smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001616657812 1165571845 /nfs/dbraw/zinc/57/18/45/1165571845.db2.gz FNSRHFMSTYZDRB-UHFFFAOYSA-N 1 1 292.339 1.343 10 5 CDBEMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001636801829 1166699111 /nfs/dbraw/zinc/69/91/11/1166699111.db2.gz NDURWFULSIQETG-SNVBAGLBSA-N 1 1 292.339 1.391 10 5 CDBEMO NC(=O)C[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001167609105 897015215 /nfs/dbraw/zinc/01/52/15/897015215.db2.gz SBIBKLSOHIDIFD-SNVBAGLBSA-N 1 1 278.312 1.077 10 5 CDBEMO CC(C)[N@H+]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001177809822 914953008 /nfs/dbraw/zinc/95/30/08/914953008.db2.gz CHIWFUSNQRNKNJ-VIFPVBQESA-N 1 1 281.316 1.377 10 5 CDBEMO CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001324864309 953614485 /nfs/dbraw/zinc/61/44/85/953614485.db2.gz JEPODDQOIXBEEC-CHWSQXEVSA-N 1 1 297.399 1.670 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[N@H+](C)CC2)n1 ZINC001290032939 954023150 /nfs/dbraw/zinc/02/31/50/954023150.db2.gz VNFNQRSZAMBDCD-UHFFFAOYSA-N 1 1 278.312 1.076 10 5 CDBEMO CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001327982159 955147200 /nfs/dbraw/zinc/14/72/00/955147200.db2.gz MCVJKZQDWLTOQJ-VXGBXAGGSA-N 1 1 283.372 1.422 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001456161649 968879321 /nfs/dbraw/zinc/87/93/21/968879321.db2.gz YZIZHGWPWVKEDU-CYBMUJFWSA-N 1 1 291.351 1.973 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC001536840097 969634427 /nfs/dbraw/zinc/63/44/27/969634427.db2.gz NVAIPGXKDWNVHY-NSHDSACASA-N 1 1 292.339 1.464 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000601171278 342485864 /nfs/dbraw/zinc/48/58/64/342485864.db2.gz KVTCMRRAYBRQCP-PHIMTYICSA-N 1 1 296.302 1.404 10 5 CDBEMO CN(C[C@H]1CCC[N@H+]1C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601174474 342486529 /nfs/dbraw/zinc/48/65/29/342486529.db2.gz DMKFUOVDFJAVOB-SNVBAGLBSA-N 1 1 268.292 1.659 10 5 CDBEMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000589536396 342508554 /nfs/dbraw/zinc/50/85/54/342508554.db2.gz UGFFBOHKHZEFCT-NSHDSACASA-N 1 1 294.355 1.840 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590010312 342519259 /nfs/dbraw/zinc/51/92/59/342519259.db2.gz AZWOJARFCYPXJR-GXTWGEPZSA-N 1 1 291.351 1.610 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590043477 342520362 /nfs/dbraw/zinc/52/03/62/342520362.db2.gz AHFAHDHNSLVNOI-NOZJJQNGSA-N 1 1 293.298 1.510 10 5 CDBEMO COC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815183 522591661 /nfs/dbraw/zinc/59/16/61/522591661.db2.gz UXPUKYOJNGHFNN-VIFPVBQESA-N 1 1 253.302 1.644 10 5 CDBEMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000593208335 342778218 /nfs/dbraw/zinc/77/82/18/342778218.db2.gz ASYZVLDDIMDUJR-UHFFFAOYSA-N 1 1 296.371 1.641 10 5 CDBEMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000534293512 282179563 /nfs/dbraw/zinc/17/95/63/282179563.db2.gz NLMHJDZXUDABGF-WDEREUQCSA-N 1 1 292.339 1.545 10 5 CDBEMO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(=O)NC ZINC000595049684 342999463 /nfs/dbraw/zinc/99/94/63/342999463.db2.gz CZAAKYDFOWWYIZ-JOYOIKCWSA-N 1 1 295.339 1.779 10 5 CDBEMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595547708 343085112 /nfs/dbraw/zinc/08/51/12/343085112.db2.gz VQPKEMKTXXGEHH-JTQLQIEISA-N 1 1 281.287 1.302 10 5 CDBEMO Cc1nn(C)c(NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000076776213 342323296 /nfs/dbraw/zinc/32/32/96/342323296.db2.gz GCYMZGCMBKLNNY-SNVBAGLBSA-N 1 1 281.360 1.923 10 5 CDBEMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000595662318 343120605 /nfs/dbraw/zinc/12/06/05/343120605.db2.gz LPHIASZZRUOTQA-NWDGAFQWSA-N 1 1 298.270 1.154 10 5 CDBEMO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000078523613 342337918 /nfs/dbraw/zinc/33/79/18/342337918.db2.gz JNCQVZXEQASVOW-LLVKDONJSA-N 1 1 297.330 1.627 10 5 CDBEMO C[C@H]1CCCC[N@H+]1CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596076853 343226779 /nfs/dbraw/zinc/22/67/79/343226779.db2.gz QOLXRRANWWCXSN-JTQLQIEISA-N 1 1 280.328 1.982 10 5 CDBEMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000596360884 343310549 /nfs/dbraw/zinc/31/05/49/343310549.db2.gz HLNIZKSMFNMTMQ-LBPRGKRZSA-N 1 1 295.387 1.674 10 5 CDBEMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc([N+](=O)[O-])nc1 ZINC000596360884 343310550 /nfs/dbraw/zinc/31/05/50/343310550.db2.gz HLNIZKSMFNMTMQ-LBPRGKRZSA-N 1 1 295.387 1.674 10 5 CDBEMO CCC[N@@H+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])cn1 ZINC000596543342 343347148 /nfs/dbraw/zinc/34/71/48/343347148.db2.gz RVXPLHSQCJIZKK-UHFFFAOYSA-N 1 1 267.333 1.917 10 5 CDBEMO CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945604 343675743 /nfs/dbraw/zinc/67/57/43/343675743.db2.gz JOAMXMWSODMRPD-CYBMUJFWSA-N 1 1 277.324 1.761 10 5 CDBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000598464197 343805928 /nfs/dbraw/zinc/80/59/28/343805928.db2.gz ARVLNRLTWVVJDQ-UHFFFAOYSA-N 1 1 283.332 1.168 10 5 CDBEMO C[N@@H+]1CCC[C@@H]1CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963020 344668468 /nfs/dbraw/zinc/66/84/68/344668468.db2.gz RRCHIGOOZGEUKH-HUUCEWRRSA-N 1 1 293.367 1.486 10 5 CDBEMO C[N@H+]1CCC[C@@H]1CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963020 344668470 /nfs/dbraw/zinc/66/84/70/344668470.db2.gz RRCHIGOOZGEUKH-HUUCEWRRSA-N 1 1 293.367 1.486 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000603843243 344837867 /nfs/dbraw/zinc/83/78/67/344837867.db2.gz HTRLFUOABCTCTL-GWCFXTLKSA-N 1 1 290.323 1.763 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000603843192 344838225 /nfs/dbraw/zinc/83/82/25/344838225.db2.gz DQRUFHANCXRLAG-GWCFXTLKSA-N 1 1 290.323 1.763 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610239931 346226837 /nfs/dbraw/zinc/22/68/37/346226837.db2.gz KHIHBTJIPQBAQP-LBPRGKRZSA-N 1 1 277.324 1.348 10 5 CDBEMO COc1cc(C[N@@H+](C)C[C@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000305791845 350097029 /nfs/dbraw/zinc/09/70/29/350097029.db2.gz BDWGFCGGSZKYQS-ZDUSSCGKSA-N 1 1 280.324 1.806 10 5 CDBEMO Cn1nccc1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000558852131 356048905 /nfs/dbraw/zinc/04/89/05/356048905.db2.gz FIUMVASNFOAVHC-UHFFFAOYSA-N 1 1 286.335 1.929 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408112589 358157310 /nfs/dbraw/zinc/15/73/10/358157310.db2.gz MFIJNCIELLYYJX-LLVKDONJSA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408112589 358157313 /nfs/dbraw/zinc/15/73/13/358157313.db2.gz MFIJNCIELLYYJX-LLVKDONJSA-N 1 1 277.324 1.679 10 5 CDBEMO C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000289654354 359660433 /nfs/dbraw/zinc/66/04/33/359660433.db2.gz XOGJZAROHDSEAO-AAEUAGOBSA-N 1 1 293.367 1.701 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000172054930 359716970 /nfs/dbraw/zinc/71/69/70/359716970.db2.gz GAHSIFHCTGMPHB-GXSJLCMTSA-N 1 1 295.364 1.965 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270795739 366931861 /nfs/dbraw/zinc/93/18/61/366931861.db2.gz WAAYSZVAMOPKOV-MWLCHTKSSA-N 1 1 278.312 1.398 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270795739 366931863 /nfs/dbraw/zinc/93/18/63/366931863.db2.gz WAAYSZVAMOPKOV-MWLCHTKSSA-N 1 1 278.312 1.398 10 5 CDBEMO CNC(=O)CC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000170781853 369085375 /nfs/dbraw/zinc/08/53/75/369085375.db2.gz JXPRPCWGELVJFQ-UHFFFAOYSA-N 1 1 257.315 1.224 10 5 CDBEMO CNC(=O)CC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000170781853 369085376 /nfs/dbraw/zinc/08/53/76/369085376.db2.gz JXPRPCWGELVJFQ-UHFFFAOYSA-N 1 1 257.315 1.224 10 5 CDBEMO CCc1nn(C)c(N[C@@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000368185557 371821580 /nfs/dbraw/zinc/82/15/80/371821580.db2.gz UVRLZHRTOMXTAE-MRVPVSSYSA-N 1 1 290.327 1.583 10 5 CDBEMO CCc1nn(C)c(N[C@@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000368185557 371821583 /nfs/dbraw/zinc/82/15/83/371821583.db2.gz UVRLZHRTOMXTAE-MRVPVSSYSA-N 1 1 290.327 1.583 10 5 CDBEMO O=[N+]([O-])c1ccc(OC2C[NH+]([C@@H]3CCCC[C@H]3O)C2)cc1 ZINC000193110092 373655291 /nfs/dbraw/zinc/65/52/91/373655291.db2.gz QTDJZEFYOZAUSQ-HUUCEWRRSA-N 1 1 292.335 1.961 10 5 CDBEMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000531878510 374514477 /nfs/dbraw/zinc/51/44/77/374514477.db2.gz ZIYCERKSKDFEJQ-YPMHNXCESA-N 1 1 290.323 1.346 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000377848577 374621460 /nfs/dbraw/zinc/62/14/60/374621460.db2.gz YLZYAENJTQQDQV-LLVKDONJSA-N 1 1 277.324 1.601 10 5 CDBEMO C[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331152280 374895737 /nfs/dbraw/zinc/89/57/37/374895737.db2.gz URAUIGHQWUAUDE-UHFFFAOYSA-N 1 1 299.277 1.190 10 5 CDBEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000296274272 375210674 /nfs/dbraw/zinc/21/06/74/375210674.db2.gz OOEOVYZNRAKCSP-RISCZKNCSA-N 1 1 264.325 1.983 10 5 CDBEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ncccc1[N+](=O)[O-] ZINC000267080305 190301786 /nfs/dbraw/zinc/30/17/86/190301786.db2.gz RZARWURIFQKSOT-LLVKDONJSA-N 1 1 264.329 1.910 10 5 CDBEMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000281317233 195195347 /nfs/dbraw/zinc/19/53/47/195195347.db2.gz XYIUYNQHXOENQQ-GFCCVEGCSA-N 1 1 283.353 1.614 10 5 CDBEMO C[N@H+](CCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000281589469 195299075 /nfs/dbraw/zinc/29/90/75/195299075.db2.gz FLWPUPIQCJUXHC-UHFFFAOYSA-N 1 1 292.295 1.459 10 5 CDBEMO C[N@@H+](CCCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000281589469 195299076 /nfs/dbraw/zinc/29/90/76/195299076.db2.gz FLWPUPIQCJUXHC-UHFFFAOYSA-N 1 1 292.295 1.459 10 5 CDBEMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401791537 390416901 /nfs/dbraw/zinc/41/69/01/390416901.db2.gz GJLFOVSKRSQKFL-ZWNOBZJWSA-N 1 1 250.298 1.798 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000418112298 392875841 /nfs/dbraw/zinc/87/58/41/392875841.db2.gz LJWFXUGXOAFCOQ-QWHCGFSZSA-N 1 1 293.367 1.482 10 5 CDBEMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@]12CCOC2 ZINC000421030639 392927759 /nfs/dbraw/zinc/92/77/59/392927759.db2.gz YWRAOXXBGHYTLC-AWEZNQCLSA-N 1 1 278.308 1.838 10 5 CDBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@]12CCOC2 ZINC000421030639 392927762 /nfs/dbraw/zinc/92/77/62/392927762.db2.gz YWRAOXXBGHYTLC-AWEZNQCLSA-N 1 1 278.308 1.838 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000249300490 392945550 /nfs/dbraw/zinc/94/55/50/392945550.db2.gz RYQZOTADHJCTPE-IUCAKERBSA-N 1 1 268.342 1.724 10 5 CDBEMO Cn1cc[nH+]c1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000040639724 174363784 /nfs/dbraw/zinc/36/37/84/174363784.db2.gz IMQJWOAREOZBRJ-UHFFFAOYSA-N 1 1 289.295 1.082 10 5 CDBEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000071189329 176064574 /nfs/dbraw/zinc/06/45/74/176064574.db2.gz YZTUYGLEQDTAEM-JTQLQIEISA-N 1 1 295.314 1.758 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399483558 270372589 /nfs/dbraw/zinc/37/25/89/270372589.db2.gz QYQJQFFYESDHPO-GWCFXTLKSA-N 1 1 280.324 1.949 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399483558 270372590 /nfs/dbraw/zinc/37/25/90/270372590.db2.gz QYQJQFFYESDHPO-GWCFXTLKSA-N 1 1 280.324 1.949 10 5 CDBEMO C[C@@H](O)C[N@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000192790702 274270827 /nfs/dbraw/zinc/27/08/27/274270827.db2.gz JHQOTSPLTCOOLZ-WDEREUQCSA-N 1 1 294.355 1.068 10 5 CDBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180961466 276393703 /nfs/dbraw/zinc/39/37/03/276393703.db2.gz QHBVMOKDKFVUJY-JTQLQIEISA-N 1 1 292.339 1.249 10 5 CDBEMO C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2F)CC1 ZINC000366825213 277050735 /nfs/dbraw/zinc/05/07/35/277050735.db2.gz WMSMDUGSGIGLDJ-UHFFFAOYSA-N 1 1 281.287 1.512 10 5 CDBEMO C[N@H+]1CC[C@@H]2OCCN(Cc3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000284643675 277154517 /nfs/dbraw/zinc/15/45/17/277154517.db2.gz OESMFECOWFICQQ-RYUDHWBXSA-N 1 1 297.380 1.561 10 5 CDBEMO CNC(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000183632552 279908251 /nfs/dbraw/zinc/90/82/51/279908251.db2.gz POMFFIXSEPWZPD-ZDUSSCGKSA-N 1 1 295.339 1.464 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCSc1ccccc1[N+](=O)[O-] ZINC000062596747 521071775 /nfs/dbraw/zinc/07/17/75/521071775.db2.gz YENVSKXMOQOTMD-VIFPVBQESA-N 1 1 284.337 1.967 10 5 CDBEMO CCNC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049201780 521745514 /nfs/dbraw/zinc/74/55/14/521745514.db2.gz BPMRJJXXQDNIMM-QMMMGPOBSA-N 1 1 269.276 1.348 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@H+]1C ZINC000930885247 617557783 /nfs/dbraw/zinc/55/77/83/617557783.db2.gz UHPSDJHISRGRBI-SNVBAGLBSA-N 1 1 294.311 1.429 10 5 CDBEMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000896914933 620305921 /nfs/dbraw/zinc/30/59/21/620305921.db2.gz QRKYTQMSYWWBTJ-RISCZKNCSA-N 1 1 261.325 1.983 10 5 CDBEMO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000899554324 622306009 /nfs/dbraw/zinc/30/60/09/622306009.db2.gz CDBPOCYYPZXLBL-VXGBXAGGSA-N 1 1 281.356 1.129 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)C3CC3)C2)nc1 ZINC000838895632 678857115 /nfs/dbraw/zinc/85/71/15/678857115.db2.gz SDHCJOHPMNSIGO-WCQYABFASA-N 1 1 292.339 1.247 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000846220099 678886942 /nfs/dbraw/zinc/88/69/42/678886942.db2.gz BMVGROYHGSCFGP-OAHLLOKOSA-N 1 1 291.351 1.876 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@H]2C)n1 ZINC000719627497 679164186 /nfs/dbraw/zinc/16/41/86/679164186.db2.gz VNDMXSQWDWNTKR-VHSXEESVSA-N 1 1 250.302 1.803 10 5 CDBEMO 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O=[N+]([O-])c1c(NCc2c[nH+]c3n2CCC3)nc2ccccn21 ZINC001187625235 920591678 /nfs/dbraw/zinc/59/16/78/920591678.db2.gz RECLVSJVZRURMJ-UHFFFAOYSA-N 1 1 298.306 1.997 10 5 CDBEMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@]2(C)C1 ZINC000823755874 925725330 /nfs/dbraw/zinc/72/53/30/925725330.db2.gz ZXRJTYICPBBBHY-OKILXGFUSA-N 1 1 293.323 1.602 10 5 CDBEMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001147902475 932630259 /nfs/dbraw/zinc/63/02/59/932630259.db2.gz JEZOORKEKICFLX-JTQLQIEISA-N 1 1 292.339 1.249 10 5 CDBEMO CC(C)(CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[N+](=O)[O-] ZINC001523988500 970785774 /nfs/dbraw/zinc/78/57/74/970785774.db2.gz JFYNCYJDYVJYMD-VXGBXAGGSA-N 1 1 283.372 1.565 10 5 CDBEMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc(C)[nH+]1 ZINC001319863006 958756972 /nfs/dbraw/zinc/75/69/72/958756972.db2.gz FPGIPZNJKHWZBS-UHFFFAOYSA-N 1 1 274.280 1.619 10 5 CDBEMO O=C(NCC1([NH2+]Cc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001569400705 1169855942 /nfs/dbraw/zinc/85/59/42/1169855942.db2.gz VOVLFYGIUXASRA-GHMZBOCLSA-N 1 1 295.364 1.152 10 5 CDBEMO COc1ccc(OC(=O)Cn2c[nH+]cc2C)cc1[N+](=O)[O-] ZINC001458971926 969371482 /nfs/dbraw/zinc/37/14/82/969371482.db2.gz DHGIJKICQXJANK-UHFFFAOYSA-N 1 1 291.263 1.714 10 5 CDBEMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC001465559864 969883159 /nfs/dbraw/zinc/88/31/59/969883159.db2.gz LBOXMLZYJNOAPG-LBPRGKRZSA-N 1 1 285.388 1.622 10 5 CDBEMO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000095620317 185016194 /nfs/dbraw/zinc/01/61/94/185016194.db2.gz CERXIPUCZJSXKI-ZJUUUORDSA-N 1 1 284.337 1.433 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601327514 342554164 /nfs/dbraw/zinc/55/41/64/342554164.db2.gz UFRQBMSHAOXOCT-PHIMTYICSA-N 1 1 263.297 1.237 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000565227519 365615752 /nfs/dbraw/zinc/61/57/52/365615752.db2.gz YZDIUSUEFFRNNG-CMPLNLGQSA-N 1 1 277.324 1.744 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611578368 346824689 /nfs/dbraw/zinc/82/46/89/346824689.db2.gz BBYJKLFNTDHOKY-SNVBAGLBSA-N 1 1 290.270 1.495 10 5 CDBEMO CC[C@@H](CO)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593031777 342755473 /nfs/dbraw/zinc/75/54/73/342755473.db2.gz NLCPSUHJMIPNAQ-LBPRGKRZSA-N 1 1 296.323 1.584 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593097705 342766208 /nfs/dbraw/zinc/76/62/08/342766208.db2.gz PPWBVAWYUIWRNW-JMERFSKESA-N 1 1 280.349 1.343 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593097705 342766209 /nfs/dbraw/zinc/76/62/09/342766209.db2.gz PPWBVAWYUIWRNW-JMERFSKESA-N 1 1 280.349 1.343 10 5 CDBEMO CC[C@@H](NC[C@@H](O)C[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000593969890 342858732 /nfs/dbraw/zinc/85/87/32/342858732.db2.gz FEHDSMSRZSDEBN-HUUCEWRRSA-N 1 1 295.383 1.948 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1COCCOC1 ZINC000595040669 342998194 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O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000599681353 344117862 /nfs/dbraw/zinc/11/78/62/344117862.db2.gz NVHLXHZEHZOCGU-NWANDNLSSA-N 1 1 276.336 1.983 10 5 CDBEMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cocn2)cc1 ZINC000397861026 362500685 /nfs/dbraw/zinc/50/06/85/362500685.db2.gz OKOHRJLKWWEJQP-UHFFFAOYSA-N 1 1 263.253 1.751 10 5 CDBEMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000293265139 362550257 /nfs/dbraw/zinc/55/02/57/362550257.db2.gz BNYFNWMUCJVCEB-UWVGGRQHSA-N 1 1 251.286 1.097 10 5 CDBEMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344422229 362767739 /nfs/dbraw/zinc/76/77/39/362767739.db2.gz QDYHCUYITRKUPW-NSHDSACASA-N 1 1 279.344 1.038 10 5 CDBEMO CC(C)[N@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000049281839 359267046 /nfs/dbraw/zinc/26/70/46/359267046.db2.gz RYOWEIXKFXPRTP-SECBINFHSA-N 1 1 253.306 1.223 10 5 CDBEMO C[NH+](C)CCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274705964 374680710 /nfs/dbraw/zinc/68/07/10/374680710.db2.gz XRIFNVBTBLPJGN-UHFFFAOYSA-N 1 1 281.312 1.372 10 5 CDBEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000048753424 375868306 /nfs/dbraw/zinc/86/83/06/375868306.db2.gz HXDUVBLUBRFBGE-NSHDSACASA-N 1 1 277.324 1.809 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000194742939 375960597 /nfs/dbraw/zinc/96/05/97/375960597.db2.gz UMBNHKZORHZCCJ-LBPRGKRZSA-N 1 1 293.323 1.184 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000266091966 190229918 /nfs/dbraw/zinc/22/99/18/190229918.db2.gz IXWRRGRKFPPIKB-LBPRGKRZSA-N 1 1 289.335 1.823 10 5 CDBEMO Cn1cc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000174846017 379592631 /nfs/dbraw/zinc/59/26/31/379592631.db2.gz UOLYZWFFZLQPBJ-ZDUSSCGKSA-N 1 1 290.327 1.362 10 5 CDBEMO O=[N+]([O-])c1cccnc1NC[C@H]1CCCC[N@@H+]1CCO ZINC000450622904 251373287 /nfs/dbraw/zinc/37/32/87/251373287.db2.gz ZTOJYWIPAFZLST-LLVKDONJSA-N 1 1 280.328 1.249 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@H]2CCO)c1 ZINC000342056319 130225771 /nfs/dbraw/zinc/22/57/71/130225771.db2.gz HLMYAHCPWAVSHD-LBPRGKRZSA-N 1 1 282.344 1.418 10 5 CDBEMO CC(C)[N@H+](CC(=O)NC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350449 391889299 /nfs/dbraw/zinc/88/92/99/391889299.db2.gz IVGNQUSGQDISEN-UHFFFAOYSA-N 1 1 294.311 1.000 10 5 CDBEMO CC(C)[N@@H+](CC(=O)NC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350449 391889301 /nfs/dbraw/zinc/88/93/01/391889301.db2.gz IVGNQUSGQDISEN-UHFFFAOYSA-N 1 1 294.311 1.000 10 5 CDBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@]23CCOC3)cc1 ZINC000421010877 392925983 /nfs/dbraw/zinc/92/59/83/392925983.db2.gz CRXSSSGGDCCGAP-AWEZNQCLSA-N 1 1 278.308 1.838 10 5 CDBEMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000421387568 392932900 /nfs/dbraw/zinc/93/29/00/392932900.db2.gz IYOKPVJYHNTIOB-ZDUSSCGKSA-N 1 1 277.324 1.614 10 5 CDBEMO Cc1cnc(N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000284618435 393193569 /nfs/dbraw/zinc/19/35/69/393193569.db2.gz SSHKVDGPUIBDDU-OLZOCXBDSA-N 1 1 292.339 1.208 10 5 CDBEMO Cc1cc(N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000284591240 393193588 /nfs/dbraw/zinc/19/35/88/393193588.db2.gz QGMJSGFLLSCBDW-CHWSQXEVSA-N 1 1 292.339 1.208 10 5 CDBEMO CC[NH+]1CCN(C(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC000037247995 173060222 /nfs/dbraw/zinc/06/02/22/173060222.db2.gz AXEXUUGKORIRES-UHFFFAOYSA-N 1 1 281.287 1.512 10 5 CDBEMO C[C@@H]([NH2+]C(C)(C)C(N)=O)c1ccccc1[N+](=O)[O-] ZINC000040674430 174372975 /nfs/dbraw/zinc/37/29/75/174372975.db2.gz ZEFZMEVYBDGWIJ-MRVPVSSYSA-N 1 1 251.286 1.509 10 5 CDBEMO O=[N+]([O-])c1ccccc1CCN1CCC[N@H+](CCO)CC1 ZINC000071350491 176133899 /nfs/dbraw/zinc/13/38/99/176133899.db2.gz VNTWJCCDQXEXMN-UHFFFAOYSA-N 1 1 293.367 1.137 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)[C@@H](C)C1 ZINC000266231416 270313437 /nfs/dbraw/zinc/31/34/37/270313437.db2.gz JSHAVPIAZUBGQL-UWVGGRQHSA-N 1 1 294.359 1.134 10 5 CDBEMO COc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000399478477 270372207 /nfs/dbraw/zinc/37/22/07/270372207.db2.gz PBQBKIVGRZPOFL-PWSUYJOCSA-N 1 1 280.324 1.949 10 5 CDBEMO CNC(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153084455 289156755 /nfs/dbraw/zinc/15/67/55/289156755.db2.gz BAVFHWVEOCAJDG-UHFFFAOYSA-N 1 1 263.297 1.089 10 5 CDBEMO C[C@H]1C[C@H](C)[NH+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000548753760 289925301 /nfs/dbraw/zinc/92/53/01/289925301.db2.gz IFEJENMGILQAPO-QWRGUYRKSA-N 1 1 289.335 1.967 10 5 CDBEMO CC(=O)[C@@](C)(O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583674682 325218065 /nfs/dbraw/zinc/21/80/65/325218065.db2.gz WIFTYQXSLVAPKW-AWEZNQCLSA-N 1 1 278.308 1.293 10 5 CDBEMO CC(=O)[C@@](C)(O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000583674682 325218068 /nfs/dbraw/zinc/21/80/68/325218068.db2.gz WIFTYQXSLVAPKW-AWEZNQCLSA-N 1 1 278.308 1.293 10 5 CDBEMO O=C(NC/C=C\C[NH2+]Cc1ccsc1)[C@@H]1CC1[N+](=O)[O-] ZINC001268542012 1159967254 /nfs/dbraw/zinc/96/72/54/1159967254.db2.gz NTUZPPUNJASSNH-JZIZGNRHSA-N 1 1 295.364 1.175 10 5 CDBEMO CC[N@@H+](CCO)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050814548 521121634 /nfs/dbraw/zinc/12/16/34/521121634.db2.gz GEUJOFGUIRQQKJ-UHFFFAOYSA-N 1 1 253.302 1.451 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000062539901 521257634 /nfs/dbraw/zinc/25/76/34/521257634.db2.gz QWKBDKQRTOLVPU-SNVBAGLBSA-N 1 1 282.296 1.563 10 5 CDBEMO COC(=O)[C@@]([NH3+])(COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000069194132 523824881 /nfs/dbraw/zinc/82/48/81/523824881.db2.gz OVYVFBJLVLPPJY-CYBMUJFWSA-N 1 1 280.280 1.254 10 5 CDBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050815297 524646780 /nfs/dbraw/zinc/64/67/80/524646780.db2.gz OJXZPNCGQUADAA-ZJUUUORDSA-N 1 1 292.339 1.263 10 5 CDBEMO O=[N+]([O-])c1c(Cl)ncnc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000050455814 527320556 /nfs/dbraw/zinc/32/05/56/527320556.db2.gz XPSBOKJPGVJNTI-SSDOTTSWSA-N 1 1 283.719 1.687 10 5 CDBEMO Nc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052841321 527461399 /nfs/dbraw/zinc/46/13/99/527461399.db2.gz 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O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895646238 619772892 /nfs/dbraw/zinc/77/28/92/619772892.db2.gz FPRVGBSFQBQNSY-GSBHKFGHSA-N 1 1 260.293 1.675 10 5 CDBEMO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C(C)(C)C ZINC000912030994 629726242 /nfs/dbraw/zinc/72/62/42/629726242.db2.gz KORKBYHLXDADJB-LLVKDONJSA-N 1 1 295.339 1.990 10 5 CDBEMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1C(C)(C)C ZINC000912030994 629726246 /nfs/dbraw/zinc/72/62/46/629726246.db2.gz KORKBYHLXDADJB-LLVKDONJSA-N 1 1 295.339 1.990 10 5 CDBEMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000913538859 630540986 /nfs/dbraw/zinc/54/09/86/630540986.db2.gz SIUFYEMIIVVBGK-DTORHVGOSA-N 1 1 265.269 1.106 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000913538859 630540991 /nfs/dbraw/zinc/54/09/91/630540991.db2.gz SIUFYEMIIVVBGK-DTORHVGOSA-N 1 1 265.269 1.106 10 5 CDBEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171573748 694174981 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10 5 CDBEMO COC(=O)C1=CC=C2[NH2+]C(c3cccc([N+](=O)[O-])c3)=CN2C1 ZINC000616217878 342151510 /nfs/dbraw/zinc/15/15/10/342151510.db2.gz JLUANCLEVNBSKZ-UHFFFAOYSA-N 1 1 299.286 1.753 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000593020117 342758356 /nfs/dbraw/zinc/75/83/56/342758356.db2.gz KVJQLTRYWYJASY-RNCFNFMXSA-N 1 1 294.307 1.194 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000593020117 342758357 /nfs/dbraw/zinc/75/83/57/342758357.db2.gz KVJQLTRYWYJASY-RNCFNFMXSA-N 1 1 294.307 1.194 10 5 CDBEMO C[C@H]1[NH2+]CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000593727464 342829672 /nfs/dbraw/zinc/82/96/72/342829672.db2.gz LJLUKNJDSMZGLT-ZJUUUORDSA-N 1 1 265.313 1.483 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595523893 343088847 /nfs/dbraw/zinc/08/88/47/343088847.db2.gz VVVGRLANMQLTPW-LLVKDONJSA-N 1 1 297.330 1.232 10 5 CDBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@]1(O)CCCOC1 ZINC000595485920 343074923 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C[N@H+]1CCCC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000599140307 343959868 /nfs/dbraw/zinc/95/98/68/343959868.db2.gz UNHHTQDWUAYBTK-NSHDSACASA-N 1 1 264.329 1.556 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601976984 344305615 /nfs/dbraw/zinc/30/56/15/344305615.db2.gz SFTHKTQOKFBKKA-BETUJISGSA-N 1 1 262.309 1.981 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604562614 344901376 /nfs/dbraw/zinc/90/13/76/344901376.db2.gz NPHZUUZJXZYSFM-NSHDSACASA-N 1 1 277.324 1.727 10 5 CDBEMO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293033714 362526756 /nfs/dbraw/zinc/52/67/56/362526756.db2.gz QAZMKPUMAGZSFG-WDEREUQCSA-N 1 1 289.335 1.824 10 5 CDBEMO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000293033714 362526759 /nfs/dbraw/zinc/52/67/59/362526759.db2.gz QAZMKPUMAGZSFG-WDEREUQCSA-N 1 1 289.335 1.824 10 5 CDBEMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093342585 147045303 /nfs/dbraw/zinc/04/53/03/147045303.db2.gz RSRMPSSBUMLVBF-MFKMUULPSA-N 1 1 250.298 1.798 10 5 CDBEMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000336797126 356268693 /nfs/dbraw/zinc/26/86/93/356268693.db2.gz YWIZNJZBIUWSHG-LBPRGKRZSA-N 1 1 250.298 1.940 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)C1(C)C ZINC000336831448 356291462 /nfs/dbraw/zinc/29/14/62/356291462.db2.gz JFTXVQUNKWJETN-CYBMUJFWSA-N 1 1 280.324 1.949 10 5 CDBEMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000367391734 361374979 /nfs/dbraw/zinc/37/49/79/361374979.db2.gz HHFCUKACVQUBJA-NSHDSACASA-N 1 1 299.277 1.203 10 5 CDBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCCO ZINC000276217231 193247361 /nfs/dbraw/zinc/24/73/61/193247361.db2.gz ARJJGUCGFLBGLZ-NSHDSACASA-N 1 1 295.339 1.626 10 5 CDBEMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000036794194 296158804 /nfs/dbraw/zinc/15/88/04/296158804.db2.gz KQONVOAXBVJCRZ-NXEZZACHSA-N 1 1 265.313 1.722 10 5 CDBEMO CC(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531887663 372816715 /nfs/dbraw/zinc/81/67/15/372816715.db2.gz BMFAXNPJLMWRRK-UHFFFAOYSA-N 1 1 292.339 1.546 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1F ZINC000368485377 374314673 /nfs/dbraw/zinc/31/46/73/374314673.db2.gz VPQXKAYKJJFXST-LBPRGKRZSA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1F ZINC000368485377 374314679 /nfs/dbraw/zinc/31/46/79/374314679.db2.gz VPQXKAYKJJFXST-LBPRGKRZSA-N 1 1 266.272 1.691 10 5 CDBEMO C[C@H](N)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423481493 374385032 /nfs/dbraw/zinc/38/50/32/374385032.db2.gz WTFOKBBEHLSSQU-BJDJZHNGSA-N 1 1 281.360 1.600 10 5 CDBEMO CC(C)[N@@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000357543062 378151064 /nfs/dbraw/zinc/15/10/64/378151064.db2.gz AECXKRZZDUIAQX-VIFPVBQESA-N 1 1 295.343 1.229 10 5 CDBEMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408380903 296289645 /nfs/dbraw/zinc/28/96/45/296289645.db2.gz DSOCTXPDENGRAL-RKDXNWHRSA-N 1 1 268.317 1.062 10 5 CDBEMO COc1cc(C[N@@H+](C)CC2(CO)CC2)ccc1[N+](=O)[O-] ZINC000446077655 250266692 /nfs/dbraw/zinc/26/66/92/250266692.db2.gz CQZVPMFZNVWBSD-UHFFFAOYSA-N 1 1 280.324 1.808 10 5 CDBEMO C[C@@]12C[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451371765 390614455 /nfs/dbraw/zinc/61/44/55/390614455.db2.gz PXJRDDWPZCSJNO-DHMWGJHJSA-N 1 1 288.351 1.935 10 5 CDBEMO COC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000452080223 391006697 /nfs/dbraw/zinc/00/66/97/391006697.db2.gz IQANROYYWKFIND-LBPRGKRZSA-N 1 1 282.344 1.540 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000452120524 391068862 /nfs/dbraw/zinc/06/88/62/391068862.db2.gz RHOXXYURWNZCND-LBPRGKRZSA-N 1 1 279.340 1.093 10 5 CDBEMO CC[NH+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000268140097 391282806 /nfs/dbraw/zinc/28/28/06/391282806.db2.gz DAUMBZNDQUHFKP-UHFFFAOYSA-N 1 1 283.303 1.884 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@](O)(CO)C1 ZINC000459635357 392496386 /nfs/dbraw/zinc/49/63/86/392496386.db2.gz PPHAFGOQWOBUEO-SWLSCSKDSA-N 1 1 294.351 1.783 10 5 CDBEMO CCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1C ZINC000430158368 393090565 /nfs/dbraw/zinc/09/05/65/393090565.db2.gz VBOUMJBOHDSLJZ-UHFFFAOYSA-N 1 1 265.313 1.601 10 5 CDBEMO CCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1C ZINC000430158368 393090569 /nfs/dbraw/zinc/09/05/69/393090569.db2.gz VBOUMJBOHDSLJZ-UHFFFAOYSA-N 1 1 265.313 1.601 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138832 393067833 /nfs/dbraw/zinc/06/78/33/393067833.db2.gz IQJYPGVGQRFZBD-MFKMUULPSA-N 1 1 292.339 1.402 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN2CCC1CC2 ZINC000188862646 140103478 /nfs/dbraw/zinc/10/34/78/140103478.db2.gz ZGAFWALSYFULLE-UHFFFAOYSA-N 1 1 291.307 1.221 10 5 CDBEMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343592727 152236409 /nfs/dbraw/zinc/23/64/09/152236409.db2.gz VLXMAGTXUTWGLQ-NXEZZACHSA-N 1 1 295.343 1.311 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000372153361 160085878 /nfs/dbraw/zinc/08/58/78/160085878.db2.gz UFHRCXSHZZEHCU-TVYUQYBPSA-N 1 1 266.297 1.083 10 5 CDBEMO CN(C)CC[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000037184165 173016488 /nfs/dbraw/zinc/01/64/88/173016488.db2.gz FBSLQHHMYROEDK-UHFFFAOYSA-N 1 1 259.256 1.524 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCN1CCOCC1 ZINC000071124320 176034823 /nfs/dbraw/zinc/03/48/23/176034823.db2.gz JPEFVUDPUXRGSR-ZDUSSCGKSA-N 1 1 293.367 1.920 10 5 CDBEMO O=[N+]([O-])c1cccc(N2CCC[N@H+](CCO)CC2)c1 ZINC000071349556 176132461 /nfs/dbraw/zinc/13/24/61/176132461.db2.gz QXIXSIZKFLAYDP-UHFFFAOYSA-N 1 1 265.313 1.099 10 5 CDBEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000078411542 177339295 /nfs/dbraw/zinc/33/92/95/177339295.db2.gz QJULRVNTDGYOLG-JTQLQIEISA-N 1 1 292.339 1.201 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)(C[NH3+])CC1 ZINC000397091562 270346146 /nfs/dbraw/zinc/34/61/46/270346146.db2.gz WASHYXGBKQRSHB-NSHDSACASA-N 1 1 279.340 1.441 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1c([N+](=O)[O-])ncn1C ZINC000265015018 288314779 /nfs/dbraw/zinc/31/47/79/288314779.db2.gz XRAJJMPMHKHFPB-ZJUUUORDSA-N 1 1 265.317 1.001 10 5 CDBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554861011 290195169 /nfs/dbraw/zinc/19/51/69/290195169.db2.gz ZXYBXBNPKJLVIN-AOOOYVTPSA-N 1 1 295.343 1.311 10 5 CDBEMO