db2.gz FNBDUNWBFPIQEJ-SNVBAGLBSA-N 1 1 249.270 0.658 20 5 BCBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCC[N+](=O)[O-] ZINC000905068358 637600911 /nfs/dbraw/zinc/60/09/11/637600911.db2.gz OICRNGPPZYBPHD-GHMZBOCLSA-N 1 1 229.324 0.973 20 5 BCBDMO CC[N@H+]1CCCC[C@H]1CNCC[N+](=O)[O-] ZINC000905105924 637613049 /nfs/dbraw/zinc/61/30/49/637613049.db2.gz MTXAETAPINVCCD-JTQLQIEISA-N 1 1 215.297 0.727 20 5 BCBDMO CCN1CCCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905105924 637613057 /nfs/dbraw/zinc/61/30/57/637613057.db2.gz MTXAETAPINVCCD-JTQLQIEISA-N 1 1 215.297 0.727 20 5 BCBDMO CCCC[N@@H+](C)CCNCC[N+](=O)[O-] ZINC000905109149 637616236 /nfs/dbraw/zinc/61/62/36/637616236.db2.gz IGXUEZQIYWMNSX-UHFFFAOYSA-N 1 1 203.286 0.585 20 5 BCBDMO CCCCN(C)CC[NH2+]CC[N+](=O)[O-] ZINC000905109149 637616247 /nfs/dbraw/zinc/61/62/47/637616247.db2.gz IGXUEZQIYWMNSX-UHFFFAOYSA-N 1 1 203.286 0.585 20 5 BCBDMO C[N@@H+](CCNCC[N+](=O)[O-])C1CCCC1 ZINC000905092979 637632215 /nfs/dbraw/zinc/63/22/15/637632215.db2.gz HSUAAAGYIWUYLY-UHFFFAOYSA-N 1 1 215.297 0.727 20 5 BCBDMO C[C@H]1C[C@H](NCC[N+](=O)[O-])CC[N@H+]1C ZINC000905141000 637649516 /nfs/dbraw/zinc/64/95/16/637649516.db2.gz XEAVINMZPHWFQC-DTWKUNHWSA-N 1 1 201.270 0.335 20 5 BCBDMO O=[N+]([O-])CCNC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000905229353 637690213 /nfs/dbraw/zinc/69/02/13/637690213.db2.gz BFYOFWFTZNKHBC-LLVKDONJSA-N 1 1 227.308 0.870 20 5 BCBDMO O=[N+]([O-])CCNC[C@H]1CCCC[N@H+]1C1CC1 ZINC000905229353 637690215 /nfs/dbraw/zinc/69/02/15/637690215.db2.gz BFYOFWFTZNKHBC-LLVKDONJSA-N 1 1 227.308 0.870 20 5 BCBDMO COC(=O)c1ccc(C[NH2+]CC[N+](=O)[O-])s1 ZINC000905287329 637739533 /nfs/dbraw/zinc/73/95/33/637739533.db2.gz CAUJGXIPAASILL-UHFFFAOYSA-N 1 1 244.272 0.901 20 5 BCBDMO C[C@@H](O)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905380419 637782152 /nfs/dbraw/zinc/78/21/52/637782152.db2.gz GFASEQCFFQFMAW-KOLCDFICSA-N 1 1 224.260 0.975 20 5 BCBDMO C[C@@]1(O)CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000930279237 639679013 /nfs/dbraw/zinc/67/90/13/639679013.db2.gz LTTRJDKTMQVGDX-SECBINFHSA-N 1 1 202.254 0.500 20 5 BCBDMO CN(C)CC[N@H+](C)CCCN(C)CC[N+](=O)[O-] ZINC000930500467 639785254 /nfs/dbraw/zinc/78/52/54/639785254.db2.gz SYFHXNKZYDSKDT-UHFFFAOYSA-N 1 1 246.355 0.078 20 5 BCBDMO CN(C)CC[N@@H+](C)CCCN(C)CC[N+](=O)[O-] ZINC000930500467 639785264 /nfs/dbraw/zinc/78/52/64/639785264.db2.gz SYFHXNKZYDSKDT-UHFFFAOYSA-N 1 1 246.355 0.078 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000930533275 639803896 /nfs/dbraw/zinc/80/38/96/639803896.db2.gz YJNHGIURFIARFJ-SECBINFHSA-N 1 1 210.237 0.407 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000930533275 639803900 /nfs/dbraw/zinc/80/39/00/639803900.db2.gz YJNHGIURFIARFJ-SECBINFHSA-N 1 1 210.237 0.407 20 5 BCBDMO CN(C)C(=O)OC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930583634 639814651 /nfs/dbraw/zinc/81/46/51/639814651.db2.gz UIEFDIFAVXLKKA-UHFFFAOYSA-N 1 1 245.279 0.426 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000930600844 639816795 /nfs/dbraw/zinc/81/67/95/639816795.db2.gz NXQRJNVHJSZKHN-LLVKDONJSA-N 1 1 243.307 0.060 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000930600844 639816796 /nfs/dbraw/zinc/81/67/96/639816796.db2.gz NXQRJNVHJSZKHN-LLVKDONJSA-N 1 1 243.307 0.060 20 5 BCBDMO O=[N+]([O-])CCN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000930600844 639816798 /nfs/dbraw/zinc/81/67/98/639816798.db2.gz NXQRJNVHJSZKHN-LLVKDONJSA-N 1 1 243.307 0.060 20 5 BCBDMO CC(C)[N@H+]1CC[C@@H](N(C)CC[N+](=O)[O-])C1 ZINC000930672129 639856759 /nfs/dbraw/zinc/85/67/59/639856759.db2.gz GVJSOHNVEODZOC-SNVBAGLBSA-N 1 1 215.297 0.678 20 5 BCBDMO C[C@]12COC[C@@H]1C[N@@H+](CC[N+](=O)[O-])C2 ZINC000931021616 640026664 /nfs/dbraw/zinc/02/66/64/640026664.db2.gz ZUGSCRWKQKZVSL-IUCAKERBSA-N 1 1 200.238 0.231 20 5 BCBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931065258 640041450 /nfs/dbraw/zinc/04/14/50/640041450.db2.gz MNXQPCDRSZMTPH-JTQLQIEISA-N 1 1 243.307 0.500 20 5 BCBDMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1CO ZINC000931102863 640066833 /nfs/dbraw/zinc/06/68/33/640066833.db2.gz HYVOYOZXLHPZPA-RKDXNWHRSA-N 1 1 202.254 0.213 20 5 BCBDMO NC(=O)[C@@H](C1CC1)[N@H+](CC[N+](=O)[O-])CC1CC1 ZINC000931532020 640261549 /nfs/dbraw/zinc/26/15/49/640261549.db2.gz LGGSWXZLHLTJTK-SNVBAGLBSA-N 1 1 241.291 0.239 20 5 BCBDMO NC(=O)[C@@H](C1CC1)[N@@H+](CC[N+](=O)[O-])CC1CC1 ZINC000931532020 640261558 /nfs/dbraw/zinc/26/15/58/640261558.db2.gz LGGSWXZLHLTJTK-SNVBAGLBSA-N 1 1 241.291 0.239 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000931549645 640269399 /nfs/dbraw/zinc/26/93/99/640269399.db2.gz NYJFKOMYWJBCFU-DTWKUNHWSA-N 1 1 216.306 0.948 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000931549646 640270061 /nfs/dbraw/zinc/27/00/61/640270061.db2.gz NYJFKOMYWJBCFU-IUCAKERBSA-N 1 1 216.306 0.948 20 5 BCBDMO CC1(C)C[C@@H](O)C[N@@H+](CC[N+](=O)[O-])C1 ZINC000931552168 640270890 /nfs/dbraw/zinc/27/08/90/640270890.db2.gz UADVSZOXAVXGBC-MRVPVSSYSA-N 1 1 202.254 0.356 20 5 BCBDMO CN1CC[N@H+](CC[N+](=O)[O-])Cc2cccnc21 ZINC000931568712 640277250 /nfs/dbraw/zinc/27/72/50/640277250.db2.gz AVQCAXMBFHARBG-UHFFFAOYSA-N 1 1 236.275 0.610 20 5 BCBDMO CN1CC[N@@H+](CC[N+](=O)[O-])Cc2cccnc21 ZINC000931568712 640277261 /nfs/dbraw/zinc/27/72/61/640277261.db2.gz AVQCAXMBFHARBG-UHFFFAOYSA-N 1 1 236.275 0.610 20 5 BCBDMO O=C1N[C@@H](C2CC[NH+](CC[N+](=O)[O-])CC2)CO1 ZINC000932769915 640607548 /nfs/dbraw/zinc/60/75/48/640607548.db2.gz LIDXCAYQMPHHBK-SECBINFHSA-N 1 1 243.263 0.084 20 5 BCBDMO CCO[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929678205 641393342 /nfs/dbraw/zinc/39/33/42/641393342.db2.gz HLDGWYJPNGUQLP-SECBINFHSA-N 1 1 202.254 0.764 20 5 BCBDMO Cn1c[nH+]cc1Cn1ccnc1[N+](=O)[O-] ZINC000918370595 642192011 /nfs/dbraw/zinc/19/20/11/642192011.db2.gz XXFNUHWOKWXXQQ-UHFFFAOYSA-N 1 1 207.193 0.573 20 5 BCBDMO C[N@H+](CC[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000929505972 646157876 /nfs/dbraw/zinc/15/78/76/646157876.db2.gz XAKPCXIDKAOXJQ-NSHDSACASA-N 1 1 224.260 0.929 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000929505972 646157879 /nfs/dbraw/zinc/15/78/79/646157879.db2.gz XAKPCXIDKAOXJQ-NSHDSACASA-N 1 1 224.260 0.929 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000929527205 646173210 /nfs/dbraw/zinc/17/32/10/646173210.db2.gz HNIBWVUTBISMSM-JTQLQIEISA-N 1 1 224.264 0.797 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](CCO)C1 ZINC000929529360 646173836 /nfs/dbraw/zinc/17/38/36/646173836.db2.gz SEJPNEXIKBAEKJ-SECBINFHSA-N 1 1 202.254 0.358 20 5 BCBDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929594945 646191060 /nfs/dbraw/zinc/19/10/60/646191060.db2.gz KRARSPJDAIKJPF-IUCAKERBSA-N 1 1 202.254 0.498 20 5 BCBDMO O=C1CCCN1[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929622982 646206599 /nfs/dbraw/zinc/20/65/99/646206599.db2.gz UAPCKSXGARAJAL-JTQLQIEISA-N 1 1 241.291 0.350 20 5 BCBDMO O=C1CCCN1[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929622982 646206601 /nfs/dbraw/zinc/20/66/01/646206601.db2.gz UAPCKSXGARAJAL-JTQLQIEISA-N 1 1 241.291 0.350 20 5 BCBDMO COC(=O)C[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000930057212 646414766 /nfs/dbraw/zinc/41/47/66/646414766.db2.gz BHRSQWYAKGHXHD-QMMMGPOBSA-N 1 1 216.237 0.291 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000930077988 646422329 /nfs/dbraw/zinc/42/23/29/646422329.db2.gz WYBPJSVNKNZGCA-JTQLQIEISA-N 1 1 239.279 0.267 20 5 BCBDMO Cn1ccnc1[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930093837 646432088 /nfs/dbraw/zinc/43/20/88/646432088.db2.gz NEFWSJPAYIALJM-VIFPVBQESA-N 1 1 224.264 0.486 20 5 BCBDMO C[C@]1(CCCO)CCC[N@H+]1CC[N+](=O)[O-] ZINC000930157526 646452334 /nfs/dbraw/zinc/45/23/34/646452334.db2.gz GAPHMZACISOCFX-SNVBAGLBSA-N 1 1 216.281 0.890 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000930590685 712713046 /nfs/dbraw/zinc/71/30/46/712713046.db2.gz WSYJFQKNYZGZOK-SECBINFHSA-N 1 1 202.254 0.358 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000931005743 711706533 /nfs/dbraw/zinc/70/65/33/711706533.db2.gz JRXRSPRAPWWRSF-SNVBAGLBSA-N 1 1 239.279 0.582 20 5 BCBDMO C[N@H+]1CC[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000712590576 712435552 /nfs/dbraw/zinc/43/55/52/712435552.db2.gz CQUCOXIKPDEMNE-SSDOTTSWSA-N 1 1 238.247 0.811 20 5 BCBDMO CC[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000712595518 712436329 /nfs/dbraw/zinc/43/63/29/712436329.db2.gz QQNLMBDPXOLMAY-QMMMGPOBSA-N 1 1 237.263 0.891 20 5 BCBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])CC[C@H]1O ZINC000930250773 712615626 /nfs/dbraw/zinc/61/56/26/712615626.db2.gz QWGSTCFKKCORDG-MRVPVSSYSA-N 1 1 202.254 0.356 20 5 BCBDMO Cc1cc([N+](=O)[O-])cn(Cc2[nH+]ccn2C)c1=O ZINC000127169749 178274524 /nfs/dbraw/zinc/27/45/24/178274524.db2.gz WOLUTGASOVNIPZ-UHFFFAOYSA-N 1 1 248.242 0.847 20 5 BCBDMO CC[N@@H+](C)C[C@H](O)Cn1nc([N+](=O)[O-])cc1C ZINC000380217122 343694940 /nfs/dbraw/zinc/69/49/40/343694940.db2.gz VJVUNYUWNFKJMO-VIFPVBQESA-N 1 1 242.279 0.412 20 5 BCBDMO Cc1noc(CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000595286061 348212518 /nfs/dbraw/zinc/21/25/18/348212518.db2.gz BMVVFKTYNSCPEH-UHFFFAOYSA-N 1 1 240.263 0.639 20 5 BCBDMO Cc1noc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000595406586 348240710 /nfs/dbraw/zinc/24/07/10/348240710.db2.gz DPDREQADZNEIDG-HTRCEHHLSA-N 1 1 241.247 0.704 20 5 BCBDMO Cc1noc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000595406586 348240711 /nfs/dbraw/zinc/24/07/11/348240711.db2.gz DPDREQADZNEIDG-HTRCEHHLSA-N 1 1 241.247 0.704 20 5 BCBDMO Cc1[nH+]ccn1Cc1c([N+](=O)[O-])ncn1C ZINC000332728468 180267737 /nfs/dbraw/zinc/26/77/37/180267737.db2.gz SXRLFGUCUHRXKY-UHFFFAOYSA-N 1 1 221.220 0.882 20 5 BCBDMO C[N@H+]1CC[C@@H](Cn2nccc2[N+](=O)[O-])C1 ZINC000191094363 357749585 /nfs/dbraw/zinc/74/95/85/357749585.db2.gz XOYRELGMCXSHOE-MRVPVSSYSA-N 1 1 210.237 0.743 20 5 BCBDMO [NH3+]C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430938733 259500595 /nfs/dbraw/zinc/50/05/95/259500595.db2.gz CTXIHBUIAHOHLO-SECBINFHSA-N 1 1 239.279 0.072 20 5 BCBDMO Cn1cc(C[N@@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602450872 371805038 /nfs/dbraw/zinc/80/50/38/371805038.db2.gz BTVZISGLTBVOGN-QMMMGPOBSA-N 1 1 240.263 0.143 20 5 BCBDMO Cn1cc(C[N@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602450872 371805049 /nfs/dbraw/zinc/80/50/49/371805049.db2.gz BTVZISGLTBVOGN-QMMMGPOBSA-N 1 1 240.263 0.143 20 5 BCBDMO CCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075674804 169079579 /nfs/dbraw/zinc/07/95/79/169079579.db2.gz XCVSAKZJWKJGLF-SNVBAGLBSA-N 1 1 242.279 0.494 20 5 BCBDMO CCC[N@H+](CCO)Cc1c([N+](=O)[O-])ncn1C ZINC000355790402 169164874 /nfs/dbraw/zinc/16/48/74/169164874.db2.gz FWEBIXAHKSULST-UHFFFAOYSA-N 1 1 242.279 0.533 20 5 BCBDMO CCC[N@@H+](CCO)Cc1c([N+](=O)[O-])ncn1C ZINC000355790402 169164877 /nfs/dbraw/zinc/16/48/77/169164877.db2.gz FWEBIXAHKSULST-UHFFFAOYSA-N 1 1 242.279 0.533 20 5 BCBDMO O=[N+]([O-])c1cnn(CCC[NH+]2CCOCC2)c1 ZINC000149247879 385028362 /nfs/dbraw/zinc/02/83/62/385028362.db2.gz QWSGAJZXDFDPIZ-UHFFFAOYSA-N 1 1 240.263 0.514 20 5 BCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H](C)O ZINC000051837526 385947558 /nfs/dbraw/zinc/94/75/58/385947558.db2.gz PFNLHGGMZCPNRP-MRVPVSSYSA-N 1 1 242.279 0.412 20 5 BCBDMO C[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192760553 387431229 /nfs/dbraw/zinc/43/12/29/387431229.db2.gz VWRSLZFWFVYSSK-UHFFFAOYSA-N 1 1 236.275 0.929 20 5 BCBDMO C[N@@H+](CCC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353187426 388368786 /nfs/dbraw/zinc/36/87/86/388368786.db2.gz WXUDYUPOPIAIBL-UHFFFAOYSA-N 1 1 237.259 0.902 20 5 BCBDMO O=[N+]([O-])c1cn(CCC[NH+]2CCOCC2)cn1 ZINC000195337271 388467833 /nfs/dbraw/zinc/46/78/33/388467833.db2.gz QATNVFBGUOCMLZ-UHFFFAOYSA-N 1 1 240.263 0.514 20 5 BCBDMO O=[N+]([O-])c1ccnn1CCC[NH+]1CCOCC1 ZINC000195337638 388468296 /nfs/dbraw/zinc/46/82/96/388468296.db2.gz ONQIKMXFSUJAIJ-UHFFFAOYSA-N 1 1 240.263 0.514 20 5 BCBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173531922 388424161 /nfs/dbraw/zinc/42/41/61/388424161.db2.gz WFAQZVYJAPPOHN-SNVBAGLBSA-N 1 1 240.263 0.246 20 5 BCBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374478661 388715058 /nfs/dbraw/zinc/71/50/58/388715058.db2.gz CSDLMDARRWQHQM-RGOKHQFPSA-N 1 1 239.275 0.005 20 5 BCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCO ZINC000049633650 411241904 /nfs/dbraw/zinc/24/19/04/411241904.db2.gz BTMTYNLABJAJKZ-UHFFFAOYSA-N 1 1 228.252 0.024 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C)C1 ZINC000037647703 173146685 /nfs/dbraw/zinc/14/66/85/173146685.db2.gz RLDZWZHEMRZFFG-MRVPVSSYSA-N 1 1 239.279 0.692 20 5 BCBDMO C[C@H](C[C@H](C)[NH3+])NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000567925665 326284191 /nfs/dbraw/zinc/28/41/91/326284191.db2.gz QUCJKTQHCVBJRE-NTSWFWBYSA-N 1 1 241.251 0.174 20 5 BCBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1C ZINC000892007430 582760732 /nfs/dbraw/zinc/76/07/32/582760732.db2.gz IYZYJSSUOKMMHC-MRVPVSSYSA-N 1 1 239.279 0.834 20 5 BCBDMO COC[C@@H]1CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000739868863 583370651 /nfs/dbraw/zinc/37/06/51/583370651.db2.gz GJTYIFWVDOJKJW-SECBINFHSA-N 1 1 240.263 0.717 20 5 BCBDMO COC[C@@H]1CC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000739868863 583370652 /nfs/dbraw/zinc/37/06/52/583370652.db2.gz GJTYIFWVDOJKJW-SECBINFHSA-N 1 1 240.263 0.717 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC=C[C@@H]2CO)n1 ZINC000880485601 583544391 /nfs/dbraw/zinc/54/43/91/583544391.db2.gz DVWACEHHLGDGRW-SECBINFHSA-N 1 1 238.247 0.024 20 5 BCBDMO CC(C)C[N@H+]1CCO[C@@H](CNCC[N+](=O)[O-])C1 ZINC000899875786 584245051 /nfs/dbraw/zinc/24/50/51/584245051.db2.gz IJBGTJCXSMVSLV-NSHDSACASA-N 1 1 245.323 0.210 20 5 BCBDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839475994 585105137 /nfs/dbraw/zinc/10/51/37/585105137.db2.gz DSLXOIBVXCGICO-IVZWLZJFSA-N 1 1 241.291 0.252 20 5 BCBDMO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839475994 585105138 /nfs/dbraw/zinc/10/51/38/585105138.db2.gz DSLXOIBVXCGICO-IVZWLZJFSA-N 1 1 241.291 0.252 20 5 BCBDMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839475994 585105139 /nfs/dbraw/zinc/10/51/39/585105139.db2.gz DSLXOIBVXCGICO-IVZWLZJFSA-N 1 1 241.291 0.252 20 5 BCBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839578463 585330927 /nfs/dbraw/zinc/33/09/27/585330927.db2.gz ZZZPASIPVCHPBB-FXBDTBDDSA-N 1 1 239.275 0.005 20 5 BCBDMO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839578463 585330928 /nfs/dbraw/zinc/33/09/28/585330928.db2.gz ZZZPASIPVCHPBB-FXBDTBDDSA-N 1 1 239.275 0.005 20 5 BCBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839578463 585330929 /nfs/dbraw/zinc/33/09/29/585330929.db2.gz ZZZPASIPVCHPBB-FXBDTBDDSA-N 1 1 239.275 0.005 20 5 BCBDMO C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839621678 585332448 /nfs/dbraw/zinc/33/24/48/585332448.db2.gz IVMTWEIGZXYABT-NXEZZACHSA-N 1 1 241.291 0.110 20 5 BCBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000839624262 585332783 /nfs/dbraw/zinc/33/27/83/585332783.db2.gz DYOBILSEOWBDFR-NXEZZACHSA-N 1 1 241.291 0.252 20 5 BCBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839624262 585332784 /nfs/dbraw/zinc/33/27/84/585332784.db2.gz DYOBILSEOWBDFR-NXEZZACHSA-N 1 1 241.291 0.252 20 5 BCBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839624262 585332785 /nfs/dbraw/zinc/33/27/85/585332785.db2.gz DYOBILSEOWBDFR-NXEZZACHSA-N 1 1 241.291 0.252 20 5 BCBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000839690473 585335217 /nfs/dbraw/zinc/33/52/17/585335217.db2.gz ILCKBTGJQZBWFX-IVZWLZJFSA-N 1 1 241.291 0.204 20 5 BCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000839690473 585335218 /nfs/dbraw/zinc/33/52/18/585335218.db2.gz ILCKBTGJQZBWFX-IVZWLZJFSA-N 1 1 241.291 0.204 20 5 BCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000839690473 585335219 /nfs/dbraw/zinc/33/52/19/585335219.db2.gz ILCKBTGJQZBWFX-IVZWLZJFSA-N 1 1 241.291 0.204 20 5 BCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839728325 585338888 /nfs/dbraw/zinc/33/88/88/585338888.db2.gz MXZCIMWFWLMLCH-NXEZZACHSA-N 1 1 241.291 0.204 20 5 BCBDMO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839728325 585338889 /nfs/dbraw/zinc/33/88/89/585338889.db2.gz MXZCIMWFWLMLCH-NXEZZACHSA-N 1 1 241.291 0.204 20 5 BCBDMO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839728325 585338890 /nfs/dbraw/zinc/33/88/90/585338890.db2.gz MXZCIMWFWLMLCH-NXEZZACHSA-N 1 1 241.291 0.204 20 5 BCBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000839778003 585341352 /nfs/dbraw/zinc/34/13/52/585341352.db2.gz LUFOWNDUNRYSPX-UTINFBMNSA-N 1 1 241.291 0.203 20 5 BCBDMO CCOC(=O)[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000791054276 585972983 /nfs/dbraw/zinc/97/29/83/585972983.db2.gz SOGLXTCAUMOBQB-VIFPVBQESA-N 1 1 230.264 0.538 20 5 BCBDMO CCOC(=O)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791054276 585972984 /nfs/dbraw/zinc/97/29/84/585972984.db2.gz SOGLXTCAUMOBQB-VIFPVBQESA-N 1 1 230.264 0.538 20 5 BCBDMO C[C@@H]1[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1C ZINC000845822598 588246699 /nfs/dbraw/zinc/24/66/99/588246699.db2.gz YRJYLHXSSOKBJA-UTINFBMNSA-N 1 1 242.275 0.535 20 5 BCBDMO C[C@@H]1[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1C ZINC000845822598 588246700 /nfs/dbraw/zinc/24/67/00/588246700.db2.gz YRJYLHXSSOKBJA-UTINFBMNSA-N 1 1 242.275 0.535 20 5 BCBDMO C[C@@H]1[C@H](COC(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1C ZINC000845822598 588246701 /nfs/dbraw/zinc/24/67/01/588246701.db2.gz YRJYLHXSSOKBJA-UTINFBMNSA-N 1 1 242.275 0.535 20 5 BCBDMO CC[C@@H](C[NH+](C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870546776 589673276 /nfs/dbraw/zinc/67/32/76/589673276.db2.gz DWBJWNDLZJDPFQ-DJLDLDEBSA-N 1 1 230.264 0.535 20 5 BCBDMO CC(C)[C@@H](C[NH+](C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870565524 589676412 /nfs/dbraw/zinc/67/64/12/589676412.db2.gz VJNCJGATPSCKDD-OPRDCNLKSA-N 1 1 244.291 0.781 20 5 BCBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cn1 ZINC000884823809 592022585 /nfs/dbraw/zinc/02/25/85/592022585.db2.gz GAUSHPDAVDZUTE-UHFFFAOYSA-N 1 1 240.263 0.326 20 5 BCBDMO C[N@@H+](CCO)CCNc1ccsc1[N+](=O)[O-] ZINC000884823811 592022772 /nfs/dbraw/zinc/02/27/72/592022772.db2.gz GBUPXQKXCJWERI-UHFFFAOYSA-N 1 1 245.304 0.992 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](O)C1 ZINC000885944468 592112957 /nfs/dbraw/zinc/11/29/57/592112957.db2.gz QPAGQCOBHOTMFN-JTQLQIEISA-N 1 1 237.259 0.947 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000885944468 592112960 /nfs/dbraw/zinc/11/29/60/592112960.db2.gz QPAGQCOBHOTMFN-JTQLQIEISA-N 1 1 237.259 0.947 20 5 BCBDMO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886094779 592147176 /nfs/dbraw/zinc/14/71/76/592147176.db2.gz YRMRRCCJEWCGJQ-SCZZXKLOSA-N 1 1 237.259 0.945 20 5 BCBDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886094779 592147178 /nfs/dbraw/zinc/14/71/78/592147178.db2.gz YRMRRCCJEWCGJQ-SCZZXKLOSA-N 1 1 237.259 0.945 20 5 BCBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886094781 592147720 /nfs/dbraw/zinc/14/77/20/592147720.db2.gz YRMRRCCJEWCGJQ-WPRPVWTQSA-N 1 1 237.259 0.945 20 5 BCBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886094781 592147723 /nfs/dbraw/zinc/14/77/23/592147723.db2.gz YRMRRCCJEWCGJQ-WPRPVWTQSA-N 1 1 237.259 0.945 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886335910 592211808 /nfs/dbraw/zinc/21/18/08/592211808.db2.gz KANOWKDXVNTEBA-DTORHVGOSA-N 1 1 222.248 0.743 20 5 BCBDMO C[N@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000176100384 631513280 /nfs/dbraw/zinc/51/32/80/631513280.db2.gz YURSZBWKQXGENL-VIFPVBQESA-N 1 1 240.263 0.717 20 5 BCBDMO C[N@@H+](C[C@@H]1CCOC1)Cn1cc([N+](=O)[O-])cn1 ZINC000176100384 631513291 /nfs/dbraw/zinc/51/32/91/631513291.db2.gz YURSZBWKQXGENL-VIFPVBQESA-N 1 1 240.263 0.717 20 5 BCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]1CO ZINC000934015599 631610420 /nfs/dbraw/zinc/61/04/20/631610420.db2.gz PEHWOCUELOBHFL-VIFPVBQESA-N 1 1 240.263 0.166 20 5 BCBDMO C[C@@H](CNCC[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000905049749 637566672 /nfs/dbraw/zinc/56/66/72/637566672.db2.gz PXIDYPXRBJSSKC-MNOVXSKESA-N 1 1 229.324 0.973 20 5 BCBDMO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000905049749 637566676 /nfs/dbraw/zinc/56/66/76/637566676.db2.gz PXIDYPXRBJSSKC-MNOVXSKESA-N 1 1 229.324 0.973 20 5 BCBDMO C[C@H](C[NH2+]CC[N+](=O)[O-])N1CCC(C)CC1 ZINC000905065342 637599772 /nfs/dbraw/zinc/59/97/72/637599772.db2.gz HOKWSSGNZNIILN-LLVKDONJSA-N 1 1 229.324 0.973 20 5 BCBDMO CC(C)(C)S(=O)(=O)CC[NH2+]CC[N+](=O)[O-] ZINC000905114619 637621060 /nfs/dbraw/zinc/62/10/60/637621060.db2.gz PNXQPEMOMZBDKK-UHFFFAOYSA-N 1 1 238.309 0.066 20 5 BCBDMO C[C@H]1C[C@H](NCC[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000905160975 637672924 /nfs/dbraw/zinc/67/29/24/637672924.db2.gz RGQODTGAZXLTDB-IUCAKERBSA-N 1 1 213.281 0.478 20 5 BCBDMO C[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CN1C1CC1 ZINC000905160975 637672932 /nfs/dbraw/zinc/67/29/32/637672932.db2.gz RGQODTGAZXLTDB-IUCAKERBSA-N 1 1 213.281 0.478 20 5 BCBDMO O=[N+]([O-])CCNC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000905229354 637690294 /nfs/dbraw/zinc/69/02/94/637690294.db2.gz BFYOFWFTZNKHBC-NSHDSACASA-N 1 1 227.308 0.870 20 5 BCBDMO O=[N+]([O-])CCNC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000905229354 637690296 /nfs/dbraw/zinc/69/02/96/637690296.db2.gz BFYOFWFTZNKHBC-NSHDSACASA-N 1 1 227.308 0.870 20 5 BCBDMO CCCC[N@@H+](C)C[C@H](C)NCC[N+](=O)[O-] ZINC000905263166 637717304 /nfs/dbraw/zinc/71/73/04/637717304.db2.gz ZWMLMUBBDSJEEM-JTQLQIEISA-N 1 1 217.313 0.973 20 5 BCBDMO O=[N+]([O-])CCNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000905397318 637794926 /nfs/dbraw/zinc/79/49/26/637794926.db2.gz VWEUDUPYQIYJOT-NSHDSACASA-N 1 1 227.308 0.870 20 5 BCBDMO O=[N+]([O-])CC[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000905397318 637794934 /nfs/dbraw/zinc/79/49/34/637794934.db2.gz VWEUDUPYQIYJOT-NSHDSACASA-N 1 1 227.308 0.870 20 5 BCBDMO O=[N+]([O-])CCNC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905620712 637860374 /nfs/dbraw/zinc/86/03/74/637860374.db2.gz VIUNHKJQZWTYSI-NSHDSACASA-N 1 1 243.307 0.106 20 5 BCBDMO O=[N+]([O-])CCNC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905620712 637860378 /nfs/dbraw/zinc/86/03/78/637860378.db2.gz VIUNHKJQZWTYSI-NSHDSACASA-N 1 1 243.307 0.106 20 5 BCBDMO C[C@@H]1CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971883 637985544 /nfs/dbraw/zinc/98/55/44/637985544.db2.gz DNEGIIJBUOQSEN-SCZZXKLOSA-N 1 1 240.263 0.246 20 5 BCBDMO C[C@H](CO)[N@@H+](CC[N+](=O)[O-])CC1CCC1 ZINC000930292790 639677551 /nfs/dbraw/zinc/67/75/51/639677551.db2.gz JSJITCAPERVHQZ-SECBINFHSA-N 1 1 216.281 0.746 20 5 BCBDMO CC[N@H+]1CCN(CC[N+](=O)[O-])[C@H](C)C1 ZINC000930452498 639755755 /nfs/dbraw/zinc/75/57/55/639755755.db2.gz LXQQUZAYOGYMJP-SECBINFHSA-N 1 1 201.270 0.289 20 5 BCBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC[N+](=O)[O-] ZINC000930454637 639758410 /nfs/dbraw/zinc/75/84/10/639758410.db2.gz HQCKIGDUZLELFM-WDEREUQCSA-N 1 1 243.307 0.058 20 5 BCBDMO Cc1cnn([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)c1 ZINC000930527760 639801270 /nfs/dbraw/zinc/80/12/70/639801270.db2.gz ZTZDUBSTNVWFBZ-JTQLQIEISA-N 1 1 224.264 0.715 20 5 BCBDMO Cc1cnn([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)c1 ZINC000930527760 639801272 /nfs/dbraw/zinc/80/12/72/639801272.db2.gz ZTZDUBSTNVWFBZ-JTQLQIEISA-N 1 1 224.264 0.715 20 5 BCBDMO Cc1cnn([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)c1 ZINC000930527762 639802315 /nfs/dbraw/zinc/80/23/15/639802315.db2.gz ZTZDUBSTNVWFBZ-SNVBAGLBSA-N 1 1 224.264 0.715 20 5 BCBDMO Cc1cnn([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)c1 ZINC000930527762 639802317 /nfs/dbraw/zinc/80/23/17/639802317.db2.gz ZTZDUBSTNVWFBZ-SNVBAGLBSA-N 1 1 224.264 0.715 20 5 BCBDMO CC[C@H]1C[N@@H+](CC)CCN1CC[N+](=O)[O-] ZINC000930653778 639847045 /nfs/dbraw/zinc/84/70/45/639847045.db2.gz ZNLRBNREYSWVFH-JTQLQIEISA-N 1 1 215.297 0.679 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000930866041 639959057 /nfs/dbraw/zinc/95/90/57/639959057.db2.gz HWGKKRREUIASBQ-SSDOTTSWSA-N 1 1 206.192 0.994 20 5 BCBDMO O=C1CCC2=C(CC[N@@H+](CC[N+](=O)[O-])C2)N1 ZINC000930920474 639986958 /nfs/dbraw/zinc/98/69/58/639986958.db2.gz ZASQLPPETCBLCQ-UHFFFAOYSA-N 1 1 225.248 0.133 20 5 BCBDMO O=C1CCC2=C(CC[N@H+](CC[N+](=O)[O-])C2)N1 ZINC000930920474 639986960 /nfs/dbraw/zinc/98/69/60/639986960.db2.gz ZASQLPPETCBLCQ-UHFFFAOYSA-N 1 1 225.248 0.133 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000931059924 640048785 /nfs/dbraw/zinc/04/87/85/640048785.db2.gz PIDGWSGGUVXJPU-DTWKUNHWSA-N 1 1 200.238 0.231 20 5 BCBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])C[C@]1(C)CO ZINC000931065043 640054548 /nfs/dbraw/zinc/05/45/48/640054548.db2.gz DZFSHNCPGBYFJR-DTWKUNHWSA-N 1 1 202.254 0.213 20 5 BCBDMO C[N@H+]1C[C@@]2(C)CN(CC[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931311743 640146348 /nfs/dbraw/zinc/14/63/48/640146348.db2.gz MJSSNOHHVASAEF-PHIMTYICSA-N 1 1 227.308 0.537 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000931504648 640235722 /nfs/dbraw/zinc/23/57/22/640235722.db2.gz JJHOAWUFGPDXDM-AXFHLTTASA-N 1 1 228.292 0.889 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCc2ncncc2C1 ZINC000931707516 640330632 /nfs/dbraw/zinc/33/06/32/640330632.db2.gz RVRDUUQJWWMWIW-UHFFFAOYSA-N 1 1 208.221 0.111 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCc2ncncc2C1 ZINC000931707516 640330637 /nfs/dbraw/zinc/33/06/37/640330637.db2.gz RVRDUUQJWWMWIW-UHFFFAOYSA-N 1 1 208.221 0.111 20 5 BCBDMO CC(C)OC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000931752712 640349203 /nfs/dbraw/zinc/34/92/03/640349203.db2.gz NWSUABHKAHZYAE-UHFFFAOYSA-N 1 1 244.291 0.927 20 5 BCBDMO CCO[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929678206 641393557 /nfs/dbraw/zinc/39/35/57/641393557.db2.gz HLDGWYJPNGUQLP-VIFPVBQESA-N 1 1 202.254 0.764 20 5 BCBDMO C[N@H+]1CCC[C@@H]1Cn1cnc([N+](=O)[O-])c1 ZINC000916558822 641947011 /nfs/dbraw/zinc/94/70/11/641947011.db2.gz QJSDLDUOLALQHB-MRVPVSSYSA-N 1 1 210.237 0.886 20 5 BCBDMO C[N@H+]1CCC[C@H]1Cn1cnc([N+](=O)[O-])c1 ZINC000916558823 641947819 /nfs/dbraw/zinc/94/78/19/641947819.db2.gz QJSDLDUOLALQHB-QMMMGPOBSA-N 1 1 210.237 0.886 20 5 BCBDMO C[N@H+]1CCC[C@H]1Cn1nccc1[N+](=O)[O-] ZINC000916723332 641970925 /nfs/dbraw/zinc/97/09/25/641970925.db2.gz REVAURBPWXGXDN-QMMMGPOBSA-N 1 1 210.237 0.886 20 5 BCBDMO C[N@H+]1CCC[C@@H]1Cn1ccnc1[N+](=O)[O-] ZINC000918387928 642196538 /nfs/dbraw/zinc/19/65/38/642196538.db2.gz USPAJLHWXHJZFN-MRVPVSSYSA-N 1 1 210.237 0.886 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000929529361 646174816 /nfs/dbraw/zinc/17/48/16/646174816.db2.gz SEJPNEXIKBAEKJ-VIFPVBQESA-N 1 1 202.254 0.358 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000929727084 646277179 /nfs/dbraw/zinc/27/71/79/646277179.db2.gz XHGSHSWCHGYBPE-NSHDSACASA-N 1 1 243.307 0.060 20 5 BCBDMO CCOC[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929780936 646307984 /nfs/dbraw/zinc/30/79/84/646307984.db2.gz SJSYKMNVKRPOEU-VIFPVBQESA-N 1 1 202.254 0.622 20 5 BCBDMO C[C@H]1C[C@@H](N(C)CC[N+](=O)[O-])CC[N@H+]1C ZINC000929783048 646312947 /nfs/dbraw/zinc/31/29/47/646312947.db2.gz PLKHTNJCRIRBLH-UWVGGRQHSA-N 1 1 215.297 0.678 20 5 BCBDMO C[C@@]1(CCCO)CCC[N@H+]1CC[N+](=O)[O-] ZINC000930157524 646451992 /nfs/dbraw/zinc/45/19/92/646451992.db2.gz GAPHMZACISOCFX-JTQLQIEISA-N 1 1 216.281 0.890 20 5 BCBDMO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])CCCO1 ZINC000930316413 712712190 /nfs/dbraw/zinc/71/21/90/712712190.db2.gz JBFAEYQDJDRTQX-VIFPVBQESA-N 1 1 202.254 0.764 20 5 BCBDMO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000719571360 712811055 /nfs/dbraw/zinc/81/10/55/712811055.db2.gz GTFKTSGVCGFRDA-APPZFPTMSA-N 1 1 237.263 0.889 20 5 BCBDMO C[C@@H](CO)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000282785217 398318273 /nfs/dbraw/zinc/31/82/73/398318273.db2.gz NABHJMCVOFONMG-QMMMGPOBSA-N 1 1 228.252 0.104 20 5 BCBDMO CC(C)[N@@H+](C)C[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000380116208 343680235 /nfs/dbraw/zinc/68/02/35/343680235.db2.gz AWEUZQGDIKFVAS-VIFPVBQESA-N 1 1 242.279 0.492 20 5 BCBDMO CC(C)[N@@H+](C)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000380116207 343679990 /nfs/dbraw/zinc/67/99/90/343679990.db2.gz AWEUZQGDIKFVAS-SECBINFHSA-N 1 1 242.279 0.492 20 5 BCBDMO Cc1cc(=O)n(Cc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000603335382 349926921 /nfs/dbraw/zinc/92/69/21/349926921.db2.gz UJVGIEXPZQSOOH-UHFFFAOYSA-N 1 1 248.242 0.847 20 5 BCBDMO CN(CCC[NH3+])CCn1cc([N+](=O)[O-])cn1 ZINC000592984590 347836487 /nfs/dbraw/zinc/83/64/87/347836487.db2.gz QTUAZKCNBKCQAV-UHFFFAOYSA-N 1 1 227.268 0.072 20 5 BCBDMO O=C1NCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594969687 348162100 /nfs/dbraw/zinc/16/21/00/348162100.db2.gz ZIFZHOKILBJQJC-ZETCQYMHSA-N 1 1 241.272 0.634 20 5 BCBDMO Cc1noc(C[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000595295550 348216001 /nfs/dbraw/zinc/21/60/01/348216001.db2.gz ZVAMEDRCYKKNLM-MRVPVSSYSA-N 1 1 241.247 0.848 20 5 BCBDMO Cc1noc(C[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000595295550 348216006 /nfs/dbraw/zinc/21/60/06/348216006.db2.gz ZVAMEDRCYKKNLM-MRVPVSSYSA-N 1 1 241.247 0.848 20 5 BCBDMO Cc1[nH+]ccn1CCn1ccc([N+](=O)[O-])n1 ZINC000176202501 180262235 /nfs/dbraw/zinc/26/22/35/180262235.db2.gz DSBLYMMNZSBEIH-UHFFFAOYSA-N 1 1 221.220 0.996 20 5 BCBDMO C[N@H+]1CC[C@@H](Cn2cnc([N+](=O)[O-])c2)C1 ZINC000191063277 357746501 /nfs/dbraw/zinc/74/65/01/357746501.db2.gz GNQHMYCNHACAPL-MRVPVSSYSA-N 1 1 210.237 0.743 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cocn2)c1 ZINC000428867448 201046456 /nfs/dbraw/zinc/04/64/56/201046456.db2.gz NJCTYIOCSNYZPM-UHFFFAOYSA-N 1 1 237.219 0.569 20 5 BCBDMO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1O ZINC000602799781 371843099 /nfs/dbraw/zinc/84/30/99/371843099.db2.gz UBQCKBKOENPRJG-IONNQARKSA-N 1 1 240.263 0.141 20 5 BCBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1O ZINC000602799781 371843106 /nfs/dbraw/zinc/84/31/06/371843106.db2.gz UBQCKBKOENPRJG-IONNQARKSA-N 1 1 240.263 0.141 20 5 BCBDMO CC[C@H](CO)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831867 371846089 /nfs/dbraw/zinc/84/60/89/371846089.db2.gz KMXOGLZRYFJMGT-SECBINFHSA-N 1 1 242.279 0.531 20 5 BCBDMO CC[C@H](CO)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602831867 371846096 /nfs/dbraw/zinc/84/60/96/371846096.db2.gz KMXOGLZRYFJMGT-SECBINFHSA-N 1 1 242.279 0.531 20 5 BCBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)CO ZINC000602839624 371847332 /nfs/dbraw/zinc/84/73/32/371847332.db2.gz WBRIACKZLDULKW-MRVPVSSYSA-N 1 1 242.279 0.531 20 5 BCBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)CO ZINC000602839624 371847335 /nfs/dbraw/zinc/84/73/35/371847335.db2.gz WBRIACKZLDULKW-MRVPVSSYSA-N 1 1 242.279 0.531 20 5 BCBDMO C[C@@H](O)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000175263356 383886631 /nfs/dbraw/zinc/88/66/31/383886631.db2.gz LKFPZKUMKWBAHF-MRVPVSSYSA-N 1 1 228.252 0.104 20 5 BCBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000340223893 384138340 /nfs/dbraw/zinc/13/83/40/384138340.db2.gz UGQKHYSCPGOAER-LLVKDONJSA-N 1 1 249.270 0.915 20 5 BCBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000340223893 384138342 /nfs/dbraw/zinc/13/83/42/384138342.db2.gz UGQKHYSCPGOAER-LLVKDONJSA-N 1 1 249.270 0.915 20 5 BCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1(CO)CC1 ZINC000285624992 384172880 /nfs/dbraw/zinc/17/28/80/384172880.db2.gz WUJWFEOYLXCCPA-UHFFFAOYSA-N 1 1 240.263 0.248 20 5 BCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)CO ZINC000610447938 384169616 /nfs/dbraw/zinc/16/96/16/384169616.db2.gz WWPKDJWAMJAASS-UHFFFAOYSA-N 1 1 242.279 0.494 20 5 BCBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173531905 384227629 /nfs/dbraw/zinc/22/76/29/384227629.db2.gz WFAQZVYJAPPOHN-JTQLQIEISA-N 1 1 240.263 0.246 20 5 BCBDMO C[C@@H](O)CC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176266789 384509559 /nfs/dbraw/zinc/50/95/59/384509559.db2.gz RFZVEDUYZCWIGU-SECBINFHSA-N 1 1 242.279 0.494 20 5 BCBDMO CC(C)[N@@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000176364906 384527640 /nfs/dbraw/zinc/52/76/40/384527640.db2.gz IWIGIIMEXAFCMG-UHFFFAOYSA-N 1 1 242.279 0.494 20 5 BCBDMO O=[N+]([O-])c1ccccc1C[NH+](CCO)CCO ZINC000049753414 384564560 /nfs/dbraw/zinc/56/45/60/384564560.db2.gz GAEWFSCYUWASEW-UHFFFAOYSA-N 1 1 240.259 0.381 20 5 BCBDMO CC1(C(N)=O)C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000565419145 384642604 /nfs/dbraw/zinc/64/26/04/384642604.db2.gz JRRUPCINHMPMPO-UHFFFAOYSA-N 1 1 249.270 0.902 20 5 BCBDMO C[C@@H](O)CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266920268 386694977 /nfs/dbraw/zinc/69/49/77/386694977.db2.gz IEYLMUUOVROIPH-SECBINFHSA-N 1 1 242.279 0.494 20 5 BCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000266922276 386719089 /nfs/dbraw/zinc/71/90/89/386719089.db2.gz IRDAMZYVEGNPLH-VIFPVBQESA-N 1 1 240.263 0.512 20 5 BCBDMO CO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000361384828 387452689 /nfs/dbraw/zinc/45/26/89/387452689.db2.gz MKENSFJTGYTISI-SECBINFHSA-N 1 1 240.263 0.512 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](CO)C2)c1 ZINC000304492548 388358820 /nfs/dbraw/zinc/35/88/20/388358820.db2.gz MHDJXPYFPWVLJE-VIFPVBQESA-N 1 1 240.263 0.106 20 5 BCBDMO CO[C@H](C)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000353200115 388368738 /nfs/dbraw/zinc/36/87/38/388368738.db2.gz AVGVAPMDMULEBZ-SECBINFHSA-N 1 1 242.279 0.758 20 5 BCBDMO O=C([C@H]1CC1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000374478665 388715336 /nfs/dbraw/zinc/71/53/36/388715336.db2.gz CSDLMDARRWQHQM-XFWSIPNHSA-N 1 1 239.275 0.005 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC(C)(C)O ZINC000331069497 388763365 /nfs/dbraw/zinc/76/33/65/388763365.db2.gz SFHXCJBZTARMMV-UHFFFAOYSA-N 1 1 242.279 0.531 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CC(C)(C)O ZINC000331069497 388763369 /nfs/dbraw/zinc/76/33/69/388763369.db2.gz SFHXCJBZTARMMV-UHFFFAOYSA-N 1 1 242.279 0.531 20 5 BCBDMO C[C@H]([NH2+]CC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000020525871 388774903 /nfs/dbraw/zinc/77/49/03/388774903.db2.gz ZBPWSCZKPWXQTI-ZETCQYMHSA-N 1 1 223.232 0.731 20 5 BCBDMO C[C@H](CO)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000284776182 388831847 /nfs/dbraw/zinc/83/18/47/388831847.db2.gz NABHJMCVOFONMG-MRVPVSSYSA-N 1 1 228.252 0.104 20 5 BCBDMO Cc1nn(Cc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC000436474020 411919772 /nfs/dbraw/zinc/91/97/72/411919772.db2.gz MJDXUFPRCQEGRM-UHFFFAOYSA-N 1 1 233.231 1.125 20 5 BCBDMO C[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000230873037 173057020 /nfs/dbraw/zinc/05/70/20/173057020.db2.gz QMSUFCHWYGXGEG-QMMMGPOBSA-N 1 1 237.263 0.891 20 5 BCBDMO C[N@@H+]1C[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]2C1 ZINC000278806782 173200296 /nfs/dbraw/zinc/20/02/96/173200296.db2.gz RSRQZFQLXZEGHY-AOOOYVTPSA-N 1 1 248.286 0.988 20 5 BCBDMO CNC(=O)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000274526565 173227259 /nfs/dbraw/zinc/22/72/59/173227259.db2.gz PMEPQNGNKNBFFG-UHFFFAOYSA-N 1 1 249.270 0.773 20 5 BCBDMO CNC(=O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037472351 173277547 /nfs/dbraw/zinc/27/75/47/173277547.db2.gz CGOKJYCMRLLEQG-UHFFFAOYSA-N 1 1 229.261 0.492 20 5 BCBDMO C[C@H]1C[C@H](O)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000340909876 177374002 /nfs/dbraw/zinc/37/40/02/177374002.db2.gz NZGUNFWLKTYDPA-YUMQZZPRSA-N 1 1 240.263 0.283 20 5 BCBDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000340909876 177374003 /nfs/dbraw/zinc/37/40/03/177374003.db2.gz NZGUNFWLKTYDPA-YUMQZZPRSA-N 1 1 240.263 0.283 20 5 BCBDMO Cc1nn(C)c(-c2nc(C[NH3+])no2)c1[N+](=O)[O-] ZINC000567849917 326270471 /nfs/dbraw/zinc/27/04/71/326270471.db2.gz OLHVJNNDENTOKQ-UHFFFAOYSA-N 1 1 238.207 0.145 20 5 BCBDMO C[N@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000893938824 583253587 /nfs/dbraw/zinc/25/35/87/583253587.db2.gz GJWHIWBZXXRDEQ-SCZZXKLOSA-N 1 1 249.274 0.525 20 5 BCBDMO C[N@H+]1C[C@H]2CCN(c3ncc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893938821 583253698 /nfs/dbraw/zinc/25/36/98/583253698.db2.gz GJWHIWBZXXRDEQ-PSASIEDQSA-N 1 1 249.274 0.525 20 5 BCBDMO O=[N+]([O-])CC[NH2+]C[C@@H](O)c1ccco1 ZINC000899871245 584244892 /nfs/dbraw/zinc/24/48/92/584244892.db2.gz QSGDIMSSRONXCS-SSDOTTSWSA-N 