COC[C@](C)(CCO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000304778404 293251537 /nfs/dbraw/zinc/25/15/37/293251537.db2.gz JLEHQJJUNCTQRT-ZDUSSCGKSA-N 1 1 286.303 1.611 10 5 CDBEMO Cc1ccnc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000285201894 302274126 /nfs/dbraw/zinc/27/41/26/302274126.db2.gz WPFUYHDDLIOONG-VXGBXAGGSA-N 1 1 292.339 1.208 10 5 CDBEMO C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840706 523962216 /nfs/dbraw/zinc/96/22/16/523962216.db2.gz MOGWIMFOKZEMHK-VIFPVBQESA-N 1 1 250.302 1.541 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1CNC[C@]1(O)CC[N@H+](C)C1 ZINC000358142224 525566317 /nfs/dbraw/zinc/56/63/17/525566317.db2.gz QKEGWOPNXJXALI-CQSZACIVSA-N 1 1 279.340 1.059 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000358142224 525566325 /nfs/dbraw/zinc/56/63/25/525566325.db2.gz QKEGWOPNXJXALI-CQSZACIVSA-N 1 1 279.340 1.059 10 5 CDBEMO Cc1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000054822441 526886772 /nfs/dbraw/zinc/88/67/72/526886772.db2.gz VZWAWRIHFRNCFF-UHFFFAOYSA-N 1 1 260.297 1.959 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C1CC1 ZINC000050817990 527504362 /nfs/dbraw/zinc/50/43/62/527504362.db2.gz YTERHTHYONTDIM-UHFFFAOYSA-N 1 1 251.286 1.134 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000928430204 619005926 /nfs/dbraw/zinc/00/59/26/619005926.db2.gz FQOLCJNCDDOKBL-BXKDBHETSA-N 1 1 295.314 1.485 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844437015 695321789 /nfs/dbraw/zinc/32/17/89/695321789.db2.gz KMNGJYYLAUMXGG-LLVKDONJSA-N 1 1 286.282 1.913 10 5 CDBEMO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccccc1[N+](=O)[O-] ZINC000089751488 695718439 /nfs/dbraw/zinc/71/84/39/695718439.db2.gz KRKQZTQMHZFMFC-PSASIEDQSA-N 1 1 277.280 1.051 10 5 CDBEMO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000804625511 695859303 /nfs/dbraw/zinc/85/93/03/695859303.db2.gz SYWBQXKBJDUARP-SNVBAGLBSA-N 1 1 299.758 1.751 10 5 CDBEMO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000804625511 695859304 /nfs/dbraw/zinc/85/93/04/695859304.db2.gz SYWBQXKBJDUARP-SNVBAGLBSA-N 1 1 299.758 1.751 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000853966849 695860798 /nfs/dbraw/zinc/86/07/98/695860798.db2.gz ZGIUMGLDNCFZRP-HNNXBMFYSA-N 1 1 291.351 1.630 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)[C@@H]2C1 ZINC000854600550 695979727 /nfs/dbraw/zinc/97/97/27/695979727.db2.gz YATHIUUYJKZPGA-TVQRCGJNSA-N 1 1 293.298 1.510 10 5 CDBEMO C[N@H+]1CCN(c2cccnc2[N+](=O)[O-])CCC1(C)C ZINC000866109960 1164736444 /nfs/dbraw/zinc/73/64/44/1164736444.db2.gz OWHICZDVEKUZAP-UHFFFAOYSA-N 1 1 264.329 1.910 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001612407512 1165513635 /nfs/dbraw/zinc/51/36/35/1165513635.db2.gz YJXROIGYWFEJOS-MNOVXSKESA-N 1 1 279.344 1.260 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001636801828 1166699400 /nfs/dbraw/zinc/69/94/00/1166699400.db2.gz NDURWFULSIQETG-JTQLQIEISA-N 1 1 292.339 1.391 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC001640548810 1167035290 /nfs/dbraw/zinc/03/52/90/1167035290.db2.gz FMWZEKSHGPACPN-NSHDSACASA-N 1 1 289.339 1.773 10 5 CDBEMO Cc1[nH]c(CNc2ncc([N+](=O)[O-])c(C)n2)c(C)[nH+]1 ZINC001652248678 1171410662 /nfs/dbraw/zinc/41/06/62/1171410662.db2.gz LFJNJUXPQRAQOE-UHFFFAOYSA-N 1 1 262.273 1.645 10 5 CDBEMO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC001655870690 1171735173 /nfs/dbraw/zinc/73/51/73/1171735173.db2.gz PBRJUOMSYPAEBL-GZMMTYOYSA-N 1 1 278.312 1.198 10 5 CDBEMO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC001657899748 1171995581 /nfs/dbraw/zinc/99/55/81/1171995581.db2.gz RBDNVXFZMJYLOQ-ZDUSSCGKSA-N 1 1 273.292 1.813 10 5 CDBEMO CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001661597886 1172414270 /nfs/dbraw/zinc/41/42/70/1172414270.db2.gz FYPVMDUXXNYILN-WRWGMCAJSA-N 1 1 283.372 1.325 10 5 CDBEMO CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001717297118 1180608957 /nfs/dbraw/zinc/60/89/57/1180608957.db2.gz IXWOMOOLXNYXJB-CHWSQXEVSA-N 1 1 297.399 1.668 10 5 CDBEMO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000720462784 723735848 /nfs/dbraw/zinc/73/58/48/723735848.db2.gz LPPKBWCGAYRDEZ-PWSUYJOCSA-N 1 1 294.380 1.982 10 5 CDBEMO O=C1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000716782722 723751539 /nfs/dbraw/zinc/75/15/39/723751539.db2.gz WGASNKCEMHSUQU-LLVKDONJSA-N 1 1 295.364 1.757 10 5 CDBEMO COc1cc(NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000712537349 723949458 /nfs/dbraw/zinc/94/94/58/723949458.db2.gz YKSXFHXUEWQKJA-SNVBAGLBSA-N 1 1 251.286 1.719 10 5 CDBEMO C[N@H+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CCC1(C)C ZINC000712667918 724571915 /nfs/dbraw/zinc/57/19/15/724571915.db2.gz DOIYWUJLXRIAGN-UHFFFAOYSA-N 1 1 279.344 1.493 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)CC[C@H]21 ZINC000866208728 723896147 /nfs/dbraw/zinc/89/61/47/723896147.db2.gz OBGNWIPPJVSQCK-GXSJLCMTSA-N 1 1 277.328 1.102 10 5 CDBEMO O=c1ccn(Cc2[nH+]ccn2CC(F)F)cc1[N+](=O)[O-] ZINC000871655622 724344940 /nfs/dbraw/zinc/34/49/40/724344940.db2.gz UCHHRUYZHSXVMZ-UHFFFAOYSA-N 1 1 284.222 1.266 10 5 CDBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCC1 ZINC000930439441 725233704 /nfs/dbraw/zinc/23/37/04/725233704.db2.gz HUNSRLBJIGKFAR-AWEZNQCLSA-N 1 1 294.351 1.345 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCF)C2)nc1 ZINC000865928015 725455170 /nfs/dbraw/zinc/45/51/70/725455170.db2.gz NZCNPNUXCKXSSX-SNVBAGLBSA-N 1 1 268.292 1.836 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCF)C2)nc1 ZINC000865928015 725455173 /nfs/dbraw/zinc/45/51/73/725455173.db2.gz NZCNPNUXCKXSSX-SNVBAGLBSA-N 1 1 268.292 1.836 10 5 CDBEMO C[C@@H]1C[N@H+](CCCNc2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001639228994 1166914696 /nfs/dbraw/zinc/91/46/96/1166914696.db2.gz AGVNMNGWXZKAPE-PHIMTYICSA-N 1 1 297.359 1.240 10 5 CDBEMO CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268449672 902074450 /nfs/dbraw/zinc/07/44/50/902074450.db2.gz KZQDQYOCKNZIJR-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC001186528356 920059279 /nfs/dbraw/zinc/05/92/79/920059279.db2.gz RESNWFRKJMYQGM-LLVKDONJSA-N 1 1 293.371 1.639 10 5 CDBEMO Nc1ccc(NC(=O)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001141767221 936937189 /nfs/dbraw/zinc/93/71/89/936937189.db2.gz 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ZINC001620474612 1165654407 /nfs/dbraw/zinc/65/44/07/1165654407.db2.gz SOAPSZKYYHUNQQ-QWRGUYRKSA-N 1 1 292.291 1.208 10 5 CDBEMO CC(C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001627169730 1165981731 /nfs/dbraw/zinc/98/17/31/1165981731.db2.gz RRTOYBITXRHDTO-UHFFFAOYSA-N 1 1 280.328 1.247 10 5 CDBEMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H](C)[N@H+]1C ZINC001647018797 1168351938 /nfs/dbraw/zinc/35/19/38/1168351938.db2.gz LTQPHHDGGKGIQF-AOOOYVTPSA-N 1 1 292.339 1.342 10 5 CDBEMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H](C)[N@@H+]1C ZINC001647018797 1168351943 /nfs/dbraw/zinc/35/19/43/1168351943.db2.gz LTQPHHDGGKGIQF-AOOOYVTPSA-N 1 1 292.339 1.342 10 5 CDBEMO Cn1cc(C[N@@H+]2CC[C@H](c3cnccn3)C2)c([N+](=O)[O-])n1 ZINC001648443305 1169131403 /nfs/dbraw/zinc/13/14/03/1169131403.db2.gz QJBNRTZHDOBMOU-JTQLQIEISA-N 1 1 288.311 1.108 10 5 CDBEMO Cn1cc(C[N@H+]2CC[C@H](c3cnccn3)C2)c([N+](=O)[O-])n1 ZINC001648443305 1169131406 /nfs/dbraw/zinc/13/14/06/1169131406.db2.gz QJBNRTZHDOBMOU-JTQLQIEISA-N 1 1 288.311 1.108 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1cccs1 ZINC001731770560 1182565119 /nfs/dbraw/zinc/56/51/19/1182565119.db2.gz XCFXIRWOQOEYHS-VXGBXAGGSA-N 1 1 297.380 1.004 10 5 CDBEMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1cccs1 ZINC001731770560 1182565123 /nfs/dbraw/zinc/56/51/23/1182565123.db2.gz XCFXIRWOQOEYHS-VXGBXAGGSA-N 1 1 297.380 1.004 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCc1cccs1 ZINC001731770560 1182565128 /nfs/dbraw/zinc/56/51/28/1182565128.db2.gz XCFXIRWOQOEYHS-VXGBXAGGSA-N 1 1 297.380 1.004 10 5 CDBEMO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000712537418 726074308 /nfs/dbraw/zinc/07/43/08/726074308.db2.gz CTEWUGALMGHFEG-ZETCQYMHSA-N 1 1 254.265 1.432 10 5 CDBEMO C[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000712537418 726074312 /nfs/dbraw/zinc/07/43/12/726074312.db2.gz CTEWUGALMGHFEG-ZETCQYMHSA-N 1 1 254.265 1.432 10 5 CDBEMO COC(=O)C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1C 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STQOMOLJCPLURG-NWANDNLSSA-N 1 1 294.351 1.721 10 5 CDBEMO COC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852568574 727332286 /nfs/dbraw/zinc/33/22/86/727332286.db2.gz JWHJXOHUCFBVIL-UHFFFAOYSA-N 1 1 299.302 1.864 10 5 CDBEMO COC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852568574 727332290 /nfs/dbraw/zinc/33/22/90/727332290.db2.gz JWHJXOHUCFBVIL-UHFFFAOYSA-N 1 1 299.302 1.864 10 5 CDBEMO O=[N+]([O-])CC[NH+]1CCC(Cc2nccs2)CC1 ZINC000931462971 727383511 /nfs/dbraw/zinc/38/35/11/727383511.db2.gz BGPVDLFKENPNCV-UHFFFAOYSA-N 1 1 255.343 1.674 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000866207337 727447198 /nfs/dbraw/zinc/44/71/98/727447198.db2.gz HVWZJDGLYRJDDF-JOYOIKCWSA-N 1 1 280.303 1.659 10 5 CDBEMO Cc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000866204840 727869562 /nfs/dbraw/zinc/86/95/62/727869562.db2.gz GWQBWIZNJBVTKZ-NEPJUHHUSA-N 1 1 276.340 1.829 10 5 CDBEMO Cc1ccc(CN[C@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] 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1.424 10 5 CDBEMO CN1C(=O)C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC001119850795 937759822 /nfs/dbraw/zinc/75/98/22/937759822.db2.gz CFNSVVYJPJBGHY-AAEUAGOBSA-N 1 1 297.742 1.478 10 5 CDBEMO O=C1OC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]12 ZINC001473693060 970830728 /nfs/dbraw/zinc/83/07/28/970830728.db2.gz CYQVYHGCLSJDJX-IUCAKERBSA-N 1 1 280.255 1.339 10 5 CDBEMO O=C1OC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@H]12 ZINC001473693060 970830733 /nfs/dbraw/zinc/83/07/33/970830733.db2.gz CYQVYHGCLSJDJX-IUCAKERBSA-N 1 1 280.255 1.339 10 5 CDBEMO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001329297377 955806387 /nfs/dbraw/zinc/80/63/87/955806387.db2.gz GHQUZOIKVDYQHD-NWDGAFQWSA-N 1 1 276.340 1.829 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC001348546428 966051857 /nfs/dbraw/zinc/05/18/57/966051857.db2.gz HIPYOUBPMMAUCI-QWRGUYRKSA-N 1 1 262.313 1.520 10 5 CDBEMO O=C(CC[N@H+]1CC[C@@H](F)C1)Nc1cccc([N+](=O)[O-])c1 ZINC001538807253 967071605 /nfs/dbraw/zinc/07/16/05/967071605.db2.gz GJWSPBSGCUYTHW-SNVBAGLBSA-N 1 1 281.287 1.967 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)n1 ZINC001458077772 969258653 /nfs/dbraw/zinc/25/86/53/969258653.db2.gz PYOZCIRKHBMKNI-PHIMTYICSA-N 1 1 292.339 1.463 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)n1 ZINC001458077772 969258661 /nfs/dbraw/zinc/25/86/61/969258661.db2.gz PYOZCIRKHBMKNI-PHIMTYICSA-N 1 1 292.339 1.463 10 5 CDBEMO CN(CC(C)(C)C[NH2+]CCCF)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001674831951 1174013901 /nfs/dbraw/zinc/01/39/01/1174013901.db2.gz GOBFGBABDPDOQE-GHMZBOCLSA-N 1 1 289.351 1.085 10 5 CDBEMO CC(C)[N@@H+](C)CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587780368 342486296 /nfs/dbraw/zinc/48/62/96/342486296.db2.gz KEUVOXHYVAROQC-UHFFFAOYSA-N 1 1 282.344 1.421 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000590445634 342546429 /nfs/dbraw/zinc/54/64/29/342546429.db2.gz REZFNDIWYPXTFL-RISCZKNCSA-N 1 1 289.335 1.679 10 5 CDBEMO [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000593735040 342830891 /nfs/dbraw/zinc/83/08/91/342830891.db2.gz VQXNXTBNQROUCN-WFASDCNBSA-N 1 1 291.351 1.861 10 5 CDBEMO [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000593735040 342830892 /nfs/dbraw/zinc/83/08/92/342830892.db2.gz VQXNXTBNQROUCN-WFASDCNBSA-N 1 1 291.351 1.861 10 5 CDBEMO CC(C)[C@@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000600712855 342243757 /nfs/dbraw/zinc/24/37/57/342243757.db2.gz BOJCFFLBPMZBLS-AWEZNQCLSA-N 1 1 279.340 1.730 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000048768615 342271770 /nfs/dbraw/zinc/27/17/70/342271770.db2.gz AAPGCBNACJJICO-NSHDSACASA-N 1 1 278.312 1.811 10 5 CDBEMO Cc1noc(C[NH+]2CCC(C3(O)CC3)CC2)c1[N+](=O)[O-] ZINC000595565309 343100029 /nfs/dbraw/zinc/10/00/29/343100029.db2.gz BEGYWNNHQSYKGB-UHFFFAOYSA-N 1 1 281.312 1.628 10 5 CDBEMO Cc1noc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1[N+](=O)[O-] ZINC000595781543 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1.682 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000182745347 281021260 /nfs/dbraw/zinc/02/12/60/281021260.db2.gz KCCHFFXRILPTSH-NSHDSACASA-N 1 1 277.324 1.786 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC000182745347 281021263 /nfs/dbraw/zinc/02/12/63/281021263.db2.gz KCCHFFXRILPTSH-NSHDSACASA-N 1 1 277.324 1.786 10 5 CDBEMO CC(=O)N1CCC[N@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050816763 519530218 /nfs/dbraw/zinc/53/02/18/519530218.db2.gz WYWGYWQURFYIJQ-UHFFFAOYSA-N 1 1 292.339 1.231 10 5 CDBEMO CC(=O)N1CCC[N@@H+](Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050816763 519530223 /nfs/dbraw/zinc/53/02/23/519530223.db2.gz WYWGYWQURFYIJQ-UHFFFAOYSA-N 1 1 292.339 1.231 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000062540306 521072784 /nfs/dbraw/zinc/07/27/84/521072784.db2.gz KVNPSPMVJIKUPH-JTQLQIEISA-N 1 1 298.295 1.263 10 5 CDBEMO C[N@H+]1CCCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC000050454828 523812327 /nfs/dbraw/zinc/81/23/27/523812327.db2.gz JGAZZMSOBMHVTG-UHFFFAOYSA-N 1 1 271.708 1.180 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000062540082 523912218 /nfs/dbraw/zinc/91/22/18/523912218.db2.gz CZMSDNDSRWKJRB-SNVBAGLBSA-N 1 1 268.269 1.172 10 5 CDBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000062727281 527397596 /nfs/dbraw/zinc/39/75/96/527397596.db2.gz OCJHJSUJNHOPCH-GFCCVEGCSA-N 1 1 264.325 1.842 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1CCO ZINC000050792869 527503880 /nfs/dbraw/zinc/50/38/80/527503880.db2.gz XERBQJJYZANXGQ-LBPRGKRZSA-N 1 1 279.340 1.914 10 5 CDBEMO COc1cc(F)c([N+](=O)[O-])c(NCC[NH+]2CCC2)c1 ZINC000771258297 575562687 /nfs/dbraw/zinc/56/26/87/575562687.db2.gz XCEGILQZAWCWCI-UHFFFAOYSA-N 1 1 269.276 1.860 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000928430038 619002013 /nfs/dbraw/zinc/00/20/13/619002013.db2.gz FGRWXUCPBLOONR-CABZTGNLSA-N 1 1 295.314 1.485 10 5 CDBEMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@H+]1C ZINC000895770274 619836570 /nfs/dbraw/zinc/83/65/70/619836570.db2.gz ZGYVZTSREXAQRC-NSHDSACASA-N 1 1 263.297 1.913 10 5 CDBEMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@@H+]1C ZINC000895770274 619836571 /nfs/dbraw/zinc/83/65/71/619836571.db2.gz ZGYVZTSREXAQRC-NSHDSACASA-N 1 1 263.297 1.913 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000913538877 630541273 /nfs/dbraw/zinc/54/12/73/630541273.db2.gz UFGQCFQEGQLVCP-BETUJISGSA-N 1 1 289.335 1.442 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](OC)C2)c1 ZINC000811464097 1163487952 /nfs/dbraw/zinc/48/79/52/1163487952.db2.gz PICFFIMYSFSMTE-GFCCVEGCSA-N 1 1 294.307 1.602 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](OC)C2)c1 ZINC000811464097 1163487958 /nfs/dbraw/zinc/48/79/58/1163487958.db2.gz PICFFIMYSFSMTE-GFCCVEGCSA-N 1 1 294.307 1.602 10 5 CDBEMO Cc1nc([C@@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)no1 ZINC001648304907 1169117108 /nfs/dbraw/zinc/11/71/08/1169117108.db2.gz MAKJZJIWFDZNAL-SECBINFHSA-N 1 1 292.299 1.009 10 5 CDBEMO Cc1nc([C@@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)no1 ZINC001648304907 1169117112 /nfs/dbraw/zinc/11/71/12/1169117112.db2.gz MAKJZJIWFDZNAL-SECBINFHSA-N 1 1 292.299 1.009 10 5 CDBEMO C[C@@H](CO)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001653407061 1171542873 /nfs/dbraw/zinc/54/28/73/1171542873.db2.gz CGRAPBIMQZLJPM-VIFPVBQESA-N 1 1 292.295 1.457 10 5 CDBEMO C[C@@H](CO)[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001653407061 1171542878 /nfs/dbraw/zinc/54/28/78/1171542878.db2.gz CGRAPBIMQZLJPM-VIFPVBQESA-N 1 1 292.295 1.457 10 5 CDBEMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001655712842 1171718703 /nfs/dbraw/zinc/71/87/03/1171718703.db2.gz KLNWFVUCSYGUIS-LLVKDONJSA-N 1 1 285.307 1.769 10 5 CDBEMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001655712842 1171718706 /nfs/dbraw/zinc/71/87/06/1171718706.db2.gz KLNWFVUCSYGUIS-LLVKDONJSA-N 1 1 285.307 1.769 10 5 CDBEMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC1 ZINC001664510617 1172863885 /nfs/dbraw/zinc/86/38/85/1172863885.db2.gz RBNBIMFIOUHAIL-CHWSQXEVSA-N 1 1 283.372 1.278 10 5 CDBEMO CC(C)[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC1 ZINC001664510617 1172863887 /nfs/dbraw/zinc/86/38/87/1172863887.db2.gz RBNBIMFIOUHAIL-CHWSQXEVSA-N 1 1 283.372 1.278 10 5 CDBEMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CC1 ZINC001664510617 1172863894 /nfs/dbraw/zinc/86/38/94/1172863894.db2.gz RBNBIMFIOUHAIL-CHWSQXEVSA-N 1 1 283.372 1.278 10 5 CDBEMO Cc1[nH+]ccn1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001598388402 1174314775 /nfs/dbraw/zinc/31/47/75/1174314775.db2.gz UILIOIFHKRFCPS-UHFFFAOYSA-N 1 1 268.317 1.143 10 5 CDBEMO COc1cc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000213824995 1175802876 /nfs/dbraw/zinc/80/28/76/1175802876.db2.gz SLGHUUOWTRRXCM-JTQLQIEISA-N 1 1 295.339 1.976 10 5 CDBEMO Cc1ccc([C@H](C)[NH2+][C@@H]2CNOC2)cc1[N+](=O)[O-] ZINC000925864169 730468901 /nfs/dbraw/zinc/46/89/01/730468901.db2.gz IOGCZDFOCMJGLA-GXSJLCMTSA-N 1 1 251.286 1.457 10 5 CDBEMO O=[N+]([O-])CC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000931076636 730538767 /nfs/dbraw/zinc/53/87/67/730538767.db2.gz SAAIXZIDCWACHR-UHFFFAOYSA-N 1 1 253.277 1.677 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866204930 731076515 /nfs/dbraw/zinc/07/65/15/731076515.db2.gz HYAOGZCOHYSSMD-WCQYABFASA-N 1 1 276.340 1.829 10 5 CDBEMO C[C@@H]1C[N@H+](CCO)CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000829577954 731403157 /nfs/dbraw/zinc/40/31/57/731403157.db2.gz SKNXGXPGMSTEOD-SNVBAGLBSA-N 1 1 283.303 1.237 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000829577954 731403160 /nfs/dbraw/zinc/40/31/60/731403160.db2.gz SKNXGXPGMSTEOD-SNVBAGLBSA-N 1 1 283.303 1.237 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865809287 731632297 /nfs/dbraw/zinc/63/22/97/731632297.db2.gz MLUZZCYDGNPGCV-NSHDSACASA-N 1 1 295.314 1.487 10 5 CDBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774629 731834278 /nfs/dbraw/zinc/83/42/78/731834278.db2.gz FPTQJPNSDLWSRH-KOLCDFICSA-N 1 1 295.314 1.820 10 5 CDBEMO C[C@@H]([NH2+]C/C=C/CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872086188 731886350 /nfs/dbraw/zinc/88/63/50/731886350.db2.gz VBPZZXGBJVDAQZ-GKQMSVHHSA-N 1 1 254.261 1.933 10 5 CDBEMO CC(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173692 731971613 /nfs/dbraw/zinc/97/16/13/731971613.db2.gz JAVAZIHUBIPPBG-ZDUSSCGKSA-N 1 1 264.281 1.732 10 5 CDBEMO CC(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173692 731971620 /nfs/dbraw/zinc/97/16/20/731971620.db2.gz JAVAZIHUBIPPBG-ZDUSSCGKSA-N 1 1 264.281 1.732 10 5 CDBEMO Cc1nn(C)c(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866208910 732041632 /nfs/dbraw/zinc/04/16/32/732041632.db2.gz XHMGOEUHOHPBKK-MNOVXSKESA-N 1 1 279.344 1.167 10 5 CDBEMO CC[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C(C)(C)C1 ZINC001635809832 1166624456 /nfs/dbraw/zinc/62/44/56/1166624456.db2.gz XPIUHLBKKJZIBP-LLVKDONJSA-N 1 1 280.328 1.383 10 5 CDBEMO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001270743023 905005615 /nfs/dbraw/zinc/00/56/15/905005615.db2.gz GXIFBLXIVSMTFE-CHWSQXEVSA-N 1 1 295.383 1.636 10 5 CDBEMO COC(=O)C[C@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC001197104363 925056374 /nfs/dbraw/zinc/05/63/74/925056374.db2.gz BPWHZKCLTGNKSU-ZDUSSCGKSA-N 1 1 297.311 1.713 10 5 CDBEMO CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](C(C)C)CC1 ZINC001490615731 927261342 /nfs/dbraw/zinc/26/13/42/927261342.db2.gz AKZVFHFUEGRROP-ZIAGYGMSSA-N 1 1 297.399 1.763 10 5 CDBEMO Cc1nc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC001331908551 957327773 /nfs/dbraw/zinc/32/77/73/957327773.db2.gz WRCREAPLOXWLPH-MNOVXSKESA-N 1 1 277.328 1.224 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001473544568 969808619 /nfs/dbraw/zinc/80/86/19/969808619.db2.gz DAPYGNFAPXHYLY-NWDGAFQWSA-N 1 1 294.355 1.457 10 5 CDBEMO C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+]1C ZINC000587985122 342489005 /nfs/dbraw/zinc/48/90/05/342489005.db2.gz VGNVKGRMBHCHOJ-GXSJLCMTSA-N 1 1 294.355 1.564 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H](C)O)c1 ZINC000589511519 342508371 /nfs/dbraw/zinc/50/83/71/342508371.db2.gz QXVBOPCBSWLVHA-SECBINFHSA-N 1 1 282.296 1.194 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H](C)O)c1 ZINC000589511519 342508372 /nfs/dbraw/zinc/50/83/72/342508372.db2.gz QXVBOPCBSWLVHA-SECBINFHSA-N 1 1 282.296 1.194 10 5 CDBEMO COc1cc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590010428 342519331 /nfs/dbraw/zinc/51/93/31/342519331.db2.gz IZZFDVFNYVREQJ-JSGCOSHPSA-N 1 1 291.351 1.739 10 5 CDBEMO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727463 342829818 /nfs/dbraw/zinc/82/98/18/342829818.db2.gz LJLUKNJDSMZGLT-VHSXEESVSA-N 1 1 265.313 1.483 10 5 CDBEMO COc1cc(C[N@@H+](C)C[C@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000595739261 343136046 /nfs/dbraw/zinc/13/60/46/343136046.db2.gz YRSOJSCGTYYHNK-LBPRGKRZSA-N 1 1 296.323 1.451 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC(CO)(CO)C1 ZINC000595806220 343158985 /nfs/dbraw/zinc/15/89/85/343158985.db2.gz JRGDZHFDBPWJFT-GFCCVEGCSA-N 1 1 294.351 1.641 10 5 CDBEMO O=C1NCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000596057804 343222602 /nfs/dbraw/zinc/22/26/02/343222602.db2.gz VYUBTJXRJIBKCW-JTQLQIEISA-N 1 1 269.688 1.226 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596090385 343233988 /nfs/dbraw/zinc/23/39/88/343233988.db2.gz CWVABCRJNRHDCD-JTQLQIEISA-N 1 1 278.312 1.200 10 5 CDBEMO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000596438941 343321699 /nfs/dbraw/zinc/32/16/99/343321699.db2.gz AOOYKLMYDHCOOH-SNVBAGLBSA-N 1 1 294.355 1.536 10 5 CDBEMO Cc1ccc(C[N@H+]2CCC(CO)(CO)C2)cc1[N+](=O)[O-] ZINC000597219198 343483470 /nfs/dbraw/zinc/48/34/70/343483470.db2.gz NCICIBNNOUVTHV-UHFFFAOYSA-N 1 1 280.324 1.080 10 5 CDBEMO CC[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598531619 343826815 /nfs/dbraw/zinc/82/68/15/343826815.db2.gz MRWHZIIDNQTISB-GXSJLCMTSA-N 1 1 293.323 1.513 10 5 CDBEMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000536638822 282335582 /nfs/dbraw/zinc/33/55/82/282335582.db2.gz NZXDVPVXKVBCRA-UWVGGRQHSA-N 1 1 278.312 1.154 10 5 CDBEMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000536638822 282335586 /nfs/dbraw/zinc/33/55/86/282335586.db2.gz NZXDVPVXKVBCRA-UWVGGRQHSA-N 1 1 278.312 1.154 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000604199754 344865410 /nfs/dbraw/zinc/86/54/10/344865410.db2.gz UXLIDXGZQUWKHX-LBPRGKRZSA-N 1 1 277.324 1.348 10 5 CDBEMO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCN(C)CC1 ZINC000344427204 362775081 /nfs/dbraw/zinc/77/50/81/362775081.db2.gz ZXAOMWVKCOJRJR-LLVKDONJSA-N 1 1 279.344 1.038 10 5 CDBEMO C[N@@H+](CCCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000281979139 351504745 /nfs/dbraw/zinc/50/47/45/351504745.db2.gz WDBIRGYDGMWOHN-UHFFFAOYSA-N 1 1 268.313 1.678 10 5 CDBEMO C[C@@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000273649233 192246104 /nfs/dbraw/zinc/24/61/04/192246104.db2.gz UDPPEUAEVVCCDC-SNVBAGLBSA-N 1 1 265.317 1.671 10 5 CDBEMO Cc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360065385 356570428 /nfs/dbraw/zinc/57/04/28/356570428.db2.gz HTBAGNCNLKLCGE-LLVKDONJSA-N 1 1 297.330 1.545 10 5 CDBEMO Cc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360065385 356570434 /nfs/dbraw/zinc/57/04/34/356570434.db2.gz HTBAGNCNLKLCGE-LLVKDONJSA-N 1 1 297.330 1.545 10 5 CDBEMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000331181071 357118423 /nfs/dbraw/zinc/11/84/23/357118423.db2.gz HURIHSQNFUNRNM-VHSXEESVSA-N 1 1 295.343 1.024 10 5 CDBEMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@H+]1C ZINC000408227048 358448395 /nfs/dbraw/zinc/44/83/95/358448395.db2.gz QPXPTMHJFRCNLN-UWVGGRQHSA-N 1 1 280.328 1.478 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCNC1=O ZINC000340224748 359612612 /nfs/dbraw/zinc/61/26/12/359612612.db2.gz BTRXQFBPLIRCNP-SKDRFNHKSA-N 1 1 263.297 1.476 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCNC1=O ZINC000340224748 359612614 /nfs/dbraw/zinc/61/26/14/359612614.db2.gz BTRXQFBPLIRCNP-SKDRFNHKSA-N 1 1 263.297 1.476 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC000548091092 360088933 /nfs/dbraw/zinc/08/89/33/360088933.db2.gz MXWVKBIZCANGQR-KOLCDFICSA-N 1 1 295.343 1.120 10 5 CDBEMO CSCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000178882698 372217674 /nfs/dbraw/zinc/21/76/74/372217674.db2.gz WLUTXBIYALRRPO-SNVBAGLBSA-N 1 1 282.369 1.839 10 5 CDBEMO Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266046202 373784342 /nfs/dbraw/zinc/78/43/42/373784342.db2.gz FAVBRXPCIQGOLA-WCBMZHEXSA-N 1 1 295.343 1.181 10 5 CDBEMO Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266046202 373784356 /nfs/dbraw/zinc/78/43/56/373784356.db2.gz FAVBRXPCIQGOLA-WCBMZHEXSA-N 1 1 295.343 1.181 10 5 CDBEMO Cc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000266046202 373784364 /nfs/dbraw/zinc/78/43/64/373784364.db2.gz FAVBRXPCIQGOLA-WCBMZHEXSA-N 1 1 295.343 1.181 10 5 CDBEMO Cc1ccnc(NC[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000115516254 374412622 /nfs/dbraw/zinc/41/26/22/374412622.db2.gz JBRXPVGWKDSLOW-JTQLQIEISA-N 1 1 250.302 1.804 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000358141762 375952838 /nfs/dbraw/zinc/95/28/38/375952838.db2.gz QKEGWOPNXJXALI-AWEZNQCLSA-N 1 1 279.340 1.059 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000358141762 375952845 /nfs/dbraw/zinc/95/28/45/375952845.db2.gz QKEGWOPNXJXALI-AWEZNQCLSA-N 1 1 279.340 1.059 10 5 CDBEMO C[C@H]1C[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000279219238 194338965 /nfs/dbraw/zinc/33/89/65/194338965.db2.gz OSZNHFUUWFAAJU-RYUDHWBXSA-N 1 1 291.351 1.941 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000489874769 253014760 /nfs/dbraw/zinc/01/47/60/253014760.db2.gz MVADBNCKTFBWJM-SECBINFHSA-N 1 1 259.269 1.613 10 5 CDBEMO Cc1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000071349659 390486352 /nfs/dbraw/zinc/48/63/52/390486352.db2.gz MDIVERCJWBRQFN-UHFFFAOYSA-N 1 1 279.340 1.408 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000408111828 391410157 /nfs/dbraw/zinc/41/01/57/391410157.db2.gz GCAPCKCRKLBCNT-VIFPVBQESA-N 1 1 278.312 1.074 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000408111828 391410162 /nfs/dbraw/zinc/41/01/62/391410162.db2.gz GCAPCKCRKLBCNT-VIFPVBQESA-N 1 1 278.312 1.074 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596091588 392621074 /nfs/dbraw/zinc/62/10/74/392621074.db2.gz OACXKFHWMXVQQG-QMMMGPOBSA-N 1 1 252.274 1.202 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000153108401 392638552 /nfs/dbraw/zinc/63/85/52/392638552.db2.gz XQQPDEWBFRHJRY-UONOGXRCSA-N 1 1 277.324 1.422 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000176217657 148028812 /nfs/dbraw/zinc/02/88/12/148028812.db2.gz IVMALJHXTUDRKF-RYUDHWBXSA-N 1 1 280.328 1.435 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000176217657 148028814 /nfs/dbraw/zinc/02/88/14/148028814.db2.gz IVMALJHXTUDRKF-RYUDHWBXSA-N 1 1 280.328 1.435 10 5 CDBEMO CC[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352544978 155262801 /nfs/dbraw/zinc/26/28/01/155262801.db2.gz FKTVUOKVEWIRIR-UHFFFAOYSA-N 1 1 268.313 1.808 10 5 CDBEMO CC[N@H+]1CCC[C@@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000040503196 174299664 /nfs/dbraw/zinc/29/96/64/174299664.db2.gz GLWYGVWAIJNKEW-SNVBAGLBSA-N 1 1 250.302 1.886 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCN1CC[NH2+]CC1 ZINC000071148678 176044509 /nfs/dbraw/zinc/04/45/09/176044509.db2.gz UOTNQUKMDMBUHC-CYBMUJFWSA-N 1 1 292.383 1.493 10 5 CDBEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000071193100 176075076 /nfs/dbraw/zinc/07/50/76/176075076.db2.gz QFORHUCBJRBAKQ-SNVBAGLBSA-N 1 1 292.339 1.201 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1-c1nnc(CCC[NH3+])[nH]1 ZINC000072237774 176346384 /nfs/dbraw/zinc/34/63/84/176346384.db2.gz LXLFLVNSGNVZDE-UHFFFAOYSA-N 1 1 277.284 1.280 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000076489305 177027535 /nfs/dbraw/zinc/02/75/35/177027535.db2.gz ANIVEYSNICBXEP-GHMZBOCLSA-N 1 1 295.339 1.990 10 5 CDBEMO O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CCn4cc[nH+]c4C3)[nH]c2c1 ZINC000447672979 275037507 /nfs/dbraw/zinc/03/75/07/275037507.db2.gz WAQGZCWJGJMWKU-VIFPVBQESA-N 1 1 298.306 1.516 10 5 CDBEMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155147418 278706402 /nfs/dbraw/zinc/70/64/02/278706402.db2.gz LXBZPJBVVLXETJ-GHMZBOCLSA-N 1 1 277.324 1.759 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000562383103 293148719 /nfs/dbraw/zinc/14/87/19/293148719.db2.gz XIUWRVGQBXLLPZ-MPKXVKKWSA-N 1 1 280.324 1.331 10 5 CDBEMO Cc1cnc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000285004850 302352438 /nfs/dbraw/zinc/35/24/38/302352438.db2.gz MCDHDICWWVVVLD-QWHCGFSZSA-N 1 1 292.339 1.208 10 5 CDBEMO CC[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840701 521717800 /nfs/dbraw/zinc/71/78/00/521717800.db2.gz YHYNFIBWKFYMHA-SNVBAGLBSA-N 1 1 264.329 1.931 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000062540080 523601043 /nfs/dbraw/zinc/60/10/43/523601043.db2.gz CZMSDNDSRWKJRB-JTQLQIEISA-N 1 1 268.269 1.172 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050708176 523799032 /nfs/dbraw/zinc/79/90/32/523799032.db2.gz KDDPFXMAJHYJBZ-NSHDSACASA-N 1 1 292.339 1.391 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@H](C)Oc1cc([N+](=O)[O-])ccc1C ZINC000068651301 523819061 /nfs/dbraw/zinc/81/90/61/523819061.db2.gz UXAKGJGJFZABRL-HZMBPMFUSA-N 1 1 296.323 1.951 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000062595615 523911629 /nfs/dbraw/zinc/91/16/29/523911629.db2.gz SVVABRNGCXKYNV-SNVBAGLBSA-N 1 1 282.296 1.481 10 5 CDBEMO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000299907316 524514094 /nfs/dbraw/zinc/51/40/94/524514094.db2.gz RSRMPSSBUMLVBF-ZWNOBZJWSA-N 1 1 250.298 1.798 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761084150 576545244 /nfs/dbraw/zinc/54/52/44/576545244.db2.gz ADAZDASTBKDXDR-MFKMUULPSA-N 1 1 275.308 1.936 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761084150 576545246 /nfs/dbraw/zinc/54/52/46/576545246.db2.gz ADAZDASTBKDXDR-MFKMUULPSA-N 1 1 275.308 1.936 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928458416 619121866 /nfs/dbraw/zinc/12/18/66/619121866.db2.gz VZXBCNZBBDSBGL-AZLLNVJASA-N 1 1 289.335 1.817 10 5 CDBEMO Cc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000899910296 622531570 /nfs/dbraw/zinc/53/15/70/622531570.db2.gz DHNGKXOGOFOQSX-SMDDNHRTSA-N 1 1 293.323 1.297 10 5 CDBEMO Cc1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000899910296 622531573 /nfs/dbraw/zinc/53/15/73/622531573.db2.gz DHNGKXOGOFOQSX-SMDDNHRTSA-N 1 1 293.323 1.297 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000902927004 625643891 /nfs/dbraw/zinc/64/38/91/625643891.db2.gz YLVDXOWFACKCIG-CABZTGNLSA-N 1 1 278.312 1.809 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3cc(N)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000866209291 1164752887 /nfs/dbraw/zinc/75/28/87/1164752887.db2.gz QKKWADGPCWUJJU-ZYHUDNBSSA-N 1 1 276.340 1.707 10 5 CDBEMO CC(C)[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001717523627 1180722655 /nfs/dbraw/zinc/72/26/55/1180722655.db2.gz YKQHYXXFSWVXPJ-VXGBXAGGSA-N 1 1 283.372 1.469 10 5 CDBEMO O=C(N[C@H]1C[C@H]([NH2+]CCCCCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001731445269 1182391727 /nfs/dbraw/zinc/39/17/27/1182391727.db2.gz ZNDDFSAVGLJANK-DDHJBXDOSA-N 1 1 287.335 1.028 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000302782309 1186508669 /nfs/dbraw/zinc/50/86/69/1186508669.db2.gz SNKKJFNNUQUWSN-NSHDSACASA-N 1 1 264.329 1.829 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928448226 736107334 /nfs/dbraw/zinc/10/73/34/736107334.db2.gz BRGQTVUJCRPPNH-JOYOIKCWSA-N 1 1 293.323 1.426 10 5 CDBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749736 733169072 /nfs/dbraw/zinc/16/90/72/733169072.db2.gz SLRWOCDKOPPESZ-CYSMCQCQSA-N 1 1 292.335 1.426 10 5 CDBEMO CON(C)C(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796113555 733349380 /nfs/dbraw/zinc/34/93/80/733349380.db2.gz NEJZIRBJUBNZKZ-UHFFFAOYSA-N 1 1 281.312 1.089 10 5 CDBEMO CON(C)C(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796113555 733349384 /nfs/dbraw/zinc/34/93/84/733349384.db2.gz NEJZIRBJUBNZKZ-UHFFFAOYSA-N 1 1 281.312 1.089 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000794955252 733511897 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/nfs/dbraw/zinc/37/69/36/174376936.db2.gz SXJKFDXKVMAIPL-JTQLQIEISA-N 1 1 281.287 1.558 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000043511952 175060386 /nfs/dbraw/zinc/06/03/86/175060386.db2.gz KVBOZGJRYHTJMY-SNVBAGLBSA-N 1 1 299.352 1.397 10 5 CDBEMO Cc1c([N+](=O)[O-])cccc1N1CCC[N@@H+](CCO)CC1 ZINC000071349517 176132786 /nfs/dbraw/zinc/13/27/86/176132786.db2.gz JQNUAQKEHQVNGX-UHFFFAOYSA-N 1 1 279.340 1.408 10 5 CDBEMO Cc1cc(N2CCC[N@@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000071349665 176133740 /nfs/dbraw/zinc/13/37/40/176133740.db2.gz IGIXTRNNEHIQDW-UHFFFAOYSA-N 1 1 279.340 1.408 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000302783725 276077343 /nfs/dbraw/zinc/07/73/43/276077343.db2.gz UDYABGCWLCCXEA-SNVBAGLBSA-N 1 1 267.333 1.167 10 5 CDBEMO Cc1cccc(N2CC[N@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302480100 281227960 /nfs/dbraw/zinc/22/79/60/281227960.db2.gz GHMPWEFCRGXHFE-GFCCVEGCSA-N 1 1 279.340 1.406 10 5 CDBEMO Cc1cccc(N2CC[N@@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302480100 281227962 /nfs/dbraw/zinc/22/79/62/281227962.db2.gz GHMPWEFCRGXHFE-GFCCVEGCSA-N 1 1 279.340 1.406 10 5 CDBEMO Cc1cccc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000302476471 281231206 /nfs/dbraw/zinc/23/12/06/281231206.db2.gz FEJXJRFMFNECMS-CHWSQXEVSA-N 1 1 277.324 1.422 10 5 CDBEMO [NH3+]CC(F)(F)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000565148336 293530582 /nfs/dbraw/zinc/53/05/82/293530582.db2.gz QTCRQARDTGGVSE-UHFFFAOYSA-N 1 1 273.239 1.195 10 5 CDBEMO C[C@H](CO)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000309583110 1159542271 /nfs/dbraw/zinc/54/22/71/1159542271.db2.gz QZBIAXRFEUUPJZ-SSDOTTSWSA-N 1 1 289.129 1.828 10 5 CDBEMO CC(C)C[N@@H+](CC(N)=O)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815804 519714654 /nfs/dbraw/zinc/71/46/54/519714654.db2.gz ASXXFIKWWSLGCU-UHFFFAOYSA-N 1 1 280.328 1.120 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000062595614 523601226 /nfs/dbraw/zinc/60/12/26/523601226.db2.gz SVVABRNGCXKYNV-JTQLQIEISA-N 1 1 282.296 1.481 10 5 CDBEMO C[N@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@]2(C)C1 ZINC000896912958 620303599 /nfs/dbraw/zinc/30/35/99/620303599.db2.gz LTCQBOADUWADSJ-MFKMUULPSA-N 1 1 262.313 1.378 10 5 CDBEMO C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000921807663 633312266 /nfs/dbraw/zinc/31/22/66/633312266.db2.gz RNVAOJXIKKQOHZ-GHMZBOCLSA-N 1 1 292.339 1.659 10 5 CDBEMO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2N)c(C)[nH+]1 ZINC001646073951 1167634771 /nfs/dbraw/zinc/63/47/71/1167634771.db2.gz FFDFQXYHOQXSAK-UHFFFAOYSA-N 1 1 289.295 1.447 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC001655509547 1171699584 /nfs/dbraw/zinc/69/95/84/1171699584.db2.gz PMNKDMONVJOAKH-CYBMUJFWSA-N 1 1 279.344 1.250 10 5 CDBEMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1=CCCCC1 ZINC001714582732 1179240541 /nfs/dbraw/zinc/24/05/41/1179240541.db2.gz GIHUEXOXFUSOQX-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1=CCCCC1 ZINC001714582732 1179240528 /nfs/dbraw/zinc/24/05/28/1179240528.db2.gz GIHUEXOXFUSOQX-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1=CCCCC1 ZINC001714582732 1179240533 /nfs/dbraw/zinc/24/05/33/1179240533.db2.gz GIHUEXOXFUSOQX-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO CC(C)N(CC[N@@H+](C)C(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717946695 1180941531 /nfs/dbraw/zinc/94/15/31/1180941531.db2.gz BWHZMXHPHKRCEM-VXGBXAGGSA-N 1 1 271.361 1.229 10 5 CDBEMO CC(C)N(CC[N@H+](C)C(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717946695 1180941535 /nfs/dbraw/zinc/94/15/35/1180941535.db2.gz BWHZMXHPHKRCEM-VXGBXAGGSA-N 1 1 271.361 1.229 10 5 CDBEMO CC(C)N(CC[N@@H+](C)C(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717946695 1180941537 /nfs/dbraw/zinc/94/15/37/1180941537.db2.gz BWHZMXHPHKRCEM-VXGBXAGGSA-N 1 1 271.361 1.229 10 5 CDBEMO COC(=O)[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279770 736659046 /nfs/dbraw/zinc/65/90/46/736659046.db2.gz YVFVPGMRVGEEMQ-AAEUAGOBSA-N 1 1 294.307 1.123 10 5 CDBEMO CC[N@H+]1CC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000712612479 738829993 /nfs/dbraw/zinc/82/99/93/738829993.db2.gz AIBBHEFYPAGQIX-SNVBAGLBSA-N 1 1 250.302 1.804 10 5 CDBEMO C[N@H+]1C[C@@]2(C)CN(CCn3ccc([N+](=O)[O-])n3)C[C@@]2(C)C1 ZINC000931312106 736889334 /nfs/dbraw/zinc/88/93/34/736889334.db2.gz UXWUATRGMWJELZ-OKILXGFUSA-N 1 1 293.371 1.065 10 5 CDBEMO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000720462780 738935279 /nfs/dbraw/zinc/93/52/79/738935279.db2.gz LPPKBWCGAYRDEZ-CMPLNLGQSA-N 1 1 294.380 1.982 10 5 CDBEMO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000839715859 737842236 /nfs/dbraw/zinc/84/22/36/737842236.db2.gz VOONTERNFXYQSG-AAVRWANBSA-N 1 1 289.335 1.213 10 5 CDBEMO C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000839715859 737842239 /nfs/dbraw/zinc/84/22/39/737842239.db2.gz VOONTERNFXYQSG-AAVRWANBSA-N 1 1 289.335 1.213 10 5 CDBEMO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000839715859 737842240 /nfs/dbraw/zinc/84/22/40/737842240.db2.gz VOONTERNFXYQSG-AAVRWANBSA-N 1 1 289.335 1.213 10 5 CDBEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830715016 737989006 /nfs/dbraw/zinc/98/90/06/737989006.db2.gz STQOMOLJCPLURG-YUELXQCFSA-N 1 1 294.351 1.721 10 5 CDBEMO COc1ccc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)cc1F ZINC000931335349 739044892 /nfs/dbraw/zinc/04/48/92/739044892.db2.gz VYZWLBKDMBPEAF-NSHDSACASA-N 1 1 268.288 1.900 10 5 CDBEMO COc1ccc([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)cc1F ZINC000931335349 739044895 /nfs/dbraw/zinc/04/48/95/739044895.db2.gz VYZWLBKDMBPEAF-NSHDSACASA-N 1 1 268.288 1.900 10 5 CDBEMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001644666508 1167335646 /nfs/dbraw/zinc/33/56/46/1167335646.db2.gz ZTLFBUBXAUPSPL-GFCCVEGCSA-N 1 1 292.339 1.290 10 5 CDBEMO Cc1c(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)cccc1[N+](=O)[O-] ZINC001176964292 914403671 /nfs/dbraw/zinc/40/36/71/914403671.db2.gz AFLWSLSEXBLVNT-KGLIPLIRSA-N 1 1 294.351 1.326 10 5 CDBEMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@]1(O)CCCOC1)C2 ZINC001191351319 922497177 /nfs/dbraw/zinc/49/71/77/922497177.db2.gz ZZNNHJBYHFTZIM-AWEZNQCLSA-N 1 1 278.308 1.452 10 5 CDBEMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@]1(O)CCCOC1)C2 ZINC001191351319 922497187 /nfs/dbraw/zinc/49/71/87/922497187.db2.gz ZZNNHJBYHFTZIM-AWEZNQCLSA-N 1 1 278.308 1.452 10 5 CDBEMO Cc1nc(NC[C@@H]2CC[N@H+]2C(C)(C)C)ncc1[N+](=O)[O-] ZINC001118536940 937637566 /nfs/dbraw/zinc/63/75/66/937637566.db2.gz LYXANFMANMZTPP-JTQLQIEISA-N 1 1 279.344 1.978 10 5 CDBEMO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001263623205 943918256 /nfs/dbraw/zinc/91/82/56/943918256.db2.gz LGZFGEBBCUDDRK-GXFFZTMASA-N 1 1 290.335 1.797 10 5 CDBEMO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317211602 957347102 /nfs/dbraw/zinc/34/71/02/957347102.db2.gz KNLOYMOHZSYXIO-RGDJUOJXSA-N 1 1 295.383 1.134 10 5 CDBEMO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317211602 957347092 /nfs/dbraw/zinc/34/70/92/957347092.db2.gz KNLOYMOHZSYXIO-RGDJUOJXSA-N 1 1 295.383 1.134 10 5 CDBEMO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001317211602 957347109 /nfs/dbraw/zinc/34/71/09/957347109.db2.gz KNLOYMOHZSYXIO-RGDJUOJXSA-N 1 1 295.383 1.134 10 5 CDBEMO O=c1c(F)cc([N+](=O)[O-])cn1Cc1cn2ccccc2[nH+]1 ZINC001559430011 960760763 /nfs/dbraw/zinc/76/07/63/960760763.db2.gz RDYDRDUTEQBJLO-UHFFFAOYSA-N 1 1 288.238 1.592 10 5 CDBEMO C[C@H](O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001559594348 960791683 /nfs/dbraw/zinc/79/16/83/960791683.db2.gz NQIRTFCSJJRRON-UWVGGRQHSA-N 1 1 250.298 1.722 10 5 CDBEMO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001544079309 967336530 /nfs/dbraw/zinc/33/65/30/967336530.db2.gz LTNSRCAIKQXIID-ZJUUUORDSA-N 1 1 295.343 1.311 10 5 CDBEMO C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001544079309 967336534 /nfs/dbraw/zinc/33/65/34/967336534.db2.gz LTNSRCAIKQXIID-ZJUUUORDSA-N 1 1 295.343 1.311 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001473750808 969839702 /nfs/dbraw/zinc/83/97/02/969839702.db2.gz QIUKUODUYSPWCM-QMMMGPOBSA-N 1 1 292.274 1.237 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001473750808 969839708 /nfs/dbraw/zinc/83/97/08/969839708.db2.gz QIUKUODUYSPWCM-QMMMGPOBSA-N 1 1 292.274 1.237 10 5 CDBEMO O=[N+]([O-])c1ccc2[nH+]ccc(NC3COCCOC3)c2c1 ZINC000601168022 342485617 /nfs/dbraw/zinc/48/56/17/342485617.db2.gz LWWHWMCFJYAORL-UHFFFAOYSA-N 1 1 289.291 1.392 10 5 CDBEMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])s1 ZINC000591370564 342629830 /nfs/dbraw/zinc/62/98/30/342629830.db2.gz DQCVVVQHRUGKJP-VHSXEESVSA-N 1 1 285.369 1.548 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])s1 ZINC000591370564 342629831 /nfs/dbraw/zinc/62/98/31/342629831.db2.gz DQCVVVQHRUGKJP-VHSXEESVSA-N 1 1 285.369 1.548 10 5 CDBEMO [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000593727049 342829561 /nfs/dbraw/zinc/82/95/61/342829561.db2.gz BHCYJNXOHWPOLB-NSHDSACASA-N 1 1 279.340 1.861 10 5 CDBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000593727511 342829812 /nfs/dbraw/zinc/82/98/12/342829812.db2.gz OEXBICZZGWNVBO-UHFFFAOYSA-N 1 1 265.313 1.614 10 5 CDBEMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000593754790 342833089 /nfs/dbraw/zinc/83/30/89/342833089.db2.gz OYZAOGZUZHNMMF-UHFFFAOYSA-N 1 1 283.332 1.026 10 5 CDBEMO [NH3+]CCCOCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000600680641 342242177 /nfs/dbraw/zinc/24/21/77/342242177.db2.gz VMZUSJWJOGTBAO-UHFFFAOYSA-N 1 1 287.747 1.703 10 5 CDBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC3(COC3)C2)c1 ZINC000595836547 343171288 /nfs/dbraw/zinc/17/12/88/343171288.db2.gz ZPTGKKVMHZIZPW-UHFFFAOYSA-N 1 1 278.308 1.696 10 5 CDBEMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000596365224 343305477 /nfs/dbraw/zinc/30/54/77/343305477.db2.gz XESBPAHBUZJHHW-LBPRGKRZSA-N 1 1 295.387 1.674 10 5 CDBEMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc([N+](=O)[O-])cn1 ZINC000596365224 343305478 /nfs/dbraw/zinc/30/54/78/343305478.db2.gz XESBPAHBUZJHHW-LBPRGKRZSA-N 1 1 295.387 1.674 10 5 CDBEMO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604199194 344865685 /nfs/dbraw/zinc/86/56/85/344865685.db2.gz OMLYCLNCYBOVAP-GFCCVEGCSA-N 1 1 277.324 1.727 10 5 CDBEMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344254681 362560037 /nfs/dbraw/zinc/56/00/37/362560037.db2.gz FKTVTROXMRRRKW-SNVBAGLBSA-N 1 1 295.314 1.806 10 5 CDBEMO C[NH+](C)CCCOc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC000584621129 346501850 /nfs/dbraw/zinc/50/18/50/346501850.db2.gz AMHAAKHUCYGVDY-UHFFFAOYSA-N 1 1 264.285 1.802 10 5 CDBEMO Cc1cc(N(C)[C@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000348175114 360556121 /nfs/dbraw/zinc/55/61/21/360556121.db2.gz CZKJLQAZNVXDHJ-LBPRGKRZSA-N 1 1 276.340 1.971 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178582060 189128789 /nfs/dbraw/zinc/12/87/89/189128789.db2.gz XXLHYHGFVORCPW-HUUCEWRRSA-N 1 1 291.351 1.408 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)cn1 ZINC000580598102 363932136 /nfs/dbraw/zinc/93/21/36/363932136.db2.gz DMKPOUYWMARDLA-GFCCVEGCSA-N 1 1 262.313 1.664 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249363927 364576640 /nfs/dbraw/zinc/57/66/40/364576640.db2.gz UFHRCXSHZZEHCU-WQAKAFBOSA-N 1 1 266.297 1.083 10 5 CDBEMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367996219 371299417 /nfs/dbraw/zinc/29/94/17/371299417.db2.gz FVVKIEXBRURQKC-LLVKDONJSA-N 1 1 299.277 1.203 10 5 CDBEMO CN1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191131262 373452329 /nfs/dbraw/zinc/45/23/29/373452329.db2.gz LCLPZGRLUNGVSB-UHFFFAOYSA-N 1 1 293.323 1.138 10 5 CDBEMO CN1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191131262 373452336 /nfs/dbraw/zinc/45/23/36/373452336.db2.gz LCLPZGRLUNGVSB-UHFFFAOYSA-N 1 1 293.323 1.138 10 5 CDBEMO Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419002019 374271134 /nfs/dbraw/zinc/27/11/34/374271134.db2.gz LXHMMFOKXOZXGK-STQMWFEESA-N 1 1 293.367 1.795 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCOCCO ZINC000282425698 375083704 /nfs/dbraw/zinc/08/37/04/375083704.db2.gz FAGHBZITFNOMLN-UHFFFAOYSA-N 1 1 268.313 1.344 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCc2[nH]cnc2C1 ZINC000357551842 375916309 /nfs/dbraw/zinc/91/63/09/375916309.db2.gz TXRIYTKHKJGYAB-VIFPVBQESA-N 1 1 290.327 1.812 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357551842 375916315 /nfs/dbraw/zinc/91/63/15/375916315.db2.gz TXRIYTKHKJGYAB-VIFPVBQESA-N 1 1 290.327 1.812 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357551842 375916321 /nfs/dbraw/zinc/91/63/21/375916321.db2.gz TXRIYTKHKJGYAB-VIFPVBQESA-N 1 1 290.327 1.812 10 5 CDBEMO Cc1ccnc(N2CCC[N@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000172278067 377412387 /nfs/dbraw/zinc/41/23/87/377412387.db2.gz XVFOZZYONQDMDF-UHFFFAOYSA-N 1 1 276.340 1.973 10 5 CDBEMO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCO ZINC000281762533 195369923 /nfs/dbraw/zinc/36/99/23/195369923.db2.gz LNMNUCVXWWVPFJ-QPJJXVBHSA-N 1 1 250.298 1.922 10 5 CDBEMO C[C@@H]1CC(C)(C)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000412036882 391062600 /nfs/dbraw/zinc/06/26/00/391062600.db2.gz HHLAAXPPXYHZNH-ZYHUDNBSSA-N 1 1 282.344 1.273 10 5 CDBEMO COCC[N@H+]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1C ZINC000192790912 391813783 /nfs/dbraw/zinc/81/37/83/391813783.db2.gz QVFHYBDMOWQNEL-LLVKDONJSA-N 1 1 294.355 1.334 10 5 CDBEMO C[C@@H]1CC[N@H+](CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000548825960 392513994 /nfs/dbraw/zinc/51/39/94/392513994.db2.gz NIJZJBUWJIXBBR-SNVBAGLBSA-N 1 1 263.297 1.875 10 5 CDBEMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000548825960 392514001 /nfs/dbraw/zinc/51/40/01/392514001.db2.gz NIJZJBUWJIXBBR-SNVBAGLBSA-N 1 1 263.297 1.875 10 5 CDBEMO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)CO ZINC000421409777 392935040 /nfs/dbraw/zinc/93/50/40/392935040.db2.gz NNOVCBLDWGQIQG-VSKVDJIOSA-N 1 1 294.351 1.672 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371829149 160055395 /nfs/dbraw/zinc/05/53/95/160055395.db2.gz QUHBQLMVNRTZKG-DOMZBBRYSA-N 1 1 291.351 1.672 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371829149 160055398 /nfs/dbraw/zinc/05/53/98/160055398.db2.gz QUHBQLMVNRTZKG-DOMZBBRYSA-N 1 1 291.351 1.672 10 5 CDBEMO CCCNC(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000035148392 172009680 /nfs/dbraw/zinc/00/96/80/172009680.db2.gz QIXYHMWGOXPFFO-UHFFFAOYSA-N 1 1 281.312 1.219 10 5 CDBEMO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000285182552 196215151 /nfs/dbraw/zinc/21/51/51/196215151.db2.gz BUMQPLJSGMKRDD-NSHDSACASA-N 1 1 292.257 1.992 10 5 CDBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000285182552 196215152 /nfs/dbraw/zinc/21/51/52/196215152.db2.gz BUMQPLJSGMKRDD-NSHDSACASA-N 1 1 292.257 1.992 10 5 CDBEMO CC[N@H+]1CCC[C@H](Nc2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000040503189 174299548 /nfs/dbraw/zinc/29/95/48/174299548.db2.gz AWLNSOWZGSKDBP-JTQLQIEISA-N 1 1 267.333 1.533 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000408464076 275041068 /nfs/dbraw/zinc/04/10/68/275041068.db2.gz DKRKLAFRFAMTTB-SNVBAGLBSA-N 1 1 280.303 1.803 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000408464076 275041069 /nfs/dbraw/zinc/04/10/69/275041069.db2.gz DKRKLAFRFAMTTB-SNVBAGLBSA-N 1 1 280.303 1.803 10 5 CDBEMO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183291295 277251807 /nfs/dbraw/zinc/25/18/07/277251807.db2.gz OAPPDEAYGTWTCA-CYBMUJFWSA-N 1 1 277.324 1.614 10 5 CDBEMO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183291295 277251808 /nfs/dbraw/zinc/25/18/08/277251808.db2.gz OAPPDEAYGTWTCA-CYBMUJFWSA-N 1 1 277.324 1.614 10 5 CDBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000069623471 327100261 /nfs/dbraw/zinc/10/02/61/327100261.db2.gz APMDQOZLQKPZEZ-SCZZXKLOSA-N 1 1 283.353 1.742 10 5 CDBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000069623471 327100263 /nfs/dbraw/zinc/10/02/63/327100263.db2.gz APMDQOZLQKPZEZ-SCZZXKLOSA-N 1 1 283.353 1.742 10 5 CDBEMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293438802 534235388 /nfs/dbraw/zinc/23/53/88/534235388.db2.gz OLQPMRNIBHKKTD-DTWKUNHWSA-N 1 1 263.297 1.534 10 5 CDBEMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293438802 534235390 /nfs/dbraw/zinc/23/53/90/534235390.db2.gz OLQPMRNIBHKKTD-DTWKUNHWSA-N 1 1 263.297 1.534 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1ccccc1[N+](=O)[O-] ZINC000062539565 521257812 /nfs/dbraw/zinc/25/78/12/521257812.db2.gz URURJNMUCXANAP-SECBINFHSA-N 1 1 268.269 1.254 10 5 CDBEMO CNc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000050817101 522609972 /nfs/dbraw/zinc/60/99/72/522609972.db2.gz FKSWPXSBCWNVOI-GFCCVEGCSA-N 1 1 279.340 1.983 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000183227867 525563647 /nfs/dbraw/zinc/56/36/47/525563647.db2.gz FXGNXQOUHBXZNP-CYBMUJFWSA-N 1 1 250.298 1.860 10 5 CDBEMO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+]C2CC2)o1 ZINC000050616114 527396702 /nfs/dbraw/zinc/39/67/02/527396702.db2.gz LLRBLFRXTSWOPS-UHFFFAOYSA-N 1 1 260.253 1.897 10 5 CDBEMO Nc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000050708664 527502161 /nfs/dbraw/zinc/50/21/61/527502161.db2.gz WSVCRUARPNWNRW-SNVBAGLBSA-N 1 1 290.323 1.144 10 5 CDBEMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](CC)C2CC2)n1 ZINC000191800802 528506720 /nfs/dbraw/zinc/50/67/20/528506720.db2.gz LDLQOJAXSCDYDN-UHFFFAOYSA-N 1 1 295.343 1.025 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928459450 619124318 /nfs/dbraw/zinc/12/43/18/619124318.db2.gz WIIUCWPQNPPWGE-CBAPKCEASA-N 1 1 269.326 1.479 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000902925954 625639427 /nfs/dbraw/zinc/63/94/27/625639427.db2.gz QSJQJSWOIBRFGN-CABZTGNLSA-N 1 1 278.312 1.809 10 5 CDBEMO C[NH+]1CCC2(CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000908493193 628225080 /nfs/dbraw/zinc/22/50/80/628225080.db2.gz OPZDNHYJZZVZEY-CHWSQXEVSA-N 1 1 295.383 1.422 10 5 CDBEMO O=C(NC12CC[NH+](CC1)C2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000913631884 630716180 /nfs/dbraw/zinc/71/61/80/630716180.db2.gz GYIOWAIAGRRDGD-UHFFFAOYSA-N 1 1 295.726 1.826 10 5 CDBEMO Cc1cc(=O)n(C[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001613628146 1165533704 /nfs/dbraw/zinc/53/37/04/1165533704.db2.gz VFQUMKCPIQEYTH-LLVKDONJSA-N 1 1 295.339 1.033 10 5 CDBEMO CCCC[N@@H+](C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001565683419 1168162345 /nfs/dbraw/zinc/16/23/45/1168162345.db2.gz AVMVWVPDYMBQIG-UHFFFAOYSA-N 1 1 295.343 1.034 10 5 CDBEMO Cc1nc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)ccc1[N+](=O)[O-] ZINC000865998514 1164719514 /nfs/dbraw/zinc/71/95/14/1164719514.db2.gz LCYCGZFWGWQVCB-NSHDSACASA-N 1 1 294.355 1.555 10 5 CDBEMO Cc1n[nH]c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153870 739594926 /nfs/dbraw/zinc/59/49/26/739594926.db2.gz VKHHNLMYGFUMPR-UHFFFAOYSA-N 1 1 295.343 1.183 10 5 CDBEMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153870 739594937 /nfs/dbraw/zinc/59/49/37/739594937.db2.gz VKHHNLMYGFUMPR-UHFFFAOYSA-N 1 1 295.343 1.183 10 5 CDBEMO Cc1[nH]nc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000871153870 739594945 /nfs/dbraw/zinc/59/49/45/739594945.db2.gz VKHHNLMYGFUMPR-UHFFFAOYSA-N 1 1 295.343 1.183 10 5 CDBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C ZINC000931495250 739898788 /nfs/dbraw/zinc/89/87/88/739898788.db2.gz FWIRILMZIBDCAI-GFCCVEGCSA-N 1 1 292.339 1.983 10 5 CDBEMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000703698385 740086084 /nfs/dbraw/zinc/08/60/84/740086084.db2.gz VPTQVZCQKSJPRB-WVSHTKLVSA-N 1 1 268.288 1.937 10 5 CDBEMO COCC[N@@H+](C)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030592 741012004 /nfs/dbraw/zinc/01/20/04/741012004.db2.gz IGYXAIQPPLOYAL-LLVKDONJSA-N 1 1 299.346 1.963 10 5 CDBEMO COCCN(C)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030592 741012008 /nfs/dbraw/zinc/01/20/08/741012008.db2.gz IGYXAIQPPLOYAL-LLVKDONJSA-N 1 1 299.346 1.963 10 5 CDBEMO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719622512 741368078 /nfs/dbraw/zinc/36/80/78/741368078.db2.gz FVNFOUKXHGVDGN-RKDXNWHRSA-N 1 1 253.306 1.141 10 5 CDBEMO [NH3+][C@H]1C[C@H](NCCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000925631891 739377974 /nfs/dbraw/zinc/37/79/74/739377974.db2.gz YFPPHSFMYUOMEX-KBPBESRZSA-N 1 1 275.352 1.997 10 5 CDBEMO N[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000925631891 739377978 /nfs/dbraw/zinc/37/79/78/739377978.db2.gz YFPPHSFMYUOMEX-KBPBESRZSA-N 1 1 275.352 1.997 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865999751 739920772 /nfs/dbraw/zinc/92/07/72/739920772.db2.gz XAZNJWAAAGDCET-NSHDSACASA-N 1 1 294.355 1.555 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[C@@H]21 ZINC000866204880 740315651 /nfs/dbraw/zinc/31/56/51/740315651.db2.gz HHYVAHOXUHQUAW-PWSUYJOCSA-N 1 1 262.313 1.520 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000720470253 741081880 /nfs/dbraw/zinc/08/18/80/741081880.db2.gz FNGCVLCYTANNNB-VHSXEESVSA-N 1 1 297.384 1.320 10 5 CDBEMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000843789955 742634884 /nfs/dbraw/zinc/63/48/84/742634884.db2.gz CMKYPGAHXZGHQE-JTQLQIEISA-N 1 1 295.314 1.866 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1=CCCCC1 ZINC001567281416 1168657712 /nfs/dbraw/zinc/65/77/12/1168657712.db2.gz MMYHUQRMHHXBMV-CHWSQXEVSA-N 1 1 281.356 1.200 10 5 CDBEMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1=CCCCC1 ZINC001567281416 1168657719 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CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001480203097 971626692 /nfs/dbraw/zinc/62/66/92/971626692.db2.gz FQKUWHKEWRREHY-WRWGMCAJSA-N 1 1 269.345 1.079 10 5 CDBEMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@]23CCOC3)cc1 ZINC001331540396 957127390 /nfs/dbraw/zinc/12/73/90/957127390.db2.gz RMSLBCMEDCJHOP-UONOGXRCSA-N 1 1 278.308 1.493 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001457408555 969155616 /nfs/dbraw/zinc/15/56/16/969155616.db2.gz DHNYZTXWZLULQP-LLVKDONJSA-N 1 1 292.339 1.343 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)CC2(C)C)n1 ZINC001356378951 969385820 /nfs/dbraw/zinc/38/58/20/969385820.db2.gz VETAVDKGSWPLAE-UHFFFAOYSA-N 1 1 292.339 1.464 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)CC2(C)C)n1 ZINC001356378951 969385823 /nfs/dbraw/zinc/38/58/23/969385823.db2.gz VETAVDKGSWPLAE-UHFFFAOYSA-N 1 1 292.339 1.464 10 5 CDBEMO C[N@H+](CCn1cnnc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001473766172 969837178 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OWUFQSNWJRWFRI-MRVPVSSYSA-N 1 1 255.299 1.025 10 5 CDBEMO O=C1NCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093632871 363667061 /nfs/dbraw/zinc/66/70/61/363667061.db2.gz XISLZQBJCUXYRL-JTQLQIEISA-N 1 1 283.715 1.616 10 5 CDBEMO O=[N+]([O-])c1ccc(OCCN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000178640655 189133865 /nfs/dbraw/zinc/13/38/65/189133865.db2.gz FEDTUUSYNFACFZ-CQSZACIVSA-N 1 1 291.351 1.754 10 5 CDBEMO CO[C@@H]1COC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000575178519 361059017 /nfs/dbraw/zinc/05/90/17/361059017.db2.gz FGUUUURYZUYYAW-RKDXNWHRSA-N 1 1 258.299 1.160 10 5 CDBEMO Cc1c(C[N@@H+]2CCOC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000295424204 370212101 /nfs/dbraw/zinc/21/21/01/370212101.db2.gz COPRSTONIHUYBC-LBPRGKRZSA-N 1 1 266.297 1.096 10 5 CDBEMO Cc1c(C[N@H+]2CCOC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000295424204 370212104 /nfs/dbraw/zinc/21/21/04/370212104.db2.gz COPRSTONIHUYBC-LBPRGKRZSA-N 1 1 266.297 1.096 10 5 CDBEMO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000389746799 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282.344 1.418 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000113233570 392868846 /nfs/dbraw/zinc/86/88/46/392868846.db2.gz OCBFAPQUMIKMEC-VXGBXAGGSA-N 1 1 289.335 1.904 10 5 CDBEMO CNC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000420971893 392922618 /nfs/dbraw/zinc/92/26/18/392922618.db2.gz ITNLRZWFCKNYKE-LBPRGKRZSA-N 1 1 277.324 1.471 10 5 CDBEMO CNC(=O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420973591 392924609 /nfs/dbraw/zinc/92/46/09/392924609.db2.gz LKAWIQXSDUXZAA-NSHDSACASA-N 1 1 293.323 1.042 10 5 CDBEMO CNC(=O)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000421387671 392933746 /nfs/dbraw/zinc/93/37/46/392933746.db2.gz PDQPZCWPORDRPD-RYWCDNDXSA-N 1 1 289.335 1.676 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(CO)CO ZINC000269311916 132153342 /nfs/dbraw/zinc/15/33/42/132153342.db2.gz JLHRRFHQVCMNQG-LLVKDONJSA-N 1 1 282.340 1.579 10 5 CDBEMO CC(C)n1cc[nH+]c1Cn1cc([N+](=O)[O-])ccc1=O ZINC000195516620 140158924 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CC[N@@H+](C)[C@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000302835486 276078644 /nfs/dbraw/zinc/07/86/44/276078644.db2.gz VLIBGLUIHAIBOW-NSHDSACASA-N 1 1 264.329 1.829 10 5 CDBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368787245 276377075 /nfs/dbraw/zinc/37/70/75/276377075.db2.gz UFJCKLOAIGUREF-CQSZACIVSA-N 1 1 292.335 1.950 10 5 CDBEMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368787245 276377077 /nfs/dbraw/zinc/37/70/77/276377077.db2.gz UFJCKLOAIGUREF-CQSZACIVSA-N 1 1 292.335 1.950 10 5 CDBEMO CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000334048905 277005929 /nfs/dbraw/zinc/00/59/29/277005929.db2.gz ZBBXKKCOPLLOIM-MNOVXSKESA-N 1 1 292.339 1.659 10 5 CDBEMO CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000334048905 277005931 /nfs/dbraw/zinc/00/59/31/277005931.db2.gz ZBBXKKCOPLLOIM-MNOVXSKESA-N 1 1 292.339 1.659 10 5 CDBEMO CNC(=O)[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420967773 277252827 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CNC(=O)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255753952 521751176 /nfs/dbraw/zinc/75/11/76/521751176.db2.gz HCOOOPFVCIQZGD-HJHHMULASA-N 1 1 289.335 1.818 10 5 CDBEMO COC[C@H]1CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339290971 522853876 /nfs/dbraw/zinc/85/38/76/522853876.db2.gz QNBHMLGZSWGGKD-OLZOCXBDSA-N 1 1 296.323 1.055 10 5 CDBEMO COC(=O)[C@](C)([NH3+])C[C@H](C)Oc1cccc(C)c1[N+](=O)[O-] ZINC000068651377 524002428 /nfs/dbraw/zinc/00/24/28/524002428.db2.gz FESODJHBOQTHPZ-IINYFYTJSA-N 1 1 296.323 1.951 10 5 CDBEMO CC[N@H+]1CCC[C@H]1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176288272 535590852 /nfs/dbraw/zinc/59/08/52/535590852.db2.gz BTTHAIACPKQAIF-LBPRGKRZSA-N 1 1 281.360 1.207 10 5 CDBEMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000748537182 576916354 /nfs/dbraw/zinc/91/63/54/576916354.db2.gz VGDHWMGPYUPGPM-LBPRGKRZSA-N 1 1 295.314 1.964 10 5 CDBEMO COC(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749676191 576957277 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CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)n1 ZINC001566011125 1168214442 /nfs/dbraw/zinc/21/44/42/1168214442.db2.gz QCUDJWPQNXPXPE-JTQLQIEISA-N 1 1 292.339 1.370 10 5 CDBEMO Cc1nc([C@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)no1 ZINC001648304908 1169116379 /nfs/dbraw/zinc/11/63/79/1169116379.db2.gz MAKJZJIWFDZNAL-VIFPVBQESA-N 1 1 292.299 1.009 10 5 CDBEMO Cc1nc([C@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)no1 ZINC001648304908 1169116384 /nfs/dbraw/zinc/11/63/84/1169116384.db2.gz MAKJZJIWFDZNAL-VIFPVBQESA-N 1 1 292.299 1.009 10 5 CDBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(COC2)O1 ZINC000929165345 754449071 /nfs/dbraw/zinc/44/90/71/754449071.db2.gz SNHRUNOGDIKFRV-ZDUSSCGKSA-N 1 1 292.335 1.975 10 5 CDBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(COC2)O1 ZINC000929165345 754449079 /nfs/dbraw/zinc/44/90/79/754449079.db2.gz SNHRUNOGDIKFRV-ZDUSSCGKSA-N 1 1 292.335 1.975 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000824002939 754480184 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756504697 /nfs/dbraw/zinc/50/46/97/756504697.db2.gz LXUFRUOTFCUAHR-AWEZNQCLSA-N 1 1 294.351 1.345 10 5 CDBEMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[N+](=O)[O-] ZINC000930361155 756545313 /nfs/dbraw/zinc/54/53/13/756545313.db2.gz MZMDZJCLEQMGCQ-YOGCLGLASA-N 1 1 264.329 1.407 10 5 CDBEMO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030890 757880789 /nfs/dbraw/zinc/88/07/89/757880789.db2.gz KJCGHXVGKUVMQF-DTWKUNHWSA-N 1 1 281.287 1.615 10 5 CDBEMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000928456502 758162436 /nfs/dbraw/zinc/16/24/36/758162436.db2.gz LWYLEFZLUGQGNH-ZYHUDNBSSA-N 1 1 277.324 1.726 10 5 CDBEMO Cc1nn(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000779865838 758578364 /nfs/dbraw/zinc/57/83/64/758578364.db2.gz RQYPBFNOJKJIEP-AWEZNQCLSA-N 1 1 294.355 1.950 10 5 CDBEMO Cc1nn(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000779865838 