1 1 200.194 0.179 20 5 BCBDMO COCC1(C2CC2)C[NH+](CC[N+](=O)[O-])C1 ZINC000899894314 584248288 /nfs/dbraw/zinc/24/82/88/584248288.db2.gz XCUBBVFUHGEGHV-UHFFFAOYSA-N 1 1 214.265 0.622 20 5 BCBDMO Cn1ncc(C2CC2)c1C[NH2+]CC[N+](=O)[O-] ZINC000899893657 584248837 /nfs/dbraw/zinc/24/88/37/584248837.db2.gz UVBFIPASVAMUMR-UHFFFAOYSA-N 1 1 224.264 0.664 20 5 BCBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839549998 585330386 /nfs/dbraw/zinc/33/03/86/585330386.db2.gz FKBPVNORVVXGCK-OPRDCNLKSA-N 1 1 241.291 0.108 20 5 BCBDMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839558479 585330882 /nfs/dbraw/zinc/33/08/82/585330882.db2.gz BSIJCQMZPBXJDD-OPRDCNLKSA-N 1 1 241.291 0.110 20 5 BCBDMO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839558479 585330883 /nfs/dbraw/zinc/33/08/83/585330883.db2.gz BSIJCQMZPBXJDD-OPRDCNLKSA-N 1 1 241.291 0.110 20 5 BCBDMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839558479 585330884 /nfs/dbraw/zinc/33/08/84/585330884.db2.gz BSIJCQMZPBXJDD-OPRDCNLKSA-N 1 1 241.291 0.110 20 5 BCBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000839690474 585335309 /nfs/dbraw/zinc/33/53/09/585335309.db2.gz ILCKBTGJQZBWFX-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000839690474 585335310 /nfs/dbraw/zinc/33/53/10/585335310.db2.gz ILCKBTGJQZBWFX-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000839690474 585335311 /nfs/dbraw/zinc/33/53/11/585335311.db2.gz ILCKBTGJQZBWFX-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839727378 585338663 /nfs/dbraw/zinc/33/86/63/585338663.db2.gz AXPCHYVKZYIRMB-IVZWLZJFSA-N 1 1 241.291 0.252 20 5 BCBDMO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839727378 585338664 /nfs/dbraw/zinc/33/86/64/585338664.db2.gz AXPCHYVKZYIRMB-IVZWLZJFSA-N 1 1 241.291 0.252 20 5 BCBDMO C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839727378 585338665 /nfs/dbraw/zinc/33/86/65/585338665.db2.gz AXPCHYVKZYIRMB-IVZWLZJFSA-N 1 1 241.291 0.252 20 5 BCBDMO C[NH+](C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839727621 585338866 /nfs/dbraw/zinc/33/88/66/585338866.db2.gz DOYPDBSKAVWHKH-NXEZZACHSA-N 1 1 241.291 0.204 20 5 BCBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839774543 585341202 /nfs/dbraw/zinc/34/12/02/585341202.db2.gz BVNCABCRTHZFER-IVZWLZJFSA-N 1 1 243.307 0.497 20 5 BCBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839774543 585341203 /nfs/dbraw/zinc/34/12/03/585341203.db2.gz BVNCABCRTHZFER-IVZWLZJFSA-N 1 1 243.307 0.497 20 5 BCBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839774543 585341204 /nfs/dbraw/zinc/34/12/04/585341204.db2.gz BVNCABCRTHZFER-IVZWLZJFSA-N 1 1 243.307 0.497 20 5 BCBDMO COC(=O)[C@@]1(C)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000787728109 585915105 /nfs/dbraw/zinc/91/51/05/585915105.db2.gz BRWYHCMQTLESOZ-VIFPVBQESA-N 1 1 216.237 0.148 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000791051962 585972317 /nfs/dbraw/zinc/97/23/17/585972317.db2.gz ISOXNZQGYRACGP-IUCAKERBSA-N 1 1 232.305 0.469 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])CC1(O)CCCC1 ZINC000791053774 585973159 /nfs/dbraw/zinc/97/31/59/585973159.db2.gz GLMPXTDIMDDCSH-UHFFFAOYSA-N 1 1 202.254 0.500 20 5 BCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000817496810 586808047 /nfs/dbraw/zinc/80/80/47/586808047.db2.gz VZJXCKBECSNUAC-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000817496810 586808048 /nfs/dbraw/zinc/80/80/48/586808048.db2.gz VZJXCKBECSNUAC-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000817496810 586808049 /nfs/dbraw/zinc/80/80/49/586808049.db2.gz VZJXCKBECSNUAC-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO Cc1noc(C[NH2+][C@H](CO)C2CC2)c1[N+](=O)[O-] ZINC000851932476 588645160 /nfs/dbraw/zinc/64/51/60/588645160.db2.gz HKTZAPUOVQSMIE-MRVPVSSYSA-N 1 1 241.247 0.752 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](CO)C1 ZINC000886019250 592133443 /nfs/dbraw/zinc/13/34/43/592133443.db2.gz PGZPMCHCTRDPIG-SECBINFHSA-N 1 1 237.259 0.804 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000886019250 592133445 /nfs/dbraw/zinc/13/34/45/592133445.db2.gz PGZPMCHCTRDPIG-SECBINFHSA-N 1 1 237.259 0.804 20 5 BCBDMO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886094778 592147451 /nfs/dbraw/zinc/14/74/51/592147451.db2.gz YRMRRCCJEWCGJQ-PSASIEDQSA-N 1 1 237.259 0.945 20 5 BCBDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886094778 592147454 /nfs/dbraw/zinc/14/74/54/592147454.db2.gz YRMRRCCJEWCGJQ-PSASIEDQSA-N 1 1 237.259 0.945 20 5 BCBDMO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886100135 592154583 /nfs/dbraw/zinc/15/45/83/592154583.db2.gz GOMYAHDFNXEZLM-SCZZXKLOSA-N 1 1 237.259 0.802 20 5 BCBDMO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886100135 592154585 /nfs/dbraw/zinc/15/45/85/592154585.db2.gz GOMYAHDFNXEZLM-SCZZXKLOSA-N 1 1 237.259 0.802 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000886318218 592207682 /nfs/dbraw/zinc/20/76/82/592207682.db2.gz MUJWLHBGWTZPQA-ONGXEEELSA-N 1 1 235.243 0.556 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000886318218 592207683 /nfs/dbraw/zinc/20/76/83/592207683.db2.gz MUJWLHBGWTZPQA-ONGXEEELSA-N 1 1 235.243 0.556 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@H](CO)c1ccccc1 ZINC000308906978 631723799 /nfs/dbraw/zinc/72/37/99/631723799.db2.gz OUUZNZOEQLBERX-SNVBAGLBSA-N 1 1 210.233 0.586 20 5 BCBDMO CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983657669 635924160 /nfs/dbraw/zinc/92/41/60/635924160.db2.gz LDTWAAOWNUKOOQ-ZYUZMQFOSA-N 1 1 241.291 0.156 20 5 BCBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCC[N+](=O)[O-] ZINC000905068359 637601728 /nfs/dbraw/zinc/60/17/28/637601728.db2.gz OICRNGPPZYBPHD-MNOVXSKESA-N 1 1 229.324 0.973 20 5 BCBDMO Cc1cc(C[C@H](C)[NH2+]CC[N+](=O)[O-])n[nH]1 ZINC000905175554 637685109 /nfs/dbraw/zinc/68/51/09/637685109.db2.gz NNTKLPKREVZAMR-ZETCQYMHSA-N 1 1 212.253 0.515 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000905372912 637791087 /nfs/dbraw/zinc/79/10/87/637791087.db2.gz LNGNLBBQMRMAET-KOLCDFICSA-N 1 1 238.243 0.347 20 5 BCBDMO CC(=O)NCC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930493207 639780168 /nfs/dbraw/zinc/78/01/68/639780168.db2.gz MVYDMPBJDLCXMW-LLVKDONJSA-N 1 1 243.307 0.501 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000930563851 639811563 /nfs/dbraw/zinc/81/15/63/639811563.db2.gz IOLSCWJOJLWJSS-GFCCVEGCSA-N 1 1 238.287 0.799 20 5 BCBDMO CC[C@@H]1C[N@@H+](C)CCN1CC[N+](=O)[O-] ZINC000930587540 639814490 /nfs/dbraw/zinc/81/44/90/639814490.db2.gz VERFSFRUAHEJAE-SECBINFHSA-N 1 1 201.270 0.289 20 5 BCBDMO CC[C@H]1C[N@@H+](C)CCN1CC[N+](=O)[O-] ZINC000930587543 639814629 /nfs/dbraw/zinc/81/46/29/639814629.db2.gz VERFSFRUAHEJAE-VIFPVBQESA-N 1 1 201.270 0.289 20 5 BCBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC[N+](=O)[O-] ZINC000930607006 639818939 /nfs/dbraw/zinc/81/89/39/639818939.db2.gz LCKJMBZTUMVLRM-DTWKUNHWSA-N 1 1 202.254 0.356 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000930650914 639845049 /nfs/dbraw/zinc/84/50/49/639845049.db2.gz QQNQKSZUWOZLOJ-VIFPVBQESA-N 1 1 218.297 0.992 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000930702133 639868045 /nfs/dbraw/zinc/86/80/45/639868045.db2.gz KIIUFMAHSVVCKO-BDAKNGLRSA-N 1 1 200.238 0.374 20 5 BCBDMO CN(CC[N+](=O)[O-])C[C@@H]1CCC[N@H+]1C ZINC000930753595 639897173 /nfs/dbraw/zinc/89/71/73/639897173.db2.gz HICAEZWXYIUVMY-VIFPVBQESA-N 1 1 201.270 0.289 20 5 BCBDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930965547 639995688 /nfs/dbraw/zinc/99/56/88/639995688.db2.gz NFUVTMQEPXBWHA-VHSXEESVSA-N 1 1 216.281 0.746 20 5 BCBDMO C[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000930997422 640017304 /nfs/dbraw/zinc/01/73/04/640017304.db2.gz YBCNTURSQBRLSV-BRPSZJMVSA-N 1 1 202.254 0.212 20 5 BCBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC[N+](=O)[O-])C1 ZINC000931064618 640053061 /nfs/dbraw/zinc/05/30/61/640053061.db2.gz VLZYOPBDMYGWBY-OCAPTIKFSA-N 1 1 216.237 0.147 20 5 BCBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC[N+](=O)[O-])C1 ZINC000931064618 640053065 /nfs/dbraw/zinc/05/30/65/640053065.db2.gz VLZYOPBDMYGWBY-OCAPTIKFSA-N 1 1 216.237 0.147 20 5 BCBDMO COC(=O)C1C[C@H](C)[NH+](CC[N+](=O)[O-])[C@@H](C)C1 ZINC000931337811 640164930 /nfs/dbraw/zinc/16/49/30/640164930.db2.gz MNPWHFAQRKDWFE-IUCAKERBSA-N 1 1 244.291 0.925 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000931504652 640236106 /nfs/dbraw/zinc/23/61/06/640236106.db2.gz JJHOAWUFGPDXDM-MXWKQRLJSA-N 1 1 228.292 0.889 20 5 BCBDMO NC(=O)[C@H](C1CC1)[N@H+](CC[N+](=O)[O-])CC1CC1 ZINC000931532019 640263019 /nfs/dbraw/zinc/26/30/19/640263019.db2.gz LGGSWXZLHLTJTK-JTQLQIEISA-N 1 1 241.291 0.239 20 5 BCBDMO NC(=O)[C@H](C1CC1)[N@@H+](CC[N+](=O)[O-])CC1CC1 ZINC000931532019 640263029 /nfs/dbraw/zinc/26/30/29/640263029.db2.gz LGGSWXZLHLTJTK-JTQLQIEISA-N 1 1 241.291 0.239 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000931549648 640269419 /nfs/dbraw/zinc/26/94/19/640269419.db2.gz NYJFKOMYWJBCFU-RKDXNWHRSA-N 1 1 216.306 0.948 20 5 BCBDMO CC(C)[C@H]1CN(CC[N+](=O)[O-])CC[N@H+]1C ZINC000931549615 640270649 /nfs/dbraw/zinc/27/06/49/640270649.db2.gz GFSNOVIRMBWPPC-SNVBAGLBSA-N 1 1 215.297 0.535 20 5 BCBDMO CC(C)(O)[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931622370 640294634 /nfs/dbraw/zinc/29/46/34/640294634.db2.gz NGPXEBONYDVNIV-QMMMGPOBSA-N 1 1 202.254 0.356 20 5 BCBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](CC[N+](=O)[O-])C2 ZINC000931689903 640319126 /nfs/dbraw/zinc/31/91/26/640319126.db2.gz IUOWEWCBQDPCHI-ONGXEEELSA-N 1 1 242.275 0.538 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000931747162 640346798 /nfs/dbraw/zinc/34/67/98/640346798.db2.gz MVCKAEGOQNHINV-NXEZZACHSA-N 1 1 214.265 0.500 20 5 BCBDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CC[N+](=O)[O-])C[C@@H]21 ZINC000932053032 640415929 /nfs/dbraw/zinc/41/59/29/640415929.db2.gz HWVJXDAOHJHKQY-KXUCPTDWSA-N 1 1 242.275 0.394 20 5 BCBDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CC[N+](=O)[O-])C[C@@H]21 ZINC000932053032 640415934 /nfs/dbraw/zinc/41/59/34/640415934.db2.gz HWVJXDAOHJHKQY-KXUCPTDWSA-N 1 1 242.275 0.394 20 5 BCBDMO C[N@H+]1CCC[C@H]1Cn1cccc([N+](=O)[O-])c1=O ZINC000916832542 641979280 /nfs/dbraw/zinc/97/92/80/641979280.db2.gz RGRCEKSXGIWWSG-VIFPVBQESA-N 1 1 237.259 0.851 20 5 BCBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000928573479 645832824 /nfs/dbraw/zinc/83/28/24/645832824.db2.gz PCHWSMXNBBKGGW-ZETCQYMHSA-N 1 1 239.231 0.622 20 5 BCBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000928573479 645832829 /nfs/dbraw/zinc/83/28/29/645832829.db2.gz PCHWSMXNBBKGGW-ZETCQYMHSA-N 1 1 239.231 0.622 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1CCO ZINC000930369414 645935438 /nfs/dbraw/zinc/93/54/38/645935438.db2.gz AATLTPSCZBCEJY-SNVBAGLBSA-N 1 1 216.281 0.890 20 5 BCBDMO COC(=O)[C@@H](C)C[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000929478680 646133103 /nfs/dbraw/zinc/13/31/03/646133103.db2.gz AUEXQRUVUSDIEV-QMMMGPOBSA-N 1 1 230.264 0.537 20 5 BCBDMO COC(=O)[C@H](C)C[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000929478679 646133423 /nfs/dbraw/zinc/13/34/23/646133423.db2.gz AUEXQRUVUSDIEV-MRVPVSSYSA-N 1 1 230.264 0.537 20 5 BCBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929764565 646298407 /nfs/dbraw/zinc/29/84/07/646298407.db2.gz WYAHWSDGIBJNCL-GFCCVEGCSA-N 1 1 241.335 0.927 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000930063228 646416414 /nfs/dbraw/zinc/41/64/14/646416414.db2.gz XWVQJTVRGMJTEK-GFCCVEGCSA-N 1 1 236.271 0.687 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000930097888 646433910 /nfs/dbraw/zinc/43/39/10/646433910.db2.gz SLGQCSDYJIUHLN-DTWKUNHWSA-N 1 1 202.254 0.356 20 5 BCBDMO C[N@H+]1CCCC12CCN(CC[N+](=O)[O-])CC2 ZINC000930171137 646472138 /nfs/dbraw/zinc/47/21/38/646472138.db2.gz LPPHWLFSVPAUTF-UHFFFAOYSA-N 1 1 227.308 0.823 20 5 BCBDMO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])CCCO1 ZINC000930316412 712712199 /nfs/dbraw/zinc/71/21/99/712712199.db2.gz JBFAEYQDJDRTQX-SECBINFHSA-N 1 1 202.254 0.764 20 5 BCBDMO C[C@@H](NCC[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000905202375 711812625 /nfs/dbraw/zinc/81/26/25/711812625.db2.gz HJJWEGKEUGKBDT-SECBINFHSA-N 1 1 213.281 0.503 20 5 BCBDMO C[C@@H](NCC[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000905202375 711812626 /nfs/dbraw/zinc/81/26/26/711812626.db2.gz HJJWEGKEUGKBDT-SECBINFHSA-N 1 1 213.281 0.503 20 5 BCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CNOC2)cc1 ZINC000703306387 712071036 /nfs/dbraw/zinc/07/10/36/712071036.db2.gz RISXRHBYQBYOOB-VIFPVBQESA-N 1 1 223.232 0.588 20 5 BCBDMO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1O ZINC000351778838 136253830 /nfs/dbraw/zinc/25/38/30/136253830.db2.gz IZTTXSIZWLHLOA-CBAPKCEASA-N 1 1 240.263 0.141 20 5 BCBDMO C[C@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1O ZINC000351778838 136253831 /nfs/dbraw/zinc/25/38/31/136253831.db2.gz IZTTXSIZWLHLOA-CBAPKCEASA-N 1 1 240.263 0.141 20 5 BCBDMO CC[N@@H+](C)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000309296165 259342662 /nfs/dbraw/zinc/34/26/62/259342662.db2.gz XAOOLJJOPSXTBR-MRVPVSSYSA-N 1 1 228.252 0.104 20 5 BCBDMO CC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363208623 344930934 /nfs/dbraw/zinc/93/09/34/344930934.db2.gz DPCIZNGTYUNXHX-UWVGGRQHSA-N 1 1 241.291 0.206 20 5 BCBDMO CC[N@@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363208623 344930937 /nfs/dbraw/zinc/93/09/37/344930937.db2.gz DPCIZNGTYUNXHX-UWVGGRQHSA-N 1 1 241.291 0.206 20 5 BCBDMO CC[N@H+]1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363208623 344930939 /nfs/dbraw/zinc/93/09/39/344930939.db2.gz DPCIZNGTYUNXHX-UWVGGRQHSA-N 1 1 241.291 0.206 20 5 BCBDMO C[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401216094 346475916 /nfs/dbraw/zinc/47/59/16/346475916.db2.gz UMOCWBSUTHBTFO-UHFFFAOYSA-N 1 1 240.238 0.881 20 5 BCBDMO Cc1[nH]nc(C(=O)N(C)CCC[NH3+])c1[N+](=O)[O-] ZINC000592298106 347766408 /nfs/dbraw/zinc/76/64/08/347766408.db2.gz FKOZJKBEUDVYJW-UHFFFAOYSA-N 1 1 241.251 0.047 20 5 BCBDMO Cc1noc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595400457 348238503 /nfs/dbraw/zinc/23/85/03/348238503.db2.gz LPWMPJSGBNNRKR-XPUUQOCRSA-N 1 1 241.247 0.846 20 5 BCBDMO Cc1noc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595400457 348238507 /nfs/dbraw/zinc/23/85/07/348238507.db2.gz LPWMPJSGBNNRKR-XPUUQOCRSA-N 1 1 241.247 0.846 20 5 BCBDMO Cc1[nH+]ccn1CCCn1cnc([N+](=O)[O-])n1 ZINC000352538044 180247422 /nfs/dbraw/zinc/24/74/22/180247422.db2.gz DOZKAWXRKQHWBZ-UHFFFAOYSA-N 1 1 236.235 0.782 20 5 BCBDMO C[N@@H+]1C[C@H]2CN(c3ccncc3[N+](=O)[O-])C[C@H]2C1 ZINC000618686124 357234915 /nfs/dbraw/zinc/23/49/15/357234915.db2.gz GWXVACNPVQMHOF-AOOOYVTPSA-N 1 1 248.286 0.988 20 5 BCBDMO C[N@H+]1CC[C@H](Cn2nccc2[N+](=O)[O-])C1 ZINC000191094343 357749690 /nfs/dbraw/zinc/74/96/90/357749690.db2.gz XOYRELGMCXSHOE-QMMMGPOBSA-N 1 1 210.237 0.743 20 5 BCBDMO CC(=O)N1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000583822539 357958376 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/nfs/dbraw/zinc/27/70/80/589277080.db2.gz UAHJQQSLKMHIRP-UHFFFAOYSA-N 1 1 240.263 0.717 20 5 BCBDMO C[N@@H+](Cn1cc([N+](=O)[O-])cn1)CC1(C)COC1 ZINC000863299050 589277082 /nfs/dbraw/zinc/27/70/82/589277082.db2.gz UAHJQQSLKMHIRP-UHFFFAOYSA-N 1 1 240.263 0.717 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1CO ZINC000885988760 592122940 /nfs/dbraw/zinc/12/29/40/592122940.db2.gz NTRUAUYLZNFEKJ-JTQLQIEISA-N 1 1 237.259 0.947 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1CO ZINC000885988760 592122942 /nfs/dbraw/zinc/12/29/42/592122942.db2.gz NTRUAUYLZNFEKJ-JTQLQIEISA-N 1 1 237.259 0.947 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000886159893 592165285 /nfs/dbraw/zinc/16/52/85/592165285.db2.gz FFPPROXPHOVBGC-PWSUYJOCSA-N 1 1 249.270 0.804 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000886159893 592165288 /nfs/dbraw/zinc/16/52/88/592165288.db2.gz FFPPROXPHOVBGC-PWSUYJOCSA-N 1 1 249.270 0.804 20 5 BCBDMO CC1(C)C[C@H](O)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930651112 633987022 /nfs/dbraw/zinc/98/70/22/633987022.db2.gz QUBGYPAJIGODIZ-SECBINFHSA-N 1 1 216.281 0.746 20 5 BCBDMO O=[N+]([O-])CCN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000905047738 637566312 /nfs/dbraw/zinc/56/63/12/637566312.db2.gz VWYOQLOMVGJETN-UWVGGRQHSA-N 1 1 213.281 0.480 20 5 BCBDMO O=[N+]([O-])CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000905049238 637566053 /nfs/dbraw/zinc/56/60/53/637566053.db2.gz JDGMTIZJFOZXOK-VHSXEESVSA-N 1 1 213.281 0.480 20 5 BCBDMO O=C1C[C@H]([NH2+]CC[N+](=O)[O-])CN1c1ccccc1 ZINC000905063976 637597651 /nfs/dbraw/zinc/59/76/51/637597651.db2.gz FNBDUNWBFPIQEJ-JTQLQIEISA-N 1 1 249.270 0.658 20 5 BCBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCC[N+](=O)[O-] ZINC000905068360 637600997 /nfs/dbraw/zinc/60/09/97/637600997.db2.gz OICRNGPPZYBPHD-QWRGUYRKSA-N 1 1 229.324 0.973 20 5 BCBDMO CC[N@@H+](CCNCC[N+](=O)[O-])C(C)C ZINC000905109700 637618221 /nfs/dbraw/zinc/61/82/21/637618221.db2.gz FHDQKNIOYGARTP-UHFFFAOYSA-N 1 1 203.286 0.583 20 5 BCBDMO Cc1ncsc1C[NH2+]CC[N+](=O)[O-] ZINC000905094731 637631230 /nfs/dbraw/zinc/63/12/30/637631230.db2.gz RTVWESQYAAXBKM-UHFFFAOYSA-N 1 1 201.251 0.818 20 5 BCBDMO CN(C)c1cccc(C[NH2+]CC[N+](=O)[O-])n1 ZINC000905190696 637671641 /nfs/dbraw/zinc/67/16/41/637671641.db2.gz YHFAQCGVDHPOFF-UHFFFAOYSA-N 1 1 224.264 0.514 20 5 BCBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC[N+](=O)[O-] ZINC000905161254 637673143 /nfs/dbraw/zinc/67/31/43/637673143.db2.gz WHFZFWHHZKYZES-PSASIEDQSA-N 1 1 213.281 0.335 20 5 BCBDMO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000905161254 637673147 /nfs/dbraw/zinc/67/31/47/637673147.db2.gz WHFZFWHHZKYZES-PSASIEDQSA-N 1 1 213.281 0.335 20 5 BCBDMO O=[N+]([O-])CC[NH2+]Cc1ccc(O)c(F)c1 ZINC000905175225 637685182 /nfs/dbraw/zinc/68/51/82/637685182.db2.gz GYYHQMYCGKYXNM-UHFFFAOYSA-N 1 1 214.196 0.898 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000905343480 637783066 /nfs/dbraw/zinc/78/30/66/637783066.db2.gz YZAOIASUMYBLLR-WDEREUQCSA-N 1 1 222.244 0.511 20 5 BCBDMO CCC[N@H+]1CC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905372564 637791335 /nfs/dbraw/zinc/79/13/35/637791335.db2.gz NNZHDPUFOCVOPZ-SECBINFHSA-N 1 1 201.270 0.337 20 5 BCBDMO