758578382 /nfs/dbraw/zinc/57/83/82/758578382.db2.gz RQYPBFNOJKJIEP-AWEZNQCLSA-N 1 1 294.355 1.950 10 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/nfs/dbraw/zinc/45/11/13/913451113.db2.gz SAVHLLYSDNIJBQ-ONGXEEELSA-N 1 1 296.710 1.853 10 5 CDBEMO O=C1OC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC001175112594 913451124 /nfs/dbraw/zinc/45/11/24/913451124.db2.gz SAVHLLYSDNIJBQ-ONGXEEELSA-N 1 1 296.710 1.853 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1F ZINC001176965247 914403904 /nfs/dbraw/zinc/40/39/04/914403904.db2.gz KFCSVVHTEXMOQU-NEPJUHHUSA-N 1 1 298.314 1.157 10 5 CDBEMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)CC[N@H+]1C ZINC000719620811 934857532 /nfs/dbraw/zinc/85/75/32/934857532.db2.gz AMGJSZGIYVQHRB-HTQZYQBOSA-N 1 1 277.284 1.636 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC001262263013 946556326 /nfs/dbraw/zinc/55/63/26/946556326.db2.gz DEJBFSBSEZLKMV-AWEZNQCLSA-N 1 1 262.309 1.785 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC001262263013 946556332 /nfs/dbraw/zinc/55/63/32/946556332.db2.gz DEJBFSBSEZLKMV-AWEZNQCLSA-N 1 1 262.309 1.785 10 5 CDBEMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001296126181 954813911 /nfs/dbraw/zinc/81/39/11/954813911.db2.gz GCZZRWAZAHSPBN-NSHDSACASA-N 1 1 292.339 1.592 10 5 CDBEMO Cc1c(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)cccc1[N+](=O)[O-] ZINC001558504574 965301566 /nfs/dbraw/zinc/30/15/66/965301566.db2.gz ZKDDLGTYOBMUCZ-CYBMUJFWSA-N 1 1 291.351 1.973 10 5 CDBEMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001655709431 1171718799 /nfs/dbraw/zinc/71/87/99/1171718799.db2.gz SETLRMOGQGQALN-CYBMUJFWSA-N 1 1 291.351 1.895 10 5 CDBEMO CCC[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601099788 342463910 /nfs/dbraw/zinc/46/39/10/342463910.db2.gz FJBZMNJBVQLHQZ-UHFFFAOYSA-N 1 1 268.292 1.661 10 5 CDBEMO CN(CC[N@@H+](C)C1CC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601143297 342480814 /nfs/dbraw/zinc/48/08/14/342480814.db2.gz CZAVRYWPTDPZET-UHFFFAOYSA-N 1 1 268.292 1.659 10 5 CDBEMO CC[C@H](C)[N@@H+](C)CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589571703 342508925 /nfs/dbraw/zinc/50/89/25/342508925.db2.gz JVQSEZMQCQAAJF-JTQLQIEISA-N 1 1 296.371 1.812 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000590045263 342520575 /nfs/dbraw/zinc/52/05/75/342520575.db2.gz OIRXTEVWWJJQIB-WPRPVWTQSA-N 1 1 281.337 1.432 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]21 ZINC000590720120 342585879 /nfs/dbraw/zinc/58/58/79/342585879.db2.gz VKSVWWNSYXVEGB-RNCFNFMXSA-N 1 1 287.323 1.611 10 5 CDBEMO CN(C[C@H]1CCC[N@H+]1C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000591464175 342631235 /nfs/dbraw/zinc/63/12/35/342631235.db2.gz GIUXKZJVWKXRPZ-LLVKDONJSA-N 1 1 294.355 1.200 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000593727026 342829826 /nfs/dbraw/zinc/82/98/26/342829826.db2.gz AMOZJMZJNNGFBN-CQSZACIVSA-N 1 1 277.324 1.486 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000048752051 342262864 /nfs/dbraw/zinc/26/28/64/342262864.db2.gz FUZKRAZXFHTGDW-NSHDSACASA-N 1 1 263.297 1.419 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1[N+](=O)[O-] ZINC000595475627 343064168 /nfs/dbraw/zinc/06/41/68/343064168.db2.gz MQEORXRXWXJZEE-ZDUSSCGKSA-N 1 1 281.312 1.894 10 5 CDBEMO COc1cc(C[N@H+]2CCC(=O)N(C)CC2)ccc1[N+](=O)[O-] ZINC000595772071 343147533 /nfs/dbraw/zinc/14/75/33/343147533.db2.gz HSLDKOLRTBQEIP-UHFFFAOYSA-N 1 1 293.323 1.268 10 5 CDBEMO COc1cc(C[N@@H+]2CCC(=O)N(C)CC2)ccc1[N+](=O)[O-] ZINC000595772071 343147535 /nfs/dbraw/zinc/14/75/35/343147535.db2.gz HSLDKOLRTBQEIP-UHFFFAOYSA-N 1 1 293.323 1.268 10 5 CDBEMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000125068145 342348914 /nfs/dbraw/zinc/34/89/14/342348914.db2.gz DMMUOGQLUDMLKS-UHFFFAOYSA-N 1 1 295.314 1.712 10 5 CDBEMO Cc1cnc(N2CC(C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000596239398 343283913 /nfs/dbraw/zinc/28/39/13/343283913.db2.gz GCEVJXQZVJFGFG-UHFFFAOYSA-N 1 1 292.339 1.067 10 5 CDBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000598465616 343806481 /nfs/dbraw/zinc/80/64/81/343806481.db2.gz GSWUSRXNBLYECE-UHFFFAOYSA-N 1 1 296.371 1.784 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000603843196 344837897 /nfs/dbraw/zinc/83/78/97/344837897.db2.gz DQRUFHANCXRLAG-MFKMUULPSA-N 1 1 290.323 1.763 10 5 CDBEMO COC[C@@H]1CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293474028 362561103 /nfs/dbraw/zinc/56/11/03/362561103.db2.gz FENGGBNMINQMHV-STQMWFEESA-N 1 1 266.297 1.349 10 5 CDBEMO COC[C@@H]1CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293474028 362561106 /nfs/dbraw/zinc/56/11/06/362561106.db2.gz FENGGBNMINQMHV-STQMWFEESA-N 1 1 266.297 1.349 10 5 CDBEMO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1F ZINC000611502264 346806589 /nfs/dbraw/zinc/80/65/89/346806589.db2.gz QMDFSYRJKFVZPS-PWSUYJOCSA-N 1 1 283.303 1.436 10 5 CDBEMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1F ZINC000611502264 346806593 /nfs/dbraw/zinc/80/65/93/346806593.db2.gz QMDFSYRJKFVZPS-PWSUYJOCSA-N 1 1 283.303 1.436 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000408230612 358461475 /nfs/dbraw/zinc/46/14/75/358461475.db2.gz HUXULHNGKJDASG-NSHDSACASA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000408230612 358461478 /nfs/dbraw/zinc/46/14/78/358461478.db2.gz HUXULHNGKJDASG-NSHDSACASA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1cc(N2CCC[N@@H+](CCO)CC2)c(F)cc1[N+](=O)[O-] ZINC000292369649 198262053 /nfs/dbraw/zinc/26/20/53/198262053.db2.gz DCRKSWJQDYPAIN-UHFFFAOYSA-N 1 1 297.330 1.547 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271874668 191383172 /nfs/dbraw/zinc/38/31/72/191383172.db2.gz MCDVYFDIDHQLRV-UHFFFAOYSA-N 1 1 289.335 1.895 10 5 CDBEMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000195511160 363452288 /nfs/dbraw/zinc/45/22/88/363452288.db2.gz JOSVRGKAQZQZNB-QMMMGPOBSA-N 1 1 256.331 1.946 10 5 CDBEMO O=[N+]([O-])c1cccc(CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247116266 356660479 /nfs/dbraw/zinc/66/04/79/356660479.db2.gz JFFCKNPBCJBMFJ-AWEZNQCLSA-N 1 1 261.325 1.875 10 5 CDBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000408112530 358157679 /nfs/dbraw/zinc/15/76/79/358157679.db2.gz LAQKHILWEYFCRE-SNVBAGLBSA-N 1 1 263.297 1.371 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000408112530 358157681 /nfs/dbraw/zinc/15/76/81/358157681.db2.gz LAQKHILWEYFCRE-SNVBAGLBSA-N 1 1 263.297 1.371 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408113390 358157984 /nfs/dbraw/zinc/15/79/84/358157984.db2.gz RZLBUCLPNADKDE-LLVKDONJSA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408113390 358157988 /nfs/dbraw/zinc/15/79/88/358157988.db2.gz RZLBUCLPNADKDE-LLVKDONJSA-N 1 1 277.324 1.679 10 5 CDBEMO CN1CC[NH+](CCCNc2ccncc2[N+](=O)[O-])CC1 ZINC000248061726 360339690 /nfs/dbraw/zinc/33/96/90/360339690.db2.gz UXHXGJAIFOEFIW-UHFFFAOYSA-N 1 1 279.344 1.039 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000408469565 361214112 /nfs/dbraw/zinc/21/41/12/361214112.db2.gz SKMQSAOPYXIGFI-MFKMUULPSA-N 1 1 290.323 1.074 10 5 CDBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCO ZINC000440939321 367139289 /nfs/dbraw/zinc/13/92/89/367139289.db2.gz LFONMWHNBQTCLK-JTQLQIEISA-N 1 1 281.312 1.236 10 5 CDBEMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCO ZINC000440939321 367139299 /nfs/dbraw/zinc/13/92/99/367139299.db2.gz LFONMWHNBQTCLK-JTQLQIEISA-N 1 1 281.312 1.236 10 5 CDBEMO C[NH+](C)C1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CCCCCC1 ZINC000047297920 412768765 /nfs/dbraw/zinc/76/87/65/412768765.db2.gz NIQUDOVSXCLPFR-RYUDHWBXSA-N 1 1 283.372 1.422 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)n1 ZINC000441219800 368534986 /nfs/dbraw/zinc/53/49/86/368534986.db2.gz ZEZMTNMRIMXXBL-STQMWFEESA-N 1 1 294.355 1.540 10 5 CDBEMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368010647 371366979 /nfs/dbraw/zinc/36/69/79/371366979.db2.gz UGKPKURNQGVCSI-SSDOTTSWSA-N 1 1 291.279 1.335 10 5 CDBEMO Cc1nc(N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000368622670 374322258 /nfs/dbraw/zinc/32/22/58/374322258.db2.gz HOECSWZIYNHMRB-SECBINFHSA-N 1 1 273.296 1.991 10 5 CDBEMO Cc1nc(N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000368622670 374322261 /nfs/dbraw/zinc/32/22/61/374322261.db2.gz HOECSWZIYNHMRB-SECBINFHSA-N 1 1 273.296 1.991 10 5 CDBEMO CC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000389530403 374920202 /nfs/dbraw/zinc/92/02/02/374920202.db2.gz BXKVCLVOYZHFQI-VIFPVBQESA-N 1 1 278.312 1.001 10 5 CDBEMO CCCC[N@@H+](C)CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427858778 247205015 /nfs/dbraw/zinc/20/50/15/247205015.db2.gz MGHOKCXSYJLLQV-UHFFFAOYSA-N 1 1 297.359 1.273 10 5 CDBEMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000371803819 285090325 /nfs/dbraw/zinc/09/03/25/285090325.db2.gz RRHWYCQDWOZESE-LLVKDONJSA-N 1 1 297.742 1.769 10 5 CDBEMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000371803819 285090328 /nfs/dbraw/zinc/09/03/28/285090328.db2.gz RRHWYCQDWOZESE-LLVKDONJSA-N 1 1 297.742 1.769 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000246167909 285167966 /nfs/dbraw/zinc/16/79/66/285167966.db2.gz IVMALJHXTUDRKF-VXGBXAGGSA-N 1 1 280.328 1.435 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000246167909 285167968 /nfs/dbraw/zinc/16/79/68/285167968.db2.gz IVMALJHXTUDRKF-VXGBXAGGSA-N 1 1 280.328 1.435 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000190322152 285175385 /nfs/dbraw/zinc/17/53/85/285175385.db2.gz WDFVSBXAXKROCG-SECBINFHSA-N 1 1 268.342 1.726 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCCC[C@@H]3C2)s1 ZINC000190322152 285175387 /nfs/dbraw/zinc/17/53/87/285175387.db2.gz WDFVSBXAXKROCG-SECBINFHSA-N 1 1 268.342 1.726 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CC1CCOCC1)CC2 ZINC000408197100 285184254 /nfs/dbraw/zinc/18/42/54/285184254.db2.gz GSURBBZWVONSTI-UHFFFAOYSA-N 1 1 277.324 1.775 10 5 CDBEMO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423481501 392964491 /nfs/dbraw/zinc/96/44/91/392964491.db2.gz WTFOKBBEHLSSQU-YFKTTZPYSA-N 1 1 281.360 1.600 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000490071011 393200022 /nfs/dbraw/zinc/20/00/22/393200022.db2.gz HKPPIEVHPUKVRN-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000490071011 393200023 /nfs/dbraw/zinc/20/00/23/393200023.db2.gz HKPPIEVHPUKVRN-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000247017573 140285469 /nfs/dbraw/zinc/28/54/69/140285469.db2.gz GAHSIFHCTGMPHB-KOLCDFICSA-N 1 1 295.364 1.965 10 5 CDBEMO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347004180 153374834 /nfs/dbraw/zinc/37/48/34/153374834.db2.gz BIZIBWOGSMWCRH-SNVBAGLBSA-N 1 1 279.296 1.497 10 5 CDBEMO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347007688 153376400 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CCNc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)C2)c1 ZINC000050786358 520326825 /nfs/dbraw/zinc/32/68/25/520326825.db2.gz SAYOPVNZACVUOQ-LLVKDONJSA-N 1 1 292.339 1.461 10 5 CDBEMO CNc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000050792083 522610697 /nfs/dbraw/zinc/61/06/97/522610697.db2.gz MECVESIFTCFTJZ-NSHDSACASA-N 1 1 292.339 1.334 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])CCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442026 523816400 /nfs/dbraw/zinc/81/64/00/523816400.db2.gz IYKUAQXNFHVVCX-AWEZNQCLSA-N 1 1 296.323 1.871 10 5 CDBEMO COCCNCc1cc([N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000062732097 523950122 /nfs/dbraw/zinc/95/01/22/523950122.db2.gz GLLCFCXCMUZWIU-UHFFFAOYSA-N 1 1 297.355 1.271 10 5 CDBEMO NNc1ccc(C[N@H+]2CCC[C@H]2CCCO)cc1[N+](=O)[O-] ZINC000052763264 527279193 /nfs/dbraw/zinc/27/91/93/527279193.db2.gz CZAQLFFHSMQNDN-LBPRGKRZSA-N 1 1 294.355 1.617 10 5 CDBEMO O=[N+]([O-])c1c(N[C@@H]2CCc3[nH+]c[nH]c3C2)nc2ccccn21 ZINC000772944932 575769462 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CDBEMO NC(=O)C[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000038007299 362833128 /nfs/dbraw/zinc/83/31/28/362833128.db2.gz XLTYLRMCMDJQKS-UHFFFAOYSA-N 1 1 296.302 1.096 10 5 CDBEMO O=C1NCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000613458415 347742110 /nfs/dbraw/zinc/74/21/10/347742110.db2.gz VYUBTJXRJIBKCW-SNVBAGLBSA-N 1 1 269.688 1.226 10 5 CDBEMO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000078523877 350820005 /nfs/dbraw/zinc/82/00/05/350820005.db2.gz ANRQRYKMJZTYJF-SNVBAGLBSA-N 1 1 285.369 1.549 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000411881162 363370118 /nfs/dbraw/zinc/37/01/18/363370118.db2.gz WVCXAYBQIMBKSB-ZDUSSCGKSA-N 1 1 280.328 1.292 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000411881162 363370124 /nfs/dbraw/zinc/37/01/24/363370124.db2.gz WVCXAYBQIMBKSB-ZDUSSCGKSA-N 1 1 280.328 1.292 10 5 CDBEMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000384893409 366216404 /nfs/dbraw/zinc/21/64/04/366216404.db2.gz LLPQLJFKSDZINR-ZWNOBZJWSA-N 1 1 250.298 1.940 10 5 CDBEMO Cc1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176193134 358736486 /nfs/dbraw/zinc/73/64/86/358736486.db2.gz RZZQSJDWSBBSQI-UHFFFAOYSA-N 1 1 264.285 1.825 10 5 CDBEMO Cc1nc(N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297108904 200087534 /nfs/dbraw/zinc/08/75/34/200087534.db2.gz LQYZIFDSCJAHLE-ONGXEEELSA-N 1 1 279.344 1.612 10 5 CDBEMO [NH3+][C@H]1c2cc([N+](=O)[O-])ccc2N(C2CCCC2)C1=O ZINC000100236506 283646751 /nfs/dbraw/zinc/64/67/51/283646751.db2.gz DEZGEUPWRWTKOU-LBPRGKRZSA-N 1 1 261.281 1.884 10 5 CDBEMO C[N@H+]1CCC[C@H](CNc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302026762 201305825 /nfs/dbraw/zinc/30/58/25/201305825.db2.gz IJZRSBGOTUCOCW-GFCCVEGCSA-N 1 1 279.340 1.841 10 5 CDBEMO C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C=O)CC1 ZINC000034936678 364180135 /nfs/dbraw/zinc/18/01/35/364180135.db2.gz LTDOMEJEEJPYBH-UHFFFAOYSA-N 1 1 263.297 1.549 10 5 CDBEMO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1 ZINC000034936650 364180699 /nfs/dbraw/zinc/18/06/99/364180699.db2.gz DNIVGPMYMKRMOM-UHFFFAOYSA-N 1 1 277.324 1.939 10 5 CDBEMO Cc1nn(C)c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000376175459 374541234 /nfs/dbraw/zinc/54/12/34/374541234.db2.gz WQXBKZRFCNMKMJ-FOSCPWQOSA-N 1 1 293.371 1.698 10 5 CDBEMO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000377770953 374619808 /nfs/dbraw/zinc/61/98/08/374619808.db2.gz CPGGBEOOYXJNCH-NSHDSACASA-N 1 1 272.308 1.965 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000275219019 374691099 /nfs/dbraw/zinc/69/10/99/374691099.db2.gz KPHTVGTUQZDKAZ-UHFFFAOYSA-N 1 1 277.324 1.726 10 5 CDBEMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CCO)[C@H](C)C1 ZINC000331123041 374890453 /nfs/dbraw/zinc/89/04/53/374890453.db2.gz BUQLSWFYFGVHGT-OLZOCXBDSA-N 1 1 293.367 1.654 10 5 CDBEMO CCn1cc[nH+]c1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000128604307 375141884 /nfs/dbraw/zinc/14/18/84/375141884.db2.gz ANGCAMBXNZRJGV-UHFFFAOYSA-N 1 1 262.269 1.330 10 5 CDBEMO Cc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000302350452 375193903 /nfs/dbraw/zinc/19/39/03/375193903.db2.gz BLXNUJHYKPGOPJ-GFCCVEGCSA-N 1 1 279.340 1.406 10 5 CDBEMO CCc1nn(C)c(NC[C@@H]2C[N@H+](CC)CCO2)c1[N+](=O)[O-] ZINC000162932112 375561370 /nfs/dbraw/zinc/56/13/70/375561370.db2.gz LBGXQNBIZQUJIG-SNVBAGLBSA-N 1 1 297.359 1.023 10 5 CDBEMO CCc1nn(C)c(NC[C@@H]2C[N@@H+](CC)CCO2)c1[N+](=O)[O-] ZINC000162932112 375561376 /nfs/dbraw/zinc/56/13/76/375561376.db2.gz LBGXQNBIZQUJIG-SNVBAGLBSA-N 1 1 297.359 1.023 10 5 CDBEMO C[C@H](CO)[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](C)O ZINC000249007300 376113578 /nfs/dbraw/zinc/11/35/78/376113578.db2.gz ZQEJMMSRRQWGKN-BDAKNGLRSA-N 1 1 274.342 1.220 10 5 CDBEMO C[C@H](CO)[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](C)O ZINC000249007300 376113582 /nfs/dbraw/zinc/11/35/82/376113582.db2.gz ZQEJMMSRRQWGKN-BDAKNGLRSA-N 1 1 274.342 1.220 10 5 CDBEMO CN(C)CC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])nc1 ZINC000450525348 251324608 /nfs/dbraw/zinc/32/46/08/251324608.db2.gz BRBZPARDXDJGOM-UHFFFAOYSA-N 1 1 281.360 1.285 10 5 CDBEMO CN(CCCNc1ccc([N+](=O)[O-])nc1)CC[NH+](C)C ZINC000450525348 251324611 /nfs/dbraw/zinc/32/46/11/251324611.db2.gz BRBZPARDXDJGOM-UHFFFAOYSA-N 1 1 281.360 1.285 10 5 CDBEMO Cc1cc(N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000450951322 390583985 /nfs/dbraw/zinc/58/39/85/390583985.db2.gz FTDLQQWEIMNNOX-GFCCVEGCSA-N 1 1 279.340 1.406 10 5 CDBEMO COC[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544106 390630979 /nfs/dbraw/zinc/63/09/79/390630979.db2.gz DRWWXRODUGNXAL-ZFWWWQNUSA-N 1 1 294.351 1.782 10 5 CDBEMO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000107042464 391220884 /nfs/dbraw/zinc/22/08/84/391220884.db2.gz CCYJDIAHFAHCAB-SNVBAGLBSA-N 1 1 295.339 1.285 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000048753430 391376379 /nfs/dbraw/zinc/37/63/79/391376379.db2.gz IRWGACJQEDYEBG-GFCCVEGCSA-N 1 1 277.324 1.809 10 5 CDBEMO C[N@H+]1CC[C@@H]2OCCN(c3ncc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000408465498 391650188 /nfs/dbraw/zinc/65/01/88/391650188.db2.gz HDTHNMYBHUKRHM-RYUDHWBXSA-N 1 1 296.302 1.038 10 5 CDBEMO C[C@@H]1CC(C)(C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000412050809 391840193 /nfs/dbraw/zinc/84/01/93/391840193.db2.gz ZVBQEURCTXDCDI-SNVBAGLBSA-N 1 1 252.318 1.912 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000266098096 131683498 /nfs/dbraw/zinc/68/34/98/131683498.db2.gz QWALOZKYEGHQQL-ZYHUDNBSSA-N 1 1 294.355 1.725 10 5 CDBEMO Cc1cc(N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284556299 393193413 /nfs/dbraw/zinc/19/34/13/393193413.db2.gz MZLPARJQPAGQSZ-LSDHHAIUSA-N 1 1 291.351 1.813 10 5 CDBEMO CO[C@@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000350090825 154326602 /nfs/dbraw/zinc/32/66/02/154326602.db2.gz GVYJKRWNVXYRPF-NSHDSACASA-N 1 1 270.333 1.537 10 5 CDBEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(n1ncc([N+](=O)[O-])c1N)C2 ZINC000043669903 175086772 /nfs/dbraw/zinc/08/67/72/175086772.db2.gz VXOKQRZITKMJKM-JVHMLUBASA-N 1 1 251.290 1.171 10 5 CDBEMO CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc(CO)cc1[N+](=O)[O-] ZINC000071189630 176065933 /nfs/dbraw/zinc/06/59/33/176065933.db2.gz GXROCVJKGUWUAN-GFCCVEGCSA-N 1 1 279.340 1.475 10 5 CDBEMO [NH3+]CCCc1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000072236603 176345599 /nfs/dbraw/zinc/34/55/99/176345599.db2.gz MJUNKDVJRRQHQU-UHFFFAOYSA-N 1 1 261.285 1.195 10 5 CDBEMO [NH3+]CCCc1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000072236603 176345601 /nfs/dbraw/zinc/34/56/01/176345601.db2.gz MJUNKDVJRRQHQU-UHFFFAOYSA-N 1 1 261.285 1.195 10 5 CDBEMO C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000395211495 270342079 /nfs/dbraw/zinc/34/20/79/270342079.db2.gz QGYWNGHCLUZFBL-JQWIXIFHSA-N 1 1 250.298 1.798 10 5 CDBEMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000395211497 270342162 /nfs/dbraw/zinc/34/21/62/270342162.db2.gz QGYWNGHCLUZFBL-PWSUYJOCSA-N 1 1 250.298 1.798 10 5 CDBEMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000395211499 270342451 /nfs/dbraw/zinc/34/24/51/270342451.db2.gz QGYWNGHCLUZFBL-ZYHUDNBSSA-N 1 1 250.298 1.798 10 5 CDBEMO CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176354386 277248494 /nfs/dbraw/zinc/24/84/94/277248494.db2.gz DVRVJOPHHAEXGU-MNOVXSKESA-N 1 1 279.340 1.970 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1N1CC[NH+](C)CC1 ZINC000563651676 316350729 /nfs/dbraw/zinc/35/07/29/316350729.db2.gz UFOIGNZNDLGNOU-UHFFFAOYSA-N 1 1 251.286 1.355 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2C(F)F)c1 ZINC000566102622 316475981 /nfs/dbraw/zinc/47/59/81/316475981.db2.gz FQGCLXSMYCRHER-NSHDSACASA-N 1 1 299.277 1.582 10 5 CDBEMO CC[NH+]1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000576264186 317106829 /nfs/dbraw/zinc/10/68/29/317106829.db2.gz OJCBEGDUQDAHAM-UHFFFAOYSA-N 1 1 265.313 1.745 10 5 CDBEMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000577569240 317355242 /nfs/dbraw/zinc/35/52/42/317355242.db2.gz XOYDUSRSFACRNC-SNVBAGLBSA-N 1 1 280.328 1.448 10 5 CDBEMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C)CC1 ZINC000061569695 518291602 /nfs/dbraw/zinc/29/16/02/518291602.db2.gz KNBXGKONTRHJHC-UHFFFAOYSA-N 1 1 277.324 1.939 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455799 523800608 /nfs/dbraw/zinc/80/06/08/523800608.db2.gz OBSPGRZEAGQBQY-QMMMGPOBSA-N 1 1 285.735 1.934 10 5 CDBEMO C[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840754 523816562 /nfs/dbraw/zinc/81/65/62/523816562.db2.gz GLQUDSLZEDZTNI-SECBINFHSA-N 1 1 250.302 1.683 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000062595668 523912967 /nfs/dbraw/zinc/91/29/67/523912967.db2.gz NLXTXESSWFYTRG-SECBINFHSA-N 1 1 288.687 1.517 10 5 CDBEMO C[C@H](NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000068801294 525421799 /nfs/dbraw/zinc/42/17/99/525421799.db2.gz SOTZHOHPYGNBCL-STQMWFEESA-N 1 1 292.383 1.491 10 5 CDBEMO C[C@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000068801294 525421808 /nfs/dbraw/zinc/42/18/08/525421808.db2.gz SOTZHOHPYGNBCL-STQMWFEESA-N 1 1 292.383 1.491 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]([NH3+])CCO)n1 ZINC000050441217 526070428 /nfs/dbraw/zinc/07/04/28/526070428.db2.gz ZAXAWCUQQRJEIR-SNVBAGLBSA-N 1 1 278.268 1.335 10 5 CDBEMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000420999845 538424376 /nfs/dbraw/zinc/42/43/76/538424376.db2.gz CCEKBJDLWOUYMF-SKDRFNHKSA-N 1 1 266.297 1.646 10 5 CDBEMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000420999845 538424379 /nfs/dbraw/zinc/42/43/79/538424379.db2.gz CCEKBJDLWOUYMF-SKDRFNHKSA-N 1 1 266.297 1.646 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931468188 617881311 /nfs/dbraw/zinc/88/13/11/617881311.db2.gz VZBOKQODLAXYHE-VIFPVBQESA-N 1 1 290.327 1.442 10 5 CDBEMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000910282151 628958124 /nfs/dbraw/zinc/95/81/24/628958124.db2.gz SKQAMWKTSAIYCV-LLVKDONJSA-N 1 1 292.339 1.546 10 5 CDBEMO O=C1OC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]12 ZINC000862546517 774062324 /nfs/dbraw/zinc/06/23/24/774062324.db2.gz NMMGMYZIVMWZKG-NXEZZACHSA-N 1 1 296.710 1.853 10 5 CDBEMO O=C1OC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]12 ZINC000862546517 774062330 /nfs/dbraw/zinc/06/23/30/774062330.db2.gz NMMGMYZIVMWZKG-NXEZZACHSA-N 1 1 296.710 1.853 10 5 CDBEMO COc1cc(NC[C@@H]2CC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000712551174 774233973 /nfs/dbraw/zinc/23/39/73/774233973.db2.gz XDVUZKPXTSKWSD-QMMMGPOBSA-N 1 1 269.276 1.859 10 5 CDBEMO COc1cc(NC[C@@H]2CC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000712551174 774233998 /nfs/dbraw/zinc/23/39/98/774233998.db2.gz XDVUZKPXTSKWSD-QMMMGPOBSA-N 1 1 269.276 1.859 10 5 CDBEMO CC(C)(CCC(=O)N1CC[NH+](CCCF)CC1)[N+](=O)[O-] ZINC000862115521 774361318 /nfs/dbraw/zinc/36/13/18/774361318.db2.gz ZMDMKZNZBKSTPM-UHFFFAOYSA-N 1 1 289.351 1.326 10 5 CDBEMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852416019 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O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)C(F)F ZINC001567820618 1168993175 /nfs/dbraw/zinc/99/31/75/1168993175.db2.gz PXNFKLXJLJFKPV-UHFFFAOYSA-N 1 1 299.277 1.408 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C)[nH+]c(C)c2)n1 ZINC001127726527 918186178 /nfs/dbraw/zinc/18/61/78/918186178.db2.gz BDGMUIFOWFEVKY-UHFFFAOYSA-N 1 1 286.291 1.984 10 5 CDBEMO CO[C@@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC001118557854 924633889 /nfs/dbraw/zinc/63/38/89/924633889.db2.gz SUQXKVBHPGUVKS-WFASDCNBSA-N 1 1 292.335 1.962 10 5 CDBEMO CO[C@@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC001118557854 924633894 /nfs/dbraw/zinc/63/38/94/924633894.db2.gz SUQXKVBHPGUVKS-WFASDCNBSA-N 1 1 292.335 1.962 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)c1 ZINC001198686028 925501140 /nfs/dbraw/zinc/50/11/40/925501140.db2.gz PZTVAGWEAWOIQO-KBPBESRZSA-N 1 1 294.355 1.825 10 5 CDBEMO CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001480138483 971598108 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CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000532144563 393067876 /nfs/dbraw/zinc/06/78/76/393067876.db2.gz OMLUUJJNVVJKTL-UHFFFAOYSA-N 1 1 280.328 1.450 10 5 CDBEMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+](C)C1CC1 ZINC000532143623 393068140 /nfs/dbraw/zinc/06/81/40/393068140.db2.gz PPEFZDWBTQTHPC-VIFPVBQESA-N 1 1 278.312 1.202 10 5 CDBEMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000532399778 393073790 /nfs/dbraw/zinc/07/37/90/393073790.db2.gz MZLBOQSQGUBFNC-UHFFFAOYSA-N 1 1 292.339 1.594 10 5 CDBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCO ZINC000281951938 393163837 /nfs/dbraw/zinc/16/38/37/393163837.db2.gz UNHFKOINKYTIIP-SNVBAGLBSA-N 1 1 281.312 1.236 10 5 CDBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCO ZINC000281951938 393163843 /nfs/dbraw/zinc/16/38/43/393163843.db2.gz UNHFKOINKYTIIP-SNVBAGLBSA-N 1 1 281.312 1.236 10 5 CDBEMO Cc1cc(N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000284593234 393193029 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CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000071193099 176075559 /nfs/dbraw/zinc/07/55/59/176075559.db2.gz QFORHUCBJRBAKQ-JTQLQIEISA-N 1 1 292.339 1.201 10 5 CDBEMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000418105637 228053802 /nfs/dbraw/zinc/05/38/02/228053802.db2.gz BHGXWWGTSDSMFS-OLZOCXBDSA-N 1 1 293.367 1.482 10 5 CDBEMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187966126 261813036 /nfs/dbraw/zinc/81/30/36/261813036.db2.gz JJDTYNALLIBMOB-DGCLKSJQSA-N 1 1 282.344 1.274 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000250102881 270305215 /nfs/dbraw/zinc/30/52/15/270305215.db2.gz RQJPWAYDXTUAKA-YGRLFVJLSA-N 1 1 291.351 1.989 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000250102881 270305216 /nfs/dbraw/zinc/30/52/16/270305216.db2.gz RQJPWAYDXTUAKA-YGRLFVJLSA-N 1 1 291.351 1.989 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c(F)c1 ZINC000371802154 275036619 /nfs/dbraw/zinc/03/66/19/275036619.db2.gz JRKSUDNFTZCXPO-LLVKDONJSA-N 1 1 281.287 1.255 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c(F)c1 ZINC000371802154 275036620 /nfs/dbraw/zinc/03/66/20/275036620.db2.gz JRKSUDNFTZCXPO-LLVKDONJSA-N 1 1 281.287 1.255 10 5 CDBEMO C[N@H+]1CCO[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@H]21 ZINC000301676711 277125041 /nfs/dbraw/zinc/12/50/41/277125041.db2.gz SQBYKOVOQCVLBU-VXGBXAGGSA-N 1 1 281.287 1.253 10 5 CDBEMO COC[C@@H](C)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000514779191 280846743 /nfs/dbraw/zinc/84/67/43/280846743.db2.gz AEHSUDOHPKJWOM-NSHDSACASA-N 1 1 280.324 1.940 10 5 CDBEMO CC[NH+]1CCN(C(=O)c2cc(N)c(F)cc2[N+](=O)[O-])CC1 ZINC000050696507 521669683 /nfs/dbraw/zinc/66/96/83/521669683.db2.gz PZZSAWPQRNFAKL-UHFFFAOYSA-N 1 1 296.302 1.094 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](O)C1 ZINC000050817194 522646229 /nfs/dbraw/zinc/64/62/29/522646229.db2.gz CTZZWPBEFARUEL-LBPRGKRZSA-N 1 1 265.313 1.593 10 5 CDBEMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000061379779 523616444 /nfs/dbraw/zinc/61/64/44/523616444.db2.gz FLKMNCVQFRHZCT-UHFFFAOYSA-N 1 1 267.329 1.893 10 5 CDBEMO Cc1c(NC[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000068806590 525869966 /nfs/dbraw/zinc/86/99/66/525869966.db2.gz HSXMXAOPBBFZLZ-LBPRGKRZSA-N 1 1 278.356 1.561 10 5 CDBEMO Cc1c(NC[C@H]2CN(C)CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000068806590 525869979 /nfs/dbraw/zinc/86/99/79/525869979.db2.gz HSXMXAOPBBFZLZ-LBPRGKRZSA-N 1 1 278.356 1.561 10 5 CDBEMO Cc1c(NC[C@H]2CN(C)CC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000068806590 525869991 /nfs/dbraw/zinc/86/99/91/525869991.db2.gz HSXMXAOPBBFZLZ-LBPRGKRZSA-N 1 1 278.356 1.561 10 5 CDBEMO NC(=O)C[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000050816020 526882133 /nfs/dbraw/zinc/88/21/33/526882133.db2.gz MEBCJKNWYICEIP-UHFFFAOYSA-N 1 1 292.339 1.407 10 5 CDBEMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000339357920 527470997 /nfs/dbraw/zinc/47/09/97/527470997.db2.gz OIXYNICYKFQTJB-JTQLQIEISA-N 1 1 273.296 1.717 10 5 CDBEMO CC[N@H+](CC(=O)NC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000764201317 576784838 /nfs/dbraw/zinc/78/48/38/576784838.db2.gz JHCHWQIBSGYIJG-JTQLQIEISA-N 1 1 265.313 1.724 10 5 CDBEMO CC[N@@H+](CC(=O)NC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000764201317 576784840 /nfs/dbraw/zinc/78/48/40/576784840.db2.gz JHCHWQIBSGYIJG-JTQLQIEISA-N 1 1 265.313 1.724 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000928430035 619002031 /nfs/dbraw/zinc/00/20/31/619002031.db2.gz FGRWXUCPBLOONR-BXKDBHETSA-N 1 1 295.314 1.485 10 5 CDBEMO C[C@@H]1[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000905649091 626899006 /nfs/dbraw/zinc/89/90/06/626899006.db2.gz MDLOGKLPIDFPQN-BXKDBHETSA-N 1 1 294.380 1.974 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@H+](C)C2CC2)n1 ZINC001625770861 1165926261 /nfs/dbraw/zinc/92/62/61/1165926261.db2.gz XLECZJRMOKGXMU-UHFFFAOYSA-N 1 1 278.312 1.122 10 5 CDBEMO CC[N@@H+]1CC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001632147668 1166332895 /nfs/dbraw/zinc/33/28/95/1166332895.db2.gz CAXIMOGQHNSVGZ-ZDUSSCGKSA-N 1 1 277.324 1.348 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001632147668 1166332903 /nfs/dbraw/zinc/33/29/03/1166332903.db2.gz CAXIMOGQHNSVGZ-ZDUSSCGKSA-N 1 1 277.324 1.348 10 5 CDBEMO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030889 1165373484 /nfs/dbraw/zinc/37/34/84/1165373484.db2.gz KJCGHXVGKUVMQF-BDAKNGLRSA-N 1 1 281.287 1.615 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000931534733 782562821 /nfs/dbraw/zinc/56/28/21/782562821.db2.gz HKLQMVRUYMJPOL-GFCCVEGCSA-N 1 1 262.313 1.143 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000931534733 782562836 /nfs/dbraw/zinc/56/28/36/782562836.db2.gz HKLQMVRUYMJPOL-GFCCVEGCSA-N 1 1 262.313 1.143 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928438545 780568643 /nfs/dbraw/zinc/56/86/43/780568643.db2.gz KBWCKFPEEAWZIZ-UFBFGSQYSA-N 1 1 279.296 1.123 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928438545 780568652 /nfs/dbraw/zinc/56/86/52/780568652.db2.gz KBWCKFPEEAWZIZ-UFBFGSQYSA-N 1 1 279.296 1.123 10 5 CDBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839665056 781099269 /nfs/dbraw/zinc/09/92/69/781099269.db2.gz DGBRXIRCIXTUNC-WRWGMCAJSA-N 1 1 269.345 1.031 10 5 CDBEMO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839665056 781099276 /nfs/dbraw/zinc/09/92/76/781099276.db2.gz DGBRXIRCIXTUNC-WRWGMCAJSA-N 1 1 269.345 1.031 10 5 CDBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839665056 781099291 /nfs/dbraw/zinc/09/92/91/781099291.db2.gz DGBRXIRCIXTUNC-WRWGMCAJSA-N 1 1 269.345 1.031 10 5 CDBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000826653405 781384259 /nfs/dbraw/zinc/38/42/59/781384259.db2.gz DMGFPJBWQLYWHY-MGPQQGTHSA-N 1 1 295.383 1.565 10 5 CDBEMO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000826653405 781384269 /nfs/dbraw/zinc/38/42/69/781384269.db2.gz DMGFPJBWQLYWHY-MGPQQGTHSA-N 1 1 295.383 1.565 10 5 CDBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000826653405 781384285 /nfs/dbraw/zinc/38/42/85/781384285.db2.gz DMGFPJBWQLYWHY-MGPQQGTHSA-N 1 1 295.383 1.565 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000931708011 781854865 /nfs/dbraw/zinc/85/48/65/781854865.db2.gz VCLIDSNUBVHTCN-ZDUSSCGKSA-N 1 1 256.346 1.792 10 5 CDBEMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(N)c([N+](=O)[O-])n1 ZINC000720830641 935251536 /nfs/dbraw/zinc/25/15/36/935251536.db2.gz RKEGRQFAEKAXJT-QWRGUYRKSA-N 1 1 277.328 1.245 10 5 CDBEMO O=C1OCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC001198808790 925540193 /nfs/dbraw/zinc/54/01/93/925540193.db2.gz CUICEMWEQWZCGV-CQSZACIVSA-N 1 1 294.282 1.873 10 5 CDBEMO O=C1OCC[C@@]12CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC001198808790 925540197 /nfs/dbraw/zinc/54/01/97/925540197.db2.gz CUICEMWEQWZCGV-CQSZACIVSA-N 1 1 294.282 1.873 10 5 CDBEMO O=C1OC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000860160154 929122480 /nfs/dbraw/zinc/12/24/80/929122480.db2.gz XGPZWZIOCOJJOA-MWLCHTKSSA-N 1 1 296.710 1.853 10 5 CDBEMO O=C1OC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000860160154 929122487 /nfs/dbraw/zinc/12/24/87/929122487.db2.gz XGPZWZIOCOJJOA-MWLCHTKSSA-N 1 1 296.710 1.853 10 5 CDBEMO C[N@@H+](CCO[C@@H]1CCOC1)CCc1cccc([N+](=O)[O-])c1 ZINC000930354376 933366101 /nfs/dbraw/zinc/36/61/01/933366101.db2.gz OZEHLAXXEASPGA-OAHLLOKOSA-N 1 1 294.351 1.875 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000931466055 933568031 /nfs/dbraw/zinc/56/80/31/933568031.db2.gz BWCIWRXKDFYQBZ-OLZOCXBDSA-N 1 1 250.298 1.461 10 5 CDBEMO COc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC001473754745 970845088 /nfs/dbraw/zinc/84/50/88/970845088.db2.gz JILQKTAGNDYXKB-ZYHUDNBSSA-N 1 1 280.324 1.949 10 5 CDBEMO CC[N@@H+]1CC[C@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001291742224 954110427 /nfs/dbraw/zinc/11/04/27/954110427.db2.gz JIUINCLFAGCUNM-MFKMUULPSA-N 1 1 277.324 1.866 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001291742224 954110437 /nfs/dbraw/zinc/11/04/37/954110437.db2.gz JIUINCLFAGCUNM-MFKMUULPSA-N 1 1 277.324 1.866 10 5 CDBEMO C[N@H+]1CCN(c2ccncc2[N+](=O)[O-])CCC1(C)C ZINC001329297907 955806359 /nfs/dbraw/zinc/80/63/59/955806359.db2.gz JVLNTYHWIKVRBK-UHFFFAOYSA-N 1 1 264.329 1.910 10 5 CDBEMO C[C@@H]([NH2+]CCOCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC001332231713 957485548 /nfs/dbraw/zinc/48/55/48/957485548.db2.gz KUOJBHIIMRYEEK-SNVBAGLBSA-N 1 1 286.303 1.784 10 5 CDBEMO CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001495490518 972519546 /nfs/dbraw/zinc/51/95/46/972519546.db2.gz ZVWPIRZLLRPVQN-ZIAGYGMSSA-N 1 1 291.351 1.468 10 5 CDBEMO Nc1[nH+]ccc2c1CN(c1ccc([N+](=O)[O-])nc1)CC2 ZINC001458699340 969337596 /nfs/dbraw/zinc/33/75/96/969337596.db2.gz CNJKXXNHVAHNAS-UHFFFAOYSA-N 1 1 271.280 1.530 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000601170703 342485884 /nfs/dbraw/zinc/48/58/84/342485884.db2.gz VDWCSXIKRAZORG-LLVKDONJSA-N 1 1 298.318 1.388 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590012533 342519926 /nfs/dbraw/zinc/51/99/26/342519926.db2.gz UPAVHLWEUPJUED-IINYFYTJSA-N 1 1 279.315 1.870 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590045838 342520731 /nfs/dbraw/zinc/52/07/31/342520731.db2.gz XWGPRRDQEALXGS-TZMCWYRMSA-N 1 1 289.335 1.300 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045743 342520778 /nfs/dbraw/zinc/52/07/78/342520778.db2.gz UITJIDIUNFIECH-WCQYABFASA-N 1 1 275.308 1.371 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593455029 342802425 /nfs/dbraw/zinc/80/24/25/342802425.db2.gz GDPCXRVXTPBGOU-GFCCVEGCSA-N 1 1 295.314 1.487 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000595327283 343036217 /nfs/dbraw/zinc/03/62/17/343036217.db2.gz OHSWORJOXRXCGM-JTQLQIEISA-N 1 1 268.288 1.938 10 5 CDBEMO COc1cc(C[N@@H+](C)C[C@@H]2COCCO2)ccc1[N+](=O)[O-] ZINC000595739259 343136245 /nfs/dbraw/zinc/13/62/45/343136245.db2.gz YRSOJSCGTYYHNK-GFCCVEGCSA-N 1 1 296.323 1.451 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)s1 ZINC000596537133 343345243 /nfs/dbraw/zinc/34/52/43/343345243.db2.gz BEIHCQBNFOOEEJ-SNVBAGLBSA-N 1 1 298.368 1.087 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000597857655 343648064 /nfs/dbraw/zinc/64/80/64/343648064.db2.gz HWRJCDLEDBIJLG-JTQLQIEISA-N 1 1 292.339 1.592 10 5 CDBEMO CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597945605 343675273 /nfs/dbraw/zinc/67/52/73/343675273.db2.gz JOAMXMWSODMRPD-ZDUSSCGKSA-N 1 1 277.324 1.761 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](CCCF)CC1 ZINC000600071957 344171032 /nfs/dbraw/zinc/17/10/32/344171032.db2.gz JUTWVDLVLYPXLF-UHFFFAOYSA-N 1 1 284.291 1.040 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000366195202 362631970 /nfs/dbraw/zinc/63/19/70/362631970.db2.gz LHJDHHHPLNMMDN-GFCCVEGCSA-N 1 1 290.323 1.300 10 5 CDBEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1c([N+](=O)[O-])ncn1C ZINC000609765568 345997841 /nfs/dbraw/zinc/99/78/41/345997841.db2.gz BQOFHRBHWNDAEW-WDEREUQCSA-N 1 1 279.344 1.391 10 5 CDBEMO CN(C)c1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc[nH+]1 ZINC000271422507 191127603 /nfs/dbraw/zinc/12/76/03/191127603.db2.gz QIFHMXHBEPJCEO-UHFFFAOYSA-N 1 1 290.283 1.042 10 5 CDBEMO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153782076 188103755 /nfs/dbraw/zinc/10/37/55/188103755.db2.gz HGBKGYGFDULJDV-SECBINFHSA-N 1 1 283.715 1.555 10 5 CDBEMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153782076 188103756 /nfs/dbraw/zinc/10/37/56/188103756.db2.gz HGBKGYGFDULJDV-SECBINFHSA-N 1 1 283.715 1.555 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401521 363338587 /nfs/dbraw/zinc/33/85/87/363338587.db2.gz LCNBDYVIVLOXIW-OLRMPSLUSA-N 1 1 262.309 1.826 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000578061258 356125823 /nfs/dbraw/zinc/12/58/23/356125823.db2.gz GDPCCINUQLTPPG-QWRGUYRKSA-N 1 1 281.360 1.495 10 5 CDBEMO CC[N@@H+]1CCO[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134431042 356302911 /nfs/dbraw/zinc/30/29/11/356302911.db2.gz FBRPTORXKVMSOJ-LLVKDONJSA-N 1 1 283.303 1.867 10 5 CDBEMO CC[N@H+]1CCO[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134431042 356302915 /nfs/dbraw/zinc/30/29/15/356302915.db2.gz FBRPTORXKVMSOJ-LLVKDONJSA-N 1 1 283.303 1.867 10 5 CDBEMO Cc1noc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC001660347551 1172200728 /nfs/dbraw/zinc/20/07/28/1172200728.db2.gz PAHPDAHWNOHZKJ-JTQLQIEISA-N 1 1 296.327 1.191 10 5 CDBEMO Cc1noc(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c1[N+](=O)[O-] ZINC001660347551 1172200734 /nfs/dbraw/zinc/20/07/34/1172200734.db2.gz PAHPDAHWNOHZKJ-JTQLQIEISA-N 1 1 296.327 1.191 10 5 CDBEMO CC[N@H+]1CC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180961445 357297071 /nfs/dbraw/zinc/29/70/71/357297071.db2.gz QHBVMOKDKFVUJY-SNVBAGLBSA-N 1 1 292.339 1.249 10 5 CDBEMO CC1(C)[C@@H](O)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000361417205 358182527 /nfs/dbraw/zinc/18/25/27/358182527.db2.gz VTMYDYXLZWXYOY-ZDUSSCGKSA-N 1 1 280.324 1.819 10 5 CDBEMO Cc1ccncc1C[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000361437274 358184966 /nfs/dbraw/zinc/18/49/66/358184966.db2.gz ITSBAOJWZKULRT-UHFFFAOYSA-N 1 1 275.312 1.627 10 5 CDBEMO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000339568670 359415384 /nfs/dbraw/zinc/41/53/84/359415384.db2.gz RCCLCAOOSIZBRL-MNOVXSKESA-N 1 1 277.324 1.898 10 5 CDBEMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000339568670 359415387 /nfs/dbraw/zinc/41/53/87/359415387.db2.gz RCCLCAOOSIZBRL-MNOVXSKESA-N 1 1 277.324 1.898 10 5 CDBEMO COC[C@@]1(CO)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451922177 360314083 /nfs/dbraw/zinc/31/40/83/360314083.db2.gz DYWNSQZOGZLGHG-WFASDCNBSA-N 1 1 294.351 1.987 10 5 CDBEMO COc1cc(C)[nH+]c(Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000272360935 367692762 /nfs/dbraw/zinc/69/27/62/367692762.db2.gz NFCRWAFAEMVDQQ-UHFFFAOYSA-N 1 1 262.269 1.860 10 5 CDBEMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000139803913 374565045 /nfs/dbraw/zinc/56/50/45/374565045.db2.gz OIVVPULBVDPMRX-GFCCVEGCSA-N 1 1 277.324 1.727 10 5 CDBEMO CCc1nn(C)c(NC[C@H]2C[N@H+](CC)CCO2)c1[N+](=O)[O-] ZINC000162932234 375560804 /nfs/dbraw/zinc/56/08/04/375560804.db2.gz LBGXQNBIZQUJIG-JTQLQIEISA-N 1 1 297.359 1.023 10 5 CDBEMO CCc1nn(C)c(NC[C@H]2C[N@@H+](CC)CCO2)c1[N+](=O)[O-] ZINC000162932234 375560808 /nfs/dbraw/zinc/56/08/08/375560808.db2.gz LBGXQNBIZQUJIG-JTQLQIEISA-N 1 1 297.359 1.023 10 5 CDBEMO CO[C@@H](C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)C ZINC000357925271 375941718 /nfs/dbraw/zinc/94/17/18/375941718.db2.gz HKMIRSVNHNJGKA-NSHDSACASA-N 1 1 270.333 1.537 10 5 CDBEMO O=C(c1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195083181 375981893 /nfs/dbraw/zinc/98/18/93/375981893.db2.gz HNFZJCPFYZZRDA-GFCCVEGCSA-N 1 1 289.335 1.905 10 5 CDBEMO O=C(c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195083181 375981900 /nfs/dbraw/zinc/98/19/00/375981900.db2.gz HNFZJCPFYZZRDA-GFCCVEGCSA-N 1 1 289.335 1.905 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000171108281 376143371 /nfs/dbraw/zinc/14/33/71/376143371.db2.gz IXDHHKVHSIIOFZ-SECBINFHSA-N 1 1 292.339 1.511 10 5 CDBEMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H](O)[C@H]1[N+](=O)[O-] ZINC000245204511 377919820 /nfs/dbraw/zinc/91/98/20/377919820.db2.gz CMLHFOVDJBOQMH-XBFCOCLRSA-N 1 1 264.325 1.535 10 5 CDBEMO O=[N+]([O-])c1cccnc1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370862676 285166765 /nfs/dbraw/zinc/16/67/65/285166765.db2.gz RVWFGEUBOIFEDV-MRVPVSSYSA-N 1 1 259.269 1.682 10 5 CDBEMO O=[N+]([O-])c1cccnc1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370862676 285166769 /nfs/dbraw/zinc/16/67/69/285166769.db2.gz RVWFGEUBOIFEDV-MRVPVSSYSA-N 1 1 259.269 1.682 10 5 CDBEMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@H]2C1 ZINC000408146799 391425202 /nfs/dbraw/zinc/42/52/02/391425202.db2.gz VHJOBKMISZHFQC-CABZTGNLSA-N 1 1 278.312 1.089 10 5 CDBEMO CCOCC[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000357614948 391939814 /nfs/dbraw/zinc/93/98/14/391939814.db2.gz MHZIGNYKYRKLJG-UHFFFAOYSA-N 1 1 280.328 1.148 10 5 CDBEMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(CCO)C1 ZINC000459592626 392488188 /nfs/dbraw/zinc/48/81/88/392488188.db2.gz NBKOAQPDZQAFEF-HWKANZROSA-N 1 1 262.309 1.922 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000459740197 392501488 /nfs/dbraw/zinc/50/14/88/392501488.db2.gz XVTMSDXBUSVDHL-CQSZACIVSA-N 1 1 280.324 1.222 10 5 CDBEMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000422038789 392950208 /nfs/dbraw/zinc/95/02/08/392950208.db2.gz QPZMJGZRNFQUON-JTQLQIEISA-N 1 1 293.323 1.467 10 5 CDBEMO CNC(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255753964 140336037 /nfs/dbraw/zinc/33/60/37/140336037.db2.gz HCOOOPFVCIQZGD-ZBKLQPJUSA-N 1 1 289.335 1.818 10 5 CDBEMO CNC(=O)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255753964 140336038 /nfs/dbraw/zinc/33/60/38/140336038.db2.gz HCOOOPFVCIQZGD-ZBKLQPJUSA-N 1 1 289.335 1.818 10 5 CDBEMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000355780840 157231289 /nfs/dbraw/zinc/23/12/89/157231289.db2.gz ISDIHZFKFIOFBG-GFQSEFKGSA-N 1 1 296.371 1.519 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000044563040 175207065 /nfs/dbraw/zinc/20/70/65/175207065.db2.gz QGYBIHGALHKADB-JTQLQIEISA-N 1 1 250.302 1.886 10 5 CDBEMO CN(Cc1cc([N+](=O)[O-])ccc1NN)C[C@H]1CC[N@@H+](C)C1 ZINC000071191166 176069763 /nfs/dbraw/zinc/06/97/63/176069763.db2.gz VWPIEYBCLSYUFM-NSHDSACASA-N 1 1 293.371 1.264 10 5 CDBEMO Cc1nc(N2CCC(c3[nH]cc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000295547224 274840687 /nfs/dbraw/zinc/84/06/87/274840687.db2.gz PATSCDMFCIDAKA-UHFFFAOYSA-N 1 1 288.311 1.800 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235458344 280127162 /nfs/dbraw/zinc/12/71/62/280127162.db2.gz QQTRYGVXRZBDHF-SECBINFHSA-N 1 1 279.296 1.077 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CC3)CC2)n1 ZINC000123148021 281012253 /nfs/dbraw/zinc/01/22/53/281012253.db2.gz NBHXVRLCUDWOQZ-UHFFFAOYSA-N 1 1 262.313 1.583 10 5 CDBEMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1C ZINC000525029524 281114984 /nfs/dbraw/zinc/11/49/84/281114984.db2.gz HEPLYJAIFZNUNL-MNOVXSKESA-N 1 1 294.355 1.488 10 5 CDBEMO COC[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153379274 289167672 /nfs/dbraw/zinc/16/76/72/289167672.db2.gz WJSCKWKMJAWJKD-JTQLQIEISA-N 1 1 250.298 1.988 10 5 CDBEMO COC(=O)C1(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000569075542 294150714 /nfs/dbraw/zinc/15/07/14/294150714.db2.gz GHWUHVFKEXABAJ-UHFFFAOYSA-N 1 1 291.307 1.301 10 5 CDBEMO COC(=O)C1(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000569075542 294150716 /nfs/dbraw/zinc/15/07/16/294150716.db2.gz GHWUHVFKEXABAJ-UHFFFAOYSA-N 1 1 291.307 1.301 10 5 CDBEMO CN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371769 1159319427 /nfs/dbraw/zinc/31/94/27/1159319427.db2.gz UEUQGZLTWXNXPL-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1cccc([N+](=O)[O-])c1 ZINC000062539338 521258413 /nfs/dbraw/zinc/25/84/13/521258413.db2.gz OWKMULINTHQNHU-LLVKDONJSA-N 1 1 268.269 1.254 10 5 CDBEMO CC(C)[N@@H+](CCO)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050817913 519649356 /nfs/dbraw/zinc/64/93/56/519649356.db2.gz VWYZEHRPDXRRQX-UHFFFAOYSA-N 1 1 253.302 1.380 10 5 CDBEMO CCCN1C(=O)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000052926264 521699679 /nfs/dbraw/zinc/69/96/79/521699679.db2.gz ASYKUHFOUGTHBI-GFCCVEGCSA-N 1 1 291.307 1.222 10 5 CDBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050704270 521710040 /nfs/dbraw/zinc/71/00/40/521710040.db2.gz GLIPLUGPFXFAIB-JTQLQIEISA-N 1 1 292.339 1.249 10 5 CDBEMO COC(=O)[C@](C)([NH3+])C[C@@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000068650941 524002030 /nfs/dbraw/zinc/00/20/30/524002030.db2.gz SMKIUJQZOUYZME-NOZJJQNGSA-N 1 1 282.296 1.643 10 5 CDBEMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000760896582 576522525 /nfs/dbraw/zinc/52/25/25/576522525.db2.gz OINCEECHDYCYON-ZIAGYGMSSA-N 1 1 280.324 1.739 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928442770 619087831 /nfs/dbraw/zinc/08/78/31/619087831.db2.gz BYIMTICVFROBNK-MNOVXSKESA-N 1 1 292.339 1.216 10 5 CDBEMO C[C@@H]1C[NH2+]C[C@H]1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000903459733 625994962 /nfs/dbraw/zinc/99/49/62/625994962.db2.gz YHMPFMOXCOFIAD-OCCSQVGLSA-N 1 1 277.368 1.925 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)n1 ZINC001636274608 1166665885 /nfs/dbraw/zinc/66/58/85/1166665885.db2.gz LPCGEZFQERUCMS-MFKMUULPSA-N 1 1 290.323 1.074 10 5 CDBEMO CN(CC[N@@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715819200 1179845660 /nfs/dbraw/zinc/84/56/60/1179845660.db2.gz OYEUIOHOMWZGLL-CHWSQXEVSA-N 1 1 299.415 1.868 10 5 CDBEMO CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715819200 1179845671 /nfs/dbraw/zinc/84/56/71/1179845671.db2.gz OYEUIOHOMWZGLL-CHWSQXEVSA-N 1 1 299.415 1.868 10 5 CDBEMO CN(CC[N@@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715819200 1179845681 /nfs/dbraw/zinc/84/56/81/1179845681.db2.gz OYEUIOHOMWZGLL-CHWSQXEVSA-N 1 1 299.415 1.868 10 5 CDBEMO CC(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733772978 1183528845 /nfs/dbraw/zinc/52/88/45/1183528845.db2.gz OTVGBNYPTSAPRF-CHWSQXEVSA-N 1 1 285.388 1.478 10 5 CDBEMO CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733772978 1183528846 /nfs/dbraw/zinc/52/88/46/1183528846.db2.gz OTVGBNYPTSAPRF-CHWSQXEVSA-N 1 1 285.388 1.478 10 5 CDBEMO CC(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733772978 1183528848 /nfs/dbraw/zinc/52/88/48/1183528848.db2.gz OTVGBNYPTSAPRF-CHWSQXEVSA-N 1 1 285.388 1.478 10 5 CDBEMO Cc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000825640709 1165497241 /nfs/dbraw/zinc/49/72/41/1165497241.db2.gz KPRKNEQVFKJFMC-CYBMUJFWSA-N 1 1 291.351 1.861 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC001137103445 1165822225 /nfs/dbraw/zinc/82/22/25/1165822225.db2.gz VMPGQQXEOUQHMO-MNOVXSKESA-N 1 1 292.339 1.511 10 5 CDBEMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C)n2)C1 ZINC001642185844 1167158435 /nfs/dbraw/zinc/15/84/35/1167158435.db2.gz BBCHSXRKHDBJJF-LLVKDONJSA-N 1 1 292.339 1.512 10 5 CDBEMO COCC[N@H+](CCF)CCOc1cccc([N+](=O)[O-])c1 ZINC000852483302 927795835 /nfs/dbraw/zinc/79/58/35/927795835.db2.gz FSEOWKQJDXXRLB-UHFFFAOYSA-N 1 1 286.303 1.892 10 5 CDBEMO COCC[N@@H+](CCF)CCOc1cccc([N+](=O)[O-])c1 ZINC000852483302 927795846 /nfs/dbraw/zinc/79/58/46/927795846.db2.gz FSEOWKQJDXXRLB-UHFFFAOYSA-N 1 1 286.303 1.892 10 5 CDBEMO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cscn2)c1 ZINC000818987648 930744680 /nfs/dbraw/zinc/74/46/80/930744680.db2.gz FZXRBNPXFRAEEP-LBPRGKRZSA-N 1 1 279.321 1.875 10 5 CDBEMO CO[C@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC001118557852 937640181 /nfs/dbraw/zinc/64/01/81/937640181.db2.gz SUQXKVBHPGUVKS-SWLSCSKDSA-N 1 1 292.335 1.962 10 5 CDBEMO CO[C@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CCOC1 ZINC001118557852 937640183 /nfs/dbraw/zinc/64/01/83/937640183.db2.gz SUQXKVBHPGUVKS-SWLSCSKDSA-N 1 1 292.335 1.962 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000931749312 933618308 /nfs/dbraw/zinc/61/83/08/933618308.db2.gz NQNYJIMTOCFBNS-IUCAKERBSA-N 1 1 252.236 1.928 10 5 CDBEMO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CO ZINC000687623803 934354357 /nfs/dbraw/zinc/35/43/57/934354357.db2.gz KDRVTZIVWMHKSB-LBPRGKRZSA-N 1 1 299.758 1.357 10 5 CDBEMO C[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1CO ZINC000687623803 934354367 /nfs/dbraw/zinc/35/43/67/934354367.db2.gz KDRVTZIVWMHKSB-LBPRGKRZSA-N 1 1 299.758 1.357 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000048482237 934385630 /nfs/dbraw/zinc/38/56/30/934385630.db2.gz NQAHOACNNAYECB-SNVBAGLBSA-N 1 1 278.312 1.001 10 5 CDBEMO Cc1ccnc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719623758 934856538 /nfs/dbraw/zinc/85/65/38/934856538.db2.gz JLZHEBMDNKRWKW-NXEZZACHSA-N 1 1 250.302 1.803 10 5 CDBEMO O=C(Cc1cccc([N+](=O)[O-])c1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802241833 936033633 /nfs/dbraw/zinc/03/36/33/936033633.db2.gz BMGWFTNBQMNRPV-CYBMUJFWSA-N 1 1 296.298 1.724 10 5 CDBEMO O=C(Cc1cccc([N+](=O)[O-])c1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802241833 936033635 /nfs/dbraw/zinc/03/36/35/936033635.db2.gz BMGWFTNBQMNRPV-CYBMUJFWSA-N 1 1 296.298 1.724 10 5 CDBEMO Cc1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000405204953 940974233 /nfs/dbraw/zinc/97/42/33/940974233.db2.gz FOSANAYPUVCIRH-NWDGAFQWSA-N 1 1 277.324 1.158 10 5 CDBEMO CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480391595 971701071 /nfs/dbraw/zinc/70/10/71/971701071.db2.gz SRUXGAKGUOBCOZ-HZBCJCDPSA-N 1 1 293.367 1.054 10 5 CDBEMO CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480391595 971701077 /nfs/dbraw/zinc/70/10/77/971701077.db2.gz SRUXGAKGUOBCOZ-HZBCJCDPSA-N 1 1 293.367 1.054 10 5 CDBEMO CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480391595 971701080 /nfs/dbraw/zinc/70/10/80/971701080.db2.gz SRUXGAKGUOBCOZ-HZBCJCDPSA-N 1 1 293.367 1.054 10 5 CDBEMO Cc1nc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC001331908549 957326991 /nfs/dbraw/zinc/32/69/91/957326991.db2.gz WRCREAPLOXWLPH-GHMZBOCLSA-N 1 1 277.328 1.224 10 5 CDBEMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001542831353 967249411 /nfs/dbraw/zinc/24/94/11/967249411.db2.gz POHQNBGESNAUGM-UHFFFAOYSA-N 1 1 292.339 1.466 10 5 CDBEMO CC(C)C[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC001652264409 1171413832 /nfs/dbraw/zinc/41/38/32/1171413832.db2.gz PZTLHOFTNRVGFB-JTQLQIEISA-N 1 1 294.359 1.134 10 5 CDBEMO Cn1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000601149193 342482308 /nfs/dbraw/zinc/48/23/08/342482308.db2.gz KONWNZBLNKDVNL-CQSZACIVSA-N 1 1 290.323 1.326 10 5 CDBEMO CC[N@@H+](CCCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502429 342507674 /nfs/dbraw/zinc/50/76/74/342507674.db2.gz YWHDMRSHAJSFEX-UHFFFAOYSA-N 1 1 296.323 1.586 10 5 CDBEMO [NH3+]C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593725360 342829487 /nfs/dbraw/zinc/82/94/87/342829487.db2.gz KQDJOYPPVLFJIK-UHFFFAOYSA-N 1 1 251.286 1.224 10 5 CDBEMO Cc1nn(C)c(N[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000265113043 361960103 /nfs/dbraw/zinc/96/01/03/361960103.db2.gz HWMNGLAMMZFCFR-JTQLQIEISA-N 1 1 267.333 1.531 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cs1 ZINC000595608746 343107865 /nfs/dbraw/zinc/10/78/65/343107865.db2.gz VICRPVTYROAPHW-SNVBAGLBSA-N 1 1 293.352 1.770 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cs1 ZINC000595608746 343107867 /nfs/dbraw/zinc/10/78/67/343107867.db2.gz VICRPVTYROAPHW-SNVBAGLBSA-N 1 1 293.352 1.770 10 5 CDBEMO CC[N@H+]1CCC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596088544 343233523 /nfs/dbraw/zinc/23/35/23/343233523.db2.gz UDTJPSRSTZDTOF-SECBINFHSA-N 1 1 266.301 1.592 10 5 CDBEMO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC1C[NH+](C)C1 ZINC000596454201 343324702 /nfs/dbraw/zinc/32/47/02/343324702.db2.gz PKKORIPVHPRXID-UHFFFAOYSA-N 1 1 277.324 1.795 10 5 CDBEMO C[N@H+]1CCC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000091483003 342404435 /nfs/dbraw/zinc/40/44/35/342404435.db2.gz AUANSRNHRGAYDF-JTQLQIEISA-N 1 1 290.327 1.391 10 5 CDBEMO Cc1nn(C)cc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450690497 282295965 /nfs/dbraw/zinc/29/59/65/282295965.db2.gz GZBQJEYUNHMFQL-UHFFFAOYSA-N 1 1 287.323 1.590 10 5 CDBEMO Cc1nn(C)cc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450690497 282295968 /nfs/dbraw/zinc/29/59/68/282295968.db2.gz GZBQJEYUNHMFQL-UHFFFAOYSA-N 1 1 287.323 1.590 10 5 CDBEMO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599054995 343946478 /nfs/dbraw/zinc/94/64/78/343946478.db2.gz LQYWKYXDBKCKNM-ZWNOBZJWSA-N 1 1 290.323 1.713 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000344219223 362557219 /nfs/dbraw/zinc/55/72/19/362557219.db2.gz NTIVUBAOMQJBSH-GXFFZTMASA-N 1 1 279.340 1.643 10 5 CDBEMO CC[NH2+]CC1=N[C@H](c2ccc([N+](=O)[O-])cc2)N(CC)O1 ZINC000584613794 346499885 /nfs/dbraw/zinc/49/98/85/346499885.db2.gz IHNJEHNZJKIACU-ZDUSSCGKSA-N 1 1 278.312 1.869 10 5 CDBEMO CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000611276813 346733702 /nfs/dbraw/zinc/73/37/02/346733702.db2.gz PHXSIWZYBLLXJD-BETUJISGSA-N 1 1 294.351 1.646 10 5 CDBEMO CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000611276813 346733705 /nfs/dbraw/zinc/73/37/05/346733705.db2.gz PHXSIWZYBLLXJD-BETUJISGSA-N 1 1 294.351 1.646 10 5 CDBEMO Cc1[nH+]ccn1CCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000271213827 191006241 /nfs/dbraw/zinc/00/62/41/191006241.db2.gz STDVYGBADMDESN-UHFFFAOYSA-N 1 1 262.269 1.270 10 5 CDBEMO COc1cc(N2CCC[N@@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000107040019 186156317 /nfs/dbraw/zinc/15/63/17/186156317.db2.gz AQAUQCPHOJZHIB-UHFFFAOYSA-N 1 1 295.339 1.108 10 5 CDBEMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273497748 192175158 /nfs/dbraw/zinc/17/51/58/192175158.db2.gz YDAJEVCHOXFVAE-LBPRGKRZSA-N 1 1 278.308 1.898 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC23CCC3)c1 ZINC000365625751 366220498 /nfs/dbraw/zinc/22/04/98/366220498.db2.gz HYONDXRGBMAJPQ-UHFFFAOYSA-N 1 1 250.302 1.810 10 5 CDBEMO C[N@H+]1CC[C@@H]2OCCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284484004 283090858 /nfs/dbraw/zinc/09/08/58/283090858.db2.gz GTVYMOLBOGKIGO-KGLIPLIRSA-N 1 1 295.314 1.643 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000061605866 360464514 /nfs/dbraw/zinc/46/45/14/360464514.db2.gz HIGJSFSSYJAAOX-UHFFFAOYSA-N 1 1 289.335 1.905 10 5 CDBEMO Cn1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365520799 364730262 /nfs/dbraw/zinc/73/02/62/364730262.db2.gz ZRISJGRLVFQYLU-UHFFFAOYSA-N 1 1 290.327 1.362 10 5 CDBEMO CC1(C)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090525749 367568641 /nfs/dbraw/zinc/56/86/41/367568641.db2.gz ADUQCFIZWWQMMP-UHFFFAOYSA-N 1 1 265.313 1.631 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000139753656 370978482 /nfs/dbraw/zinc/97/84/82/370978482.db2.gz DMMUKHQTESOLCB-ZDUSSCGKSA-N 1 1 292.339 1.488 10 5 CDBEMO C[N@@H+](CCCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000276418561 193323481 /nfs/dbraw/zinc/32/34/81/193323481.db2.gz QMAMUPDNDOVJNZ-UHFFFAOYSA-N 1 1 268.313 1.678 10 5 CDBEMO C[N@@H+](Cc1cnccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269624433 373205292 /nfs/dbraw/zinc/20/52/92/373205292.db2.gz CHGKBEFKLVAEGE-AWEZNQCLSA-N 1 1 288.307 1.550 10 5 CDBEMO C[N@H+](Cc1cnccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269624433 373205297 /nfs/dbraw/zinc/20/52/97/373205297.db2.gz CHGKBEFKLVAEGE-AWEZNQCLSA-N 1 1 288.307 1.550 10 5 CDBEMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cn1 ZINC000370514166 374394029 /nfs/dbraw/zinc/39/40/29/374394029.db2.gz MFXOPPJPAZZJLB-WDEREUQCSA-N 1 1 290.323 1.346 10 5 CDBEMO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000377569703 374610837 /nfs/dbraw/zinc/61/08/37/374610837.db2.gz WXVAZSCXJNVCDL-NSHDSACASA-N 1 1 299.277 1.582 10 5 CDBEMO Cc1c(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331164388 374898149 /nfs/dbraw/zinc/89/81/49/374898149.db2.gz LVQVNGUBHXODLG-IUODEOHRSA-N 1 1 294.351 1.875 10 5 CDBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000302475566 375205966 /nfs/dbraw/zinc/20/59/66/375205966.db2.gz WRNCKQXGFIEPLQ-LLVKDONJSA-N 1 1 265.313 1.098 10 5 CDBEMO CN(c1ncccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354078961 375673411 /nfs/dbraw/zinc/67/34/11/375673411.db2.gz ARYQGFVOXXVOIE-LLVKDONJSA-N 1 1 262.313 1.663 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356845567 375864956 /nfs/dbraw/zinc/86/49/56/375864956.db2.gz HMXRJTYFYZNRMT-MNOVXSKESA-N 1 1 292.339 1.463 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000356845567 375864962 /nfs/dbraw/zinc/86/49/62/375864962.db2.gz HMXRJTYFYZNRMT-MNOVXSKESA-N 1 1 292.339 1.463 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000449787213 251024722 /nfs/dbraw/zinc/02/47/22/251024722.db2.gz TZCZWPHYEDWUDI-LLVKDONJSA-N 1 1 297.330 1.232 10 5 CDBEMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450469783 251299572 /nfs/dbraw/zinc/29/95/72/251299572.db2.gz RWGZJQFTCBKWCD-LLVKDONJSA-N 1 1 294.355 1.271 10 5 CDBEMO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000490085726 253028765 /nfs/dbraw/zinc/02/87/65/253028765.db2.gz XBTQHUNCKDXRLX-AWEZNQCLSA-N 1 1 280.324 1.832 10 5 CDBEMO C[C@H]1CCSCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408062581 391195475 /nfs/dbraw/zinc/19/54/75/391195475.db2.gz OFSWILGPUJJDTM-VIFPVBQESA-N 1 1 270.358 1.656 10 5 CDBEMO C[C@H]1CCSCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408062581 391195479 /nfs/dbraw/zinc/19/54/79/391195479.db2.gz OFSWILGPUJJDTM-VIFPVBQESA-N 1 1 270.358 1.656 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459644276 392495618 /nfs/dbraw/zinc/49/56/18/392495618.db2.gz DNEIWMLZQDKLDF-RISCZKNCSA-N 1 1 280.324 1.475 10 5 CDBEMO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000301633810 392786423 /nfs/dbraw/zinc/78/64/23/392786423.db2.gz DJQCTLARQPZGGG-KGLIPLIRSA-N 1 1 277.324 1.422 10 5 CDBEMO Cc1ccc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301645364 392793921 /nfs/dbraw/zinc/79/39/21/392793921.db2.gz HQXZEGQPCAGCJM-UONOGXRCSA-N 1 1 277.324 1.422 10 5 CDBEMO CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532134206 393068063 /nfs/dbraw/zinc/06/80/63/393068063.db2.gz JHVAFLCTNGPPPR-UHFFFAOYSA-N 1 1 278.312 1.156 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000302786480 393201118 /nfs/dbraw/zinc/20/11/18/393201118.db2.gz WDKNJTICSAZFID-LLVKDONJSA-N 1 1 264.329 1.829 10 5 CDBEMO CCOc1ccc([C@H](C)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000423197079 397602547 /nfs/dbraw/zinc/60/25/47/397602547.db2.gz XQCYGTHHVGJOEV-JTQLQIEISA-N 1 1 267.329 1.993 10 5 CDBEMO COc1ccc(C[N@H+]2CC[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000312836575 149239561 /nfs/dbraw/zinc/23/95/61/149239561.db2.gz OKVZOBLYICLOFC-CYBMUJFWSA-N 1 1 280.324 1.949 10 5 CDBEMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])o2)cn1 ZINC000037235963 173054631 /nfs/dbraw/zinc/05/46/31/173054631.db2.gz QANDFBGQTFIXIQ-UHFFFAOYSA-N 1 1 263.253 1.881 10 5 CDBEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000071189326 176065054 /nfs/dbraw/zinc/06/50/54/176065054.db2.gz DFEWXZDSARUYIV-SNVBAGLBSA-N 1 1 295.314 1.758 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000250139101 270305571 /nfs/dbraw/zinc/30/55/71/270305571.db2.gz YPPWUMIYJOBBKJ-ZDUSSCGKSA-N 1 1 293.367 1.402 10 5 CDBEMO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302402306 274363229 /nfs/dbraw/zinc/36/32/29/274363229.db2.gz KHJZYIROFVQBTM-SNVBAGLBSA-N 1 1 299.758 1.751 10 5 CDBEMO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302402306 274363230 /nfs/dbraw/zinc/36/32/30/274363230.db2.gz KHJZYIROFVQBTM-SNVBAGLBSA-N 1 1 299.758 1.751 10 5 CDBEMO CN(CCC[N@@H+](C)CC1CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001673434094 1173856796 /nfs/dbraw/zinc/85/67/96/1173856796.db2.gz DUGJEKRXLZLNOK-CHWSQXEVSA-N 1 1 283.372 1.232 10 5 CDBEMO CN(CCC[N@H+](C)CC1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001673434094 1173856800 /nfs/dbraw/zinc/85/68/00/1173856800.db2.gz DUGJEKRXLZLNOK-CHWSQXEVSA-N 1 1 283.372 1.232 10 5 CDBEMO CN(CCC[N@@H+](C)CC1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001673434094 1173856805 /nfs/dbraw/zinc/85/68/05/1173856805.db2.gz DUGJEKRXLZLNOK-CHWSQXEVSA-N 1 1 283.372 1.232 10 5 CDBEMO C[N@H+]1CCC[C@@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455215 523816873 /nfs/dbraw/zinc/81/68/73/523816873.db2.gz SEHDYOCLGYJXPN-SSDOTTSWSA-N 1 1 271.708 1.544 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCSc1ccc([N+](=O)[O-])cc1 ZINC000062596674 523912979 /nfs/dbraw/zinc/91/29/79/523912979.db2.gz GNEBYTNFTKFWIU-SNVBAGLBSA-N 1 1 270.310 1.577 10 5 CDBEMO COC(=O)[C@](C)([NH3+])C[C@H](C)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000068651052 524002131 /nfs/dbraw/zinc/00/21/31/524002131.db2.gz QFBRBUASNOCFMZ-IINYFYTJSA-N 1 1 296.323 1.951 10 5 CDBEMO Cc1nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000756881828 577012550 /nfs/dbraw/zinc/01/25/50/577012550.db2.gz UJLLKSAZTXENAW-CHWSQXEVSA-N 1 1 294.355 1.867 10 5 CDBEMO Cc1nn(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000756881828 577012554 /nfs/dbraw/zinc/01/25/54/577012554.db2.gz UJLLKSAZTXENAW-CHWSQXEVSA-N 1 1 294.355 1.867 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC000923464810 618340641 /nfs/dbraw/zinc/34/06/41/618340641.db2.gz SSIIBYQFCOFFHA-LBPRGKRZSA-N 1 1 278.356 1.151 10 5 CDBEMO C/C(=C\C(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928559651 619379849 /nfs/dbraw/zinc/37/98/49/619379849.db2.gz