CCCN1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905372564 637791338 /nfs/dbraw/zinc/79/13/38/637791338.db2.gz NNZHDPUFOCVOPZ-SECBINFHSA-N 1 1 201.270 0.337 20 5 BCBDMO C[C@H]1CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971887 637986126 /nfs/dbraw/zinc/98/61/26/637986126.db2.gz DNEGIIJBUOQSEN-WPRPVWTQSA-N 1 1 240.263 0.246 20 5 BCBDMO Cc1nn(C)cc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930207157 639637597 /nfs/dbraw/zinc/63/75/97/639637597.db2.gz FTGIAKJNRJOBNJ-ZETCQYMHSA-N 1 1 212.253 0.656 20 5 BCBDMO CO[C@@]1(C)CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930269841 639671716 /nfs/dbraw/zinc/67/17/16/639671716.db2.gz KOTAZBHVSMHPNT-VIFPVBQESA-N 1 1 202.254 0.764 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000930366759 639732033 /nfs/dbraw/zinc/73/20/33/639732033.db2.gz YMLNDMPVVMUDLU-ZJUUUORDSA-N 1 1 214.265 0.907 20 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216.281 0.746 20 5 BCBDMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1CO ZINC000931102859 640066782 /nfs/dbraw/zinc/06/67/82/640066782.db2.gz HYVOYOZXLHPZPA-DTWKUNHWSA-N 1 1 202.254 0.213 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000931381959 640172073 /nfs/dbraw/zinc/17/20/73/640172073.db2.gz KFROUBBGHYYPDN-RKDXNWHRSA-N 1 1 202.254 0.498 20 5 BCBDMO COC(=O)[C@@]1(C)C[N@@H+](CC[N+](=O)[O-])C[C@@H]1C ZINC000931379366 640172931 /nfs/dbraw/zinc/17/29/31/640172931.db2.gz IGBCHHJENYANBC-WPRPVWTQSA-N 1 1 230.264 0.394 20 5 BCBDMO CC[C@]1(O)CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931476083 640232055 /nfs/dbraw/zinc/23/20/55/640232055.db2.gz NFDJPSZIJKIHSS-VIFPVBQESA-N 1 1 202.254 0.500 20 5 BCBDMO Cn1cc(CN2CCn3cc[nH+]c32)c([N+](=O)[O-])n1 ZINC000931517005 640247670 /nfs/dbraw/zinc/24/76/70/640247670.db2.gz CQTKERZWUJZXMP-UHFFFAOYSA-N 1 1 248.246 0.545 20 5 BCBDMO CC(C)[N@H+]1CCCN(CC[N+](=O)[O-])CC1 ZINC000929493173 641334151 /nfs/dbraw/zinc/33/41/51/641334151.db2.gz PSMATPRSEUTSRH-UHFFFAOYSA-N 1 1 215.297 0.679 20 5 BCBDMO CCC[N@@H+](CC[N+](=O)[O-])CC(C)(C)O ZINC000929526150 641344687 /nfs/dbraw/zinc/34/46/87/641344687.db2.gz OFTRXXWGKVHGAD-UHFFFAOYSA-N 1 1 204.270 0.746 20 5 BCBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC[N+](=O)[O-] ZINC000929815742 641664128 /nfs/dbraw/zinc/66/41/28/641664128.db2.gz VCENYIUEKRVWMA-MNOVXSKESA-N 1 1 227.308 0.822 20 5 BCBDMO C[C@H](O)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930059945 642299961 /nfs/dbraw/zinc/29/99/61/642299961.db2.gz HBISYQUAWNWLBT-IUCAKERBSA-N 1 1 202.254 0.356 20 5 BCBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000928566081 645825765 /nfs/dbraw/zinc/82/57/65/645825765.db2.gz OEYDRYBSKPOVHG-ZETCQYMHSA-N 1 1 238.247 0.357 20 5 BCBDMO C[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000928566081 645825768 /nfs/dbraw/zinc/82/57/68/645825768.db2.gz OEYDRYBSKPOVHG-ZETCQYMHSA-N 1 1 238.247 0.357 20 5 BCBDMO COC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929221997 646020679 /nfs/dbraw/zinc/02/06/79/646020679.db2.gz RVESAJQITKQCCG-UHFFFAOYSA-N 1 1 216.237 0.148 20 5 BCBDMO COC(=O)C[C@@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929475546 646134428 /nfs/dbraw/zinc/13/44/28/646134428.db2.gz ZBKXTZIAQCQFQB-VIFPVBQESA-N 1 1 230.264 0.681 20 5 BCBDMO C[C@H](O)[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000929594944 646190335 /nfs/dbraw/zinc/19/03/35/646190335.db2.gz KRARSPJDAIKJPF-DTWKUNHWSA-N 1 1 202.254 0.498 20 5 BCBDMO O=[N+]([O-])CC[N@H+](CCO)CCc1ccccc1 ZINC000929630385 646213661 /nfs/dbraw/zinc/21/36/61/646213661.db2.gz GAURDYNMMGPIQW-UHFFFAOYSA-N 1 1 238.287 0.800 20 5 BCBDMO O=[N+]([O-])CC[N@@H+](CCO)CCc1ccccc1 ZINC000929630385 646213670 /nfs/dbraw/zinc/21/36/70/646213670.db2.gz GAURDYNMMGPIQW-UHFFFAOYSA-N 1 1 238.287 0.800 20 5 BCBDMO CN(CC[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000929700310 646255493 /nfs/dbraw/zinc/25/54/93/646255493.db2.gz ZQRFGDQSGJNRPF-SNVBAGLBSA-N 1 1 215.297 0.537 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000929992487 646386652 /nfs/dbraw/zinc/38/66/52/646386652.db2.gz RNIHJYZENYYGAU-VIFPVBQESA-N 1 1 224.264 0.866 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000929992487 646386658 /nfs/dbraw/zinc/38/66/58/646386658.db2.gz RNIHJYZENYYGAU-VIFPVBQESA-N 1 1 224.264 0.866 20 5 BCBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930163685 646466800 /nfs/dbraw/zinc/46/68/00/646466800.db2.gz VAEZFCVXOYJVDK-DTWKUNHWSA-N 1 1 201.270 0.288 20 5 BCBDMO C[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000712594038 712435092 /nfs/dbraw/zinc/43/50/92/712435092.db2.gz KCOWKEKFXUGIND-ZETCQYMHSA-N 1 1 223.236 0.501 20 5 BCBDMO CCC[N@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602434687 349538090 /nfs/dbraw/zinc/53/80/90/349538090.db2.gz QMSKPQDKCMUKSY-UHFFFAOYSA-N 1 1 242.279 0.533 20 5 BCBDMO CCC[N@@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602434687 349538091 /nfs/dbraw/zinc/53/80/91/349538091.db2.gz QMSKPQDKCMUKSY-UHFFFAOYSA-N 1 1 242.279 0.533 20 5 BCBDMO CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1 ZINC000363208625 344931215 /nfs/dbraw/zinc/93/12/15/344931215.db2.gz DPCIZNGTYUNXHX-ZJUUUORDSA-N 1 1 241.291 0.206 20 5 BCBDMO CC[N@@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363208625 344931217 /nfs/dbraw/zinc/93/12/17/344931217.db2.gz DPCIZNGTYUNXHX-ZJUUUORDSA-N 1 1 241.291 0.206 20 5 BCBDMO CC[N@H+]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363208625 344931221 /nfs/dbraw/zinc/93/12/21/344931221.db2.gz DPCIZNGTYUNXHX-ZJUUUORDSA-N 1 1 241.291 0.206 20 5 BCBDMO Cc1noc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000595406588 348240802 /nfs/dbraw/zinc/24/08/02/348240802.db2.gz DPDREQADZNEIDG-SVRRBLITSA-N 1 1 241.247 0.704 20 5 BCBDMO Cc1noc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1[N+](=O)[O-] ZINC000595406588 348240804 /nfs/dbraw/zinc/24/08/04/348240804.db2.gz DPDREQADZNEIDG-SVRRBLITSA-N 1 1 241.247 0.704 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000205425460 348515368 /nfs/dbraw/zinc/51/53/68/348515368.db2.gz RRYHZHBUPJFIBQ-SNVBAGLBSA-N 1 1 240.263 0.248 20 5 BCBDMO C[N@H+]1CC[C@H](Cn2cnc([N+](=O)[O-])c2)C1 ZINC000191063260 357746177 /nfs/dbraw/zinc/74/61/77/357746177.db2.gz GNQHMYCNHACAPL-QMMMGPOBSA-N 1 1 210.237 0.743 20 5 BCBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)CO ZINC000610485248 357957307 /nfs/dbraw/zinc/95/73/07/357957307.db2.gz ZOSKXRQFJOGJRI-UHFFFAOYSA-N 1 1 242.279 0.494 20 5 BCBDMO C[C@H](CCC[NH3+])NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000581011082 367233768 /nfs/dbraw/zinc/23/37/68/367233768.db2.gz JONZREJVJQKNDO-ZCFIWIBFSA-N 1 1 241.251 0.175 20 5 BCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCO ZINC000302538407 371581497 /nfs/dbraw/zinc/58/14/97/371581497.db2.gz YHSQFADYUAAGHM-UHFFFAOYSA-N 1 1 242.279 0.414 20 5 BCBDMO CC[N@@H+](C)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601965988 371779747 /nfs/dbraw/zinc/77/97/47/371779747.db2.gz VITJUPGAVLKPSI-MRVPVSSYSA-N 1 1 228.252 0.104 20 5 BCBDMO CC[N@@H+](C)C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601965989 371779826 /nfs/dbraw/zinc/77/98/26/371779826.db2.gz VITJUPGAVLKPSI-QMMMGPOBSA-N 1 1 228.252 0.104 20 5 BCBDMO Cn1cc(C[N@@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000602428153 371804139 /nfs/dbraw/zinc/80/41/39/371804139.db2.gz GLVCHJDGABEQDK-VIFPVBQESA-N 1 1 240.263 0.285 20 5 BCBDMO Cn1cc(C[N@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000602428153 371804146 /nfs/dbraw/zinc/80/41/46/371804146.db2.gz GLVCHJDGABEQDK-VIFPVBQESA-N 1 1 240.263 0.285 20 5 BCBDMO Cn1c[nH+]cc1CCn1nccc1[N+](=O)[O-] ZINC000603312491 371882698 /nfs/dbraw/zinc/88/26/98/371882698.db2.gz GJIWBYCMDCOGRY-UHFFFAOYSA-N 1 1 221.220 0.768 20 5 BCBDMO CO[C@@H](C)C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000285681984 384198460 /nfs/dbraw/zinc/19/84/60/384198460.db2.gz NFFPBFLNPYISKT-VIFPVBQESA-N 1 1 242.279 0.758 20 5 BCBDMO CO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000361374003 384690592 /nfs/dbraw/zinc/69/05/92/384690592.db2.gz VUGLSVBPUMQDBC-SNVBAGLBSA-N 1 1 240.263 0.512 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000176190091 385036068 /nfs/dbraw/zinc/03/60/68/385036068.db2.gz YKXPLEAVBHWIPE-SECBINFHSA-N 1 1 240.263 0.248 20 5 BCBDMO C[C@H](O)CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266920270 386696446 /nfs/dbraw/zinc/69/64/46/386696446.db2.gz IEYLMUUOVROIPH-VIFPVBQESA-N 1 1 242.279 0.494 20 5 BCBDMO Cc1[nH]nc(C(=O)N(C)[C@@H](C)C[NH3+])c1[N+](=O)[O-] ZINC000269244072 387174140 /nfs/dbraw/zinc/17/41/40/387174140.db2.gz ZBGFDQKHZNBLDU-YFKPBYRVSA-N 1 1 241.251 0.046 20 5 BCBDMO [NH3+]C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430938734 388730294 /nfs/dbraw/zinc/73/02/94/388730294.db2.gz CTXIHBUIAHOHLO-VIFPVBQESA-N 1 1 239.279 0.072 20 5 BCBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000282330422 388814930 /nfs/dbraw/zinc/81/49/30/388814930.db2.gz AYUJHDJMNUQLAY-UHFFFAOYSA-N 1 1 237.259 0.554 20 5 BCBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(N)=O ZINC000282330422 388814933 /nfs/dbraw/zinc/81/49/33/388814933.db2.gz AYUJHDJMNUQLAY-UHFFFAOYSA-N 1 1 237.259 0.554 20 5 BCBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C3CC3)CC2)nc1 ZINC000273643209 132202249 /nfs/dbraw/zinc/20/22/49/132202249.db2.gz SKSXPMGVUGPCKT-UHFFFAOYSA-N 1 1 249.274 0.669 20 5 BCBDMO Cc1cc(=O)n(Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000128667456 398093188 /nfs/dbraw/zinc/09/31/88/398093188.db2.gz RHGWZWPWGFRVKY-UHFFFAOYSA-N 1 1 248.242 0.847 20 5 BCBDMO CNC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000037224659 173278253 /nfs/dbraw/zinc/27/82/53/173278253.db2.gz FAQHOHLQRMKIRB-QMMMGPOBSA-N 1 1 237.259 0.991 20 5 BCBDMO COCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000267083781 174278782 /nfs/dbraw/zinc/27/87/82/174278782.db2.gz NQPNTWUSVGCMBJ-UHFFFAOYSA-N 1 1 228.252 0.370 20 5 BCBDMO COCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000266898456 174279404 /nfs/dbraw/zinc/27/94/04/174279404.db2.gz HLARAALQVLXTDY-UHFFFAOYSA-N 1 1 228.252 0.370 20 5 BCBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000048871878 323155671 /nfs/dbraw/zinc/15/56/71/323155671.db2.gz YNRFHTLNRVLIIS-UHFFFAOYSA-N 1 1 237.259 0.554 20 5 BCBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000048871878 323155672 /nfs/dbraw/zinc/15/56/72/323155672.db2.gz YNRFHTLNRVLIIS-UHFFFAOYSA-N 1 1 237.259 0.554 20 5 BCBDMO Cn1ncc([N+](=O)[O-])c1NCC[NH+]1CCC1 ZINC000892952560 583017425 /nfs/dbraw/zinc/01/74/25/583017425.db2.gz FPJCSMYHYPYGSD-UHFFFAOYSA-N 1 1 225.252 0.446 20 5 BCBDMO CC(C)[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH2+]1 ZINC000856491191 588874072 /nfs/dbraw/zinc/87/40/72/588874072.db2.gz ZGUJUOQGTXVHRC-KXUCPTDWSA-N 1 1 241.291 0.108 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1Cc2c[nH+]cn2C1 ZINC000894995843 583566190 /nfs/dbraw/zinc/56/61/90/583566190.db2.gz QOOSERZYYBTNMQ-SSDOTTSWSA-N 1 1 248.246 0.562 20 5 BCBDMO C[C@H]1[C@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1C ZINC000895734680 583717421 /nfs/dbraw/zinc/71/74/21/583717421.db2.gz PRBUFDJXDKFONR-JGVFFNPUSA-N 1 1 239.279 0.833 20 5 BCBDMO C[C@@H]1CCC[N@@H+](CCNCC[N+](=O)[O-])C1 ZINC000899871573 584244454 /nfs/dbraw/zinc/24/44/54/584244454.db2.gz RCFNYTAFCOKAPI-SNVBAGLBSA-N 1 1 215.297 0.585 20 5 BCBDMO C[C@@H]1CCCN(CC[NH2+]CC[N+](=O)[O-])C1 ZINC000899871573 584244455 /nfs/dbraw/zinc/24/44/55/584244455.db2.gz RCFNYTAFCOKAPI-SNVBAGLBSA-N 1 1 215.297 0.585 20 5 BCBDMO COC[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000739867987 585082807 /nfs/dbraw/zinc/08/28/07/585082807.db2.gz LJNLJSJLQCUBTC-SECBINFHSA-N 1 1 240.263 0.717 20 5 BCBDMO COC[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000739867987 585082808 /nfs/dbraw/zinc/08/28/08/585082808.db2.gz LJNLJSJLQCUBTC-SECBINFHSA-N 1 1 240.263 0.717 20 5 BCBDMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC000839549997 585330298 /nfs/dbraw/zinc/33/02/98/585330298.db2.gz FKBPVNORVVXGCK-BBBLOLIVSA-N 1 1 241.291 0.108 20 5 BCBDMO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1C ZINC000839719515 585338415 /nfs/dbraw/zinc/33/84/15/585338415.db2.gz ZLAMEPMKNZQWIZ-UTINFBMNSA-N 1 1 241.291 0.203 20 5 BCBDMO O=[N+]([O-])CC[N@@H+](CCO)Cc1ccccc1 ZINC000791051346 585972862 /nfs/dbraw/zinc/97/28/62/585972862.db2.gz BGTBVNZIRSIPPN-UHFFFAOYSA-N 1 1 224.260 0.758 20 5 BCBDMO O=[N+]([O-])CC[N@H+](CCO)Cc1ccccc1 ZINC000791051346 585972863 /nfs/dbraw/zinc/97/28/63/585972863.db2.gz BGTBVNZIRSIPPN-UHFFFAOYSA-N 1 1 224.260 0.758 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000791053885 585973068 /nfs/dbraw/zinc/97/30/68/585973068.db2.gz JOZGMEICASRHFV-QMMMGPOBSA-N 1 1 204.270 0.602 20 5 BCBDMO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000847180333 588308872 /nfs/dbraw/zinc/30/88/72/588308872.db2.gz PMGOGLYKTSMBST-UTINFBMNSA-N 1 1 241.291 0.108 20 5 BCBDMO C[N@H+]1CC[C@@H](CCOC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000847817421 588333602 /nfs/dbraw/zinc/33/36/02/588333602.db2.gz JNRFOAATKCYKBV-IVZWLZJFSA-N 1 1 242.275 0.537 20 5 BCBDMO C[N@@H+]1CC[C@@H](CCOC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000847817421 588333604 /nfs/dbraw/zinc/33/36/04/588333604.db2.gz JNRFOAATKCYKBV-IVZWLZJFSA-N 1 1 242.275 0.537 20 5 BCBDMO C[N@H+]1CC[C@@H](CCOC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000847817421 588333606 /nfs/dbraw/zinc/33/36/06/588333606.db2.gz JNRFOAATKCYKBV-IVZWLZJFSA-N 1 1 242.275 0.537 20 5 BCBDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1(C)C ZINC000848035222 588349032 /nfs/dbraw/zinc/34/90/32/588349032.db2.gz PKICFPJZEUGTPA-RKDXNWHRSA-N 1 1 241.291 0.204 20 5 BCBDMO Cc1c[nH+]cn1CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000860786416 589120287 /nfs/dbraw/zinc/12/02/87/589120287.db2.gz CDZGYUWATJDGRT-QMMMGPOBSA-N 1 1 227.220 0.400 20 5 BCBDMO Cc1c[nH+]cn1CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000860866704 589125088 /nfs/dbraw/zinc/12/50/88/589125088.db2.gz VRBDIWPUXQQXEM-UHFFFAOYSA-N 1 1 241.247 0.790 20 5 BCBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])s1 ZINC000884824363 592022940 /nfs/dbraw/zinc/02/29/40/592022940.db2.gz XEZLWXYILGNVEF-UHFFFAOYSA-N 1 1 245.304 0.992 20 5 BCBDMO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC(O)C1 ZINC000886134410 592160806 /nfs/dbraw/zinc/16/08/06/592160806.db2.gz RJWKZFHKQYGGKF-UHFFFAOYSA-N 1 1 237.259 0.945 20 5 BCBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC(O)C1 ZINC000886134410 592160809 /nfs/dbraw/zinc/16/08/09/592160809.db2.gz RJWKZFHKQYGGKF-UHFFFAOYSA-N 1 1 237.259 0.945 20 5 BCBDMO CO[C@H]1CC[C@H](C)[N@@H+](CC[N+](=O)[O-])C1 ZINC000931474295 634494660 /nfs/dbraw/zinc/49/46/60/634494660.db2.gz LPUKLTIGUUUJNS-IUCAKERBSA-N 1 1 202.254 0.762 20 5 BCBDMO COCCC[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000066371052 632895766 /nfs/dbraw/zinc/89/57/66/632895766.db2.gz KLHVBHQGHYXBOQ-UHFFFAOYSA-N 1 1 228.252 0.717 20 5 BCBDMO COCCC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000066371052 632895768 /nfs/dbraw/zinc/89/57/68/632895768.db2.gz KLHVBHQGHYXBOQ-UHFFFAOYSA-N 1 1 228.252 0.717 20 5 BCBDMO CC[C@H](C)[N@@H+](C)CCNCC[N+](=O)[O-] ZINC000905088814 637589479 /nfs/dbraw/zinc/58/94/79/637589479.db2.gz KMJVUTCNOUZPFG-VIFPVBQESA-N 1 1 203.286 0.583 20 5 BCBDMO Cn1ncc2c1CCC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000905036703 637555598 /nfs/dbraw/zinc/55/55/98/637555598.db2.gz VEWGYDVVBUAQJJ-VIFPVBQESA-N 1 1 224.264 0.664 20 5 BCBDMO CO[C@@H](C[NH2+]CC[N+](=O)[O-])C(F)(F)F ZINC000905118176 637622364 /nfs/dbraw/zinc/62/23/64/637622364.db2.gz RUXRRYDBGDPNAY-YFKPBYRVSA-N 1 1 216.159 0.430 20 5 BCBDMO O=C1NCCc2ccc(C[NH2+]CC[N+](=O)[O-])cc21 ZINC000905205808 637695958 /nfs/dbraw/zinc/69/59/58/637695958.db2.gz AZXPQTIZNLAJOA-UHFFFAOYSA-N 1 1 249.270 0.339 20 5 BCBDMO CC(=O)Nc1ccc(C[NH2+]CC[N+](=O)[O-])cn1 ZINC000905238052 637722622 /nfs/dbraw/zinc/72/26/22/637722622.db2.gz MTVPGAZIOQWXAA-UHFFFAOYSA-N 1 1 238.247 0.406 20 5 BCBDMO CCn1cccc(C[NH2+]CC[N+](=O)[O-])c1=O ZINC000905238955 637724695 /nfs/dbraw/zinc/72/46/95/637724695.db2.gz YPACMIFIRMFGQN-UHFFFAOYSA-N 1 1 225.248 0.235 20 5 BCBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNCC[N+](=O)[O-] ZINC000905242744 637726165 /nfs/dbraw/zinc/72/61/65/637726165.db2.gz KGQNGTNKANRAOF-SNVBAGLBSA-N 1 1 229.324 0.973 20 5 BCBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNCC[N+](=O)[O-] ZINC000905242744 637726170 /nfs/dbraw/zinc/72/61/70/637726170.db2.gz KGQNGTNKANRAOF-SNVBAGLBSA-N 1 1 229.324 0.973 20 5 BCBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])CCN1C1CCC1 ZINC000905399274 637795229 /nfs/dbraw/zinc/79/52/29/637795229.db2.gz OWPQUNKYATVORL-SECBINFHSA-N 1 1 227.264 0.006 20 5 BCBDMO O=[N+]([O-])CC[NH2+]Cc1cnn(CCF)c1 ZINC000905656810 637872895 /nfs/dbraw/zinc/87/28/95/637872895.db2.gz QOWKAKFIUHHPBD-UHFFFAOYSA-N 1 1 216.216 0.219 20 5 BCBDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930267019 639668770 /nfs/dbraw/zinc/66/87/70/639668770.db2.gz FDDRRLOGDINXGP-VHSXEESVSA-N 1 1 216.281 0.889 20 5 BCBDMO CCOC1CC([N@@H+](C)CC[N+](=O)[O-])C1 ZINC000930487587 639777447 /nfs/dbraw/zinc/77/74/47/639777447.db2.gz HZZCOJZIBYZWLG-UHFFFAOYSA-N 1 1 202.254 0.762 20 5 BCBDMO O=C([C@H]1CC[N@H+](CC[N+](=O)[O-])C1)N1CCCC1 ZINC000930490291 639782926 /nfs/dbraw/zinc/78/29/26/639782926.db2.gz QUNZHCIHYFJJHA-JTQLQIEISA-N 1 1 241.291 0.207 20 5 BCBDMO C[N@H+]1CC[C@@]2(CCN(CC[N+](=O)[O-])C2)C1 ZINC000930554507 639810555 /nfs/dbraw/zinc/81/05/55/639810555.db2.gz IQANLQLBPFLSFI-SNVBAGLBSA-N 1 1 213.281 0.291 20 5 BCBDMO C[N@H+]1CC[C@]2(C1)CCCN(CC[N+](=O)[O-])C2 ZINC000930602744 639817161 /nfs/dbraw/zinc/81/71/61/639817161.db2.gz ZFOJNVCBFHMTFN-NSHDSACASA-N 1 1 227.308 0.681 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000930623365 639829000 /nfs/dbraw/zinc/82/90/00/639829000.db2.gz QMYZMEAORXIWAQ-MXWKQRLJSA-N 1 1 228.292 0.889 20 5 BCBDMO CCn1cc([C@H](C)[NH2+]CC[N+](=O)[O-])cn1 ZINC000930655620 639848231 /nfs/dbraw/zinc/84/82/31/639848231.db2.gz IYPYLXOJZUWNRA-QMMMGPOBSA-N 1 1 212.253 0.830 20 5 BCBDMO CC(C)[N@H+]1CC[C@H](N(C)CC[N+](=O)[O-])C1 ZINC000930672128 639855368 /nfs/dbraw/zinc/85/53/68/639855368.db2.gz GVJSOHNVEODZOC-JTQLQIEISA-N 1 1 215.297 0.678 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000930693010 639864002 /nfs/dbraw/zinc/86/40/02/639864002.db2.gz POBDLXCYCMYTEX-SECBINFHSA-N 1 1 214.265 