LQDQVVCYVVUFFU-MARXPDLDSA-N 1 1 289.335 1.818 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903471640 626003984 /nfs/dbraw/zinc/00/39/84/626003984.db2.gz LQKVRBBNBZBVAC-CYBMUJFWSA-N 1 1 277.324 1.675 10 5 CDBEMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000913534143 630538559 /nfs/dbraw/zinc/53/85/59/630538559.db2.gz NVKVFTVGHDOQQN-PHIMTYICSA-N 1 1 293.298 1.653 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000913534143 630538560 /nfs/dbraw/zinc/53/85/60/630538560.db2.gz NVKVFTVGHDOQQN-PHIMTYICSA-N 1 1 293.298 1.653 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000866207571 1164751337 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ZINC000931710818 617683103 /nfs/dbraw/zinc/68/31/03/617683103.db2.gz YCUMMAQZSACVJQ-ZDUSSCGKSA-N 1 1 261.325 1.748 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928439240 619083319 /nfs/dbraw/zinc/08/33/19/619083319.db2.gz LHRZFDRWHVJXLM-FZMZJTMJSA-N 1 1 291.351 1.736 10 5 CDBEMO Cc1sc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912921959 630290727 /nfs/dbraw/zinc/29/07/27/630290727.db2.gz HKXXPPYOAKUYRJ-JTQLQIEISA-N 1 1 295.364 1.885 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001651869499 1171372744 /nfs/dbraw/zinc/37/27/44/1171372744.db2.gz PRIJJBGWQASFBM-MNOVXSKESA-N 1 1 279.344 1.260 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC1CCC1 ZINC001654999523 1171658530 /nfs/dbraw/zinc/65/85/30/1171658530.db2.gz ZJLCURUSXLUSST-UHFFFAOYSA-N 1 1 252.318 1.832 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1C ZINC001586743908 1172958353 /nfs/dbraw/zinc/95/83/53/1172958353.db2.gz ZVSOKANUUHLFDF-ZJUUUORDSA-N 1 1 295.343 1.263 10 5 CDBEMO CC(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717206724 1180574516 /nfs/dbraw/zinc/57/45/16/1180574516.db2.gz PXGDOUJNWZGIMX-VXGBXAGGSA-N 1 1 271.361 1.088 10 5 CDBEMO CC(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717206724 1180574519 /nfs/dbraw/zinc/57/45/19/1180574519.db2.gz PXGDOUJNWZGIMX-VXGBXAGGSA-N 1 1 271.361 1.088 10 5 CDBEMO CC(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717206724 1180574523 /nfs/dbraw/zinc/57/45/23/1180574523.db2.gz PXGDOUJNWZGIMX-VXGBXAGGSA-N 1 1 271.361 1.088 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCCCC1 ZINC001731770584 1182564964 /nfs/dbraw/zinc/56/49/64/1182564964.db2.gz XVYQYOQKFMWFSL-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCCC1 ZINC001731770584 1182564967 /nfs/dbraw/zinc/56/49/67/1182564967.db2.gz XVYQYOQKFMWFSL-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCCC1 ZINC001731770584 1182564969 /nfs/dbraw/zinc/56/49/69/1182564969.db2.gz XVYQYOQKFMWFSL-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO Cc1nn(CN2CC[N@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000247200235 790368711 /nfs/dbraw/zinc/36/87/11/790368711.db2.gz WAOIZGRAHJHWDU-LBPRGKRZSA-N 1 1 279.344 1.146 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000712613470 790842495 /nfs/dbraw/zinc/84/24/95/790842495.db2.gz HCWKPKJLMRFYIW-JTQLQIEISA-N 1 1 250.302 1.804 10 5 CDBEMO Cn1cc(C[N@H+]2CCCC23CCC3)c([N+](=O)[O-])n1 ZINC000878517692 1166201662 /nfs/dbraw/zinc/20/16/62/1166201662.db2.gz URGLBJBLJNQAJA-UHFFFAOYSA-N 1 1 250.302 1.847 10 5 CDBEMO Cc1nn(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000840143776 792326457 /nfs/dbraw/zinc/32/64/57/792326457.db2.gz XYUUFKUAZSDYRI-AWEZNQCLSA-N 1 1 294.355 1.868 10 5 CDBEMO Cc1nn(C[N@H+]2CCC[C@]3(CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000840143776 792326470 /nfs/dbraw/zinc/32/64/70/792326470.db2.gz XYUUFKUAZSDYRI-AWEZNQCLSA-N 1 1 294.355 1.868 10 5 CDBEMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000776801568 793043259 /nfs/dbraw/zinc/04/32/59/793043259.db2.gz VMKGEURXRCGCNU-HUUCEWRRSA-N 1 1 292.335 1.739 10 5 CDBEMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000776801568 793043267 /nfs/dbraw/zinc/04/32/67/793043267.db2.gz VMKGEURXRCGCNU-HUUCEWRRSA-N 1 1 292.335 1.739 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)C3CC3)C2)nc1 ZINC000838895629 793167925 /nfs/dbraw/zinc/16/79/25/793167925.db2.gz SDHCJOHPMNSIGO-AAEUAGOBSA-N 1 1 292.339 1.247 10 5 CDBEMO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000312517440 794876710 /nfs/dbraw/zinc/87/67/10/794876710.db2.gz OBCPUJDULFIKSI-RYUDHWBXSA-N 1 1 284.287 1.316 10 5 CDBEMO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000312517440 794876713 /nfs/dbraw/zinc/87/67/13/794876713.db2.gz OBCPUJDULFIKSI-RYUDHWBXSA-N 1 1 284.287 1.316 10 5 CDBEMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000812879993 795873138 /nfs/dbraw/zinc/87/31/38/795873138.db2.gz YJCHOZNUTRKIPV-KBPBESRZSA-N 1 1 280.324 1.739 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)C3CC3)C2)nc1 ZINC000838895630 796017716 /nfs/dbraw/zinc/01/77/16/796017716.db2.gz SDHCJOHPMNSIGO-DGCLKSJQSA-N 1 1 292.339 1.247 10 5 CDBEMO C[N@H+](CCO[C@@H]1CCOC1)Cc1ccccc1[N+](=O)[O-] ZINC000929165726 796057821 /nfs/dbraw/zinc/05/78/21/796057821.db2.gz VOEDTOVCTCGASW-CYBMUJFWSA-N 1 1 280.324 1.832 10 5 CDBEMO C[N@@H+](CCO[C@@H]1CCOC1)Cc1ccccc1[N+](=O)[O-] ZINC000929165726 796057823 /nfs/dbraw/zinc/05/78/23/796057823.db2.gz VOEDTOVCTCGASW-CYBMUJFWSA-N 1 1 280.324 1.832 10 5 CDBEMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001641352124 1167098683 /nfs/dbraw/zinc/09/86/83/1167098683.db2.gz VPOURFRTLOPKGV-JTQLQIEISA-N 1 1 292.339 1.343 10 5 CDBEMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001641352124 1167098687 /nfs/dbraw/zinc/09/86/87/1167098687.db2.gz VPOURFRTLOPKGV-JTQLQIEISA-N 1 1 292.339 1.343 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1CCCC1 ZINC001266272814 894039793 /nfs/dbraw/zinc/03/97/93/894039793.db2.gz CTCHDCFAVFGVLE-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1CCCC1 ZINC001266272814 894039802 /nfs/dbraw/zinc/03/98/02/894039802.db2.gz CTCHDCFAVFGVLE-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1CCCC1 ZINC001266272814 894039822 /nfs/dbraw/zinc/03/98/22/894039822.db2.gz CTCHDCFAVFGVLE-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001198751305 925516574 /nfs/dbraw/zinc/51/65/74/925516574.db2.gz CJRQMTYBVBWIHT-UPJWGTAASA-N 1 1 294.351 1.579 10 5 CDBEMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001124088716 936283480 /nfs/dbraw/zinc/28/34/80/936283480.db2.gz XUGRXSHARBOOEY-WCFLWFBJSA-N 1 1 289.335 1.665 10 5 CDBEMO CC(C)CCC[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001493545420 972079295 /nfs/dbraw/zinc/07/92/95/972079295.db2.gz NLGTUHVCJUXIJG-VXGBXAGGSA-N 1 1 271.361 1.136 10 5 CDBEMO CCC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317436467 957468866 /nfs/dbraw/zinc/46/88/66/957468866.db2.gz HXQMWOBRBSROOH-UHFFFAOYSA-N 1 1 265.313 1.553 10 5 CDBEMO CCC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001317436467 957468872 /nfs/dbraw/zinc/46/88/72/957468872.db2.gz HXQMWOBRBSROOH-UHFFFAOYSA-N 1 1 265.313 1.553 10 5 CDBEMO O=[N+]([O-])c1cccc(CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1 ZINC001655001616 1171658983 /nfs/dbraw/zinc/65/89/83/1171658983.db2.gz RTSBKHKUIMOFNK-JSGCOSHPSA-N 1 1 279.315 1.823 10 5 CDBEMO O=[N+]([O-])c1cccc(CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1 ZINC001655001616 1171658986 /nfs/dbraw/zinc/65/89/86/1171658986.db2.gz RTSBKHKUIMOFNK-JSGCOSHPSA-N 1 1 279.315 1.823 10 5 CDBEMO CC(C)[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601103072 342465912 /nfs/dbraw/zinc/46/59/12/342465912.db2.gz MXPMYZOZZTTZIS-UHFFFAOYSA-N 1 1 268.292 1.659 10 5 CDBEMO CCC[N@@H+](CCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495190 342507840 /nfs/dbraw/zinc/50/78/40/342507840.db2.gz HQHDFLNEPLNYDL-UHFFFAOYSA-N 1 1 296.323 1.586 10 5 CDBEMO COc1cc(C[N@@H+](C)[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000593108385 342768924 /nfs/dbraw/zinc/76/89/24/342768924.db2.gz NPVFZDJIKXCQQN-JTQLQIEISA-N 1 1 268.313 1.806 10 5 CDBEMO C[NH2+]CCCN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593726404 342829388 /nfs/dbraw/zinc/82/93/88/342829388.db2.gz GJPJRDHVURMUTH-UHFFFAOYSA-N 1 1 253.302 1.342 10 5 CDBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000593727027 342829670 /nfs/dbraw/zinc/82/96/70/342829670.db2.gz AOTXTOLAFMSQDE-UHFFFAOYSA-N 1 1 251.286 1.222 10 5 CDBEMO C[C@@H]1[NH2+]CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000593727462 342829697 /nfs/dbraw/zinc/82/96/97/342829697.db2.gz LJLUKNJDSMZGLT-UWVGGRQHSA-N 1 1 265.313 1.483 10 5 CDBEMO CC(C)C[N@@H+](C)CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000593754985 342833283 /nfs/dbraw/zinc/83/32/83/342833283.db2.gz WIMJIGMKJUAAKE-UHFFFAOYSA-N 1 1 283.332 1.026 10 5 CDBEMO CC(C)C[N@H+](C)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000593754985 342833284 /nfs/dbraw/zinc/83/32/84/342833284.db2.gz WIMJIGMKJUAAKE-UHFFFAOYSA-N 1 1 283.332 1.026 10 5 CDBEMO CC(C)C[N@@H+](C)CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000593754985 342833285 /nfs/dbraw/zinc/83/32/85/342833285.db2.gz WIMJIGMKJUAAKE-UHFFFAOYSA-N 1 1 283.332 1.026 10 5 CDBEMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000595767439 343146253 /nfs/dbraw/zinc/14/62/53/343146253.db2.gz XJBVRGXSQAFYGG-ZYHUDNBSSA-N 1 1 280.324 1.949 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599821115 344145263 /nfs/dbraw/zinc/14/52/63/344145263.db2.gz VGDSXFQXZUGHCI-UHFFFAOYSA-N 1 1 288.307 1.725 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000295092121 199341210 /nfs/dbraw/zinc/34/12/10/199341210.db2.gz AFMGRZKRZCTDND-GXFFZTMASA-N 1 1 280.324 1.949 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000295092121 199341212 /nfs/dbraw/zinc/34/12/12/199341212.db2.gz AFMGRZKRZCTDND-GXFFZTMASA-N 1 1 280.324 1.949 10 5 CDBEMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297494 362653471 /nfs/dbraw/zinc/65/34/71/362653471.db2.gz PIKSMSGBJJAMIC-LLVKDONJSA-N 1 1 250.302 1.886 10 5 CDBEMO C[N@@H+](CCNC(=O)c1ccnc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000085684904 179115170 /nfs/dbraw/zinc/11/51/70/179115170.db2.gz YYUKWMNLBJAIRE-UHFFFAOYSA-N 1 1 298.730 1.467 10 5 CDBEMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000107820202 186192838 /nfs/dbraw/zinc/19/28/38/186192838.db2.gz PDGGGYKDRNLONW-SNVBAGLBSA-N 1 1 294.307 1.598 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000107820202 186192840 /nfs/dbraw/zinc/19/28/40/186192840.db2.gz PDGGGYKDRNLONW-SNVBAGLBSA-N 1 1 294.307 1.598 10 5 CDBEMO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000107824061 186194751 /nfs/dbraw/zinc/19/47/51/186194751.db2.gz GHISWTYZAGGCCE-VIFPVBQESA-N 1 1 282.271 1.729 10 5 CDBEMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000107824061 186194753 /nfs/dbraw/zinc/19/47/53/186194753.db2.gz GHISWTYZAGGCCE-VIFPVBQESA-N 1 1 282.271 1.729 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401498084 356247904 /nfs/dbraw/zinc/24/79/04/356247904.db2.gz MGOJLLFTXFEGEQ-GWCFXTLKSA-N 1 1 280.324 1.806 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401498084 356247908 /nfs/dbraw/zinc/24/79/08/356247908.db2.gz MGOJLLFTXFEGEQ-GWCFXTLKSA-N 1 1 280.324 1.806 10 5 CDBEMO CN(CC[N@@H+](C)C1CC1)c1ccncc1[N+](=O)[O-] ZINC000361006277 357771195 /nfs/dbraw/zinc/77/11/95/357771195.db2.gz CEONRYUGJSGQPO-UHFFFAOYSA-N 1 1 250.302 1.520 10 5 CDBEMO Cc1cc(NC[C@@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000220204325 358044088 /nfs/dbraw/zinc/04/40/88/358044088.db2.gz XRPYIWGQNFHVON-JTQLQIEISA-N 1 1 250.302 1.804 10 5 CDBEMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000294720657 199150994 /nfs/dbraw/zinc/15/09/94/199150994.db2.gz CLOZDSPAXSTDKL-ZWNOBZJWSA-N 1 1 250.298 1.940 10 5 CDBEMO CC1(C)[C@@H](O)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000361425383 358177707 /nfs/dbraw/zinc/17/77/07/358177707.db2.gz FKSQSEUKRJMLGW-ZDUSSCGKSA-N 1 1 280.324 1.819 10 5 CDBEMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000361558015 358319847 /nfs/dbraw/zinc/31/98/47/358319847.db2.gz UOHCFHCXJDVVFQ-SMDDNHRTSA-N 1 1 280.324 1.567 10 5 CDBEMO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000271596851 367021655 /nfs/dbraw/zinc/02/16/55/367021655.db2.gz HHBQVPQLDYQENM-WCBMZHEXSA-N 1 1 251.286 1.509 10 5 CDBEMO Cc1ccnc(N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000265189979 368578618 /nfs/dbraw/zinc/57/86/18/368578618.db2.gz KNLXAIAWCXZLLZ-UHFFFAOYSA-N 1 1 262.313 1.583 10 5 CDBEMO COC(=O)c1cnc(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000276608708 193399551 /nfs/dbraw/zinc/39/95/51/193399551.db2.gz SHHTYNKTQVXDNO-JTQLQIEISA-N 1 1 294.311 1.283 10 5 CDBEMO COCC[N@H+]1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301297658 373504907 /nfs/dbraw/zinc/50/49/07/373504907.db2.gz SVSVEZPYOHDGGT-LLVKDONJSA-N 1 1 297.359 1.159 10 5 CDBEMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1CCO ZINC000418989154 374271987 /nfs/dbraw/zinc/27/19/87/374271987.db2.gz BQKYEELPJWCJTK-ZJUUUORDSA-N 1 1 298.318 1.020 10 5 CDBEMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1CCO ZINC000418989154 374271996 /nfs/dbraw/zinc/27/19/96/374271996.db2.gz BQKYEELPJWCJTK-ZJUUUORDSA-N 1 1 298.318 1.020 10 5 CDBEMO Cc1cnc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419010220 374274733 /nfs/dbraw/zinc/27/47/33/374274733.db2.gz XQUXRBUGFGUSKO-NEPJUHHUSA-N 1 1 294.355 1.190 10 5 CDBEMO Cc1cnc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419010220 374274744 /nfs/dbraw/zinc/27/47/44/374274744.db2.gz XQUXRBUGFGUSKO-NEPJUHHUSA-N 1 1 294.355 1.190 10 5 CDBEMO COc1cc(C[N@H+]2C[C@@H](O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352778370 375539097 /nfs/dbraw/zinc/53/90/97/375539097.db2.gz KAOQVBKRBBJZPX-KOLCDFICSA-N 1 1 266.297 1.559 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCc2[nH]cnc2C1 ZINC000357545580 375916826 /nfs/dbraw/zinc/91/68/26/375916826.db2.gz IAHXAIUKYQXESU-VIFPVBQESA-N 1 1 290.327 1.812 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357545580 375916831 /nfs/dbraw/zinc/91/68/31/375916831.db2.gz IAHXAIUKYQXESU-VIFPVBQESA-N 1 1 290.327 1.812 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357545580 375916834 /nfs/dbraw/zinc/91/68/34/375916834.db2.gz IAHXAIUKYQXESU-VIFPVBQESA-N 1 1 290.327 1.812 10 5 CDBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1CC(C)(C)O ZINC000443985712 250070157 /nfs/dbraw/zinc/07/01/57/250070157.db2.gz IHWDOXOTTSBJAH-LLVKDONJSA-N 1 1 294.355 1.271 10 5 CDBEMO Cc1nc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000245773437 379327784 /nfs/dbraw/zinc/32/77/84/379327784.db2.gz NRAVLHMUVLPEAF-NSHDSACASA-N 1 1 262.313 1.583 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000449785505 251022522 /nfs/dbraw/zinc/02/25/22/251022522.db2.gz GXKFRTLBRYQODH-LBPRGKRZSA-N 1 1 279.340 1.093 10 5 CDBEMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000401857618 390566945 /nfs/dbraw/zinc/56/69/45/390566945.db2.gz XVXZTKFDFQKWNZ-ZWNOBZJWSA-N 1 1 250.298 1.798 10 5 CDBEMO Cc1cc(N2CC[N@H+](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000408276309 391052607 /nfs/dbraw/zinc/05/26/07/391052607.db2.gz GSGLVUOGVOXOQO-JTQLQIEISA-N 1 1 250.302 1.439 10 5 CDBEMO C[N@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000408465499 391649645 /nfs/dbraw/zinc/64/96/45/391649645.db2.gz HDTHNMYBHUKRHM-VXGBXAGGSA-N 1 1 296.302 1.038 10 5 CDBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459702383 392497398 /nfs/dbraw/zinc/49/73/98/392497398.db2.gz GUZIMSCHMHWUEZ-YFCVBGDOSA-N 1 1 292.335 1.427 10 5 CDBEMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000421383737 392932990 /nfs/dbraw/zinc/93/29/90/392932990.db2.gz DJQOQHRQNHKRRR-GFCCVEGCSA-N 1 1 277.324 1.471 10 5 CDBEMO Cc1cccc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284422178 393191915 /nfs/dbraw/zinc/19/19/15/393191915.db2.gz CLWCRPMBPVVDHR-KGLIPLIRSA-N 1 1 291.351 1.813 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305835687 397606960 /nfs/dbraw/zinc/60/69/60/397606960.db2.gz FSIJNHDMAONUMZ-JQWIXIFHSA-N 1 1 280.324 1.806 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1N1CCC[N@@H+](CCO)CC1 ZINC000071349711 176133341 /nfs/dbraw/zinc/13/33/41/176133341.db2.gz UDWHDOLOFIBGBG-UHFFFAOYSA-N 1 1 279.340 1.408 10 5 CDBEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000078411546 177339370 /nfs/dbraw/zinc/33/93/70/177339370.db2.gz QJULRVNTDGYOLG-SNVBAGLBSA-N 1 1 292.339 1.201 10 5 CDBEMO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000338710366 274118449 /nfs/dbraw/zinc/11/84/49/274118449.db2.gz RSSKIYFSNLGVKM-LLVKDONJSA-N 1 1 295.339 1.106 10 5 CDBEMO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000338710366 274118450 /nfs/dbraw/zinc/11/84/50/274118450.db2.gz RSSKIYFSNLGVKM-LLVKDONJSA-N 1 1 295.339 1.106 10 5 CDBEMO CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001668426914 1173412862 /nfs/dbraw/zinc/41/28/62/1173412862.db2.gz XEMILWHPWFHDTK-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO CCOCC[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555974690 290249729 /nfs/dbraw/zinc/24/97/29/290249729.db2.gz LHODDAWBJRMGSS-CYBMUJFWSA-N 1 1 294.351 1.740 10 5 CDBEMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183341751 323331283 /nfs/dbraw/zinc/33/12/83/323331283.db2.gz NPSVFWMOPMLZDO-ZDUSSCGKSA-N 1 1 291.351 1.861 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCSc1ccc([N+](=O)[O-])cc1 ZINC000062596671 521072592 /nfs/dbraw/zinc/07/25/92/521072592.db2.gz ODIXLJAGSPWFDW-NSHDSACASA-N 1 1 284.337 1.967 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](CC(N)=O)CC(C)C ZINC000050815818 522645877 /nfs/dbraw/zinc/64/58/77/522645877.db2.gz VXSBXPDJINDHNR-UHFFFAOYSA-N 1 1 294.355 1.580 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+](CC(N)=O)CC(C)C ZINC000050815818 522645891 /nfs/dbraw/zinc/64/58/91/522645891.db2.gz VXSBXPDJINDHNR-UHFFFAOYSA-N 1 1 294.355 1.580 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)C1CC1 ZINC000050818010 522646264 /nfs/dbraw/zinc/64/62/64/522646264.db2.gz OCLKIDNGCQIYAP-UHFFFAOYSA-N 1 1 265.313 1.593 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000050705811 523817062 /nfs/dbraw/zinc/81/70/62/523817062.db2.gz GUTDIXGREHHQKH-SNVBAGLBSA-N 1 1 278.312 1.001 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCC1 ZINC000337288929 525560819 /nfs/dbraw/zinc/56/08/19/525560819.db2.gz IYGJNRRZBDGILN-UHFFFAOYSA-N 1 1 263.297 1.339 10 5 CDBEMO Nc1ccc(C[N@@H+](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000050817989 527481278 /nfs/dbraw/zinc/48/12/78/527481278.db2.gz BMYDZNHIQWSSGE-UHFFFAOYSA-N 1 1 251.286 1.134 10 5 CDBEMO O=c1ccccn1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757164845 577033051 /nfs/dbraw/zinc/03/30/51/577033051.db2.gz YHFLSESLWQTWFP-UHFFFAOYSA-N 1 1 299.330 1.815 10 5 CDBEMO O=c1ccccn1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757164845 577033054 /nfs/dbraw/zinc/03/30/54/577033054.db2.gz YHFLSESLWQTWFP-UHFFFAOYSA-N 1 1 299.330 1.815 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000139761452 617324106 /nfs/dbraw/zinc/32/41/06/617324106.db2.gz DQGKYUDOGYEGCA-LBPRGKRZSA-N 1 1 294.380 1.975 10 5 CDBEMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928434622 619075519 /nfs/dbraw/zinc/07/55/19/619075519.db2.gz WSPCWKLNYBOBTO-KOLCDFICSA-N 1 1 295.314 1.865 10 5 CDBEMO Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000923912452 621573027 /nfs/dbraw/zinc/57/30/27/621573027.db2.gz YPOXQPAAPSLAFJ-LBPRGKRZSA-N 1 1 292.339 1.407 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000915089850 631647671 /nfs/dbraw/zinc/64/76/71/631647671.db2.gz MOHHYBLBFIFPAJ-MFKMUULPSA-N 1 1 292.339 1.487 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001636536120 1166682280 /nfs/dbraw/zinc/68/22/80/1166682280.db2.gz WUHKPHXVVMIYKR-QWRGUYRKSA-N 1 1 292.339 1.463 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001636536120 1166682282 /nfs/dbraw/zinc/68/22/82/1166682282.db2.gz WUHKPHXVVMIYKR-QWRGUYRKSA-N 1 1 292.339 1.463 10 5 CDBEMO CC(C)[N@H+]1CCC[C@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001651444380 1171324384 /nfs/dbraw/zinc/32/43/84/1171324384.db2.gz RIFTXZXIQSOQPC-LLVKDONJSA-N 1 1 281.360 1.861 10 5 CDBEMO CC[N@@H+]1CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001587893162 1173003570 /nfs/dbraw/zinc/00/35/70/1173003570.db2.gz RCSOJZNZVIRNIP-CQSZACIVSA-N 1 1 289.335 1.574 10 5 CDBEMO CC[N@H+]1CC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001587893162 1173003573 /nfs/dbraw/zinc/00/35/73/1173003573.db2.gz RCSOJZNZVIRNIP-CQSZACIVSA-N 1 1 289.335 1.574 10 5 CDBEMO CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001714303222 1179076215 /nfs/dbraw/zinc/07/62/15/1179076215.db2.gz XJKGGFVXEWFQLH-FDYHWXHSSA-N 1 1 283.372 1.469 10 5 CDBEMO CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001717452642 1180678455 /nfs/dbraw/zinc/67/84/55/1180678455.db2.gz LVLLRRLDXFCTTJ-VXGBXAGGSA-N 1 1 285.388 1.526 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866206512 1164750860 /nfs/dbraw/zinc/75/08/60/1164750860.db2.gz DNSPTBUOGPMXTL-NWDGAFQWSA-N 1 1 293.371 1.650 10 5 CDBEMO COc1cc(NCC(F)(F)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000162686899 796491660 /nfs/dbraw/zinc/49/16/60/796491660.db2.gz TZZNYJSJQZNIAO-UHFFFAOYSA-N 1 1 291.254 1.618 10 5 CDBEMO Cc1nn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000779866211 798005665 /nfs/dbraw/zinc/00/56/65/798005665.db2.gz DFNOMJOZPJKLSD-RYUDHWBXSA-N 1 1 280.328 1.558 10 5 CDBEMO Cc1nn(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000779866211 798005673 /nfs/dbraw/zinc/00/56/73/798005673.db2.gz DFNOMJOZPJKLSD-RYUDHWBXSA-N 1 1 280.328 1.558 10 5 CDBEMO CCOCC(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001266252825 893926850 /nfs/dbraw/zinc/92/68/50/893926850.db2.gz BVZQXKCBSANHHX-UHFFFAOYSA-N 1 1 295.339 1.179 10 5 CDBEMO CCOCC(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001266252825 893926871 /nfs/dbraw/zinc/92/68/71/893926871.db2.gz BVZQXKCBSANHHX-UHFFFAOYSA-N 1 1 295.339 1.179 10 5 CDBEMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000922157334 921293191 /nfs/dbraw/zinc/29/31/91/921293191.db2.gz XJASRLGRWJBMLE-LLVKDONJSA-N 1 1 295.314 1.487 10 5 CDBEMO CC[N@H+]1CC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000712613474 909569959 /nfs/dbraw/zinc/56/99/59/909569959.db2.gz HFRRZGLLIZIPOS-SECBINFHSA-N 1 1 253.306 1.143 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001192391214 923067514 /nfs/dbraw/zinc/06/75/14/923067514.db2.gz QXRJTPCWFAOHPM-VHSXEESVSA-N 1 1 286.282 1.687 10 5 CDBEMO COC1(OC)CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000710948432 923262020 /nfs/dbraw/zinc/26/20/20/923262020.db2.gz RSWZKSZLAUHPLW-GFCCVEGCSA-N 1 1 266.297 1.836 10 5 CDBEMO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001194383920 924198890 /nfs/dbraw/zinc/19/88/90/924198890.db2.gz IIXPQRJQZNPLPV-UFBFGSQYSA-N 1 1 254.261 1.689 10 5 CDBEMO C[C@H]1[C@@H](O)CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001194383920 924198898 /nfs/dbraw/zinc/19/88/98/924198898.db2.gz IIXPQRJQZNPLPV-UFBFGSQYSA-N 1 1 254.261 1.689 10 5 CDBEMO Cc1noc(CO[NH+]=C(N)[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000853731993 928084394 /nfs/dbraw/zinc/08/43/94/928084394.db2.gz UWQHHXUURXOIIB-VDTYLAMSSA-N 1 1 254.246 1.546 10 5 CDBEMO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000858812127 928922402 /nfs/dbraw/zinc/92/24/02/928922402.db2.gz LAPVNRZRBSZTSA-SECBINFHSA-N 1 1 299.302 1.221 10 5 CDBEMO O=C1OC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000860156955 929123187 /nfs/dbraw/zinc/12/31/87/929123187.db2.gz XCKCXNUFHPGDOH-GHMZBOCLSA-N 1 1 262.265 1.200 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)cn1 ZINC001324437988 953389167 /nfs/dbraw/zinc/38/91/67/953389167.db2.gz HBMPSVPGUOLGGB-GFCCVEGCSA-N 1 1 262.313 1.664 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)c1 ZINC001472027852 968245256 /nfs/dbraw/zinc/24/52/56/968245256.db2.gz WSBACJWFZHRAGO-ZDUSSCGKSA-N 1 1 291.351 1.973 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001655117512 1171670498 /nfs/dbraw/zinc/67/04/98/1171670498.db2.gz XYZATNRYTVTBJT-CMPLNLGQSA-N 1 1 298.314 1.157 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000601166581 342485131 /nfs/dbraw/zinc/48/51/31/342485131.db2.gz OOMHSWNEXOSKLN-MRVPVSSYSA-N 1 1 277.259 1.821 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000601166581 342485132 /nfs/dbraw/zinc/48/51/32/342485132.db2.gz OOMHSWNEXOSKLN-MRVPVSSYSA-N 1 1 277.259 1.821 10 5 CDBEMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588010632 342490465 /nfs/dbraw/zinc/49/04/65/342490465.db2.gz XPODZCRBUCQZNW-VHSXEESVSA-N 1 1 294.355 1.198 10 5 CDBEMO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000593727010 342829841 /nfs/dbraw/zinc/82/98/41/342829841.db2.gz AAPPYDAXXASNGW-BFVZDQMLSA-N 1 1 279.340 1.777 10 5 CDBEMO CC[C@H]([NH2+][C@H]1CON(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595421175 343055534 /nfs/dbraw/zinc/05/55/34/343055534.db2.gz UATFBRLEYQXWQN-STQMWFEESA-N 1 1 293.323 1.798 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cs1 ZINC000595608745 343107952 /nfs/dbraw/zinc/10/79/52/343107952.db2.gz VICRPVTYROAPHW-JTQLQIEISA-N 1 1 293.352 1.770 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cs1 ZINC000595608745 343107954 /nfs/dbraw/zinc/10/79/54/343107954.db2.gz VICRPVTYROAPHW-JTQLQIEISA-N 1 1 293.352 1.770 10 5 CDBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595767799 343146305 /nfs/dbraw/zinc/14/63/05/343146305.db2.gz OMQBBWKISGNBKH-SMDDNHRTSA-N 1 1 278.308 1.430 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596308730 343293808 /nfs/dbraw/zinc/29/38/08/343293808.db2.gz MILDEBWASMMZIL-SECBINFHSA-N 1 1 279.344 1.279 10 5 CDBEMO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000598684376 343865099 /nfs/dbraw/zinc/86/50/99/343865099.db2.gz WIDFZLHXKVOVFP-SMDDNHRTSA-N 1 1 277.324 1.614 10 5 CDBEMO O=[N+]([O-])c1cnccc1N1CCC([NH+]2CCOCC2)CC1 ZINC000599106571 343955684 /nfs/dbraw/zinc/95/56/84/343955684.db2.gz VYQBAYUKCNWNFQ-UHFFFAOYSA-N 1 1 292.339 1.291 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000604199753 344865468 /nfs/dbraw/zinc/86/54/68/344865468.db2.gz UXLIDXGZQUWKHX-GFCCVEGCSA-N 1 1 277.324 1.348 10 5 CDBEMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000293444867 362553862 /nfs/dbraw/zinc/55/38/62/362553862.db2.gz OYHSQCZNOGSFPI-BREBYQMCSA-N 1 1 250.298 1.968 10 5 CDBEMO COC[C@H](C)[N@@H+](C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815181 522595027 /nfs/dbraw/zinc/59/50/27/522595027.db2.gz PISYSPJQSHSLSS-VIFPVBQESA-N 1 1 253.302 1.644 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000052555143 346466667 /nfs/dbraw/zinc/46/66/67/346466667.db2.gz YFQYOKLRFQEGPK-GFCCVEGCSA-N 1 1 292.339 1.488 10 5 CDBEMO CC[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@@H]1C ZINC000611242444 346716709 /nfs/dbraw/zinc/71/67/09/346716709.db2.gz AANQJCNGJPBFDJ-JTQLQIEISA-N 1 1 290.327 1.168 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)cc1 ZINC000110460227 186297286 /nfs/dbraw/zinc/29/72/86/186297286.db2.gz VEGQQHRBXMXYNE-UHFFFAOYSA-N 1 1 265.313 1.099 10 5 CDBEMO C[N@H+]1CCO[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000286553037 283030888 /nfs/dbraw/zinc/03/08/88/283030888.db2.gz UHKZDDUQLZSJIS-STQMWFEESA-N 1 1 295.314 1.643 10 5 CDBEMO CN(C)C(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411912564 363374871 /nfs/dbraw/zinc/37/48/71/363374871.db2.gz MBXWWXUTVUZSJK-UHFFFAOYSA-N 1 1 263.297 1.305 10 5 CDBEMO CC[N@@H+]1CCO[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000134431324 356302892 /nfs/dbraw/zinc/30/28/92/356302892.db2.gz BLMMWOHYZFNNQO-JTQLQIEISA-N 1 1 266.301 1.122 10 5 CDBEMO CC[N@H+]1CCO[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000134431324 356302900 /nfs/dbraw/zinc/30/29/00/356302900.db2.gz BLMMWOHYZFNNQO-JTQLQIEISA-N 1 1 266.301 1.122 10 5 CDBEMO CC[N@@H+]1CCO[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000134430985 356303591 /nfs/dbraw/zinc/30/35/91/356303591.db2.gz SHLFXAISSMFSGD-LLVKDONJSA-N 1 1 265.313 1.727 10 5 CDBEMO CC[N@H+]1CCO[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000134430985 356303592 /nfs/dbraw/zinc/30/35/92/356303592.db2.gz SHLFXAISSMFSGD-LLVKDONJSA-N 1 1 265.313 1.727 10 5 CDBEMO C[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408114919 358159211 /nfs/dbraw/zinc/15/92/11/358159211.db2.gz ZWDJTAFPKZCDJQ-JTQLQIEISA-N 1 1 278.312 1.763 10 5 CDBEMO C[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408114919 358159214 /nfs/dbraw/zinc/15/92/14/358159214.db2.gz ZWDJTAFPKZCDJQ-JTQLQIEISA-N 1 1 278.312 1.763 10 5 CDBEMO Nc1ccc([N+](=O)[O-])c(N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000192785755 358235484 /nfs/dbraw/zinc/23/54/84/358235484.db2.gz NKHLBRQKCFIMLG-GFCCVEGCSA-N 1 1 276.340 1.852 10 5 CDBEMO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000420980659 374306631 /nfs/dbraw/zinc/30/66/31/374306631.db2.gz FFEAFSKGTGVDHB-GWCFXTLKSA-N 1 1 277.324 1.866 10 5 CDBEMO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000420980659 374306641 /nfs/dbraw/zinc/30/66/41/374306641.db2.gz FFEAFSKGTGVDHB-GWCFXTLKSA-N 1 1 277.324 1.866 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH2+]C[C@H]1C(F)F ZINC000377555056 374606888 /nfs/dbraw/zinc/60/68/88/374606888.db2.gz QPZZYUXYPPXVCF-LURJTMIESA-N 1 1 291.279 1.335 10 5 CDBEMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000193724276 375896453 /nfs/dbraw/zinc/89/64/53/375896453.db2.gz NJEQRDWAYABCGU-ZDUSSCGKSA-N 1 1 290.323 1.907 10 5 CDBEMO Cc1cnc(N[C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000357579178 375918120 /nfs/dbraw/zinc/91/81/20/375918120.db2.gz IPSXBOMXHRHRGU-VIFPVBQESA-N 1 1 273.296 1.991 10 5 CDBEMO Cc1cnc(N[C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000357579178 375918126 /nfs/dbraw/zinc/91/81/26/375918126.db2.gz IPSXBOMXHRHRGU-VIFPVBQESA-N 1 1 273.296 1.991 10 5 CDBEMO COC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179242001 285245486 /nfs/dbraw/zinc/24/54/86/285245486.db2.gz YJPIRSVGOUTVNB-ZDUSSCGKSA-N 1 1 280.324 1.567 10 5 CDBEMO COc1ccc(OCC[N@@H+](C)CCCO)c([N+](=O)[O-])c1 ZINC000281567486 195291827 /nfs/dbraw/zinc/29/18/27/195291827.db2.gz DDDHCRBMKIHOMG-UHFFFAOYSA-N 1 1 284.312 1.296 10 5 CDBEMO C[C@H]1C[N@H+](CCO)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000450955453 390583026 /nfs/dbraw/zinc/58/30/26/390583026.db2.gz PVQYRMZMJYYNND-JTQLQIEISA-N 1 1 283.303 1.237 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000450955453 390583028 /nfs/dbraw/zinc/58/30/28/390583028.db2.gz PVQYRMZMJYYNND-JTQLQIEISA-N 1 1 283.303 1.237 10 5 CDBEMO CC(C)OC[C@@H](O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000305448500 391353788 /nfs/dbraw/zinc/35/37/88/391353788.db2.gz QLWMKWBSOJOVGG-ZDUSSCGKSA-N 1 1 294.351 1.739 10 5 CDBEMO CC(C)OC[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000305448500 391353791 /nfs/dbraw/zinc/35/37/91/391353791.db2.gz QLWMKWBSOJOVGG-ZDUSSCGKSA-N 1 1 294.351 1.739 10 5 CDBEMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000399324912 391784804 /nfs/dbraw/zinc/78/48/04/391784804.db2.gz WRFXMIPMXDWLOU-ZYHUDNBSSA-N 1 1 250.298 1.940 10 5 CDBEMO Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369410981 392955443 /nfs/dbraw/zinc/95/54/43/392955443.db2.gz YOCJEENYKCBAQG-CYBMUJFWSA-N 1 1 277.324 1.424 10 5 CDBEMO Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000369410981 392955449 /nfs/dbraw/zinc/95/54/49/392955449.db2.gz YOCJEENYKCBAQG-CYBMUJFWSA-N 1 1 277.324 1.424 10 5 CDBEMO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000421007343 397901288 /nfs/dbraw/zinc/90/12/88/397901288.db2.gz XSASVTAOXVOLPL-SNVBAGLBSA-N 1 1 274.342 1.220 10 5 CDBEMO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000421007343 397901289 /nfs/dbraw/zinc/90/12/89/397901289.db2.gz XSASVTAOXVOLPL-SNVBAGLBSA-N 1 1 274.342 1.220 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000040690824 174377426 /nfs/dbraw/zinc/37/74/26/174377426.db2.gz BWQNFRLETZOWRZ-JTQLQIEISA-N 1 1 281.287 1.558 10 5 CDBEMO Cc1ccc(N2CCC[N@@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000071349737 176134147 /nfs/dbraw/zinc/13/41/47/176134147.db2.gz LGSCVJDTHCIBON-UHFFFAOYSA-N 1 1 279.340 1.408 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000266231418 270313326 /nfs/dbraw/zinc/31/33/26/270313326.db2.gz JSHAVPIAZUBGQL-ZJUUUORDSA-N 1 1 294.359 1.134 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C)CC2)n1 ZINC000408172175 280398737 /nfs/dbraw/zinc/39/87/37/280398737.db2.gz STUJONAXWOCQEQ-UHFFFAOYSA-N 1 1 250.302 1.358 10 5 CDBEMO C[N@H+]1CCO[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000285096121 290087189 /nfs/dbraw/zinc/08/71/89/290087189.db2.gz QJGVFKJIMOXXSJ-UONOGXRCSA-N 1 1 295.314 1.643 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCOc1cc([N+](=O)[O-])ccc1C ZINC000062540649 521071675 /nfs/dbraw/zinc/07/16/75/521071675.db2.gz ZKWVSAWQPSTQEY-NSHDSACASA-N 1 1 282.296 1.563 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1ccc(C)cc1[N+](=O)[O-] ZINC000062541867 521258461 /nfs/dbraw/zinc/25/84/61/521258461.db2.gz SXRXKIRIOBUXGS-SNVBAGLBSA-N 1 1 282.296 1.563 10 5 CDBEMO CCNc1ccc(C(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000050786343 520294703 /nfs/dbraw/zinc/29/47/03/520294703.db2.gz GSQCLEAOCLHSLZ-NSHDSACASA-N 1 1 292.339 1.461 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCOc1ccc([N+](=O)[O-])cc1OC ZINC000062595693 521070721 /nfs/dbraw/zinc/07/07/21/521070721.db2.gz XWQCOVOHKYZSFL-JTQLQIEISA-N 1 1 298.295 1.263 10 5 CDBEMO COCC[C@@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052785431 521832502 /nfs/dbraw/zinc/83/25/02/521832502.db2.gz MVZXFHSBXJIKEB-SNVBAGLBSA-N 1 1 278.268 1.681 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCOc1cc([N+](=O)[O-])ccc1C ZINC000062540653 523600977 /nfs/dbraw/zinc/60/09/77/523600977.db2.gz BFMSGVDFNLETEM-JTQLQIEISA-N 1 1 268.269 1.172 10 5 CDBEMO COCC[N@@H+](C)CCNc1cccc([N+](=O)[O-])c1 ZINC000061379605 523615533 /nfs/dbraw/zinc/61/55/33/523615533.db2.gz VMZBJNIZDCDRKU-UHFFFAOYSA-N 1 1 253.302 1.585 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCO)C1CC1 ZINC000183266251 525563305 /nfs/dbraw/zinc/56/33/05/525563305.db2.gz FKHPBRPHXWFQHK-UHFFFAOYSA-N 1 1 250.298 1.860 10 5 CDBEMO O=C1C[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000366122497 527026259 /nfs/dbraw/zinc/02/62/59/527026259.db2.gz IIOAQAGHLNCEES-AWEZNQCLSA-N 1 1 275.308 1.307 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756881674 577012695 /nfs/dbraw/zinc/01/26/95/577012695.db2.gz GTOLNLOFERFBJY-QWRGUYRKSA-N 1 1 266.301 1.250 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756881674 577012696 /nfs/dbraw/zinc/01/26/96/577012696.db2.gz GTOLNLOFERFBJY-QWRGUYRKSA-N 1 1 266.301 1.250 10 5 CDBEMO C[N@H+]1C[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933733416 617598828 /nfs/dbraw/zinc/59/88/28/617598828.db2.gz IWGXFPBONJCLBI-HIFRSBDPSA-N 1 1 275.352 1.978 10 5 CDBEMO COc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000892387998 618117556 /nfs/dbraw/zinc/11/75/56/618117556.db2.gz HOLRQIMYEUKBQG-SNVBAGLBSA-N 1 1 278.312 1.283 10 5 CDBEMO O=C(CC1CCCC1)NC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791052131 618738844 /nfs/dbraw/zinc/73/88/44/618738844.db2.gz LVHVRIMELWFRJD-UHFFFAOYSA-N 1 1 283.372 1.424 10 5 CDBEMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@@]2(C)C1 ZINC000913288048 630436928 /nfs/dbraw/zinc/43/69/28/630436928.db2.gz ARUFDMUOHFJRPV-OKILXGFUSA-N 1 1 292.339 1.337 10 5 CDBEMO CC(C)[N@@H+](C)CCCNc1nn(C)cc1[N+](=O)[O-] ZINC000226429409 1160401318 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CDBEMO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001648324438 1169119494 /nfs/dbraw/zinc/11/94/94/1169119494.db2.gz OJROYAFHSYTLPI-SECBINFHSA-N 1 1 290.327 1.246 10 5 CDBEMO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001648324439 1169120784 /nfs/dbraw/zinc/12/07/84/1169120784.db2.gz OJROYAFHSYTLPI-VIFPVBQESA-N 1 1 290.327 1.246 10 5 CDBEMO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001648324439 1169120788 /nfs/dbraw/zinc/12/07/88/1169120788.db2.gz OJROYAFHSYTLPI-VIFPVBQESA-N 1 1 290.327 1.246 10 5 CDBEMO Cn1c[nH+]c(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)c1 ZINC001652720953 1171468696 /nfs/dbraw/zinc/46/86/96/1171468696.db2.gz VJFFVFJUTXINQP-UHFFFAOYSA-N 1 1 268.660 1.192 10 5 CDBEMO CC(C)(O)[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001654011426 1171583555 /nfs/dbraw/zinc/58/35/55/1171583555.db2.gz OJDJGSUNZLPJFK-AWEZNQCLSA-N 1 1 294.351 1.691 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000124328939 812339615 /nfs/dbraw/zinc/33/96/15/812339615.db2.gz QKMGUEGTHLCSSW-SNVBAGLBSA-N 1 1 295.295 1.707 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000124328939 812339624 /nfs/dbraw/zinc/33/96/24/812339624.db2.gz QKMGUEGTHLCSSW-SNVBAGLBSA-N 1 1 295.295 1.707 10 5 CDBEMO Cn1c(C(=O)OCC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000847827990 812496514 /nfs/dbraw/zinc/49/65/14/812496514.db2.gz JIBMMRNTLPQYJF-SNVBAGLBSA-N 1 1 281.312 1.432 10 5 CDBEMO Cc1noc(C[N@@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)c1[N+](=O)[O-] ZINC000872262695 812742705 /nfs/dbraw/zinc/74/27/05/812742705.db2.gz NTZLDFNZJGJWAR-BIMULSAOSA-N 1 1 295.339 1.873 10 5 CDBEMO Cc1noc(C[N@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)c1[N+](=O)[O-] ZINC000872262695 812742726 /nfs/dbraw/zinc/74/27/26/812742726.db2.gz NTZLDFNZJGJWAR-BIMULSAOSA-N 1 1 295.339 1.873 10 5 CDBEMO COC(=O)[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000094996225 812975385 /nfs/dbraw/zinc/97/53/85/812975385.db2.gz BKUUQOWLHVNJRN-GWCFXTLKSA-N 1 1 278.308 1.836 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000719383096 813447406 /nfs/dbraw/zinc/44/74/06/813447406.db2.gz ZCZPOABHERMJHQ-PELKAZGASA-N 1 1 281.287 1.556 10 5 CDBEMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000712334745 814311628 /nfs/dbraw/zinc/31/16/28/814311628.db2.gz XCPSBVXNZFHPTF-SNVBAGLBSA-N 1 1 281.287 1.558 10 5 CDBEMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000712334745 814311644 /nfs/dbraw/zinc/31/16/44/814311644.db2.gz XCPSBVXNZFHPTF-SNVBAGLBSA-N 1 1 281.287 1.558 10 5 CDBEMO COC1(OC)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000931633460 814750179 /nfs/dbraw/zinc/75/01/79/814750179.db2.gz ILWKVSQYDNRHQF-ZDUSSCGKSA-N 1 1 296.323 1.151 10 5 CDBEMO COC1(OC)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000931633460 814750185 /nfs/dbraw/zinc/75/01/85/814750185.db2.gz ILWKVSQYDNRHQF-ZDUSSCGKSA-N 1 1 296.323 1.151 10 5 CDBEMO COC(=O)CC[N@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929461748 817354855 /nfs/dbraw/zinc/35/48/55/817354855.db2.gz GFKIUSRSGVWLJD-UHFFFAOYSA-N 1 1 266.297 1.328 10 5 CDBEMO COC(=O)CC[N@@H+](CC[N+](=O)[O-])Cc1ccccc1 ZINC000929461748 817354861 /nfs/dbraw/zinc/35/48/61/817354861.db2.gz GFKIUSRSGVWLJD-UHFFFAOYSA-N 1 1 266.297 1.328 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000720470249 817793530 /nfs/dbraw/zinc/79/35/30/817793530.db2.gz FNGCVLCYTANNNB-NXEZZACHSA-N 1 1 297.384 1.320 10 5 CDBEMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)CC[N@H+]1C ZINC000719620814 817947863 /nfs/dbraw/zinc/94/78/63/817947863.db2.gz AMGJSZGIYVQHRB-YUMQZZPRSA-N 1 1 277.284 1.636 10 5 CDBEMO Cc1ccc(N(C)CC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000691344380 914272823 /nfs/dbraw/zinc/27/28/23/914272823.db2.gz UCXJBMRHHHEXKY-UHFFFAOYSA-N 1 1 267.329 1.264 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001177810170 914954303 /nfs/dbraw/zinc/95/43/03/914954303.db2.gz ITTVNUDIRODXFJ-LBPRGKRZSA-N 1 1 299.306 1.469 10 5 CDBEMO Cc1cc(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC001178703507 915599816 /nfs/dbraw/zinc/59/98/16/915599816.db2.gz DAKFHNZNOXMYOF-CYBMUJFWSA-N 1 1 291.351 1.973 10 5 CDBEMO CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001484916352 916256424 /nfs/dbraw/zinc/25/64/24/916256424.db2.gz OXIWQZKPAOMBTN-CHWSQXEVSA-N 1 1 295.383 1.589 10 5 CDBEMO CCc1n[nH]c(C(=O)N2CC[C@H]([N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC001181840463 917414532 /nfs/dbraw/zinc/41/45/32/917414532.db2.gz SMSKBIBSBOZEHM-VIFPVBQESA-N 1 1 295.343 1.047 10 5 CDBEMO CCc1[nH]nc(C(=O)N2CC[C@H]([N@@H+](C)CC)C2)c1[N+](=O)[O-] ZINC001181840463 917414538 /nfs/dbraw/zinc/41/45/38/917414538.db2.gz SMSKBIBSBOZEHM-VIFPVBQESA-N 1 1 295.343 1.047 10 5 CDBEMO CCc1[nH]nc(C(=O)N2CC[C@H]([N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC001181840463 917414545 /nfs/dbraw/zinc/41/45/45/917414545.db2.gz SMSKBIBSBOZEHM-VIFPVBQESA-N 1 1 295.343 1.047 10 5 CDBEMO Cc1nc(N2CCc3cc[nH+]c(N)c3C2)ncc1[N+](=O)[O-] ZINC001187871280 920733434 /nfs/dbraw/zinc/73/34/34/920733434.db2.gz KILIKBDBJJLZLR-UHFFFAOYSA-N 1 1 286.295 1.233 10 5 CDBEMO COC(=O)N(C)CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000852570814 927819585 /nfs/dbraw/zinc/81/95/85/927819585.db2.gz GGCSDMRRGJDQMW-UHFFFAOYSA-N 1 1 295.339 1.767 10 5 CDBEMO CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000784364758 937299690 /nfs/dbraw/zinc/29/96/90/937299690.db2.gz IPNXIOOBYIJUBO-NILFDRSVSA-N 1 1 294.351 1.985 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000930059498 933305828 /nfs/dbraw/zinc/30/58/28/933305828.db2.gz XDPUXEOAEJWAAQ-JTQLQIEISA-N 1 1 265.317 1.069 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000930059498 933305839 /nfs/dbraw/zinc/30/58/39/933305839.db2.gz XDPUXEOAEJWAAQ-JTQLQIEISA-N 1 1 265.317 1.069 10 5 CDBEMO COC(=O)C(C)(C)C[N@@H+](CC[N+](=O)[O-])CC(C)C ZINC000931693646 933610616 /nfs/dbraw/zinc/61/06/16/933610616.db2.gz DOTYMBUSBPKJNJ-UHFFFAOYSA-N 1 1 260.334 1.420 10 5 CDBEMO Cc1nc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC001331908553 957327512 /nfs/dbraw/zinc/32/75/12/957327512.db2.gz WRCREAPLOXWLPH-QWRGUYRKSA-N 1 1 277.328 1.224 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)cs1 ZINC001560231506 960889443 /nfs/dbraw/zinc/88/94/43/960889443.db2.gz VEOGBOVUIDMPTF-QWRGUYRKSA-N 1 1 286.353 1.079 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)cs1 ZINC001560231506 960889455 /nfs/dbraw/zinc/88/94/55/960889455.db2.gz VEOGBOVUIDMPTF-QWRGUYRKSA-N 1 1 286.353 1.079 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)n1 ZINC001652490974 1171441697 /nfs/dbraw/zinc/44/16/97/1171441697.db2.gz FENGHOVNYWMLPA-GFCCVEGCSA-N 1 1 292.339 1.368 10 5 CDBEMO CN(C[C@@H]1CCC[N@H+]1C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601174473 342486594 /nfs/dbraw/zinc/48/65/94/342486594.db2.gz DMKFUOVDFJAVOB-JTQLQIEISA-N 1 1 268.292 1.659 10 5 CDBEMO C[N@@H+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1(C)C ZINC000601186661 342489361 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289.295 1.315 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCCOCC1 ZINC000562143238 293115091 /nfs/dbraw/zinc/11/50/91/293115091.db2.gz SSGMJMXWWFNWCQ-UHFFFAOYSA-N 1 1 295.339 1.738 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCCOCC1 ZINC000562143238 293115094 /nfs/dbraw/zinc/11/50/94/293115094.db2.gz SSGMJMXWWFNWCQ-UHFFFAOYSA-N 1 1 295.339 1.738 10 5 CDBEMO CCNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000050786342 520293366 /nfs/dbraw/zinc/29/33/66/520293366.db2.gz GSQCLEAOCLHSLZ-LLVKDONJSA-N 1 1 292.339 1.461 10 5 CDBEMO O=C(c1csc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000049516041 526907403 /nfs/dbraw/zinc/90/74/03/526907403.db2.gz QPGJKYVXCLBRQM-JTQLQIEISA-N 1 1 281.337 1.577 10 5 CDBEMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000761092462 576547001 /nfs/dbraw/zinc/54/70/01/576547001.db2.gz LFQWOZVUDXQRGF-ZKYQVNSYSA-N 1 1 278.308 1.429 10 5 CDBEMO C[C@H]([NH2+]C/C=C\CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872086191 620667381 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CC[C@H]([NH2+][C@@H]1CON(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595421174 343055133 /nfs/dbraw/zinc/05/51/33/343055133.db2.gz UATFBRLEYQXWQN-QWHCGFSZSA-N 1 1 293.323 1.798 10 5 CDBEMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000595767438 343146139 /nfs/dbraw/zinc/14/61/39/343146139.db2.gz XJBVRGXSQAFYGG-CMPLNLGQSA-N 1 1 280.324 1.949 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000596539894 343346037 /nfs/dbraw/zinc/34/60/37/343346037.db2.gz RQIGAOHMXSGUDG-CYBMUJFWSA-N 1 1 292.339 1.025 10 5 CDBEMO COc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000168316739 342437247 /nfs/dbraw/zinc/43/72/47/342437247.db2.gz JNSQQMMLRBMPRD-LLVKDONJSA-N 1 1 295.339 1.106 10 5 CDBEMO COc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000168317191 342437265 /nfs/dbraw/zinc/43/72/65/342437265.db2.gz JNSQQMMLRBMPRD-NSHDSACASA-N 1 1 295.339 1.106 10 5 CDBEMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000597946933 343676179 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NC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000047264383 348808840 /nfs/dbraw/zinc/80/88/40/348808840.db2.gz WDXKFGJMBZDZNO-UHFFFAOYSA-N 1 1 269.326 1.354 10 5 CDBEMO CC[N@@H+]1CCO[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134431069 356303647 /nfs/dbraw/zinc/30/36/47/356303647.db2.gz FBRPTORXKVMSOJ-NSHDSACASA-N 1 1 283.303 1.867 10 5 CDBEMO CC[N@H+]1CCO[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134431069 356303649 /nfs/dbraw/zinc/30/36/49/356303649.db2.gz FBRPTORXKVMSOJ-NSHDSACASA-N 1 1 283.303 1.867 10 5 CDBEMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000361558012 358319425 /nfs/dbraw/zinc/31/94/25/358319425.db2.gz UOHCFHCXJDVVFQ-BXUZGUMPSA-N 1 1 280.324 1.567 10 5 CDBEMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000339137824 359298911 /nfs/dbraw/zinc/29/89/11/359298911.db2.gz WGPSZMVRXLVQGZ-LBPRGKRZSA-N 1 1 277.324 1.825 10 5 CDBEMO C[NH+](C)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000330755369 203193088 /nfs/dbraw/zinc/19/30/88/203193088.db2.gz 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CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000107892843 276212438 /nfs/dbraw/zinc/21/24/38/276212438.db2.gz WYFWPJDCNYFUHF-LBPRGKRZSA-N 1 1 291.351 1.975 10 5 CDBEMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000135707157 277625387 /nfs/dbraw/zinc/62/53/87/277625387.db2.gz JWGODKUVDZRJPB-ZJUUUORDSA-N 1 1 277.324 1.913 10 5 CDBEMO C[N@H+]1CCO[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000286553033 290114681 /nfs/dbraw/zinc/11/46/81/290114681.db2.gz UHKZDDUQLZSJIS-OLZOCXBDSA-N 1 1 295.314 1.643 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000050792085 522645500 /nfs/dbraw/zinc/64/55/00/522645500.db2.gz RCJSZJZXIQZMIU-JTQLQIEISA-N 1 1 292.339 1.334 10 5 CDBEMO C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000050709102 523987757 /nfs/dbraw/zinc/98/77/57/523987757.db2.gz NFJMCBBVLHZYGG-QMMMGPOBSA-N 1 1 298.730 1.264 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000050791779 527504209 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CDBEMO Cc1ccc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000899910293 622531145 /nfs/dbraw/zinc/53/11/45/622531145.db2.gz DHNGKXOGOFOQSX-FZMZJTMJSA-N 1 1 293.323 1.297 10 5 CDBEMO Cc1ccc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000899910293 622531146 /nfs/dbraw/zinc/53/11/46/622531146.db2.gz DHNGKXOGOFOQSX-FZMZJTMJSA-N 1 1 293.323 1.297 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925396775 630714420 /nfs/dbraw/zinc/71/44/20/630714420.db2.gz NVJQSHKGUFBXKU-SNVBAGLBSA-N 1 1 294.311 1.429 10 5 CDBEMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001641352125 1167098462 /nfs/dbraw/zinc/09/84/62/1167098462.db2.gz VPOURFRTLOPKGV-SNVBAGLBSA-N 1 1 292.339 1.343 10 5 CDBEMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001641352125 1167098466 /nfs/dbraw/zinc/09/84/66/1167098466.db2.gz VPOURFRTLOPKGV-SNVBAGLBSA-N 1 1 292.339 1.343 10 5 CDBEMO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC001647861527 1169069680 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825498778 /nfs/dbraw/zinc/49/87/78/825498778.db2.gz KQMOOQCDYJRIMS-JGVFFNPUSA-N 1 1 252.274 1.200 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860157608 826135127 /nfs/dbraw/zinc/13/51/27/826135127.db2.gz ZVKOWWKXQRHETL-UFGOTCBOSA-N 1 1 276.292 1.761 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000866210249 826158824 /nfs/dbraw/zinc/15/88/24/826158824.db2.gz ZZXLGGJNCCNZGR-IUCAKERBSA-N 1 1 268.342 1.582 10 5 CDBEMO COc1cc(CN[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000922556310 826248818 /nfs/dbraw/zinc/24/88/18/826248818.db2.gz FMFXSVRAZAFVMX-KOLCDFICSA-N 1 1 295.339 1.491 10 5 CDBEMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000922556310 826248830 /nfs/dbraw/zinc/24/88/30/826248830.db2.gz FMFXSVRAZAFVMX-KOLCDFICSA-N 1 1 295.339 1.491 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000789547704 826396528 /nfs/dbraw/zinc/39/65/28/826396528.db2.gz XUQFQSNEHVAFLM-LBPRGKRZSA-N 1 1 266.301 1.251 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000789547704 826396537 /nfs/dbraw/zinc/39/65/37/826396537.db2.gz XUQFQSNEHVAFLM-LBPRGKRZSA-N 1 1 266.301 1.251 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928456820 826853507 /nfs/dbraw/zinc/85/35/07/826853507.db2.gz SKXBSLDBLALBPU-PWSUYJOCSA-N 1 1 277.324 1.346 10 5 CDBEMO C[N@H+](CCOCCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000282535977 827444967 /nfs/dbraw/zinc/44/49/67/827444967.db2.gz QOTUQBZHHKQYIE-UHFFFAOYSA-N 1 1 272.276 1.175 10 5 CDBEMO C[N@@H+](CCOCCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000282535977 827444976 /nfs/dbraw/zinc/44/49/76/827444976.db2.gz QOTUQBZHHKQYIE-UHFFFAOYSA-N 1 1 272.276 1.175 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049096528 827636937 /nfs/dbraw/zinc/63/69/37/827636937.db2.gz DSIUCDDSTFVBOS-JTQLQIEISA-N 1 1 278.312 1.001 10 5 CDBEMO CO[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000784364756 827810304 /nfs/dbraw/zinc/81/03/04/827810304.db2.gz IPNXIOOBYIJUBO-BYCMXARLSA-N 1 1 294.351 1.985 10 5 CDBEMO Cc1cnc(OC[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC001188862402 921210289 /nfs/dbraw/zinc/21/02/89/921210289.db2.gz AWOGFPMYZPPMHO-GFCCVEGCSA-N 1 1 295.339 1.645 10 5 CDBEMO CCC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001123355778 936148573 /nfs/dbraw/zinc/14/85/73/936148573.db2.gz VZWHPJOPWJPBMH-NEPJUHHUSA-N 1 1 272.345 1.849 10 5 CDBEMO CCC[N@H+]1CCCC[C@H]1C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001123355778 936148577 /nfs/dbraw/zinc/14/85/77/936148577.db2.gz VZWHPJOPWJPBMH-NEPJUHHUSA-N 1 1 272.345 1.849 10 5 CDBEMO O=C1OCC[C@]12CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001473899573 970888338 /nfs/dbraw/zinc/88/83/38/970888338.db2.gz PONRHKDVTOZJGI-AWEZNQCLSA-N 1 1 276.292 1.734 10 5 CDBEMO CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001318886892 958291036 /nfs/dbraw/zinc/29/10/36/958291036.db2.gz UYQWXOMRNGYLBD-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO CC(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001322504898 960242038 /nfs/dbraw/zinc/24/20/38/960242038.db2.gz CTILPXJBCDKEGL-VXGBXAGGSA-N 1 1 271.361 1.136 10 5 CDBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1=NOCC1 ZINC001559782132 960816439 /nfs/dbraw/zinc/81/64/39/960816439.db2.gz FRTZFXNIAPIRDO-UHFFFAOYSA-N 1 1 263.297 1.845 10 5 CDBEMO CO[C@](C)(CO)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601187156 342489439 /nfs/dbraw/zinc/48/94/39/342489439.db2.gz PGPGLLWGYHZHOA-AWEZNQCLSA-N 1 1 291.307 1.374 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000601154476 342483631 /nfs/dbraw/zinc/48/36/31/342483631.db2.gz LZGJJZGWINKEIV-UHFFFAOYSA-N 1 1 292.274 1.179 10 5 CDBEMO COc1cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590010426 342519467 /nfs/dbraw/zinc/51/94/67/342519467.db2.gz IZZFDVFNYVREQJ-GXTWGEPZSA-N 1 1 291.351 1.739 10 5 CDBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCC1 ZINC000599260323 343990562 /nfs/dbraw/zinc/99/05/62/343990562.db2.gz YPRKEDWZEFOEOO-CYBMUJFWSA-N 1 1 294.351 1.693 10 5 CDBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC1(O)CCC1 ZINC000599260323 343990565 /nfs/dbraw/zinc/99/05/65/343990565.db2.gz YPRKEDWZEFOEOO-CYBMUJFWSA-N 1 1 294.351 1.693 10 5 CDBEMO Cc1sc(C(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000052191488 342144654 /nfs/dbraw/zinc/14/46/54/342144654.db2.gz YYUZUYMSDNVEPQ-UHFFFAOYSA-N 1 1 294.336 1.900 10 5 CDBEMO C[N@H+]1C[C@@H]2CCCN(c3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000591830127 342648028 /nfs/dbraw/zinc/64/80/28/342648028.db2.gz MGKASBLOECBYBY-CMPLNLGQSA-N 1 1 262.313 1.520 10 5 CDBEMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000593203456 342777961 /nfs/dbraw/zinc/77/79/61/342777961.db2.gz GGIYCMDKINOCPE-UHFFFAOYSA-N 1 1 283.328 1.896 10 5 CDBEMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000593724933 342829222 /nfs/dbraw/zinc/82/92/22/342829222.db2.gz BVLVDUIYKJWHJW-SKDRFNHKSA-N 1 1 265.313 1.470 10 5 CDBEMO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000594400543 342900067 /nfs/dbraw/zinc/90/00/67/342900067.db2.gz FTGZNNUFFSXVRK-JGZJWPJOSA-N 1 1 293.323 1.370 10 5 CDBEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595306007 343031215 /nfs/dbraw/zinc/03/12/15/343031215.db2.gz FXJMVGRIJYMXKB-MWLCHTKSSA-N 1 1 295.314 1.820 10 5 CDBEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000076150230 342319480 /nfs/dbraw/zinc/31/94/80/342319480.db2.gz JLLONIKTCPLJGM-WZRBSPASSA-N 1 1 282.344 1.273 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@](O)(C3CC3)C2)n1 ZINC000595748657 343151781 /nfs/dbraw/zinc/15/17/81/343151781.db2.gz CAIYBPLPUHXVGU-ZDUSSCGKSA-N 1 1 280.328 1.028 10 5 CDBEMO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597945982 343675364 /nfs/dbraw/zinc/67/53/64/343675364.db2.gz LOLQDFCDVINSEQ-LBPRGKRZSA-N 1 1 295.314 1.900 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000599137649 343958998 /nfs/dbraw/zinc/95/89/98/343958998.db2.gz ATQPGCKJHVUPIY-UHFFFAOYSA-N 1 1 288.307 1.459 10 5 CDBEMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645167 344112715 /nfs/dbraw/zinc/11/27/15/344112715.db2.gz PZNCHABJUIKDKT-PHIMTYICSA-N 1 1 293.323 1.169 10 5 CDBEMO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000344094165 362535011 /nfs/dbraw/zinc/53/50/11/362535011.db2.gz GUEBKZRHVOIBBV-STQMWFEESA-N 1 1 280.324 1.485 10 5 CDBEMO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@H+](C)CCO1 ZINC000610909386 346486388 /nfs/dbraw/zinc/48/63/88/346486388.db2.gz FHVFBRWOKLTDTR-ONGXEEELSA-N 1 1 266.301 1.121 10 5 CDBEMO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610909386 346486390 /nfs/dbraw/zinc/48/63/90/346486390.db2.gz FHVFBRWOKLTDTR-ONGXEEELSA-N 1 1 266.301 1.121 10 5 CDBEMO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1F ZINC000611501644 346806284 /nfs/dbraw/zinc/80/62/84/346806284.db2.gz GDVNADRWUVTQQT-ZJUUUORDSA-N 1 1 256.281 1.471 10 5 CDBEMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1F ZINC000611501644 346806286 /nfs/dbraw/zinc/80/62/86/346806286.db2.gz GDVNADRWUVTQQT-ZJUUUORDSA-N 1 1 256.281 1.471 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000136302324 362965011 /nfs/dbraw/zinc/96/50/11/362965011.db2.gz JEYJRUOTMJNMJO-SNVBAGLBSA-N 1 1 293.323 1.745 10 5 CDBEMO COC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000065562238 363316916 /nfs/dbraw/zinc/31/69/16/363316916.db2.gz CRTZLULVRDUXME-NSHDSACASA-N 1 1 297.330 1.891 10 5 CDBEMO CO[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C ZINC000189257649 357989883 /nfs/dbraw/zinc/98/98/83/357989883.db2.gz HQSZOEQJNVXVCL-PWSUYJOCSA-N 1 1 268.317 1.148 10 5 CDBEMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000361556194 358280257 /nfs/dbraw/zinc/28/02/57/358280257.db2.gz FJYJKWBZYKFIGD-SMDDNHRTSA-N 1 1 280.324 1.567 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000194607125 358383640 /nfs/dbraw/zinc/38/36/40/358383640.db2.gz ZEARRWDZWHPSOI-LBPRGKRZSA-N 1 1 289.335 1.823 10 5 CDBEMO CO[C@@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000341567732 358661715 /nfs/dbraw/zinc/66/17/15/358661715.db2.gz RFYGBGFVSNFYLL-LBPRGKRZSA-N 1 1 297.355 1.502 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000104185380 358949952 /nfs/dbraw/zinc/94/99/52/358949952.db2.gz XWVIFALNMXGKGV-LLVKDONJSA-N 1 1 277.324 1.585 10 5 CDBEMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000291393929 358951063 /nfs/dbraw/zinc/95/10/63/358951063.db2.gz BLPRORNPFNDHSQ-LLVKDONJSA-N 1 1 268.317 1.291 10 5 CDBEMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000339473224 359405266 /nfs/dbraw/zinc/40/52/66/359405266.db2.gz JFYLJLLVDFRFTE-UWVGGRQHSA-N 1 1 295.314 1.899 10 5 CDBEMO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000081901519 359439974 /nfs/dbraw/zinc/43/99/74/359439974.db2.gz SZYBBKDZZHNWLD-ZJUUUORDSA-N 1 1 286.353 1.679 10 5 CDBEMO Cc1sc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000408465203 359816290 /nfs/dbraw/zinc/81/62/90/359816290.db2.gz JSHJWZCRANYRAV-KOLCDFICSA-N 1 1 295.364 1.741 10 5 CDBEMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000548113218 360137446 /nfs/dbraw/zinc/13/74/46/360137446.db2.gz INCBAXBYIIOSFP-UHFFFAOYSA-N 1 1 278.312 1.156 10 5 CDBEMO C[C@H]1CC[N@@H+](CC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000514947999 361230021 /nfs/dbraw/zinc/23/00/21/361230021.db2.gz QORWSDJGPUUMQK-NSHDSACASA-N 1 1 277.324 1.553 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCSCC2)n1 ZINC000089983515 367000428 /nfs/dbraw/zinc/00/04/28/367000428.db2.gz ZFKVCWPOZGSMRJ-UHFFFAOYSA-N 1 1 256.331 1.230 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C1 ZINC000330895394 203363180 /nfs/dbraw/zinc/36/31/80/203363180.db2.gz GDXZEYYJOGGTMT-MFKMUULPSA-N 1 1 294.355 1.725 10 5 CDBEMO Cc1nc(NC[C@@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC000295627954 370526819 /nfs/dbraw/zinc/52/68/19/370526819.db2.gz XAZOPKBEUANZAS-VIFPVBQESA-N 1 1 251.290 1.199 10 5 CDBEMO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000377770952 374619216 /nfs/dbraw/zinc/61/92/16/374619216.db2.gz CPGGBEOOYXJNCH-LLVKDONJSA-N 1 1 272.308 1.965 10 5 CDBEMO C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000330453480 374852928 /nfs/dbraw/zinc/85/29/28/374852928.db2.gz LMUNLJHDEBOUIA-LBPRGKRZSA-N 1 1 266.297 1.911 10 5 CDBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000330453480 374852931 /nfs/dbraw/zinc/85/29/31/374852931.db2.gz LMUNLJHDEBOUIA-LBPRGKRZSA-N 1 1 266.297 1.911 10 5 CDBEMO COc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352778372 375538823 /nfs/dbraw/zinc/53/88/23/375538823.db2.gz KAOQVBKRBBJZPX-ONGXEEELSA-N 1 1 266.297 1.559 10 5 CDBEMO CNC(=O)c1ccc(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000140014878 376255352 /nfs/dbraw/zinc/25/53/52/376255352.db2.gz VPPQMCZTEDPHOR-NSHDSACASA-N 1 1 292.339 1.461 10 5 CDBEMO Cn1cc([C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000174846029 379593292 /nfs/dbraw/zinc/59/32/92/379593292.db2.gz UOLYZWFFZLQPBJ-CYBMUJFWSA-N 1 1 290.327 1.362 10 5 CDBEMO Cc1ccnc(N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000246811958 379668390 /nfs/dbraw/zinc/66/83/90/379668390.db2.gz OCLDTEWUPWYRNU-NSHDSACASA-N 1 1 262.313 1.583 10 5 CDBEMO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000450618547 251370696 /nfs/dbraw/zinc/37/06/96/251370696.db2.gz SUEJJURCJRJJIP-AWEZNQCLSA-N 1 1 279.340 1.854 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000450455896 285123422 /nfs/dbraw/zinc/12/34/22/285123422.db2.gz OYQCLPCCXPKHLC-CYBMUJFWSA-N 1 1 292.339 1.291 10 5 CDBEMO O=[N+]([O-])c1cnc(N[C@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000377329478 285182849 /nfs/dbraw/zinc/18/28/49/285182849.db2.gz HMCRCXCUHYCPJP-ZETCQYMHSA-N 1 1 260.257 1.077 10 5 CDBEMO O=[N+]([O-])c1cnc(N[C@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000377329478 285182857 /nfs/dbraw/zinc/18/28/57/285182857.db2.gz HMCRCXCUHYCPJP-ZETCQYMHSA-N 1 1 260.257 1.077 10 5 CDBEMO C[C@H](O)C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282017983 390468242 /nfs/dbraw/zinc/46/82/42/390468242.db2.gz KBVCNFOGSFRZCY-MNOVXSKESA-N 1 1 299.396 1.543 10 5 CDBEMO C[C@@H]1CC(C)(C)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000412036880 391062561 /nfs/dbraw/zinc/06/25/61/391062561.db2.gz HHLAAXPPXYHZNH-PWSUYJOCSA-N 1 1 282.344 1.273 10 5 CDBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408111561 391409409 /nfs/dbraw/zinc/40/94/09/391409409.db2.gz CGYYAHNMQMKSGV-SNVBAGLBSA-N 1 1 263.297 1.371 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408111561 391409412 /nfs/dbraw/zinc/40/94/12/391409412.db2.gz CGYYAHNMQMKSGV-SNVBAGLBSA-N 1 1 263.297 1.371 10 5 CDBEMO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304304823 130071696 /nfs/dbraw/zinc/07/16/96/130071696.db2.gz JLLONIKTCPLJGM-NQBHXWOUSA-N 1 1 282.344 1.273 10 5 CDBEMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408311219 391904313 /nfs/dbraw/zinc/90/43/13/391904313.db2.gz XZINMDRCRWUCOH-NXEZZACHSA-N 1 1 252.318 1.949 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000246219422 392010564 /nfs/dbraw/zinc/01/05/64/392010564.db2.gz YLGKGFFAANZKMI-NSHDSACASA-N 1 1 262.313 1.583 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459644275 392495911 /nfs/dbraw/zinc/49/59/11/392495911.db2.gz DNEIWMLZQDKLDF-FZMZJTMJSA-N 1 1 280.324 1.475 10 5 CDBEMO C[N@H+]1CCO[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000301682462 392852627 /nfs/dbraw/zinc/85/26/27/392852627.db2.gz VTRMZRFGUUETHO-STQMWFEESA-N 1 1 297.742 1.767 10 5 CDBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCO ZINC000281951936 393163461 /nfs/dbraw/zinc/16/34/61/393163461.db2.gz UNHFKOINKYTIIP-JTQLQIEISA-N 1 1 281.312 1.236 10 5 CDBEMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCO ZINC000281951936 393163466 /nfs/dbraw/zinc/16/34/66/393163466.db2.gz UNHFKOINKYTIIP-JTQLQIEISA-N 1 1 281.312 1.236 10 5 CDBEMO Cc1cc(N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000284556292 393193075 /nfs/dbraw/zinc/19/30/75/393193075.db2.gz MZLPARJQPAGQSZ-GJZGRUSLSA-N 1 1 291.351 1.813 10 5 CDBEMO COCC[N@H+]1CCC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000178209870 140000994 /nfs/dbraw/zinc/00/09/94/140000994.db2.gz LCODPLSYVBWNFI-GFCCVEGCSA-N 1 1 294.355 1.821 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000360970511 397906989 /nfs/dbraw/zinc/90/69/89/397906989.db2.gz RGBQQHCOEGXEGE-GFCCVEGCSA-N 1 1 277.324 1.424 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000360970511 397906994 /nfs/dbraw/zinc/90/69/94/397906994.db2.gz RGBQQHCOEGXEGE-GFCCVEGCSA-N 