0.643 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000930754270 639897649 /nfs/dbraw/zinc/89/76/49/639897649.db2.gz MYYFLYPKHFZQMZ-JTQLQIEISA-N 1 1 216.281 0.748 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000930758973 639899395 /nfs/dbraw/zinc/89/93/95/639899395.db2.gz HNQULQMQLHPBDH-SECBINFHSA-N 1 1 225.252 0.192 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000930758973 639899396 /nfs/dbraw/zinc/89/93/96/639899396.db2.gz HNQULQMQLHPBDH-SECBINFHSA-N 1 1 225.252 0.192 20 5 BCBDMO CC(C)O[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930812082 639913661 /nfs/dbraw/zinc/91/36/61/639913661.db2.gz SROMHDIYMBYHAV-SECBINFHSA-N 1 1 202.254 0.762 20 5 BCBDMO C[C@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCO ZINC000930972226 640003320 /nfs/dbraw/zinc/00/33/20/640003320.db2.gz YMCDTICWVBCJIK-VHSXEESVSA-N 1 1 216.281 0.746 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000931332269 640160209 /nfs/dbraw/zinc/16/02/09/640160209.db2.gz BQNDKPWJBJAGFM-DJLDLDEBSA-N 1 1 200.238 0.108 20 5 BCBDMO C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CO ZINC000931501407 640235668 /nfs/dbraw/zinc/23/56/68/640235668.db2.gz BDAGIKUVOJALOR-RKDXNWHRSA-N 1 1 202.254 0.356 20 5 BCBDMO O=[N+]([O-])c1cnn(CCN2CCn3cc[nH+]c32)c1 ZINC000931523002 640256009 /nfs/dbraw/zinc/25/60/09/640256009.db2.gz UYJXVGOSFFAARS-UHFFFAOYSA-N 1 1 248.246 0.508 20 5 BCBDMO CCOC(=O)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000932646529 640599925 /nfs/dbraw/zinc/59/99/25/640599925.db2.gz CWOFDKKQTDFZAN-QMMMGPOBSA-N 1 1 216.237 0.148 20 5 BCBDMO CCOC(=O)[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000932646529 640599931 /nfs/dbraw/zinc/59/99/31/640599931.db2.gz CWOFDKKQTDFZAN-QMMMGPOBSA-N 1 1 216.237 0.148 20 5 BCBDMO CCOC(=O)[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000932646527 640600630 /nfs/dbraw/zinc/60/06/30/640600630.db2.gz CWOFDKKQTDFZAN-MRVPVSSYSA-N 1 1 216.237 0.148 20 5 BCBDMO CCOC(=O)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000932646527 640600632 /nfs/dbraw/zinc/60/06/32/640600632.db2.gz CWOFDKKQTDFZAN-MRVPVSSYSA-N 1 1 216.237 0.148 20 5 BCBDMO CCC1(CC)CNC(=O)[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000933282217 640697044 /nfs/dbraw/zinc/69/70/44/640697044.db2.gz QLNUXQRLWFFBMY-MRVPVSSYSA-N 1 1 229.280 0.158 20 5 BCBDMO CCOC(=O)CC[N@@H+](CC[N+](=O)[O-])CC1CC1 ZINC000929417885 641259105 /nfs/dbraw/zinc/25/91/05/641259105.db2.gz WGYFWDPNPVSUBT-UHFFFAOYSA-N 1 1 244.291 0.928 20 5 BCBDMO O=[N+]([O-])CC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000929819198 641680913 /nfs/dbraw/zinc/68/09/13/641680913.db2.gz ICLTUPXNMQRFLI-UHFFFAOYSA-N 1 1 225.252 0.261 20 5 BCBDMO Cc1[nH+]ccn1CCn1ccnc1[N+](=O)[O-] ZINC000918369769 642192747 /nfs/dbraw/zinc/19/27/47/642192747.db2.gz USOHJBDTTMLJFE-UHFFFAOYSA-N 1 1 221.220 0.996 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000929607257 646198806 /nfs/dbraw/zinc/19/88/06/646198806.db2.gz NRHOAPQKRDQXHX-SECBINFHSA-N 1 1 202.254 0.622 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000930063229 646417739 /nfs/dbraw/zinc/41/77/39/646417739.db2.gz XWVQJTVRGMJTEK-LBPRGKRZSA-N 1 1 236.271 0.687 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000930097890 646434691 /nfs/dbraw/zinc/43/46/91/646434691.db2.gz SLGQCSDYJIUHLN-RKDXNWHRSA-N 1 1 202.254 0.356 20 5 BCBDMO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CNOC1 ZINC000705583110 711907216 /nfs/dbraw/zinc/90/72/16/711907216.db2.gz GFKDYLQMNCKXFE-VIFPVBQESA-N 1 1 223.232 0.588 20 5 BCBDMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CNOC2)c1 ZINC000703300704 712071522 /nfs/dbraw/zinc/07/15/22/712071522.db2.gz VTILYBPYBVOCPM-SECBINFHSA-N 1 1 223.232 0.588 20 5 BCBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791053765 712422380 /nfs/dbraw/zinc/42/23/80/712422380.db2.gz GHENQUCUQWOIKI-RKDXNWHRSA-N 1 1 202.254 0.498 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C ZINC000712596619 712436163 /nfs/dbraw/zinc/43/61/63/712436163.db2.gz VIZILNUWROAHKO-SSDOTTSWSA-N 1 1 225.252 0.444 20 5 BCBDMO Cc1nn(C)c(NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000712613970 712437842 /nfs/dbraw/zinc/43/78/42/712437842.db2.gz JCYDKLWFKUZAPZ-QMMMGPOBSA-N 1 1 239.279 0.753 20 5 BCBDMO Cc1nn(C)c(NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000712613970 712437843 /nfs/dbraw/zinc/43/78/43/712437843.db2.gz JCYDKLWFKUZAPZ-QMMMGPOBSA-N 1 1 239.279 0.753 20 5 BCBDMO C[N@H+]1CC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000712538968 712443375 /nfs/dbraw/zinc/44/33/75/712443375.db2.gz YGSKEEPAKHENLM-ZETCQYMHSA-N 1 1 237.263 0.688 20 5 BCBDMO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1O ZINC000351778831 136253801 /nfs/dbraw/zinc/25/38/01/136253801.db2.gz IZTTXSIZWLHLOA-APPZFPTMSA-N 1 1 240.263 0.141 20 5 BCBDMO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1O ZINC000351778831 136253802 /nfs/dbraw/zinc/25/38/02/136253802.db2.gz IZTTXSIZWLHLOA-APPZFPTMSA-N 1 1 240.263 0.141 20 5 BCBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351808701 136370859 /nfs/dbraw/zinc/37/08/59/136370859.db2.gz KGUYTYPZRMZPCZ-PSASIEDQSA-N 1 1 240.263 0.104 20 5 BCBDMO O=[N+]([O-])c1cc(C[NH2+]C(CO)CO)cs1 ZINC000083689886 343657881 /nfs/dbraw/zinc/65/78/81/343657881.db2.gz IGXNVOBRBIKIEY-UHFFFAOYSA-N 1 1 232.261 0.099 20 5 BCBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)CO ZINC000339625465 344671445 /nfs/dbraw/zinc/67/14/45/344671445.db2.gz IBHWWJUOGPXSOC-MRVPVSSYSA-N 1 1 242.279 0.531 20 5 BCBDMO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)CO ZINC000339625465 344671446 /nfs/dbraw/zinc/67/14/46/344671446.db2.gz IBHWWJUOGPXSOC-MRVPVSSYSA-N 1 1 242.279 0.531 20 5 BCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](O)C1 ZINC000061708591 345840644 /nfs/dbraw/zinc/84/06/44/345840644.db2.gz GCMHCIVBBUEUHT-SECBINFHSA-N 1 1 240.263 0.166 20 5 BCBDMO Cc1noc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595400454 348238230 /nfs/dbraw/zinc/23/82/30/348238230.db2.gz LPWMPJSGBNNRKR-POYBYMJQSA-N 1 1 241.247 0.846 20 5 BCBDMO Cc1noc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595400454 348238231 /nfs/dbraw/zinc/23/82/31/348238231.db2.gz LPWMPJSGBNNRKR-POYBYMJQSA-N 1 1 241.247 0.846 20 5 BCBDMO Cc1noc(C[N@@H+]2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595333859 348229201 /nfs/dbraw/zinc/22/92/01/348229201.db2.gz UOQZBERZSNNJPQ-QMMMGPOBSA-N 1 1 241.247 0.705 20 5 BCBDMO Cc1noc(C[N@H+]2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000595333859 348229203 /nfs/dbraw/zinc/22/92/03/348229203.db2.gz UOQZBERZSNNJPQ-QMMMGPOBSA-N 1 1 241.247 0.705 20 5 BCBDMO Cc1[nH+]ccn1CCn1cnc([N+](=O)[O-])c1 ZINC000270909051 180264176 /nfs/dbraw/zinc/26/41/76/180264176.db2.gz HAQPNVCTKRPVBN-UHFFFAOYSA-N 1 1 221.220 0.996 20 5 BCBDMO Cn1c[nH+]cc1CCNc1ncc([N+](=O)[O-])cn1 ZINC000302236544 191119811 /nfs/dbraw/zinc/11/98/11/191119811.db2.gz VVIWGXGOHHJNBV-UHFFFAOYSA-N 1 1 248.246 0.773 20 5 BCBDMO CC[C@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000451158486 202366986 /nfs/dbraw/zinc/36/69/86/202366986.db2.gz ZCVMCSMLCKUIHW-SECBINFHSA-N 1 1 242.279 0.494 20 5 BCBDMO [NH3+]C1(CNCCn2ccc([N+](=O)[O-])n2)CCC1 ZINC000342116379 181331793 /nfs/dbraw/zinc/33/17/93/181331793.db2.gz FOPHEEMICIUTBD-UHFFFAOYSA-N 1 1 239.279 0.262 20 5 BCBDMO NC1(C[NH2+]CCn2ccc([N+](=O)[O-])n2)CCC1 ZINC000342116379 181331795 /nfs/dbraw/zinc/33/17/95/181331795.db2.gz FOPHEEMICIUTBD-UHFFFAOYSA-N 1 1 239.279 0.262 20 5 BCBDMO Cc1nn(C)c(NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000443889433 193032373 /nfs/dbraw/zinc/03/23/73/193032373.db2.gz PNJHKCNLNXINAI-UHFFFAOYSA-N 1 1 239.279 0.754 20 5 BCBDMO Cn1cc(C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000602769815 371838795 /nfs/dbraw/zinc/83/87/95/371838795.db2.gz RSYXALLASKOVTF-SECBINFHSA-N 1 1 240.263 0.285 20 5 BCBDMO Cn1cc(C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])n1 ZINC000602769815 371838796 /nfs/dbraw/zinc/83/87/96/371838796.db2.gz RSYXALLASKOVTF-SECBINFHSA-N 1 1 240.263 0.285 20 5 BCBDMO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1O ZINC000602799782 371842134 /nfs/dbraw/zinc/84/21/34/371842134.db2.gz UBQCKBKOENPRJG-VXNVDRBHSA-N 1 1 240.263 0.141 20 5 BCBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H]1O ZINC000602799782 371842137 /nfs/dbraw/zinc/84/21/37/371842137.db2.gz UBQCKBKOENPRJG-VXNVDRBHSA-N 1 1 240.263 0.141 20 5 BCBDMO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc1 ZINC000236530007 182929659 /nfs/dbraw/zinc/92/96/59/182929659.db2.gz QNIQXVIWMQENDX-GHMZBOCLSA-N 1 1 238.243 0.132 20 5 BCBDMO CCC[N@@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000266951657 169165895 /nfs/dbraw/zinc/16/58/95/169165895.db2.gz ZWKKVUOYPYZDAN-UHFFFAOYSA-N 1 1 242.279 0.496 20 5 BCBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000285288343 384440270 /nfs/dbraw/zinc/44/02/70/384440270.db2.gz KCDVVNSOVAHVBX-UHFFFAOYSA-N 1 1 237.259 0.554 20 5 BCBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000285288343 384440272 /nfs/dbraw/zinc/44/02/72/384440272.db2.gz KCDVVNSOVAHVBX-UHFFFAOYSA-N 1 1 237.259 0.554 20 5 BCBDMO CC[N@@H+](CCOC)CCn1ccc([N+](=O)[O-])n1 ZINC000267059866 386750976 /nfs/dbraw/zinc/75/09/76/386750976.db2.gz IJIWWBHVRLMYRW-UHFFFAOYSA-N 1 1 242.279 0.760 20 5 BCBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOC1 ZINC000267095944 386812895 /nfs/dbraw/zinc/81/28/95/386812895.db2.gz RMWUBLXXYRDREI-VIFPVBQESA-N 1 1 240.263 0.512 20 5 BCBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000304555127 388358587 /nfs/dbraw/zinc/35/85/87/388358587.db2.gz WHIGSTCMADATJU-UHFFFAOYSA-N 1 1 242.279 0.494 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCOCC2)c1 ZINC000369993014 388688301 /nfs/dbraw/zinc/68/83/01/388688301.db2.gz CCSLZHKETCOICK-UHFFFAOYSA-N 1 1 240.263 0.514 20 5 BCBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1O ZINC000351951577 134016790 /nfs/dbraw/zinc/01/67/90/134016790.db2.gz LNHOCVWEZTXBLO-DTWKUNHWSA-N 1 1 240.263 0.104 20 5 BCBDMO C[N@@H+]1CC=C(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000354578539 412245280 /nfs/dbraw/zinc/24/52/80/412245280.db2.gz YVSBTZZLSJKXHA-UHFFFAOYSA-N 1 1 249.274 1.059 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C)C1 ZINC000037647702 173117694 /nfs/dbraw/zinc/11/76/94/173117694.db2.gz RLDZWZHEMRZFFG-QMMMGPOBSA-N 1 1 239.279 0.692 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1C ZINC000049099934 323157667 /nfs/dbraw/zinc/15/76/67/323157667.db2.gz ZSUCDTPASFEBHX-QMMMGPOBSA-N 1 1 239.279 0.834 20 5 BCBDMO CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000566480747 326055684 /nfs/dbraw/zinc/05/56/84/326055684.db2.gz CDPFIFGPSBYBMZ-VIFPVBQESA-N 1 1 242.279 0.412 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC=C[C@H]2CO)n1 ZINC000880485616 583544269 /nfs/dbraw/zinc/54/42/69/583544269.db2.gz DVWACEHHLGDGRW-VIFPVBQESA-N 1 1 238.247 0.024 20 5 BCBDMO C[C@H]1CCC[N@@H+](CCNCC[N+](=O)[O-])C1 ZINC000899871571 584244515 /nfs/dbraw/zinc/24/45/15/584244515.db2.gz RCFNYTAFCOKAPI-JTQLQIEISA-N 1 1 215.297 0.585 20 5 BCBDMO C[C@H]1CCCN(CC[NH2+]CC[N+](=O)[O-])C1 ZINC000899871571 584244516 /nfs/dbraw/zinc/24/45/16/584244516.db2.gz RCFNYTAFCOKAPI-JTQLQIEISA-N 1 1 215.297 0.585 20 5 BCBDMO O=[N+]([O-])CC[NH+]1CC2(C1)CCOCC2 ZINC000899881842 584246194 /nfs/dbraw/zinc/24/61/94/584246194.db2.gz RUWSRQSLFHFFBW-UHFFFAOYSA-N 1 1 200.238 0.376 20 5 BCBDMO O=[N+]([O-])CC[NH+]1CC(C2CCOCC2)C1 ZINC000899885093 584246723 /nfs/dbraw/zinc/24/67/23/584246723.db2.gz GKZUGONCWZLGDP-UHFFFAOYSA-N 1 1 214.265 0.622 20 5 BCBDMO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839650491 585333481 /nfs/dbraw/zinc/33/34/81/585333481.db2.gz UPCRHPGVIRVWMB-NXEZZACHSA-N 1 1 241.291 0.206 20 5 BCBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1C ZINC000839712299 585337917 /nfs/dbraw/zinc/33/79/17/585337917.db2.gz HAWVQUJFZSXDQO-IVZWLZJFSA-N 1 1 241.291 0.204 20 5 BCBDMO NC(=O)CC[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791052958 585972694 /nfs/dbraw/zinc/97/26/94/585972694.db2.gz PZVBXYJYAFEROP-VIFPVBQESA-N 1 1 229.280 0.241 20 5 BCBDMO CC(=O)NC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791052009 585972706 /nfs/dbraw/zinc/97/27/06/585972706.db2.gz JUYFHHWTNKJBLC-SNVBAGLBSA-N 1 1 229.280 0.111 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000798196140 586139951 /nfs/dbraw/zinc/13/99/51/586139951.db2.gz MECIUJLSJPDRHI-GFCCVEGCSA-N 1 1 236.271 0.855 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000798196140 586139952 /nfs/dbraw/zinc/13/99/52/586139952.db2.gz MECIUJLSJPDRHI-GFCCVEGCSA-N 1 1 236.271 0.855 20 5 BCBDMO CN(CCC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840411734 587099335 /nfs/dbraw/zinc/09/93/35/587099335.db2.gz XRMJHKCIJNWXQP-RKDXNWHRSA-N 1 1 229.280 0.062 20 5 BCBDMO CC[NH+](CC)CCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840673715 587916413 /nfs/dbraw/zinc/91/64/13/587916413.db2.gz ZIZWGXVUXYMQQX-NXEZZACHSA-N 1 1 244.291 0.927 20 5 BCBDMO C[NH2+]Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843191392 588091953 /nfs/dbraw/zinc/09/19/53/588091953.db2.gz GUWQXTIQSJCWFK-UHFFFAOYSA-N 1 1 249.230 0.683 20 5 BCBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1 ZINC000884823111 592022679 /nfs/dbraw/zinc/02/26/79/592022679.db2.gz MRMSTLPYNSWLEJ-UHFFFAOYSA-N 1 1 239.275 0.931 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](O)C1 ZINC000885985395 592122316 /nfs/dbraw/zinc/12/23/16/592122316.db2.gz GXEGOKPCGUKKRT-VIFPVBQESA-N 1 1 223.232 0.556 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](O)C1 ZINC000885985395 592122317 /nfs/dbraw/zinc/12/23/17/592122317.db2.gz GXEGOKPCGUKKRT-VIFPVBQESA-N 1 1 223.232 0.556 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000886215661 592178025 /nfs/dbraw/zinc/17/80/25/592178025.db2.gz PFOWAALUISSXMV-URLYPYJESA-N 1 1 249.270 0.660 20 5 BCBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000886215661 592178026 /nfs/dbraw/zinc/17/80/26/592178026.db2.gz PFOWAALUISSXMV-URLYPYJESA-N 1 1 249.270 0.660 20 5 BCBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC[N+](=O)[O-] ZINC000930574804 633904603 /nfs/dbraw/zinc/90/46/03/633904603.db2.gz NDEAXONCLUKTNQ-JTQLQIEISA-N 1 1 215.297 0.535 20 5 BCBDMO CC1(C)C[C@@H](O)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930651118 633987045 /nfs/dbraw/zinc/98/70/45/633987045.db2.gz QUBGYPAJIGODIZ-VIFPVBQESA-N 1 1 216.281 0.746 20 5 BCBDMO NC(=O)c1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905033172 637553837 /nfs/dbraw/zinc/55/38/37/637553837.db2.gz CWYDJUNEORTOLA-UHFFFAOYSA-N 1 1 223.232 0.152 20 5 BCBDMO CN(C)c1ncccc1C[NH2+]CC[N+](=O)[O-] ZINC000905047876 637566004 /nfs/dbraw/zinc/56/60/04/637566004.db2.gz HYGZESOXCXVZLX-UHFFFAOYSA-N 1 1 224.264 0.514 20 5 BCBDMO CC[N@@H+](CCNCC[N+](=O)[O-])C1CC1 ZINC000905098536 637607692 /nfs/dbraw/zinc/60/76/92/637607692.db2.gz UMQCBDGLXQXNCF-UHFFFAOYSA-N 1 1 201.270 0.337 20 5 BCBDMO CCN(CC[NH2+]CC[N+](=O)[O-])C1CC1 ZINC000905098536 637607700 /nfs/dbraw/zinc/60/77/00/637607700.db2.gz UMQCBDGLXQXNCF-UHFFFAOYSA-N 1 1 201.270 0.337 20 5 BCBDMO O=[N+]([O-])CCN[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000905103046 637612095 /nfs/dbraw/zinc/61/20/95/637612095.db2.gz WWFHDWTTYJQVAV-SNVBAGLBSA-N 1 1 213.281 0.337 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000905103046 637612099 /nfs/dbraw/zinc/61/20/99/637612099.db2.gz WWFHDWTTYJQVAV-SNVBAGLBSA-N 1 1 213.281 0.337 20 5 BCBDMO O=c1[nH]c2c(cc1C[NH2+]CC[N+](=O)[O-])CCC2 ZINC000905114267 637620400 /nfs/dbraw/zinc/62/04/00/637620400.db2.gz LXAIRCOYKZQCAI-UHFFFAOYSA-N 1 1 237.259 0.642 20 5 BCBDMO O=[N+]([O-])CC[NH2+]Cc1cnc2n1CCCC2 ZINC000905257339 637714019 /nfs/dbraw/zinc/71/40/19/637714019.db2.gz TYCBTGBPKIAGQP-UHFFFAOYSA-N 1 1 224.264 0.586 20 5 BCBDMO Cc1ccc(C[NH2+]CC[N+](=O)[O-])c(=O)n1C ZINC000905239011 637724295 /nfs/dbraw/zinc/72/42/95/637724295.db2.gz ZXKIPWBRRFWBDD-UHFFFAOYSA-N 1 1 225.248 0.060 20 5 BCBDMO C[C@@H](O)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905380421 637782072 /nfs/dbraw/zinc/78/20/72/637782072.db2.gz GFASEQCFFQFMAW-MWLCHTKSSA-N 1 1 224.260 0.975 20 5 BCBDMO C[C@H](O)[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905380422 637782461 /nfs/dbraw/zinc/78/24/61/637782461.db2.gz GFASEQCFFQFMAW-ONGXEEELSA-N 1 1 224.260 0.975 20 5 BCBDMO Cc1nc(C[NH2+]CC[N+](=O)[O-])ccc1[C@@H](C)O ZINC000905366673 637789735 /nfs/dbraw/zinc/78/97/35/637789735.db2.gz PTSCLWAHJDQAFH-SECBINFHSA-N 1 1 239.275 0.810 20 5 BCBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])CCN1C1CCC1 ZINC000905399276 637795474 /nfs/dbraw/zinc/79/54/74/637795474.db2.gz OWPQUNKYATVORL-VIFPVBQESA-N 1 1 227.264 0.006 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000930376757 639740045 /nfs/dbraw/zinc/74/00/45/639740045.db2.gz OGPDGMMCZRLXIV-JTQLQIEISA-N 1 1 214.265 0.766 20 5 BCBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC[N+](=O)[O-] ZINC000930454634 639757462 /nfs/dbraw/zinc/75/74/62/639757462.db2.gz HQCKIGDUZLELFM-GHMZBOCLSA-N 1 1 243.307 0.058 20 5 BCBDMO CN(CC[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460349 639763259 /nfs/dbraw/zinc/76/32/59/639763259.db2.gz NVUYUNNJMFOCJQ-ZACCUICWSA-N 1 1 227.308 0.820 20 5 BCBDMO C[C@H]1CN(CC[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000930586892 639814370 /nfs/dbraw/zinc/81/43/70/639814370.db2.gz FOOIDOIMBZSHGO-JTQLQIEISA-N 1 1 227.308 0.679 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000930623364 639827715 /nfs/dbraw/zinc/82/77/15/639827715.db2.gz QMYZMEAORXIWAQ-HBNTYKKESA-N 1 1 228.292 0.889 20 5 BCBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000930672136 639855593 /nfs/dbraw/zinc/85/55/93/639855593.db2.gz HBWKNOFKMWMGOQ-DTWKUNHWSA-N 1 1 214.265 0.620 20 5 BCBDMO C[N@H+]1CCN(CC[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000930883498 639970707 /nfs/dbraw/zinc/97/07/07/639970707.db2.gz RLNRLTYNKGMDHW-JTQLQIEISA-N 1 1 229.324 0.925 20 5 BCBDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1CC[N+](=O)[O-] ZINC000930908532 639982091 /nfs/dbraw/zinc/98/20/91/639982091.db2.gz ZEJANYRSWAXOIT-HLTSFMKQSA-N 1 1 229.280 0.237 20 5 BCBDMO C[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])[C@@H]1CCO ZINC000930972224 640006406 /nfs/dbraw/zinc/00/64/06/640006406.db2.gz YMCDTICWVBCJIK-NXEZZACHSA-N 1 1 216.281 0.746 20 5 BCBDMO O=C1CCCN1C[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000931061902 640051735 /nfs/dbraw/zinc/05/17/35/640051735.db2.gz KFBCMMJILKKXMO-JTQLQIEISA-N 1 1 241.291 0.207 20 5 BCBDMO C[C@H]1C[N@@H+](CC[N+](=O)[O-])C[C@@]1(C)CO ZINC000931065044 640054376 /nfs/dbraw/zinc/05/43/76/640054376.db2.gz DZFSHNCPGBYFJR-IUCAKERBSA-N 1 1 202.254 0.213 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000931504650 640236792 /nfs/dbraw/zinc/23/67/92/640236792.db2.gz JJHOAWUFGPDXDM-DCAQKATOSA-N 1 1 228.292 0.889 20 5 BCBDMO C[N@H+]1CC[C@@H]2CN(CC[N+](=O)[O-])CC[C@@H]21 ZINC000931545173 640266389 /nfs/dbraw/zinc/26/63/89/640266389.db2.gz BDJFBKFNLXWQAG-ZJUUUORDSA-N 1 1 213.281 0.289 20 5 BCBDMO C[N@H+]1CC[C@H]2CN(CC[N+](=O)[O-])CC[C@@H]21 ZINC000931545171 640267712 /nfs/dbraw/zinc/26/77/12/640267712.db2.gz BDJFBKFNLXWQAG-UWVGGRQHSA-N 1 1 213.281 0.289 20 5 BCBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CC[N+](=O)[O-] ZINC000931620840 640292696 /nfs/dbraw/zinc/29/26/96/640292696.db2.gz HSKCAILIBNMMPW-NXEZZACHSA-N 1 1 213.281 0.432 20 5 BCBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CC[N+](=O)[O-] ZINC000931718387 640336129 /nfs/dbraw/zinc/33/61/29/640336129.db2.gz YLEVTMDLBNZQMN-VHSXEESVSA-N 1 1 213.281 0.432 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000931748632 640349446 /nfs/dbraw/zinc/34/94/46/640349446.db2.gz CDJLZHFEQGXTCT-SNVBAGLBSA-N 1 1 236.275 0.933 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000931748632 640349453 /nfs/dbraw/zinc/34/94/53/640349453.db2.gz CDJLZHFEQGXTCT-SNVBAGLBSA-N 1 1 236.275 0.933 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000931750982 640350599 /nfs/dbraw/zinc/35/05/99/640350599.db2.gz AUBNVOASWULQAK-UWVGGRQHSA-N 1 1 214.265 0.764 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000931750981 640351046 /nfs/dbraw/zinc/35/10/46/640351046.db2.gz AUBNVOASWULQAK-NXEZZACHSA-N 1 1 214.265 0.764 20 5 BCBDMO COC(=O)[C@@H]1CC[N@H+](CC[N+](=O)[O-])[C@H](C)C1 ZINC000933168147 640674899 /nfs/dbraw/zinc/67/48/99/640674899.db2.gz WXVCVMNUDPVVMD-RKDXNWHRSA-N 1 1 230.264 0.537 20 5 BCBDMO COC(=O)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@H](C)C1 ZINC000933168147 640674902 /nfs/dbraw/zinc/67/49/02/640674902.db2.gz WXVCVMNUDPVVMD-RKDXNWHRSA-N 1 1 230.264 0.537 20 5 BCBDMO O=C1CC[N@@H+](CC[N+](=O)[O-])CCCCCN1 ZINC000934151506 641092440 /nfs/dbraw/zinc/09/24/40/641092440.db2.gz ADSJECYVNOFAPC-UHFFFAOYSA-N 1 1 229.280 0.255 20 5 BCBDMO C[N@H+]1CCC[C@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000916730901 641973309 /nfs/dbraw/zinc/97/33/09/641973309.db2.gz OXPFWTDCTDMLFX-ZETCQYMHSA-N 1 1 211.225 0.281 20 5 BCBDMO C[N@H+]1CC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000928557139 645817418 /nfs/dbraw/zinc/81/74/18/645817418.db2.gz WORZRCBDBDKJDE-SECBINFHSA-N 1 1 243.307 0.642 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1CCO ZINC000930369413 645935460 /nfs/dbraw/zinc/93/54/60/645935460.db2.gz AATLTPSCZBCEJY-JTQLQIEISA-N 1 1 216.281 0.890 20 5 BCBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000929165789 645985496 /nfs/dbraw/zinc/98/54/96/645985496.db2.gz WLMMBOBQVMABPS-SNVBAGLBSA-N 1 1 240.259 0.380 20 5 BCBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000929165789 645985501 /nfs/dbraw/zinc/98/55/01/645985501.db2.gz WLMMBOBQVMABPS-SNVBAGLBSA-N 1 1 240.259 0.380 20 5 BCBDMO COC(=O)CC[N@@H+](CC[N+](=O)[O-])C(C)C ZINC000929635189 646212680 /nfs/dbraw/zinc/21/26/80/646212680.db2.gz LWABVEROMLHZRK-UHFFFAOYSA-N 1 1 218.253 0.537 20 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XAOOLJJOPSXTBR-QMMMGPOBSA-N 1 1 228.252 0.104 20 5 BCBDMO O=[N+]([O-])c1cccc(F)c1C[NH2+]C(CO)CO ZINC000594002903 347983263 /nfs/dbraw/zinc/98/32/63/347983263.db2.gz ULTNBWVCXGOZNW-UHFFFAOYSA-N 1 1 244.222 0.177 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](O)C2)c1 ZINC000205425445 348515384 /nfs/dbraw/zinc/51/53/84/348515384.db2.gz RRYHZHBUPJFIBQ-JTQLQIEISA-N 1 1 240.263 0.248 20 5 BCBDMO Cc1[nH+]ccn1CCn1cccc([N+](=O)[O-])c1=O ZINC000270620590 180265407 /nfs/dbraw/zinc/26/54/07/180265407.db2.gz DEHUALRLASJTLA-UHFFFAOYSA-N 1 1 248.242 0.962 20 5 BCBDMO CC(C)([NH2+]CC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000292067763 188212365 /nfs/dbraw/zinc/21/23/65/188212365.db2.gz DGZSBVMONDSAFV-UHFFFAOYSA-N 1 1 237.259 0.905 20 5 BCBDMO CN(CCn1ccc([N+](=O)[O-])n1)C1CC([NH3+])C1 ZINC000420335156 192214817 /nfs/dbraw/zinc/21/48/17/192214817.db2.gz PHKOFDNKLIBOII-UHFFFAOYSA-N 1 1 239.279 0.213 20 5 BCBDMO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H](C)O ZINC000352187653 134099336 /nfs/dbraw/zinc/09/93/36/134099336.db2.gz SVGJCMAVXNKTDP-QMMMGPOBSA-N 1 1 242.279 0.531 20 5 BCBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C[C@H](C)O ZINC000352187653 134099337 /nfs/dbraw/zinc/09/93/37/134099337.db2.gz SVGJCMAVXNKTDP-QMMMGPOBSA-N 1 1 242.279 0.531 20 5 BCBDMO CC[N@@H+](CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174819045 134282432 /nfs/dbraw/zinc/28/24/32/134282432.db2.gz VBZDRWUNOHVIMY-UHFFFAOYSA-N 1 1 228.252 0.106 20 5 BCBDMO O=C1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000054257044 359736687 /nfs/dbraw/zinc/73/66/87/359736687.db2.gz KBPVEHDFSFOCJJ-UHFFFAOYSA-N 1 1 249.270 0.917 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](F)C2)n1 ZINC000451187373 202373081 /nfs/dbraw/zinc/37/30/81/202373081.db2.gz NFPKWTWNOMEFGX-MRVPVSSYSA-N 1 1 228.227 0.835 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](F)C2)n1 ZINC000451187373 202373083 /nfs/dbraw/zinc/37/30/83/202373083.db2.gz NFPKWTWNOMEFGX-MRVPVSSYSA-N 1 1 228.227 0.835 20 5 BCBDMO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1COC1 ZINC000451286924 202397876 /nfs/dbraw/zinc/39/78/76/202397876.db2.gz QIWNRDGSSJAUSI-UHFFFAOYSA-N 1 1 240.263 0.512 20 5 BCBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1COC1 ZINC000451286924 202397879 /nfs/dbraw/zinc/39/78/79/202397879.db2.gz QIWNRDGSSJAUSI-UHFFFAOYSA-N 1 1 240.263 0.512 20 5 BCBDMO Cn1c[nH+]cc1CCCn1cnc([N+](=O)[O-])n1 ZINC000579130907 366721694 /nfs/dbraw/zinc/72/16/94/366721694.db2.gz VKRLRLHAMUPPQL-UHFFFAOYSA-N 1 1 236.235 0.553 20 5 BCBDMO C[C@@H](CCC[NH3+])NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000581011078 367233840 /nfs/dbraw/zinc/23/38/40/367233840.db2.gz JONZREJVJQKNDO-LURJTMIESA-N 1 1 241.251 0.175 20 5 BCBDMO CC[N@@H+](C)C[C@H](O)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000310407916 370343049 /nfs/dbraw/zinc/34/30/49/370343049.db2.gz OMWWAHNTQBZXSU-VIFPVBQESA-N 1 1 242.279 0.412 20 5 BCBDMO C[N@@H+](C[C@H](O)Cn1ccnc1[N+](=O)[O-])C1CC1 ZINC000601964325 371779907 /nfs/dbraw/zinc/77/99/07/371779907.db2.gz NMRPFAUJHRTSTR-VIFPVBQESA-N 1 1 240.263 0.246 20 5 BCBDMO C[C@H](CCO)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602705457 371832363 /nfs/dbraw/zinc/83/23/63/371832363.db2.gz LHLKGNSYLBJAAO-MRVPVSSYSA-N 1 1 242.279 0.531 20 5 BCBDMO C[C@H](CCO)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602705457 371832369 /nfs/dbraw/zinc/83/23/69/371832369.db2.gz LHLKGNSYLBJAAO-MRVPVSSYSA-N 1 1 242.279 0.531 20 5 BCBDMO Cn1cc(C[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602450869 371805162 /nfs/dbraw/zinc/80/51/62/371805162.db2.gz BTVZISGLTBVOGN-MRVPVSSYSA-N 1 1 240.263 0.143 20 5 BCBDMO Cn1cc(C[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])n1 ZINC000602450869 371805169 /nfs/dbraw/zinc/80/51/69/371805169.db2.gz BTVZISGLTBVOGN-MRVPVSSYSA-N 1 1 240.263 0.143 20 5 BCBDMO Cn1cc(C[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])n1 ZINC000602468020 371806007 /nfs/dbraw/zinc/80/60/07/371806007.db2.gz IIEMGWYSBNTFCI-UHFFFAOYSA-N 1 1 242.279 0.531 20 5 BCBDMO Cn1cc(C[N@@H+](C)CC(C)(C)O)c([N+](=O)[O-])n1 ZINC000602468020 371806016 /nfs/dbraw/zinc/80/60/16/371806016.db2.gz IIEMGWYSBNTFCI-UHFFFAOYSA-N 1 1 242.279 0.531 20 5 BCBDMO CC(C)[N@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602765583 371838177 /nfs/dbraw/zinc/83/81/77/371838177.db2.gz WHCKMVZLQJOTHG-UHFFFAOYSA-N 1 1 242.279 0.531 20 5 BCBDMO CC(C)[N@@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602765583 371838184 /nfs/dbraw/zinc/83/81/84/371838184.db2.gz WHCKMVZLQJOTHG-UHFFFAOYSA-N 1 1 242.279 0.531 20 5 BCBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602799874 371841999 /nfs/dbraw/zinc/84/19/99/371841999.db2.gz QSFSCYCMDXLKGM-IONNQARKSA-N 1 1 240.263 0.283 20 5 BCBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602799874 371842007 /nfs/dbraw/zinc/84/20/07/371842007.db2.gz QSFSCYCMDXLKGM-IONNQARKSA-N 1 1 240.263 0.283 20 5 BCBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC1[N+](=O)[O-] ZINC000378185789 182119319 /nfs/dbraw/zinc/11/93/19/182119319.db2.gz YNIICASACCTCBC-FWLDNGTLSA-N 1 1 239.275 0.051 20 5 BCBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000337286722 182185864 /nfs/dbraw/zinc/18/58/64/182185864.db2.gz GXLZQLUUOXSZJG-UHFFFAOYSA-N 1 1 238.247 0.358 20 5 BCBDMO C[N@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000187655679 384164532 /nfs/dbraw/zinc/16/45/32/384164532.db2.gz BMYDVHOQJDTKIW-SECBINFHSA-N 1 1 237.259 0.708 20 5 BCBDMO C[C@@H]1C[C@H](O)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000340906160 385452736 /nfs/dbraw/zinc/45/27/36/385452736.db2.gz KQWJTCSBJZROAM-SCZZXKLOSA-N 1 1 240.263 0.246 20 5 BCBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC(O)C1 ZINC000353484234 388371012 /nfs/dbraw/zinc/37/10/12/388371012.db2.gz QEANFAZHIFWGOA-UHFFFAOYSA-N 1 1 240.263 0.246 20 5 BCBDMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093092439 388739267 /nfs/dbraw/zinc/73/92/67/388739267.db2.gz QNIQXVIWMQENDX-PHIMTYICSA-N 1 1 238.243 0.132 20 5 BCBDMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093092439 388739269 /nfs/dbraw/zinc/73/92/69/388739269.db2.gz QNIQXVIWMQENDX-PHIMTYICSA-N 1 1 238.243 0.132 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](CO)C2)n1 ZINC000177026559 134293786 /nfs/dbraw/zinc/29/37/86/134293786.db2.gz ACTRXVMXGZCORB-SECBINFHSA-N 1 1 240.263 0.106 20 5 BCBDMO C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000230873033 173033434 /nfs/dbraw/zinc/03/34/34/173033434.db2.gz QMSUFCHWYGXGEG-MRVPVSSYSA-N 1 1 237.263 0.891 20 5 BCBDMO C[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000278714708 173199321 /nfs/dbraw/zinc/19/93/21/173199321.db2.gz JOXLCOVUUMZFNP-DTORHVGOSA-N 1 1 249.274 0.383 20 5 BCBDMO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000340909873 177336797 /nfs/dbraw/zinc/33/67/97/177336797.db2.gz NZGUNFWLKTYDPA-JGVFFNPUSA-N 1 1 240.263 0.283 20 5 BCBDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000340909873 177336798 /nfs/dbraw/zinc/33/67/98/177336798.db2.gz NZGUNFWLKTYDPA-JGVFFNPUSA-N 1 1 240.263 0.283 20 5 BCBDMO Cc1ccn(Cc2[nH+]ccn2C)c(=O)c1[N+](=O)[O-] ZINC000129832987 323160140 /nfs/dbraw/zinc/16/01/40/323160140.db2.gz XWSCYUXEPWVTQH-UHFFFAOYSA-N 1 1 248.242 0.847 20 5 BCBDMO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854653093 588799341 /nfs/dbraw/zinc/79/93/41/588799341.db2.gz WMURLKNWHJGBTN-SGIHWFKDSA-N 1 1 241.291 0.203 20 5 BCBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000893938827 583253979 /nfs/dbraw/zinc/25/39/79/583253979.db2.gz GJWHIWBZXXRDEQ-WPRPVWTQSA-N 1 1 249.274 0.525 20 5 BCBDMO O=C(OCCC[NH+]1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673373 583422592 /nfs/dbraw/zinc/42/25/92/583422592.db2.gz MJKBKBRRCWOQOI-NXEZZACHSA-N 1 1 242.275 0.681 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880486107 583544315 /nfs/dbraw/zinc/54/43/15/583544315.db2.gz LGLRFWWLUGDLDG-SECBINFHSA-N 1 1 238.247 0.024 20 5 BCBDMO O=[N+]([O-])c1cnc(N[C@@H]2Cc3c[nH+]cn3C2)nc1 ZINC000894995422 583566014 /nfs/dbraw/zinc/56/60/14/583566014.db2.gz MDBNZORPKGDIFH-SSDOTTSWSA-N 1 1 246.230 0.618 20 5 BCBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1Cc2c[nH+]cn2C1 ZINC000894997679 583566682 /nfs/dbraw/zinc/56/66/82/583566682.db2.gz XXXGRWUWVVFMCH-SSDOTTSWSA-N 1 1 248.246 0.562 20 5 BCBDMO C[C@H]1C[NH+](CCCNCC[N+](=O)[O-])C[C@H](C)O1 ZINC000899865059 584245172 /nfs/dbraw/zinc/24/51/72/584245172.db2.gz PIFKGFYRTSBFTB-QWRGUYRKSA-N 1 1 245.323 0.352 20 5 BCBDMO C[C@H](C[NH2+]CC[N+](=O)[O-])N1CCCCC1 ZINC000899873992 584245362 /nfs/dbraw/zinc/24/53/62/584245362.db2.gz XCXYWTAXNURYKZ-SNVBAGLBSA-N 1 1 215.297 0.727 20 5 BCBDMO CC(C)(C)[N@H+]1CC[C@H]1CNCC[N+](=O)[O-] ZINC000899890403 584246163 /nfs/dbraw/zinc/24/61/63/584246163.db2.gz BNBIZEIQQOYFKT-VIFPVBQESA-N 1 1 215.297 0.726 20 5 BCBDMO CC(C)(C)N1CC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000899890403 584246166 /nfs/dbraw/zinc/24/61/66/584246166.db2.gz BNBIZEIQQOYFKT-VIFPVBQESA-N 1 1 215.297 0.726 20 5 BCBDMO O=[N+]([O-])CC[NH+]1CC2(C1)CCCOC2 ZINC000899885015 584246439 /nfs/dbraw/zinc/24/64/39/584246439.db2.gz DYAUTWBOATYPEU-UHFFFAOYSA-N 1 1 200.238 0.376 20 5 BCBDMO Cc1ccc(C[NH2+][C@@H]2CNOC2)cc1[N+](=O)[O-] ZINC000904421732 584881930 /nfs/dbraw/zinc/88/19/30/584881930.db2.gz PGDOHNQJBGYHMX-SNVBAGLBSA-N 1 1 237.259 0.896 20 5 BCBDMO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839624256 585332520 /nfs/dbraw/zinc/33/25/20/585332520.db2.gz GFMKZOROIOJEPH-RKDXNWHRSA-N 1 1 229.280 0.108 20 5 BCBDMO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839624256 585332521 /nfs/dbraw/zinc/33/25/21/585332521.db2.gz GFMKZOROIOJEPH-RKDXNWHRSA-N 1 1 229.280 0.108 20 5 BCBDMO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839624256 585332522 /nfs/dbraw/zinc/33/25/22/585332522.db2.gz GFMKZOROIOJEPH-RKDXNWHRSA-N 1 1 229.280 0.108 20 5 BCBDMO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839632749 585333182 /nfs/dbraw/zinc/33/31/82/585333182.db2.gz LBSAINRCRCXEFD-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839690600 585335298 /nfs/dbraw/zinc/33/52/98/585335298.db2.gz YKXDUQRMMOIEND-OPRDCNLKSA-N 1 1 243.307 0.354 20 5 BCBDMO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839692793 585335455 /nfs/dbraw/zinc/33/54/55/585335455.db2.gz XDARFAQTKUOQBY-IWSPIJDZSA-N 1 1 229.280 0.108 20 5 BCBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000839672456 585336342 /nfs/dbraw/zinc/33/63/42/585336342.db2.gz HCDWOXBNJGPEQM-IVZWLZJFSA-N 1 1 241.291 0.110 20 5 BCBDMO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839672456 585336343 /nfs/dbraw/zinc/33/63/43/585336343.db2.gz HCDWOXBNJGPEQM-IVZWLZJFSA-N 1 1 241.291 0.110 20 5 BCBDMO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839672456 585336344 /nfs/dbraw/zinc/33/63/44/585336344.db2.gz HCDWOXBNJGPEQM-IVZWLZJFSA-N 1 1 241.291 0.110 20 5 BCBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1C ZINC000839712301 585337925 /nfs/dbraw/zinc/33/79/25/585337925.db2.gz HAWVQUJFZSXDQO-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO CC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)C1 ZINC000839763236 585339102 /nfs/dbraw/zinc/33/91/02/585339102.db2.gz MEASHIIXXYWYQS-OPRDCNLKSA-N 1 1 241.291 0.204 20 5 BCBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839774544 585341042 /nfs/dbraw/zinc/34/10/42/585341042.db2.gz BVNCABCRTHZFER-OPRDCNLKSA-N 1 1 243.307 0.497 20 5 BCBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839774544 585341043 /nfs/dbraw/zinc/34/10/43/585341043.db2.gz BVNCABCRTHZFER-OPRDCNLKSA-N 1 1 243.307 0.497 20 5 BCBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839774544 585341044 /nfs/dbraw/zinc/34/10/44/585341044.db2.gz BVNCABCRTHZFER-OPRDCNLKSA-N 1 1 243.307 0.497 20 5 BCBDMO O=[N+]([O-])CC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000791052711 585972683 /nfs/dbraw/zinc/97/26/83/585972683.db2.gz ASDHNQHQEGMIAH-VIFPVBQESA-N 1 1 214.265 0.764 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000798196150 586140088 /nfs/dbraw/zinc/14/00/88/586140088.db2.gz MECIUJLSJPDRHI-LBPRGKRZSA-N 1 1 236.271 0.855 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000798196150 586140089 /nfs/dbraw/zinc/14/00/89/586140089.db2.gz MECIUJLSJPDRHI-LBPRGKRZSA-N 1 1 236.271 0.855 20 5 BCBDMO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840357024 586884896 /nfs/dbraw/zinc/88/48/96/586884896.db2.gz NIGQIINOYBYPOL-NXEZZACHSA-N 1 1 243.307 0.452 20 5 BCBDMO C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840473925 587185522 /nfs/dbraw/zinc/18/55/22/587185522.db2.gz CLHIMLWDHGICEY-HTQZYQBOSA-N 1 1 229.280 0.108 20 5 BCBDMO C[N@@H+](CCO)CCNc1ncccc1[N+](=O)[O-] ZINC000884823457 592022901 /nfs/dbraw/zinc/02/29/01/592022901.db2.gz VAEVLXXIIMJLBA-UHFFFAOYSA-N 1 1 240.263 0.326 20 5 BCBDMO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886100137 592154513 /nfs/dbraw/zinc/15/45/13/592154513.db2.gz GOMYAHDFNXEZLM-WPRPVWTQSA-N 1 1 237.259 0.802 20 5 BCBDMO C[C@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC000886100137 592154515 /nfs/dbraw/zinc/15/45/15/592154515.db2.gz GOMYAHDFNXEZLM-WPRPVWTQSA-N 1 1 237.259 0.802 20 5 BCBDMO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886236605 592181883 /nfs/dbraw/zinc/18/18/83/592181883.db2.gz LHGBECADKZOMDV-PSASIEDQSA-N 1 1 237.259 0.945 20 5 BCBDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886236605 592181885 /nfs/dbraw/zinc/18/18/85/592181885.db2.gz LHGBECADKZOMDV-PSASIEDQSA-N 1 1 237.259 0.945 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000886336278 592211452 /nfs/dbraw/zinc/21/14/52/592211452.db2.gz PDFINRJYIWATOV-DTORHVGOSA-N 1 1 222.248 0.743 20 5 BCBDMO O=[N+]([O-])CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000905049240 637567644 /nfs/dbraw/zinc/56/76/44/637567644.db2.gz JDGMTIZJFOZXOK-ZJUUUORDSA-N 1 1 213.281 0.480 20 5 BCBDMO CCC[N@H+]1CC[C@@H](CNCC[N+](=O)[O-])C1 ZINC000905064486 637599858 /nfs/dbraw/zinc/59/98/58/637599858.db2.gz AGYIFJJTDRVIDM-JTQLQIEISA-N 1 1 215.297 0.585 20 5 BCBDMO CC(C)C[N@H+]1CC[C@H](CNCC[N+](=O)[O-])C1 ZINC000905158929 637639988 /nfs/dbraw/zinc/63/99/88/637639988.db2.gz LTBZTXXFXZTJBI-LLVKDONJSA-N 1 1 229.324 0.831 20 5 BCBDMO C[C@@H]1C[C@@H](NCC[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000905160976 637673331 /nfs/dbraw/zinc/67/33/31/637673331.db2.gz RGQODTGAZXLTDB-RKDXNWHRSA-N 1 1 213.281 0.478 20 5 BCBDMO C[C@@H]1C[C@@H]([NH2+]CC[N+](=O)[O-])CN1C1CC1 ZINC000905160976 637673337 /nfs/dbraw/zinc/67/33/37/637673337.db2.gz RGQODTGAZXLTDB-RKDXNWHRSA-N 1 1 213.281 0.478 20 5 BCBDMO C[C@H]1C[N@@H+](CCCNCC[N+](=O)[O-])CCCO1 ZINC000905232340 637691959 /nfs/dbraw/zinc/69/19/59/637691959.db2.gz NQKDNPQMWXOQJZ-NSHDSACASA-N 1 1 245.323 0.354 20 5 BCBDMO CCC[N@@H+](CC)C[C@H](C)NCC[N+](=O)[O-] ZINC000905263657 637717899 /nfs/dbraw/zinc/71/78/99/637717899.db2.gz ODPZWPGFLMPHHO-JTQLQIEISA-N 1 1 217.313 0.973 20 5 BCBDMO O=C1[C@@H]([NH2+]CC[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000905285543 637738581 /nfs/dbraw/zinc/73/85/81/637738581.db2.gz TVLWCBIJQDWDKD-BDAKNGLRSA-N 1 1 227.264 0.006 20 5 BCBDMO CCC[N@H+]1CC[C@H](NCC[N+](=O)[O-])C1 ZINC000905372565 637792066 /nfs/dbraw/zinc/79/20/66/637792066.db2.gz NNZHDPUFOCVOPZ-VIFPVBQESA-N 1 1 201.270 0.337 20 5 BCBDMO CCCN1CC[C@H]([NH2+]CC[N+](=O)[O-])C1 ZINC000905372565 637792067 /nfs/dbraw/zinc/79/20/67/637792067.db2.gz NNZHDPUFOCVOPZ-VIFPVBQESA-N 1 1 201.270 0.337 20 5 BCBDMO C[C@H](O)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000905380417 637782400 /nfs/dbraw/zinc/78/24/00/637782400.db2.gz GFASEQCFFQFMAW-GXSJLCMTSA-N 1 1 224.260 0.975 20 5 BCBDMO CCc1onc(C)c1C[NH2+]CC[N+](=O)[O-] ZINC000905630255 637864264 /nfs/dbraw/zinc/86/42/64/637864264.db2.gz JIIMMNYWJMKUHA-UHFFFAOYSA-N 1 1 213.237 0.912 20 5 BCBDMO CO[C@]1(C)CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930269840 639673283 /nfs/dbraw/zinc/67/32/83/639673283.db2.gz KOTAZBHVSMHPNT-SECBINFHSA-N 1 1 202.254 0.764 20 5 BCBDMO C[C@]1(O)CCC[N@@H+](CC[N+](=O)[O-])CC1 ZINC000930279238 639678214 /nfs/dbraw/zinc/67/82/14/639678214.db2.gz LTTRJDKTMQVGDX-VIFPVBQESA-N 1 1 202.254 0.500 20 5 BCBDMO CC(C)([NH2+]CC[N+](=O)[O-])C(=O)N1CCCC1 ZINC000930300703 639691648 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BCBDMO C[C@]1(O)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000177977041 383993867 /nfs/dbraw/zinc/99/38/67/383993867.db2.gz XPDMTQVADNQOHF-JTQLQIEISA-N 1 1 240.263 0.248 20 5 BCBDMO Cn1c[nH+]cc1CCn1cc([N+](=O)[O-])cn1 ZINC000287634737 385216470 /nfs/dbraw/zinc/21/64/70/385216470.db2.gz VQIFCRCBBCTCAA-UHFFFAOYSA-N 1 1 221.220 0.768 20 5 BCBDMO Nc1cc(Cn2cnc([N+](=O)[O-])n2)cc[nH+]1 ZINC000052733514 385859363 /nfs/dbraw/zinc/85/93/63/385859363.db2.gz DTIVRZXIQFDTSY-UHFFFAOYSA-N 1 1 220.192 0.212 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000408348050 386166079 /nfs/dbraw/zinc/16/60/79/386166079.db2.gz YQZKKPIWABJNIA-SNVBAGLBSA-N 1 1 240.263 0.285 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](C)(O)C1 ZINC000408348050 386166085 /nfs/dbraw/zinc/16/60/85/386166085.db2.gz YQZKKPIWABJNIA-SNVBAGLBSA-N 1 1 240.263 0.285 20 5 BCBDMO CC[N@@H+](CCCO)CCn1ccc([N+](=O)[O-])n1 ZINC000267377116 386762789 /nfs/dbraw/zinc/76/27/89/386762789.db2.gz TYCLSYUUSHZYRW-UHFFFAOYSA-N 1 1 242.279 0.496 20 5 BCBDMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C1C[NH2+]C1 ZINC000593727534 388238864 /nfs/dbraw/zinc/23/88/64/388238864.db2.gz PBWKEHFBWABRGQ-UHFFFAOYSA-N 1 1 237.259 0.704 20 5 BCBDMO CC(C)[N@H+](CCO)Cc1c([N+](=O)[O-])ncn1C ZINC000331234340 388766890 /nfs/dbraw/zinc/76/68/90/388766890.db2.gz JMKGJZMZPJFUHC-UHFFFAOYSA-N 1 1 242.279 0.531 20 5 BCBDMO CC(C)[N@@H+](CCO)Cc1c([N+](=O)[O-])ncn1C ZINC000331234340 388766896 /nfs/dbraw/zinc/76/68/96/388766896.db2.gz JMKGJZMZPJFUHC-UHFFFAOYSA-N 1 1 242.279 0.531 20 5 BCBDMO C[N@@H+](C[C@H](O)Cn1cnc([N+](=O)[O-])c1)C1CC1 ZINC000290505692 172825586 /nfs/dbraw/zinc/82/55/86/172825586.db2.gz BAPSHKNLIVCPDD-VIFPVBQESA-N 1 1 240.263 0.246 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+]1C ZINC000049099937 323157571 /nfs/dbraw/zinc/15/75/71/323157571.db2.gz ZSUCDTPASFEBHX-MRVPVSSYSA-N 1 1 239.279 0.834 20 5 BCBDMO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000567925667 326284277 /nfs/dbraw/zinc/28/42/77/326284277.db2.gz QUCJKTQHCVBJRE-RITPCOANSA-N 1 1 241.251 0.174 20 5 BCBDMO CCn1cc([N+](=O)[O-])c(-c2nc(C[NH3+])no2)n1 ZINC000568629442 326369000 /nfs/dbraw/zinc/36/90/00/326369000.db2.gz GBHHFTDXFSMTPP-UHFFFAOYSA-N 1 1 238.207 0.320 20 5 BCBDMO CC[N@@H+](CCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000049754422 491085212 /nfs/dbraw/zinc/08/52/12/491085212.db2.gz JJXCVVXTJIHSAX-UHFFFAOYSA-N 1 1 242.279 0.414 20 5 BCBDMO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854653092 588799416 /nfs/dbraw/zinc/79/94/16/588799416.db2.gz WMURLKNWHJGBTN-QCLAVDOMSA-N 1 1 241.291 0.203 20 5 BCBDMO CC(C)[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH2+]1 ZINC000856491192 588874005 /nfs/dbraw/zinc/87/40/05/588874005.db2.gz ZGUJUOQGTXVHRC-OPRDCNLKSA-N 1 1 241.291 0.108 20 5 BCBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C ZINC000895768074 583723436 /nfs/dbraw/zinc/72/34/36/583723436.db2.gz VNMOXAKDRLLDQD-SSDOTTSWSA-N 1 1 225.252 0.444 20 5 BCBDMO Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C ZINC000895768074 583723437 /nfs/dbraw/zinc/72/34/37/583723437.db2.gz VNMOXAKDRLLDQD-SSDOTTSWSA-N 1 1 225.252 0.444 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903019253 584713850 /nfs/dbraw/zinc/71/38/50/584713850.db2.gz KUJLPRJKRWUSPZ-SECBINFHSA-N 1 1 237.263 0.240 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903019253 584713851 /nfs/dbraw/zinc/71/38/51/584713851.db2.gz KUJLPRJKRWUSPZ-SECBINFHSA-N 1 1 237.263 0.240 20 5 BCBDMO COC[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000739867990 585082966 /nfs/dbraw/zinc/08/29/66/585082966.db2.gz LJNLJSJLQCUBTC-VIFPVBQESA-N 1 1 240.263 0.717 20 5 BCBDMO COC[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000739867990 585082967 /nfs/dbraw/zinc/08/29/67/585082967.db2.gz LJNLJSJLQCUBTC-VIFPVBQESA-N 1 1 240.263 0.717 20 5 BCBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839578500 585331134 /nfs/dbraw/zinc/33/11/34/585331134.db2.gz ZZZPASIPVCHPBB-SZEHBUNVSA-N 1 1 239.275 0.005 20 5 BCBDMO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839578500 585331135 /nfs/dbraw/zinc/33/11/35/585331135.db2.gz ZZZPASIPVCHPBB-SZEHBUNVSA-N 1 1 239.275 0.005 20 5 BCBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839578500 585331136 /nfs/dbraw/zinc/33/11/36/585331136.db2.gz ZZZPASIPVCHPBB-SZEHBUNVSA-N 1 1 239.275 0.005 20 5 BCBDMO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839632745 585332936 /nfs/dbraw/zinc/33/29/36/585332936.db2.gz LBSAINRCRCXEFD-IVZWLZJFSA-N 1 1 241.291 0.204 20 5 BCBDMO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839734374 585337400 /nfs/dbraw/zinc/33/74/00/585337400.db2.gz UODIGXUYUJPATC-NXEZZACHSA-N 1 1 243.307 0.452 20 5 BCBDMO C[NH+](C)C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000839734827 585337472 /nfs/dbraw/zinc/33/74/72/585337472.db2.gz UGTMUYHLMMINRC-RKDXNWHRSA-N 1 1 241.291 0.252 20 5 BCBDMO CCC[N@@H+](C)C[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000791052412 585972474 /nfs/dbraw/zinc/97/24/74/585972474.db2.gz NFVDJVHOHORPBG-LLVKDONJSA-N 1 1 229.324 0.927 20 5 BCBDMO NC(=O)CC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000791052957 585972735 /nfs/dbraw/zinc/97/27/35/585972735.db2.gz PZVBXYJYAFEROP-SECBINFHSA-N 1 1 229.280 0.241 20 5 BCBDMO CC(C)(C)C[N@@H+](CCCO)CC[N+](=O)[O-] ZINC000791052495 585972930 /nfs/dbraw/zinc/97/29/30/585972930.db2.gz ONMNFRAREUDPTI-UHFFFAOYSA-N 1 1 218.297 0.994 20 5 BCBDMO C[N@H+](CCc1ccccn1)CC[N+](=O)[O-] ZINC000791053798 585973094 /nfs/dbraw/zinc/97/30/94/585973094.db2.gz HFCXGQLTXCSYDN-UHFFFAOYSA-N 1 1 209.249 0.833 20 5 BCBDMO C[N@@H+](CCc1ccccn1)CC[N+](=O)[O-] ZINC000791053798 585973095 /nfs/dbraw/zinc/97/30/95/585973095.db2.gz HFCXGQLTXCSYDN-UHFFFAOYSA-N 1 1 209.249 0.833 20 5 BCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840374624 586933685 /nfs/dbraw/zinc/93/36/85/586933685.db2.gz FBJSKKGVTKFNGT-OPRDCNLKSA-N 1 1 241.291 0.110 20 5 BCBDMO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840374624 586933686 /nfs/dbraw/zinc/93/36/86/586933686.db2.gz FBJSKKGVTKFNGT-OPRDCNLKSA-N 1 1 241.291 0.110 20 5 BCBDMO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840374624 586933687 /nfs/dbraw/zinc/93/36/87/586933687.db2.gz FBJSKKGVTKFNGT-OPRDCNLKSA-N 1 1 241.291 0.110 20 5 BCBDMO C[C@@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000843192451 588092230 /nfs/dbraw/zinc/09/22/30/588092230.db2.gz VLFYYTWCBDIRGK-ZCFIWIBFSA-N 1 1 249.230 0.983 20 5 BCBDMO CC[C@H](C[NH+](C)C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870546777 589673097 /nfs/dbraw/zinc/67/30/97/589673097.db2.gz DWBJWNDLZJDPFQ-IWSPIJDZSA-N 1 1 230.264 0.535 20 5 BCBDMO C[N@@H+](CCO)CCNc1sccc1[N+](=O)[O-] ZINC000884825487 592023351 /nfs/dbraw/zinc/02/33/51/592023351.db2.gz ZLNFNAVSPSUFBI-UHFFFAOYSA-N 1 1 245.304 0.992 20 5 BCBDMO C[C@@H](O)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886020551 592134038 /nfs/dbraw/zinc/13/40/38/592134038.db2.gz CKCLCOXZMGROMH-MRVPVSSYSA-N 1 1 225.248 0.802 20 5 BCBDMO C[C@@H](O)C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886020551 592134040 /nfs/dbraw/zinc/13/40/40/592134040.db2.gz CKCLCOXZMGROMH-MRVPVSSYSA-N 1 1 225.248 0.802 20 5 BCBDMO C[N@H+](CCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886188599 592172796 /nfs/dbraw/zinc/17/27/96/592172796.db2.gz WCOYUVWQEJIQTP-UHFFFAOYSA-N 1 1 225.248 0.804 20 5 BCBDMO C[N@@H+](CCCO)Cc1cccnc1[N+](=O)[O-] ZINC000886188599 592172799 /nfs/dbraw/zinc/17/27/99/592172799.db2.gz WCOYUVWQEJIQTP-UHFFFAOYSA-N 1 1 225.248 0.804 20 5 BCBDMO COC(=O)CC[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931620312 635127263 /nfs/dbraw/zinc/12/72/63/635127263.db2.gz QEMJEHBVJSOBQO-SNVBAGLBSA-N 1 1 244.291 0.928 20 5 BCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]1CO ZINC000934015585 631611528 /nfs/dbraw/zinc/61/15/28/631611528.db2.gz PEHWOCUELOBHFL-SECBINFHSA-N 1 1 240.263 0.166 20 5 BCBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CC[N+](=O)[O-] ZINC000930574805 633903850 /nfs/dbraw/zinc/90/38/50/633903850.db2.gz NDEAXONCLUKTNQ-SNVBAGLBSA-N 1 1 215.297 0.535 20 5 BCBDMO CC(=O)NC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000931339442 634364139 /nfs/dbraw/zinc/36/41/39/634364139.db2.gz XTZRZCRDZHXASN-SNVBAGLBSA-N 1 1 229.280 0.254 20 5 BCBDMO CC(=O)NC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000931339442 634364147 /nfs/dbraw/zinc/36/41/47/634364147.db2.gz XTZRZCRDZHXASN-SNVBAGLBSA-N 1 1 229.280 0.254 20 5 BCBDMO Cn1ccc([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000932129946 635588978 /nfs/dbraw/zinc/58/89/78/635588978.db2.gz LHSVYFKDVWTAGY-JTQLQIEISA-N 1 1 238.291 0.876 20 5 BCBDMO Cn1ccc([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000932129946 635588986 /nfs/dbraw/zinc/58/89/86/635588986.db2.gz LHSVYFKDVWTAGY-JTQLQIEISA-N 1 1 238.291 0.876 20 5 BCBDMO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C(CO)CO ZINC000087753330 636181294 /nfs/dbraw/zinc/18/12/94/636181294.db2.gz QAVBKAIQCQCBHO-UHFFFAOYSA-N 1 1 244.222 0.177 20 5 BCBDMO C[C@H](CN1CCCCC1)[NH2+]CC[N+](=O)[O-] ZINC000905033996 637553544 /nfs/dbraw/zinc/55/35/44/637553544.db2.gz HEACYJCBRXVAMO-SNVBAGLBSA-N 1 1 215.297 0.727 20 5 BCBDMO Cn1ncc2c1CCC[C@H]2[NH2+]CC[N+](=O)[O-] ZINC000905036702 637557067 /nfs/dbraw/zinc/55/70/67/637557067.db2.gz VEWGYDVVBUAQJJ-SECBINFHSA-N 1 1 224.264 0.664 20 5 BCBDMO C[C@@H](CNCC[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000905049750 637566490 /nfs/dbraw/zinc/56/64/90/637566490.db2.gz PXIDYPXRBJSSKC-QWRGUYRKSA-N 1 1 229.324 0.973 20 5 BCBDMO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000905049750 637566496 /nfs/dbraw/zinc/56/64/96/637566496.db2.gz PXIDYPXRBJSSKC-QWRGUYRKSA-N 1 1 229.324 0.973 20 5 BCBDMO O=[N+]([O-])CCN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000905047739 637567539 /nfs/dbraw/zinc/56/75/39/637567539.db2.gz VWYOQLOMVGJETN-VHSXEESVSA-N 1 1 213.281 0.480 20 5 BCBDMO O=[N+]([O-])CCNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000905058947 637594529 /nfs/dbraw/zinc/59/45/29/637594529.db2.gz LARIYCDKLMWFLU-SECBINFHSA-N 1 1 213.281 0.337 20 5 BCBDMO CC(C)C[C@@H](C[NH+](C)C)NCC[N+](=O)[O-] ZINC000905060101 637596994 /nfs/dbraw/zinc/59/69/94/637596994.db2.gz KEBXQXSNDYGQSE-JTQLQIEISA-N 1 1 217.313 0.829 20 5 BCBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NCC[N+](=O)[O-] ZINC000905068361 637601762 /nfs/dbraw/zinc/60/17/62/637601762.db2.gz OICRNGPPZYBPHD-WDEREUQCSA-N 1 1 229.324 0.973 20 5 BCBDMO CO[C@H](C[NH2+]CC[N+](=O)[O-])C(F)(F)F ZINC000905118078 637621718 /nfs/dbraw/zinc/62/17/18/637621718.db2.gz RUXRRYDBGDPNAY-RXMQYKEDSA-N 1 1 216.159 0.430 20 5 BCBDMO CC(C)(C)OC(=O)N1CC([NH2+]CC[N+](=O)[O-])C1 ZINC000905122036 637627393 /nfs/dbraw/zinc/62/73/93/637627393.db2.gz JLLZVQFCYRUWGS-UHFFFAOYSA-N 1 1 245.279 0.472 20 5 BCBDMO C[C@@H]1C[N@@H+](CCCNCC[N+](=O)[O-])CCCO1 ZINC000905232339 637691900 /nfs/dbraw/zinc/69/19/00/637691900.db2.gz NQKDNPQMWXOQJZ-LLVKDONJSA-N 1 1 245.323 0.354 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000905264548 637717133 /nfs/dbraw/zinc/71/71/33/637717133.db2.gz TUVHZBIPAGPAND-SSDOTTSWSA-N 1 1 210.237 0.133 20 5 BCBDMO O=C1[C@H]([NH2+]CC[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000905285545 637737796 /nfs/dbraw/zinc/73/77/96/637737796.db2.gz TVLWCBIJQDWDKD-DTWKUNHWSA-N 1 1 227.264 0.006 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000905372914 637791998 /nfs/dbraw/zinc/79/19/98/637791998.db2.gz LNGNLBBQMRMAET-ONGXEEELSA-N 1 1 238.243 0.347 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000905372913 637792248 /nfs/dbraw/zinc/79/22/48/637792248.db2.gz LNGNLBBQMRMAET-MWLCHTKSSA-N 1 1 238.243 0.347 20 5 BCBDMO O=[N+]([O-])CCNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000905397317 637795764 /nfs/dbraw/zinc/79/57/64/637795764.db2.gz VWEUDUPYQIYJOT-LLVKDONJSA-N 1 1 227.308 0.870 20 5 BCBDMO O=[N+]([O-])CC[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000905397317 637795765 /nfs/dbraw/zinc/79/57/65/637795765.db2.gz VWEUDUPYQIYJOT-LLVKDONJSA-N 1 1 227.308 0.870 20 5 BCBDMO C[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905971881 637986937 /nfs/dbraw/zinc/98/69/37/637986937.db2.gz DNEGIIJBUOQSEN-PSASIEDQSA-N 1 1 240.263 0.246 20 5 BCBDMO CC1(C)C[N@H+](CC[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000930294748 639686834 /nfs/dbraw/zinc/68/68/34/639686834.db2.gz DEHQUIOTDGXURE-NSHDSACASA-N 1 1 244.291 0.533 20 5 BCBDMO CC1(C)C[N@@H+](CC[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000930294748 639686839 /nfs/dbraw/zinc/68/68/39/639686839.db2.gz DEHQUIOTDGXURE-NSHDSACASA-N 1 1 244.291 0.533 20 5 BCBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930369701 639736289 /nfs/dbraw/zinc/73/62/89/639736289.db2.gz GTSRJHZINIROCJ-SNVBAGLBSA-N 1 1 243.307 0.644 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000930376762 639740875 /nfs/dbraw/zinc/74/08/75/639740875.db2.gz OGPDGMMCZRLXIV-SNVBAGLBSA-N 1 1 214.265 0.766 20 5 BCBDMO CC[N@H+]1CCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930452499 639756423 /nfs/dbraw/zinc/75/64/23/639756423.db2.gz LXQQUZAYOGYMJP-VIFPVBQESA-N 1 1 201.270 0.289 20 5 BCBDMO CCC[C@]1(CO)CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930503804 639774932 /nfs/dbraw/zinc/77/49/32/639774932.db2.gz FSNBKVMZEATHRJ-JTQLQIEISA-N 1 1 216.281 0.748 20 5 BCBDMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC[N+](=O)[O-] ZINC000930491019 639781362 /nfs/dbraw/zinc/78/13/62/639781362.db2.gz KRDMJBRXDXLKPM-SECBINFHSA-N 1 1 245.279 0.474 20 5 BCBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC[N+](=O)[O-] ZINC000930491019 639781369 /nfs/dbraw/zinc/78/13/69/639781369.db2.gz KRDMJBRXDXLKPM-SECBINFHSA-N 1 1 245.279 0.474 20 5 BCBDMO O=C([C@@H]1CC[N@H+](CC[N+](=O)[O-])C1)N1CCCC1 ZINC000930490292 639782223 /nfs/dbraw/zinc/78/22/23/639782223.db2.gz QUNZHCIHYFJJHA-SNVBAGLBSA-N 1 1 241.291 0.207 20 5 BCBDMO CC[N@H+]1CC[C@H]2OCCN(CC[N+](=O)[O-])[C@H]2C1 ZINC000930578785 639813134 /nfs/dbraw/zinc/81/31/34/639813134.db2.gz YIWLFDGJVOYIGH-WDEREUQCSA-N 1 1 243.307 0.058 20 5 BCBDMO C[N@H+]1CCC[C@@]2(CCN(CC[N+](=O)[O-])C2)C1 ZINC000930576748 639813254 /nfs/dbraw/zinc/81/32/54/639813254.db2.gz MTPYLDDBNQGFEF-LLVKDONJSA-N 1 1 227.308 0.681 20 5 BCBDMO CO[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1C ZINC000930634848 639833293 /nfs/dbraw/zinc/83/32/93/639833293.db2.gz OQEDJDAOWZKAMT-DTWKUNHWSA-N 1 1 202.254 0.620 20 5 BCBDMO CCn1cc([C@@H](C)[NH2+]CC[N+](=O)[O-])cn1 ZINC000930655619 639848744 /nfs/dbraw/zinc/84/87/44/639848744.db2.gz IYPYLXOJZUWNRA-MRVPVSSYSA-N 1 1 212.253 0.830 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000930675911 639858645 /nfs/dbraw/zinc/85/86/45/639858645.db2.gz ROYYJSMNGWQABN-SECBINFHSA-N 1 1 202.254 0.358 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000930929582 639992906 /nfs/dbraw/zinc/99/29/06/639992906.db2.gz SAZFQONXDYNYNF-KXUCPTDWSA-N 1 1 214.265 0.356 20 5 BCBDMO O=C1CCCN1C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000931061903 640050032 /nfs/dbraw/zinc/05/00/32/640050032.db2.gz KFBCMMJILKKXMO-SNVBAGLBSA-N 1 1 241.291 0.207 20 5 BCBDMO COC(=O)NC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000931078320 640059966 /nfs/dbraw/zinc/05/99/66/640059966.db2.gz CGBQBWHLEPKVHL-UHFFFAOYSA-N 1 1 231.252 0.084 20 5 BCBDMO O=C1CC[N@@H+](CC[N+](=O)[O-])CCCCCCN1 ZINC000931467887 640227209 /nfs/dbraw/zinc/22/72/09/640227209.db2.gz PCGZOGIWDZBKCR-UHFFFAOYSA-N 1 1 243.307 0.645 20 5 BCBDMO O=[N+]([O-])CC[NH2+][C@H]1CCCn2nccc21 ZINC000931569146 640277411 /nfs/dbraw/zinc/27/74/11/640277411.db2.gz HTCIMAVYVATYCK-QMMMGPOBSA-N 1 1 210.237 0.584 20 5 BCBDMO CC(C)(O)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931610661 640287822 /nfs/dbraw/zinc/28/78/22/640287822.db2.gz DKWAWCGCORZKKK-SECBINFHSA-N 1 1 216.281 0.746 20 5 BCBDMO O=C1CC2(CCC2)[N@@H+](CC[N+](=O)[O-])CCN1 ZINC000931622175 640293327 /nfs/dbraw/zinc/29/33/27/640293327.db2.gz XBZSOFJOFZDSIY-UHFFFAOYSA-N 1 1 227.264 0.008 20 5 BCBDMO O=C1NCCC2(CC[NH+](CC[N+](=O)[O-])CC2)O1 ZINC000932757548 640608279 /nfs/dbraw/zinc/60/82/79/640608279.db2.gz MNVMPWRJWWSWTG-UHFFFAOYSA-N 1 1 243.263 0.228 20 5 BCBDMO C[C@]12CSC[C@H]1C[N@@H+](CC[N+](=O)[O-])C2 ZINC000934770231 641263576 /nfs/dbraw/zinc/26/35/76/641263576.db2.gz XMSDEUXNNKPNAQ-BDAKNGLRSA-N 1 1 216.306 0.948 20 5 BCBDMO O=[N+]([O-])c1nccn1CCC[NH+]1CCOCC1 ZINC000918361429 642187025 /nfs/dbraw/zinc/18/70/25/642187025.db2.gz YNLYOVMHTYQGSK-UHFFFAOYSA-N 1 1 240.263 0.514 20 5 BCBDMO C[C@@H](O)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930059947 642298926 /nfs/dbraw/zinc/29/89/26/642298926.db2.gz HBISYQUAWNWLBT-RKDXNWHRSA-N 1 1 202.254 0.356 20 5 BCBDMO C[C@@H](O)[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930059943 642299052 /nfs/dbraw/zinc/29/90/52/642299052.db2.gz HBISYQUAWNWLBT-BDAKNGLRSA-N 1 1 202.254 0.356 20 5 BCBDMO Cc1nccn1CCC[N@H+](C)CC[N+](=O)[O-] ZINC000930059838 642300281 /nfs/dbraw/zinc/30/02/81/642300281.db2.gz GYISBXSCKMEDCT-UHFFFAOYSA-N 1 1 226.280 0.790 20 5 BCBDMO CC[N@@H+](CCC(=O)OC)CC[N+](=O)[O-] ZINC000929417683 646115886 /nfs/dbraw/zinc/11/58/86/646115886.db2.gz STJHHQNLTAQWNO-UHFFFAOYSA-N 1 1 204.226 0.148 20 5 BCBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929622987 646200575 /nfs/dbraw/zinc/20/05/75/646200575.db2.gz UAPCKSXGARAJAL-SNVBAGLBSA-N 1 1 241.291 0.350 20 5 BCBDMO O=C1CCCN1[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929622987 646200578 /nfs/dbraw/zinc/20/05/78/646200578.db2.gz UAPCKSXGARAJAL-SNVBAGLBSA-N 1 1 241.291 0.350 20 5 BCBDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CC[N+](=O)[O-])C1 ZINC000929794603 646324448 /nfs/dbraw/zinc/32/44/48/646324448.db2.gz FBMFAWFJXDXQBL-VIFPVBQESA-N 1 1 244.291 0.927 20 5 BCBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929794603 646324452 /nfs/dbraw/zinc/32/44/52/646324452.db2.gz FBMFAWFJXDXQBL-VIFPVBQESA-N 1 1 244.291 0.927 20 5 BCBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CC[N+](=O)[O-] ZINC000930176918 646479488 /nfs/dbraw/zinc/47/94/88/646479488.db2.gz GYDLCICOQMWLOJ-IUCAKERBSA-N 1 1 201.270 0.288 20 5 BCBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[N+](=O)[O-] ZINC000930176921 646481081 /nfs/dbraw/zinc/48/10/81/646481081.db2.gz GYDLCICOQMWLOJ-RKDXNWHRSA-N 1 1 201.270 0.288 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C ZINC000712596622 712436263 /nfs/dbraw/zinc/43/62/63/712436263.db2.gz VIZILNUWROAHKO-ZETCQYMHSA-N 1 1 225.252 0.444 20 5 BCBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CNOC2)cc1 ZINC000703306385 712071101 /nfs/dbraw/zinc/07/11/01/712071101.db2.gz RISXRHBYQBYOOB-SECBINFHSA-N 1 1 223.232 0.588 20 5 BCBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791053763 712422163 /nfs/dbraw/zinc/42/21/63/712422163.db2.gz GHENQUCUQWOIKI-IUCAKERBSA-N 1 1 202.254 0.498 20 5 BCBDMO C[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000712594037 712435426 /nfs/dbraw/zinc/43/54/26/712435426.db2.gz KCOWKEKFXUGIND-SSDOTTSWSA-N 1 1 223.236 0.501 20 5 BCBDMO NC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000152435737 344562218 /nfs/dbraw/zinc/56/22/18/344562218.db2.gz MSKGZECQABDHCI-UHFFFAOYSA-N 1 1 235.243 0.702 20 5 BCBDMO [NH3+][C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725214 347937346 /nfs/dbraw/zinc/93/73/46/347937346.db2.gz ISRDBLKEGKINIY-SECBINFHSA-N 1 1 237.259 0.833 20 5 BCBDMO Cc1noc(C[N@@H+]2CC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000595333856 348229237 /nfs/dbraw/zinc/22/92/37/348229237.db2.gz UOQZBERZSNNJPQ-MRVPVSSYSA-N 1 1 241.247 0.705 20 5 BCBDMO Cc1noc(C[N@H+]2CC[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000595333856 348229239 /nfs/dbraw/zinc/22/92/39/348229239.db2.gz UOQZBERZSNNJPQ-MRVPVSSYSA-N 1 1 241.247 0.705 20 5 BCBDMO Cc1nc(NCC(F)(F)C[NH3+])ncc1[N+](=O)[O-] ZINC000420249397 192186410 /nfs/dbraw/zinc/18/64/10/192186410.db2.gz XPBGODQOAFPVHK-UHFFFAOYSA-N 1 1 247.205 0.699 20 5 BCBDMO NC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000048027101 181281621 /nfs/dbraw/zinc/28/16/21/181281621.db2.gz PTNUIXDSJOABNI-JTQLQIEISA-N 1 1 249.270 0.902 20 5 BCBDMO CC[NH2+]CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000579004496 366692601 /nfs/dbraw/zinc/69/26/01/366692601.db2.gz FFTXFKRWVKEJLF-UHFFFAOYSA-N 1 1 241.251 0.047 20 5 BCBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000162596202 181358101 /nfs/dbraw/zinc/35/81/01/181358101.db2.gz KYWISPLOKAHVLF-UHFFFAOYSA-N 1 1 248.189 0.247 20 5 BCBDMO Cn1cc[nH+]c1Cn1cc([N+](=O)[O-])ccc1=O ZINC000059013546 368528545 /nfs/dbraw/zinc/52/85/45/368528545.db2.gz XPVHNBCUKCAECA-UHFFFAOYSA-N 1 1 234.215 0.538 20 5 BCBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](C)CO ZINC000123152079 369400453 /nfs/dbraw/zinc/40/04/53/369400453.db2.gz DGDMOIZSAPKKOH-QMMMGPOBSA-N 1 1 242.279 0.412 20 5 BCBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000351808705 371661829 /nfs/dbraw/zinc/66/18/29/371661829.db2.gz KGUYTYPZRMZPCZ-WCBMZHEXSA-N 1 1 240.263 0.104 20 5 BCBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000351808703 371662325 /nfs/dbraw/zinc/66/23/25/371662325.db2.gz KGUYTYPZRMZPCZ-SCZZXKLOSA-N 1 1 240.263 0.104 20 5 BCBDMO CC[N@H+](CCOC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441617 371804803 /nfs/dbraw/zinc/80/48/03/371804803.db2.gz OOJVLOWOXPMAKF-UHFFFAOYSA-N 1 1 242.279 0.797 20 5 BCBDMO CC[N@@H+](CCOC)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441617 371804809 /nfs/dbraw/zinc/80/48/09/371804809.db2.gz OOJVLOWOXPMAKF-UHFFFAOYSA-N 1 1 242.279 0.797 20 5 BCBDMO C[C@H](O)CC[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602473095 371809341 /nfs/dbraw/zinc/80/93/41/371809341.db2.gz JREGOOMGYYREDX-QMMMGPOBSA-N 1 1 242.279 0.531 20 5 BCBDMO C[C@H](O)CC[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602473095 371809349 /nfs/dbraw/zinc/80/93/49/371809349.db2.gz JREGOOMGYYREDX-QMMMGPOBSA-N 1 1 242.279 0.531 20 5 BCBDMO Cc1cc([N+](=O)[O-])cn(Cc2cn(C)c[nH+]2)c1=O ZINC000603332193 371885694 /nfs/dbraw/zinc/88/56/94/371885694.db2.gz KEGYRGRDSDBIRC-UHFFFAOYSA-N 1 1 248.242 0.847 20 5 BCBDMO C[N@@H+](C[C@@H](O)Cn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000310426751 384165518 /nfs/dbraw/zinc/16/55/18/384165518.db2.gz MBESDKFSXQJUOI-SECBINFHSA-N 1 1 240.263 0.246 20 5 BCBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000176206265 384466829 /nfs/dbraw/zinc/46/68/29/384466829.db2.gz GQPVFRHUBRCJRD-UHFFFAOYSA-N 1 1 210.237 0.886 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000176218966 384482451 /nfs/dbraw/zinc/48/24/51/384482451.db2.gz YOGOUSPXJXULBI-SECBINFHSA-N 1 1 240.263 0.248 20 5 BCBDMO C[N@@H+](CCNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000062010274 385023068 /nfs/dbraw/zinc/02/30/68/385023068.db2.gz RCMDTUWYMPQACE-UHFFFAOYSA-N 1 1 237.263 0.891 20 5 BCBDMO O=[N+]([O-])c1cccc(C[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000236530242 385149463 /nfs/dbraw/zinc/14/94/63/385149463.db2.gz KYMLLTWYRAKBNG-GHMZBOCLSA-N 1 1 238.243 0.132 20 5 BCBDMO O=[N+]([O-])c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000236593403 385177828 /nfs/dbraw/zinc/17/78/28/385177828.db2.gz QNIQXVIWMQENDX-QWRGUYRKSA-N 1 1 238.243 0.132 20 5 BCBDMO C[C@@H]1C[C@H](O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000340886772 385215355 /nfs/dbraw/zinc/21/53/55/385215355.db2.gz DHVKEIXQJYJISO-BDAKNGLRSA-N 1 1 240.263 0.246 20 5 BCBDMO C[N@H+]1CC[C@@H](Cn2cnc([N+](=O)[O-])n2)C1 ZINC000187681095 134476052 /nfs/dbraw/zinc/47/60/52/134476052.db2.gz OTXCVZPIXBXPBH-SSDOTTSWSA-N 1 1 211.225 0.138 20 5 BCBDMO CO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000267708401 386469467 /nfs/dbraw/zinc/46/94/67/386469467.db2.gz VUGLSVBPUMQDBC-JTQLQIEISA-N 1 1 240.263 0.512 20 5 BCBDMO CO[C@@H](C)C[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000353200116 388368388 /nfs/dbraw/zinc/36/83/88/388368388.db2.gz AVGVAPMDMULEBZ-VIFPVBQESA-N 1 1 242.279 0.758 20 5 BCBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCOCC2)n1 ZINC000368539020 388682708 /nfs/dbraw/zinc/68/27/08/388682708.db2.gz NYZZSVJRSKMVPG-UHFFFAOYSA-N 1 1 240.263 0.514 20 5 BCBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCO)C2 ZINC000153022942 388920961 /nfs/dbraw/zinc/92/09/61/388920961.db2.gz WAELNXLXFGRVTJ-UHFFFAOYSA-N 1 1 222.244 0.945 20 5 BCBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCO)C2 ZINC000153022942 388920963 /nfs/dbraw/zinc/92/09/63/388920963.db2.gz WAELNXLXFGRVTJ-UHFFFAOYSA-N 1 1 222.244 0.945 20 5 BCBDMO CCNC(=O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000035135893 170064474 /nfs/dbraw/zinc/06/44/74/170064474.db2.gz WJKLQOUYDDRSPX-UHFFFAOYSA-N 1 1 237.259 0.821 20 5 BCBDMO Cn1cnc([N+](=O)[O-])c1N1CCC[N@@H+](C)CC1 ZINC000008317652 173018346 /nfs/dbraw/zinc/01/83/46/173018346.db2.gz PHXVNJAGXJNCNI-UHFFFAOYSA-N 1 1 239.279 0.470 20 5 BCBDMO CNC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000037224660 173278617 /nfs/dbraw/zinc/27/86/17/173278617.db2.gz FAQHOHLQRMKIRB-MRVPVSSYSA-N 1 1 237.259 0.991 20 5 BCBDMO COCCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176218721 174216243 /nfs/dbraw/zinc/21/62/43/174216243.db2.gz BVVOMXDHJLDEFU-UHFFFAOYSA-N 1 1 242.279 0.760 20 5 BCBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000566480746 326055949 /nfs/dbraw/zinc/05/59/49/326055949.db2.gz CDPFIFGPSBYBMZ-SECBINFHSA-N 1 1 242.279 0.412 20 5 BCBDMO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854653090 588799336 /nfs/dbraw/zinc/79/93/36/588799336.db2.gz WMURLKNWHJGBTN-DOLQZWNJSA-N 1 1 241.291 0.203 20 5 BCBDMO CC[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000856407368 588871854 /nfs/dbraw/zinc/87/18/54/588871854.db2.gz PTESHPYTURTEOY-SGIHWFKDSA-N 1 1 241.291 0.251 20 5 BCBDMO Cn1cc(C[N@@H+]2CC[C@H]3C[C@H]32)c([N+](=O)[O-])n1 ZINC000878316263 583370022 /nfs/dbraw/zinc/37/00/22/583370022.db2.gz HSOJIAZEHISOLB-IONNQARKSA-N 1 1 222.248 0.923 20 5 BCBDMO Cn1cc(C[N@H+]2CC[C@H]3C[C@H]32)c([N+](=O)[O-])n1 ZINC000878316263 583370023 /nfs/dbraw/zinc/37/00/23/583370023.db2.gz HSOJIAZEHISOLB-IONNQARKSA-N 1 1 222.248 0.923 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000791051379 583383719 /nfs/dbraw/zinc/38/37/19/583383719.db2.gz CEWKCQNHXLIKRD-SECBINFHSA-N 1 1 224.264 0.866 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000791051379 583383720 /nfs/dbraw/zinc/38/37/20/583383720.db2.gz CEWKCQNHXLIKRD-SECBINFHSA-N 1 1 224.264 0.866 20 5 BCBDMO C[C@H]1[C@@H](Nc2c([N+](=O)[O-])cnn2C)CC[N@H+]1C ZINC000895734682 583716942 /nfs/dbraw/zinc/71/69/42/583716942.db2.gz PRBUFDJXDKFONR-YUMQZZPRSA-N 1 1 239.279 0.833 20 5 BCBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C ZINC000895768075 583723144 /nfs/dbraw/zinc/72/31/44/583723144.db2.gz VNMOXAKDRLLDQD-ZETCQYMHSA-N 1 1 225.252 0.444 20 5 BCBDMO Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C ZINC000895768075 583723145 /nfs/dbraw/zinc/72/31/45/583723145.db2.gz VNMOXAKDRLLDQD-ZETCQYMHSA-N 1 1 225.252 0.444 20 5 BCBDMO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCCCC1 ZINC000899873990 584245129 /nfs/dbraw/zinc/24/51/29/584245129.db2.gz XCXYWTAXNURYKZ-JTQLQIEISA-N 1 1 215.297 0.727 20 5 BCBDMO C[N@H+](CCNCC[N+](=O)[O-])Cc1ccccc1 ZINC000899873406 584245957 /nfs/dbraw/zinc/24/59/57/584245957.db2.gz OBNCEHMWJSAFAU-UHFFFAOYSA-N 1 1 237.303 0.985 20 5 BCBDMO C[N@@H+](CCNCC[N+](=O)[O-])Cc1ccccc1 ZINC000899873406 584245958 /nfs/dbraw/zinc/24/59/58/584245958.db2.gz OBNCEHMWJSAFAU-UHFFFAOYSA-N 1 1 237.303 0.985 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903019254 584714011 /nfs/dbraw/zinc/71/40/11/584714011.db2.gz KUJLPRJKRWUSPZ-VIFPVBQESA-N 1 1 237.263 0.240 20 5 BCBDMO O=[N+]([O-])CC[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903019254 584714013 /nfs/dbraw/zinc/71/40/13/584714013.db2.gz KUJLPRJKRWUSPZ-VIFPVBQESA-N 1 1 237.263 0.240 20 5 BCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839475995 585105162 /nfs/dbraw/zinc/10/51/62/585105162.db2.gz DSLXOIBVXCGICO-OPRDCNLKSA-N 1 1 241.291 0.252 20 5 BCBDMO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839475995 585105163 /nfs/dbraw/zinc/10/51/63/585105163.db2.gz DSLXOIBVXCGICO-OPRDCNLKSA-N 1 1 241.291 0.252 20 5 BCBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839475995 585105164 /nfs/dbraw/zinc/10/51/64/585105164.db2.gz DSLXOIBVXCGICO-OPRDCNLKSA-N 1 1 241.291 0.252 20 5 BCBDMO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839707379 585337661 /nfs/dbraw/zinc/33/76/61/585337661.db2.gz UBXOJIVFUIDGJP-NXEZZACHSA-N 1 1 243.307 0.452 20 5 BCBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839714406 585338100 /nfs/dbraw/zinc/33/81/00/585338100.db2.gz DYEBOIYRUCBEJD-UTINFBMNSA-N 1 1 241.291 0.203 20 5 BCBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839727379 585338637 /nfs/dbraw/zinc/33/86/37/585338637.db2.gz AXPCHYVKZYIRMB-OPRDCNLKSA-N 1 1 241.291 0.252 20 5 BCBDMO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839727379 585338638 /nfs/dbraw/zinc/33/86/38/585338638.db2.gz AXPCHYVKZYIRMB-OPRDCNLKSA-N 1 1 241.291 0.252 20 5 BCBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839727379 585338639 /nfs/dbraw/zinc/33/86/39/585338639.db2.gz AXPCHYVKZYIRMB-OPRDCNLKSA-N 1 1 241.291 0.252 20 5 BCBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000761093198 585408410 /nfs/dbraw/zinc/40/84/10/585408410.db2.gz NKPWFFPBGLLFQG-WCBMZHEXSA-N 1 1 222.248 0.886 20 5 BCBDMO COC(=O)[C@H](C)C[N@@H+](C)CC[N+](=O)[O-] ZINC000791054782 585973156 /nfs/dbraw/zinc/97/31/56/585973156.db2.gz XTBFCFQGIXZKDX-SSDOTTSWSA-N 1 1 204.226 0.004 20 5 BCBDMO CCOC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791053719 585973461 /nfs/dbraw/zinc/97/34/61/585973461.db2.gz NLNNDHZWUYNYIJ-UHFFFAOYSA-N 1 1 230.264 0.538 20 5 BCBDMO C[NH+](C)CCCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842314046 588016272 /nfs/dbraw/zinc/01/62/72/588016272.db2.gz ZZCMXICKJYPNLT-NXEZZACHSA-N 1 1 244.291 0.927 20 5 BCBDMO Cc1noc(C[NH2+][C@@H](CO)C2CC2)c1[N+](=O)[O-] ZINC000851932481 588645245 /nfs/dbraw/zinc/64/52/45/588645245.db2.gz HKTZAPUOVQSMIE-QMMMGPOBSA-N 1 1 241.247 0.752 20 5 BCBDMO C[N@@H+](CCO)CCNc1ncc([N+](=O)[O-])s1 ZINC000884825259 592023785 /nfs/dbraw/zinc/02/37/85/592023785.db2.gz NUWUTZVITKVZGT-UHFFFAOYSA-N 1 1 246.292 0.387 20 5 BCBDMO C[C@H](O)C[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886020552 592133631 /nfs/dbraw/zinc/13/36/31/592133631.db2.gz CKCLCOXZMGROMH-QMMMGPOBSA-N 1 1 225.248 0.802 20 5 BCBDMO C[C@H](O)C[N@@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886020552 592133634 /nfs/dbraw/zinc/13/36/34/592133634.db2.gz CKCLCOXZMGROMH-QMMMGPOBSA-N 1 1 225.248 0.802 20 5 BCBDMO C[C@]1(O)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886032409 592136421 /nfs/dbraw/zinc/13/64/21/592136421.db2.gz GAZWWCGGRPRLKL-NSHDSACASA-N 1 1 237.259 0.947 20 5 BCBDMO C[C@]1(O)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886032409 592136422 /nfs/dbraw/zinc/13/64/22/592136422.db2.gz GAZWWCGGRPRLKL-NSHDSACASA-N 1 1 237.259 0.947 20 5 BCBDMO COC(=O)[C@@H]1CSCC[N@H+](CC[N+](=O)[O-])C1 ZINC000930739165 634078028 /nfs/dbraw/zinc/07/80/28/634078028.db2.gz QQDZRMGZYVDABH-QMMMGPOBSA-N 1 1 248.304 0.101 20 5 BCBDMO COC(=O)[C@@H]1CSCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930739165 634078033 /nfs/dbraw/zinc/07/80/33/634078033.db2.gz QQDZRMGZYVDABH-QMMMGPOBSA-N 1 1 248.304 0.101 20 5 BCBDMO Cn1ccc([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000932129948 635590195 /nfs/dbraw/zinc/59/01/95/635590195.db2.gz LHSVYFKDVWTAGY-SNVBAGLBSA-N 1 1 238.291 0.876 20 5 BCBDMO Cn1ccc([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000932129948 635590214 /nfs/dbraw/zinc/59/02/14/635590214.db2.gz LHSVYFKDVWTAGY-SNVBAGLBSA-N 1 1 238.291 0.876 20 5 BCBDMO O=[N+]([O-])CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000905049236 637566120 /nfs/dbraw/zinc/56/61/20/637566120.db2.gz JDGMTIZJFOZXOK-NXEZZACHSA-N 1 1 213.281 0.480 20 5 BCBDMO C[C@@H](C[NH2+]CC[N+](=O)[O-])N1CCC(C)CC1 ZINC000905065343 637598716 /nfs/dbraw/zinc/59/87/16/637598716.db2.gz HOKWSSGNZNIILN-NSHDSACASA-N 1 1 229.324 0.973 20 5 BCBDMO CCC[N@H+]1CC[C@H](CNCC[N+](=O)[O-])C1 ZINC000905064487 637598821 /nfs/dbraw/zinc/59/88/21/637598821.db2.gz AGYIFJJTDRVIDM-SNVBAGLBSA-N 1 1 215.297 0.585 20 5 BCBDMO C[C@H]1C[C@@H](NCC[N+](=O)[O-])CC[N@H+]1C ZINC000905141001 637648796 /nfs/dbraw/zinc/64/87/96/637648796.db2.gz XEAVINMZPHWFQC-IUCAKERBSA-N 1 1 201.270 0.335 20 5 BCBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CC[N+](=O)[O-] ZINC000930607007 639819668 /nfs/dbraw/zinc/81/96/68/639819668.db2.gz LCKJMBZTUMVLRM-IUCAKERBSA-N 1 1 202.254 0.356 20 5 BCBDMO C[N@@H+](CC[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000930650913 639845314 /nfs/dbraw/zinc/84/53/14/639845314.db2.gz QQNQKSZUWOZLOJ-SECBINFHSA-N 1 1 218.297 0.992 20 5 BCBDMO CC[N@H+]1CCCN(CC[N+](=O)[O-])[C@@H](C)C1 ZINC000930711206 639875344 /nfs/dbraw/zinc/87/53/44/639875344.db2.gz IWDLPWMOMMHZJI-JTQLQIEISA-N 1 1 215.297 0.679 20 5 BCBDMO COC(=O)[C@]1(C)CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000930735874 639885675 /nfs/dbraw/zinc/88/56/75/639885675.db2.gz CCIQLSDCYCCWJR-SNVBAGLBSA-N 1 1 230.264 0.538 20 5 BCBDMO C[C@@]12COC[C@]1(C)C[N@H+](CC[N+](=O)[O-])C2 ZINC000930972320 640007035 /nfs/dbraw/zinc/00/70/35/640007035.db2.gz ZHCWCNXQDKLIOL-AOOOYVTPSA-N 1 1 214.265 0.622 20 5 BCBDMO C[N@H+]1CC[C@H]2CN(CC[N+](=O)[O-])CC[C@H]21 ZINC000931545172 640268539 /nfs/dbraw/zinc/26/85/39/640268539.db2.gz BDJFBKFNLXWQAG-VHSXEESVSA-N 1 1 213.281 0.289 20 5 BCBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CC[N+](=O)[O-] ZINC000931620841 640293881 /nfs/dbraw/zinc/29/38/81/640293881.db2.gz HSKCAILIBNMMPW-UWVGGRQHSA-N 1 1 213.281 0.432 20 5 BCBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CC[N+](=O)[O-] ZINC000931620842 640294541 /nfs/dbraw/zinc/29/45/41/640294541.db2.gz HSKCAILIBNMMPW-VHSXEESVSA-N 1 1 213.281 0.432 20 5 BCBDMO O=[N+]([O-])CC[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000931706801 640329094 /nfs/dbraw/zinc/32/90/94/640329094.db2.gz LDCAWSPENUXGJX-SNVBAGLBSA-N 1 1 244.291 0.127 20 5 BCBDMO C[N@H+]1CCC[C@@H]1Cn1nccc1[N+](=O)[O-] ZINC000916723331 641970692 /nfs/dbraw/zinc/97/06/92/641970692.db2.gz REVAURBPWXGXDN-MRVPVSSYSA-N 1 1 210.237 0.886 20 5 BCBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929420684 646114853 /nfs/dbraw/zinc/11/48/53/646114853.db2.gz RMKRSNSOALXIFF-SNVBAGLBSA-N 1 1 243.307 0.501 20 5 BCBDMO CC(C)(C)C[N@@H+](CCO)CC[N+](=O)[O-] ZINC000929600478 646192386 /nfs/dbraw/zinc/19/23/86/646192386.db2.gz HUQSQNFZUJXMGB-UHFFFAOYSA-N 1 1 204.270 0.604 20 5 BCBDMO C[C@@](CO)([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000929604243 646195320 /nfs/dbraw/zinc/19/53/20/646195320.db2.gz SGERIFLMCSEWFO-NSHDSACASA-N 1 1 224.260 0.760 20 5 BCBDMO C[C@](CO)([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000929604242 646196261 /nfs/dbraw/zinc/19/62/61/646196261.db2.gz SGERIFLMCSEWFO-LLVKDONJSA-N 1 1 224.260 0.760 20 5 BCBDMO COCCOC[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C1 ZINC000929732879 646277691 /nfs/dbraw/zinc/27/76/91/646277691.db2.gz SSAKOPNNLPUXTJ-SNVBAGLBSA-N 1 1 232.280 0.248 20 5 BCBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930163686 646454845 /nfs/dbraw/zinc/45/48/45/646454845.db2.gz VAEZFCVXOYJVDK-IUCAKERBSA-N 1 1 201.270 0.288 20 5 BCBDMO C[C@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000719570489 712810636 /nfs/dbraw/zinc/81/06/36/712810636.db2.gz DVMUNSCKSHJNJS-JGVFFNPUSA-N 1 1 239.279 0.833 20 5 BCBDMO