1 1 277.324 1.424 10 5 CDBEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000040691008 174377230 /nfs/dbraw/zinc/37/72/30/174377230.db2.gz CDPMJNQHOMIZKL-NSHDSACASA-N 1 1 295.314 1.948 10 5 CDBEMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(N)c1 ZINC000071193197 176075318 /nfs/dbraw/zinc/07/53/18/176075318.db2.gz QBKAQXMYCQLOOL-JTQLQIEISA-N 1 1 292.339 1.201 10 5 CDBEMO Cc1ccc(N2CC[NH+]([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000301837953 274748684 /nfs/dbraw/zinc/74/86/84/274748684.db2.gz YPIRNRBBVPRXCX-GFCCVEGCSA-N 1 1 279.340 1.406 10 5 CDBEMO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000377569702 280207809 /nfs/dbraw/zinc/20/78/09/280207809.db2.gz WXVAZSCXJNVCDL-LLVKDONJSA-N 1 1 299.277 1.582 10 5 CDBEMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1C ZINC000525029526 281115045 /nfs/dbraw/zinc/11/50/45/281115045.db2.gz HEPLYJAIFZNUNL-WDEREUQCSA-N 1 1 294.355 1.488 10 5 CDBEMO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)C1 ZINC000061711616 520170452 /nfs/dbraw/zinc/17/04/52/520170452.db2.gz BLEZGITWIQDJLL-CYBMUJFWSA-N 1 1 279.340 1.983 10 5 CDBEMO COCC[N@@H+](C)CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000061379482 523612752 /nfs/dbraw/zinc/61/27/52/523612752.db2.gz OPJKJMDZKXWSOU-UHFFFAOYSA-N 1 1 271.292 1.724 10 5 CDBEMO COCC[N@@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000050816136 523750343 /nfs/dbraw/zinc/75/03/43/523750343.db2.gz XZOYDVCEIADZOH-UHFFFAOYSA-N 1 1 265.313 1.788 10 5 CDBEMO CNC(=O)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443690 524080841 /nfs/dbraw/zinc/08/08/41/524080841.db2.gz GXOHMYINVJOYFW-SSDOTTSWSA-N 1 1 271.704 1.472 10 5 CDBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815296 524342326 /nfs/dbraw/zinc/34/23/26/524342326.db2.gz FAIDLXVCSOGION-GXSJLCMTSA-N 1 1 292.339 1.263 10 5 CDBEMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000093342502 1174437343 /nfs/dbraw/zinc/43/73/43/1174437343.db2.gz SDMLCNWMHKJZJN-RNCFNFMXSA-N 1 1 268.288 1.937 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928455030 619119428 /nfs/dbraw/zinc/11/94/28/619119428.db2.gz OQUDMRRDYRRILL-ZWNOBZJWSA-N 1 1 277.324 1.346 10 5 CDBEMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000928455939 619120177 /nfs/dbraw/zinc/12/01/77/619120177.db2.gz QPZTYAPMFZKPJS-ZYHUDNBSSA-N 1 1 277.324 1.726 10 5 CDBEMO CC(=O)c1cc(NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895769769 619836564 /nfs/dbraw/zinc/83/65/64/619836564.db2.gz IGZSKMZVLNYGMP-LLVKDONJSA-N 1 1 263.297 1.913 10 5 CDBEMO CC(=O)c1cc(NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895769769 619836566 /nfs/dbraw/zinc/83/65/66/619836566.db2.gz IGZSKMZVLNYGMP-LLVKDONJSA-N 1 1 263.297 1.913 10 5 CDBEMO O=C(NCC[NH+]1CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001631144107 1166255361 /nfs/dbraw/zinc/25/53/61/1166255361.db2.gz LDZZNHFVNBAIAQ-UHFFFAOYSA-N 1 1 283.715 1.684 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)n1 ZINC001640497568 1167031284 /nfs/dbraw/zinc/03/12/84/1167031284.db2.gz WANGIRQFPCNJJQ-QWRGUYRKSA-N 1 1 280.303 1.531 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)n1 ZINC001640497568 1167031290 /nfs/dbraw/zinc/03/12/90/1167031290.db2.gz WANGIRQFPCNJJQ-QWRGUYRKSA-N 1 1 280.303 1.531 10 5 CDBEMO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000093342502 1174437341 /nfs/dbraw/zinc/43/73/41/1174437341.db2.gz SDMLCNWMHKJZJN-RNCFNFMXSA-N 1 1 268.288 1.937 10 5 CDBEMO CC(C)[N@H+]1CC[C@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC000231667637 1178173132 /nfs/dbraw/zinc/17/31/32/1178173132.db2.gz HIJVLKVTHHGCFX-SNVBAGLBSA-N 1 1 267.333 1.471 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001638382074 1166843163 /nfs/dbraw/zinc/84/31/63/1166843163.db2.gz YFYUFCBHPDVFSZ-UHFFFAOYSA-N 1 1 275.268 1.321 10 5 CDBEMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879362435 832323356 /nfs/dbraw/zinc/32/33/56/832323356.db2.gz FCLMZVBBCULGMB-IINYFYTJSA-N 1 1 298.314 1.299 10 5 CDBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879362435 832323368 /nfs/dbraw/zinc/32/33/68/832323368.db2.gz FCLMZVBBCULGMB-IINYFYTJSA-N 1 1 298.314 1.299 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000928447945 833137240 /nfs/dbraw/zinc/13/72/40/833137240.db2.gz MCPKFORXXGQWQH-CMPLNLGQSA-N 1 1 277.324 1.726 10 5 CDBEMO CCON(C)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000846063671 830065750 /nfs/dbraw/zinc/06/57/50/830065750.db2.gz BWPGINYLXOWOKK-UHFFFAOYSA-N 1 1 267.285 1.094 10 5 CDBEMO Cc1ccc(N2CC[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000829578187 833832054 /nfs/dbraw/zinc/83/20/54/833832054.db2.gz WMLJADJFGXOWKW-GFCCVEGCSA-N 1 1 279.340 1.406 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000930363779 833892265 /nfs/dbraw/zinc/89/22/65/833892265.db2.gz ZMSDOXZJHMAOME-UHFFFAOYSA-N 1 1 285.294 1.754 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000930363779 833892266 /nfs/dbraw/zinc/89/22/66/833892266.db2.gz ZMSDOXZJHMAOME-UHFFFAOYSA-N 1 1 285.294 1.754 10 5 CDBEMO CCc1nn(C)c(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866209417 832714195 /nfs/dbraw/zinc/71/41/95/832714195.db2.gz RXGBBZZURLVBBH-JQWIXIFHSA-N 1 1 293.371 1.421 10 5 CDBEMO COC1(OC)CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000710948434 833960964 /nfs/dbraw/zinc/96/09/64/833960964.db2.gz RSWZKSZLAUHPLW-LBPRGKRZSA-N 1 1 266.297 1.836 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782623173 834192844 /nfs/dbraw/zinc/19/28/44/834192844.db2.gz ZGGNRMYCULHJBS-SCDSUCTJSA-N 1 1 262.309 1.970 10 5 CDBEMO CC(C)[N@@H+](C[C@@H](C)O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581608 834296921 /nfs/dbraw/zinc/29/69/21/834296921.db2.gz FKLNVMYQWKCEEC-BXUZGUMPSA-N 1 1 282.340 1.719 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1F ZINC000852538280 834440302 /nfs/dbraw/zinc/44/03/02/834440302.db2.gz XJZNALNYNUTMNQ-GXFFZTMASA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1F ZINC000852538280 834440341 /nfs/dbraw/zinc/44/03/41/834440341.db2.gz XJZNALNYNUTMNQ-GXFFZTMASA-N 1 1 266.272 1.691 10 5 CDBEMO CON(C)C(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796111635 834873733 /nfs/dbraw/zinc/87/37/33/834873733.db2.gz FMEXKLRSFJRNBZ-UHFFFAOYSA-N 1 1 295.339 1.479 10 5 CDBEMO Cn1cc(C[N@H+]2CCCC[C@]23CCCOC3)c([N+](=O)[O-])n1 ZINC001648659857 1169145936 /nfs/dbraw/zinc/14/59/36/1169145936.db2.gz IETDVYLHNUPOBE-CQSZACIVSA-N 1 1 294.355 1.863 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000161456779 926148012 /nfs/dbraw/zinc/14/80/12/926148012.db2.gz FQUXGDNHNRTLAI-JTQLQIEISA-N 1 1 292.339 1.391 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@H]2C)n1 ZINC000719627496 934856546 /nfs/dbraw/zinc/85/65/46/934856546.db2.gz VNDMXSQWDWNTKR-UWVGGRQHSA-N 1 1 250.302 1.803 10 5 CDBEMO CCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283306725 942874124 /nfs/dbraw/zinc/87/41/24/942874124.db2.gz FWDXYRNUIINBHF-ZIAGYGMSSA-N 1 1 297.399 1.765 10 5 CDBEMO CCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001283306725 942874128 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O=[N+]([O-])c1ccc(N2CC(C[NH+]3CCOCC3)C2)cc1 ZINC000820592196 835767459 /nfs/dbraw/zinc/76/74/59/835767459.db2.gz YDTUUBYQJXSDPQ-UHFFFAOYSA-N 1 1 277.324 1.363 10 5 CDBEMO C[C@@H]1[C@H](COC(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1C ZINC000845813379 837043145 /nfs/dbraw/zinc/04/31/45/837043145.db2.gz BZPWIIUIPXAMHJ-ZJUUUORDSA-N 1 1 281.312 1.430 10 5 CDBEMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000928444777 837073861 /nfs/dbraw/zinc/07/38/61/837073861.db2.gz MIXFBEGJXUMALW-MFKMUULPSA-N 1 1 277.324 1.726 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866204931 840064472 /nfs/dbraw/zinc/06/44/72/840064472.db2.gz HYAOGZCOHYSSMD-YPMHNXCESA-N 1 1 276.340 1.829 10 5 CDBEMO Cc1cnc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000719620807 840122116 /nfs/dbraw/zinc/12/21/16/840122116.db2.gz AMEZQLHDSMRMMB-NXEZZACHSA-N 1 1 250.302 1.803 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866206732 840774151 /nfs/dbraw/zinc/77/41/51/840774151.db2.gz FUHKCIWDXAOEOP-NWDGAFQWSA-N 1 1 293.371 1.650 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000719383013 841277704 /nfs/dbraw/zinc/27/77/04/841277704.db2.gz YFUOGOTZODQCNN-LDYMZIIASA-N 1 1 281.287 1.556 10 5 CDBEMO O=c1ccc([N+](=O)[O-])cn1Cc1[nH+]ccn1CC(F)F ZINC000871631801 841567271 /nfs/dbraw/zinc/56/72/71/841567271.db2.gz YJLVMGHEIROXRJ-UHFFFAOYSA-N 1 1 284.222 1.266 10 5 CDBEMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870784822 841760801 /nfs/dbraw/zinc/76/08/01/841760801.db2.gz KCLNPHQXCYOUCW-NNYUYHANSA-N 1 1 270.329 1.458 10 5 CDBEMO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870784822 841760811 /nfs/dbraw/zinc/76/08/11/841760811.db2.gz KCLNPHQXCYOUCW-NNYUYHANSA-N 1 1 270.329 1.458 10 5 CDBEMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000870784822 841760837 /nfs/dbraw/zinc/76/08/37/841760837.db2.gz KCLNPHQXCYOUCW-NNYUYHANSA-N 1 1 270.329 1.458 10 5 CDBEMO Cc1nn(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000853591590 841896204 /nfs/dbraw/zinc/89/62/04/841896204.db2.gz TVODWHQTGIOFSH-WDEREUQCSA-N 1 1 266.301 1.026 10 5 CDBEMO Cc1nn(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1[N+](=O)[O-] ZINC000853591590 841896205 /nfs/dbraw/zinc/89/62/05/841896205.db2.gz TVODWHQTGIOFSH-WDEREUQCSA-N 1 1 266.301 1.026 10 5 CDBEMO C[C@H](NCC[N@@H+]1CC[C@@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089757 841916125 /nfs/dbraw/zinc/91/61/25/841916125.db2.gz DLOGOQBJFJKHGT-WDEREUQCSA-N 1 1 297.330 1.451 10 5 CDBEMO C[C@H](NCC[N@H+]1CC[C@@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089757 841916139 /nfs/dbraw/zinc/91/61/39/841916139.db2.gz DLOGOQBJFJKHGT-WDEREUQCSA-N 1 1 297.330 1.451 10 5 CDBEMO C[N@@H+](CCO[C@@H]1CCOC1)CCc1ccccc1[N+](=O)[O-] ZINC000930440507 842325631 /nfs/dbraw/zinc/32/56/31/842325631.db2.gz NXHDUYJCIGXAPB-CQSZACIVSA-N 1 1 294.351 1.875 10 5 CDBEMO CC(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001267943738 900017231 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Cc1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001321754273 959933253 /nfs/dbraw/zinc/93/32/53/959933253.db2.gz ZNZWCOOFISXJNH-UHFFFAOYSA-N 1 1 261.241 1.004 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC([NH2+]C3COC3)C2)c(C(F)F)c1 ZINC001559288781 965429010 /nfs/dbraw/zinc/42/90/10/965429010.db2.gz UBAHTLRRTYHCAQ-UHFFFAOYSA-N 1 1 299.277 1.709 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001350499406 966682349 /nfs/dbraw/zinc/68/23/49/966682349.db2.gz FSOZLDLFXJZVQT-UHFFFAOYSA-N 1 1 275.264 1.843 10 5 CDBEMO Cc1[nH]c(C)c(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])[nH+]1 ZINC001459099840 969383386 /nfs/dbraw/zinc/38/33/86/969383386.db2.gz KVUGPTJSEIJIFN-UHFFFAOYSA-N 1 1 266.217 1.088 10 5 CDBEMO Cc1[nH]c(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)[nH+]1 ZINC001459099840 969383389 /nfs/dbraw/zinc/38/33/89/969383389.db2.gz KVUGPTJSEIJIFN-UHFFFAOYSA-N 1 1 266.217 1.088 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3C)CC2)n1 ZINC001650924789 1171270209 /nfs/dbraw/zinc/27/02/09/1171270209.db2.gz PSSSFGGBAMUDED-UHFFFAOYSA-N 1 1 279.344 1.393 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC001655509548 1171700472 /nfs/dbraw/zinc/70/04/72/1171700472.db2.gz PMNKDMONVJOAKH-ZDUSSCGKSA-N 1 1 279.344 1.250 10 5 CDBEMO CN1CC[NH+](CCCNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601100799 342464014 /nfs/dbraw/zinc/46/40/14/342464014.db2.gz HVORZIZECFMVGN-UHFFFAOYSA-N 1 1 297.334 1.178 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000401251196 342484272 /nfs/dbraw/zinc/48/42/72/342484272.db2.gz CRUXLNYYZRJOJO-SECBINFHSA-N 1 1 266.276 1.778 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590011703 342519783 /nfs/dbraw/zinc/51/97/83/342519783.db2.gz MNKKCVQBVQMIJE-TZMCWYRMSA-N 1 1 261.325 1.731 10 5 CDBEMO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590446116 342546545 /nfs/dbraw/zinc/54/65/45/342546545.db2.gz RWVPHLLJZBTGIR-TVQRCGJNSA-N 1 1 291.307 1.077 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590446116 342546546 /nfs/dbraw/zinc/54/65/46/342546546.db2.gz RWVPHLLJZBTGIR-TVQRCGJNSA-N 1 1 291.307 1.077 10 5 CDBEMO [NH3+][C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725594 342829186 /nfs/dbraw/zinc/82/91/86/342829186.db2.gz SFKJWPQPEBFNGZ-JTQLQIEISA-N 1 1 251.286 1.224 10 5 CDBEMO CCCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000593725001 342829371 /nfs/dbraw/zinc/82/93/71/342829371.db2.gz DRHKMPMNBAOFRY-GFCCVEGCSA-N 1 1 279.340 1.874 10 5 CDBEMO CC(C)[C@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000600712856 342243815 /nfs/dbraw/zinc/24/38/15/342243815.db2.gz BOJCFFLBPMZBLS-CQSZACIVSA-N 1 1 279.340 1.730 10 5 CDBEMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000534293511 282179624 /nfs/dbraw/zinc/17/96/24/282179624.db2.gz NLMHJDZXUDABGF-QWRGUYRKSA-N 1 1 292.339 1.545 10 5 CDBEMO Cc1noc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000595318602 343034360 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CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CCCF)CC1 ZINC000599094586 343953113 /nfs/dbraw/zinc/95/31/13/343953113.db2.gz WGBZYGBAQHXBOZ-UHFFFAOYSA-N 1 1 299.350 1.601 10 5 CDBEMO COc1cc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599654785 344105242 /nfs/dbraw/zinc/10/52/42/344105242.db2.gz ILQDQTUBAVSPJV-TXEJJXNPSA-N 1 1 280.324 1.806 10 5 CDBEMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599682017 344118209 /nfs/dbraw/zinc/11/82/09/344118209.db2.gz VCXTZIXMBKGBMK-NILFDRSVSA-N 1 1 292.335 1.819 10 5 CDBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn(C)nn1 ZINC000615727320 348653152 /nfs/dbraw/zinc/65/31/52/348653152.db2.gz IYLQYSPOZODTPF-IZZDOVSWSA-N 1 1 287.323 1.916 10 5 CDBEMO COC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000107824072 186194361 /nfs/dbraw/zinc/19/43/61/186194361.db2.gz ZSTPKWHUTFMTAO-LBPRGKRZSA-N 1 1 278.308 1.898 10 5 CDBEMO C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176219792 358741454 /nfs/dbraw/zinc/74/14/54/358741454.db2.gz ZLDUEHSRJQVIBO-LLVKDONJSA-N 1 1 252.318 1.913 10 5 CDBEMO Cc1nc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297108886 200088053 /nfs/dbraw/zinc/08/80/53/200088053.db2.gz LQYZIFDSCJAHLE-KOLCDFICSA-N 1 1 279.344 1.612 10 5 CDBEMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000408359170 360704373 /nfs/dbraw/zinc/70/43/73/360704373.db2.gz SMIAGWHUYZFEIK-SNVBAGLBSA-N 1 1 295.343 1.039 10 5 CDBEMO Cc1[nH]nc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000408359170 360704387 /nfs/dbraw/zinc/70/43/87/360704387.db2.gz SMIAGWHUYZFEIK-SNVBAGLBSA-N 1 1 295.343 1.039 10 5 CDBEMO Cc1[nH]nc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000408359170 360704391 /nfs/dbraw/zinc/70/43/91/360704391.db2.gz SMIAGWHUYZFEIK-SNVBAGLBSA-N 1 1 295.343 1.039 10 5 CDBEMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302069315 201330277 /nfs/dbraw/zinc/33/02/77/201330277.db2.gz VECGWQBGIDQJHS-ZDUSSCGKSA-N 1 1 293.367 1.865 10 5 CDBEMO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000311952026 374271601 /nfs/dbraw/zinc/27/16/01/374271601.db2.gz LRYKOVAHKGIFAC-STQMWFEESA-N 1 1 266.297 1.176 10 5 CDBEMO CN(CCC[NH+]1CCN(C)CC1)c1ccncc1[N+](=O)[O-] ZINC000347299187 375438821 /nfs/dbraw/zinc/43/88/21/375438821.db2.gz YRMIERQYALOIHH-UHFFFAOYSA-N 1 1 293.371 1.064 10 5 CDBEMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171584563 376834328 /nfs/dbraw/zinc/83/43/28/376834328.db2.gz OVPSGDHZUIVYDH-CQSZACIVSA-N 1 1 289.335 1.444 10 5 CDBEMO O=C1C[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CN1 ZINC000278808927 194162583 /nfs/dbraw/zinc/16/25/83/194162583.db2.gz GNANYZSZLQKMTF-AWEZNQCLSA-N 1 1 293.298 1.446 10 5 CDBEMO O=C1C[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)CN1 ZINC000278808929 194163632 /nfs/dbraw/zinc/16/36/32/194163632.db2.gz GNANYZSZLQKMTF-CQSZACIVSA-N 1 1 293.298 1.446 10 5 CDBEMO C[C@H](O)C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190883598 379241368 /nfs/dbraw/zinc/24/13/68/379241368.db2.gz ZQEJMMSRRQWGKN-IUCAKERBSA-N 1 1 274.342 1.220 10 5 CDBEMO C[C@H](O)C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190883598 379241378 /nfs/dbraw/zinc/24/13/78/379241378.db2.gz ZQEJMMSRRQWGKN-IUCAKERBSA-N 1 1 274.342 1.220 10 5 CDBEMO CCC[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450693043 251404659 /nfs/dbraw/zinc/40/46/59/251404659.db2.gz LSJYYXNYLVNSEA-GFCCVEGCSA-N 1 1 265.313 1.509 10 5 CDBEMO CCC[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000450693043 251404662 /nfs/dbraw/zinc/40/46/62/251404662.db2.gz LSJYYXNYLVNSEA-GFCCVEGCSA-N 1 1 265.313 1.509 10 5 CDBEMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000186781042 391052168 /nfs/dbraw/zinc/05/21/68/391052168.db2.gz IXSMYJXIAGTGNQ-UHFFFAOYSA-N 1 1 250.298 1.799 10 5 CDBEMO Cc1ccnc(N2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000172277530 391966521 /nfs/dbraw/zinc/96/65/21/391966521.db2.gz OCLDTEWUPWYRNU-LLVKDONJSA-N 1 1 262.313 1.583 10 5 CDBEMO CCNC(=O)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000459616570 392492506 /nfs/dbraw/zinc/49/25/06/392492506.db2.gz ZDASEIMJUNCTFJ-UHFFFAOYSA-N 1 1 277.324 1.471 10 5 CDBEMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425353377 393020458 /nfs/dbraw/zinc/02/04/58/393020458.db2.gz IUXUVVNKDXZSRY-NSHDSACASA-N 1 1 273.296 1.702 10 5 CDBEMO C[C@@H](O)C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282017978 393166679 /nfs/dbraw/zinc/16/66/79/393166679.db2.gz KBVCNFOGSFRZCY-GHMZBOCLSA-N 1 1 299.396 1.543 10 5 CDBEMO C[C@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000408472956 397608323 /nfs/dbraw/zinc/60/83/23/397608323.db2.gz XYGLUDFCDCTBIF-QMMMGPOBSA-N 1 1 254.265 1.269 10 5 CDBEMO C[C@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000408472956 397608325 /nfs/dbraw/zinc/60/83/25/397608325.db2.gz XYGLUDFCDCTBIF-QMMMGPOBSA-N 1 1 254.265 1.269 10 5 CDBEMO NC(=O)C[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000339134982 151762333 /nfs/dbraw/zinc/76/23/33/151762333.db2.gz BWHBRMQLPYGTTA-AWEZNQCLSA-N 1 1 291.351 1.867 10 5 CDBEMO Cc1cc(N2CC[N@H+]3CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000173913294 413323101 /nfs/dbraw/zinc/32/31/01/413323101.db2.gz JOVVPWSDBGNOJJ-LLVKDONJSA-N 1 1 262.313 1.583 10 5 CDBEMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000036794192 287045188 /nfs/dbraw/zinc/04/51/88/287045188.db2.gz KQONVOAXBVJCRZ-ZJUUUORDSA-N 1 1 265.313 1.722 10 5 CDBEMO CO[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000285359503 196260174 /nfs/dbraw/zinc/26/01/74/196260174.db2.gz LTTUEOKCKQFIEZ-MJBXVCDLSA-N 1 1 280.324 1.737 10 5 CDBEMO CC[N@@H+]1CCC[C@@H](NCc2ccc([N+](=O)[O-])o2)C1 ZINC000040502790 174298994 /nfs/dbraw/zinc/29/89/94/174298994.db2.gz FOLSDWWNJDIMBQ-SNVBAGLBSA-N 1 1 253.302 1.762 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NCc2ccc([N+](=O)[O-])o2)C1 ZINC000040502790 174298995 /nfs/dbraw/zinc/29/89/95/174298995.db2.gz FOLSDWWNJDIMBQ-SNVBAGLBSA-N 1 1 253.302 1.762 10 5 CDBEMO C[N@H+]1CCC[C@H](CNCc2ccc([N+](=O)[O-])o2)C1 ZINC000044533139 175196957 /nfs/dbraw/zinc/19/69/57/175196957.db2.gz SNNUADPBEKDSAO-SNVBAGLBSA-N 1 1 253.302 1.619 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000181047072 276167117 /nfs/dbraw/zinc/16/71/17/276167117.db2.gz NEHGPZNGRBXWHS-SNVBAGLBSA-N 1 1 292.339 1.391 10 5 CDBEMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000408112755 280207190 /nfs/dbraw/zinc/20/71/90/280207190.db2.gz NKMIIXGZZBDNKY-JTQLQIEISA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000408112755 280207193 /nfs/dbraw/zinc/20/71/93/280207193.db2.gz NKMIIXGZZBDNKY-JTQLQIEISA-N 1 1 277.324 1.679 10 5 CDBEMO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000050393742 290046146 /nfs/dbraw/zinc/04/61/46/290046146.db2.gz OLTWIMMVGSZHTC-ONGXEEELSA-N 1 1 263.297 1.524 10 5 CDBEMO COCC[C@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052785432 521950594 /nfs/dbraw/zinc/95/05/94/521950594.db2.gz ARXZTBRPTSDVLP-JTQLQIEISA-N 1 1 278.268 1.681 10 5 CDBEMO COC(=O)[C@](C)([NH3+])C[C@@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000068650869 524002197 /nfs/dbraw/zinc/00/21/97/524002197.db2.gz OLRXCNYQQHPLOR-NOZJJQNGSA-N 1 1 282.296 1.643 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)CC1 ZINC000183330301 525562519 /nfs/dbraw/zinc/56/25/19/525562519.db2.gz DKXXSKLBNBTITC-UHFFFAOYSA-N 1 1 263.297 1.225 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)CC1 ZINC000183330301 525562513 /nfs/dbraw/zinc/56/25/13/525562513.db2.gz DKXXSKLBNBTITC-UHFFFAOYSA-N 1 1 263.297 1.225 10 5 CDBEMO Cn1cc[nH+]c1CCNc1ccc([N+](=O)[O-])cc1N ZINC000052841393 527429172 /nfs/dbraw/zinc/42/91/72/527429172.db2.gz WMBCJGZERLOKGR-UHFFFAOYSA-N 1 1 261.285 1.565 10 5 CDBEMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000401857617 545498979 /nfs/dbraw/zinc/49/89/79/545498979.db2.gz XVXZTKFDFQKWNZ-GXFFZTMASA-N 1 1 250.298 1.798 10 5 CDBEMO C[C@H]1[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000928430206 619006172 /nfs/dbraw/zinc/00/61/72/619006172.db2.gz FQOLCJNCDDOKBL-JOYOIKCWSA-N 1 1 295.314 1.485 10 5 CDBEMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928437859 619080044 /nfs/dbraw/zinc/08/00/44/619080044.db2.gz JCDJEDCRGMLLNM-MFKMUULPSA-N 1 1 291.351 1.980 10 5 CDBEMO C[C@@H]1[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000905649101 626898975 /nfs/dbraw/zinc/89/89/75/626898975.db2.gz MDLOGKLPIDFPQN-SKDRFNHKSA-N 1 1 294.380 1.974 10 5 CDBEMO O=C1OC[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]12 ZINC001647942557 1169083033 /nfs/dbraw/zinc/08/30/33/1169083033.db2.gz KDSISBPPBSHKAX-ONGXEEELSA-N 1 1 280.255 1.339 10 5 CDBEMO O=C1OC[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]12 ZINC001647942557 1169083043 /nfs/dbraw/zinc/08/30/43/1169083043.db2.gz KDSISBPPBSHKAX-ONGXEEELSA-N 1 1 280.255 1.339 10 5 CDBEMO CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001717639604 1180768685 /nfs/dbraw/zinc/76/86/85/1180768685.db2.gz UCZUMYNFXIKFJP-AAVRWANBSA-N 1 1 297.399 1.572 10 5 CDBEMO CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001733716796 1183506497 /nfs/dbraw/zinc/50/64/97/1183506497.db2.gz PJHHIJRVXBHIRB-VXGBXAGGSA-N 1 1 297.399 1.716 10 5 CDBEMO CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001734268632 1183708805 /nfs/dbraw/zinc/70/88/05/1183708805.db2.gz VOQKKNKESZOUPQ-CHWSQXEVSA-N 1 1 283.372 1.375 10 5 CDBEMO CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001734268632 1183708806 /nfs/dbraw/zinc/70/88/06/1183708806.db2.gz VOQKKNKESZOUPQ-CHWSQXEVSA-N 1 1 283.372 1.375 10 5 CDBEMO CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001734268632 1183708809 /nfs/dbraw/zinc/70/88/09/1183708809.db2.gz VOQKKNKESZOUPQ-CHWSQXEVSA-N 1 1 283.372 1.375 10 5 CDBEMO C[C@]12COC[C@H]1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852533809 844553474 /nfs/dbraw/zinc/55/34/74/844553474.db2.gz DMSRPIRWLNGREJ-SNPRPXQTSA-N 1 1 292.335 1.597 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782621683 844594473 /nfs/dbraw/zinc/59/44/73/844594473.db2.gz NQZGZIYBISBAJC-GXFFZTMASA-N 1 1 266.272 1.548 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782621683 844594480 /nfs/dbraw/zinc/59/44/80/844594480.db2.gz NQZGZIYBISBAJC-GXFFZTMASA-N 1 1 266.272 1.548 10 5 CDBEMO Cc1ccc([C@@H](C)[NH2+][C@@H]2CNOC2)cc1[N+](=O)[O-] ZINC000925864170 843053765 /nfs/dbraw/zinc/05/37/65/843053765.db2.gz IOGCZDFOCMJGLA-MWLCHTKSSA-N 1 1 251.286 1.457 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000852667249 845822302 /nfs/dbraw/zinc/82/23/02/845822302.db2.gz ZBLIOAYPAOIUHQ-UMVBOHGHSA-N 1 1 292.335 1.597 10 5 CDBEMO C[N@H+]1CC[C@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000712557330 845864718 /nfs/dbraw/zinc/86/47/18/845864718.db2.gz MZDJGIZTXRMYEC-JTQLQIEISA-N 1 1 272.308 1.681 10 5 CDBEMO C[C@H](N)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841076696 846053348 /nfs/dbraw/zinc/05/33/48/846053348.db2.gz MKSVFXXJFIMRCC-RYUDHWBXSA-N 1 1 292.383 1.889 10 5 CDBEMO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000931036989 847000794 /nfs/dbraw/zinc/00/07/94/847000794.db2.gz JSDJQXVRNXVRLJ-GWCFXTLKSA-N 1 1 279.340 1.825 10 5 CDBEMO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CNOC2)cc1[N+](=O)[O-] ZINC000925866763 848007443 /nfs/dbraw/zinc/00/74/43/848007443.db2.gz LEFOQXQMNKOUFR-MWLCHTKSSA-N 1 1 281.312 1.548 10 5 CDBEMO CC/C=C\CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266273327 894035490 /nfs/dbraw/zinc/03/54/90/894035490.db2.gz PQPSEXRHYPKZIJ-XLMCQVRKSA-N 1 1 269.345 1.056 10 5 CDBEMO CC/C=C\CC[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266273327 894035498 /nfs/dbraw/zinc/03/54/98/894035498.db2.gz PQPSEXRHYPKZIJ-XLMCQVRKSA-N 1 1 269.345 1.056 10 5 CDBEMO CC/C=C\CC[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266273327 894035519 /nfs/dbraw/zinc/03/55/19/894035519.db2.gz PQPSEXRHYPKZIJ-XLMCQVRKSA-N 1 1 269.345 1.056 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176778225 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268.288 1.937 10 5 CDBEMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000690251044 910001080 /nfs/dbraw/zinc/00/10/80/910001080.db2.gz VWJRBIINBFUWHV-ZDUSSCGKSA-N 1 1 268.288 1.937 10 5 CDBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001648633878 1169144365 /nfs/dbraw/zinc/14/43/65/1169144365.db2.gz ALMRCSABTSEEBB-MNOVXSKESA-N 1 1 298.314 1.157 10 5 CDBEMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001648633878 1169144369 /nfs/dbraw/zinc/14/43/69/1169144369.db2.gz ALMRCSABTSEEBB-MNOVXSKESA-N 1 1 298.314 1.157 10 5 CDBEMO CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001484634151 915964002 /nfs/dbraw/zinc/96/40/02/915964002.db2.gz HQUHVBQOEWZCHH-CHWSQXEVSA-N 1 1 297.399 1.716 10 5 CDBEMO CCc1n[nH]c(C(=O)N2CC[C@@H]([N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC001181840461 917414991 /nfs/dbraw/zinc/41/49/91/917414991.db2.gz SMSKBIBSBOZEHM-SECBINFHSA-N 1 1 295.343 1.047 10 5 CDBEMO CCc1[nH]nc(C(=O)N2CC[C@@H]([N@@H+](C)CC)C2)c1[N+](=O)[O-] 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CCN(CC)[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819062572 930759931 /nfs/dbraw/zinc/75/99/31/930759931.db2.gz ROJSXTMMXDIEDD-DOMZBBRYSA-N 1 1 295.383 1.948 10 5 CDBEMO CCON(C)C(=O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000846062293 931971834 /nfs/dbraw/zinc/97/18/34/931971834.db2.gz CWZJDNRWNGEVCE-UHFFFAOYSA-N 1 1 297.311 1.103 10 5 CDBEMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000928445180 933147171 /nfs/dbraw/zinc/14/71/71/933147171.db2.gz OZWLFQIMOJGFBB-CABZTGNLSA-N 1 1 293.323 1.426 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C ZINC000928459023 933148591 /nfs/dbraw/zinc/14/85/91/933148591.db2.gz ZRVKQBCOHYHYCQ-YUMQZZPRSA-N 1 1 253.258 1.010 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000931466056 933568677 /nfs/dbraw/zinc/56/86/77/933568677.db2.gz BWCIWRXKDFYQBZ-QWHCGFSZSA-N 1 1 250.298 1.461 10 5 CDBEMO C[N@@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000687591784 934332141 /nfs/dbraw/zinc/33/21/41/934332141.db2.gz OVPXLERYZLJCLY-JTQLQIEISA-N 1 1 285.731 1.361 10 5 CDBEMO C[N@H+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000687591784 934332147 /nfs/dbraw/zinc/33/21/47/934332147.db2.gz OVPXLERYZLJCLY-JTQLQIEISA-N 1 1 285.731 1.361 10 5 CDBEMO CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001263832680 943994488 /nfs/dbraw/zinc/99/44/88/943994488.db2.gz VQRWYTLKQIZSFE-XJFOESAGSA-N 1 1 297.399 1.572 10 5 CDBEMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001296126180 954813820 /nfs/dbraw/zinc/81/38/20/954813820.db2.gz GCZZRWAZAHSPBN-LLVKDONJSA-N 1 1 292.339 1.592 10 5 CDBEMO C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC001544079306 967336722 /nfs/dbraw/zinc/33/67/22/967336722.db2.gz LTNSRCAIKQXIID-NXEZZACHSA-N 1 1 295.343 1.311 10 5 CDBEMO C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001544079306 967336729 /nfs/dbraw/zinc/33/67/29/967336729.db2.gz LTNSRCAIKQXIID-NXEZZACHSA-N 1 1 295.343 1.311 10 5 CDBEMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1C ZINC001300086113 967419912 /nfs/dbraw/zinc/41/99/12/967419912.db2.gz PSWMKWZNHFJGIJ-AOOOYVTPSA-N 1 1 280.328 1.478 10 5 CDBEMO C[C@H]1[C@@H](O)CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001654759831 1171636854 /nfs/dbraw/zinc/63/68/54/1171636854.db2.gz QJLQREUZNGJHJU-BPNCWPANSA-N 1 1 280.324 1.473 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CCOC2)c1 ZINC000589498074 342508064 /nfs/dbraw/zinc/50/80/64/342508064.db2.gz BGEOEKZYPUDHPP-LBPRGKRZSA-N 1 1 294.307 1.602 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CCOC2)c1 ZINC000589498074 342508065 /nfs/dbraw/zinc/50/80/65/342508065.db2.gz BGEOEKZYPUDHPP-LBPRGKRZSA-N 1 1 294.307 1.602 10 5 CDBEMO CC1(C(N)=O)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592518553 342701407 /nfs/dbraw/zinc/70/14/07/342701407.db2.gz ZYMZBRYGJVQTFO-XQRVVYSFSA-N 1 1 275.308 1.415 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C(C)(C)CO)c1 ZINC000593013062 342757271 /nfs/dbraw/zinc/75/72/71/342757271.db2.gz AMOYATIRRPQAKJ-UHFFFAOYSA-N 1 1 296.323 1.584 10 5 CDBEMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000593061583 342761136 /nfs/dbraw/zinc/76/11/36/342761136.db2.gz TUWSKIWGUJHDRM-QWHCGFSZSA-N 1 1 266.297 1.176 10 5 CDBEMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000593210511 342778140 /nfs/dbraw/zinc/77/81/40/342778140.db2.gz JVZRIUPHZKTKEH-UHFFFAOYSA-N 1 1 296.371 1.641 10 5 CDBEMO C[NH2+][C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725151 342829337 /nfs/dbraw/zinc/82/93/37/342829337.db2.gz FNVMJBDJFVTSFG-JTQLQIEISA-N 1 1 251.286 1.094 10 5 CDBEMO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000593727011 342829726 /nfs/dbraw/zinc/82/97/26/342829726.db2.gz AAPPYDAXXASNGW-GPCCPHFNSA-N 1 1 279.340 1.777 10 5 CDBEMO C[C@H]1[NH2+]CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000593727461 342829802 /nfs/dbraw/zinc/82/98/02/342829802.db2.gz LJLUKNJDSMZGLT-NXEZZACHSA-N 1 1 265.313 1.483 10 5 CDBEMO COc1c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000619434949 349708144 /nfs/dbraw/zinc/70/81/44/349708144.db2.gz TWYABMZRGMUKGC-SNVBAGLBSA-N 1 1 293.323 1.427 10 5 CDBEMO Cc1noc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595349110 343045749 /nfs/dbraw/zinc/04/57/49/343045749.db2.gz YJXDZRRUWZKCLK-KOLCDFICSA-N 1 1 282.344 1.806 10 5 CDBEMO O=[N+]([O-])c1cnccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537447 343345638 /nfs/dbraw/zinc/34/56/38/343345638.db2.gz GKRUICBXAXCNBG-GFCCVEGCSA-N 1 1 292.339 1.025 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597577916 343576277 /nfs/dbraw/zinc/57/62/77/343576277.db2.gz HTJUCNVESSTOBT-MWLCHTKSSA-N 1 1 296.302 1.181 10 5 CDBEMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643694 344112430 /nfs/dbraw/zinc/11/24/30/344112430.db2.gz DNEYACIGVCYCMN-JGZJWPJOSA-N 1 1 281.287 1.430 10 5 CDBEMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643694 344112432 /nfs/dbraw/zinc/11/24/32/344112432.db2.gz DNEYACIGVCYCMN-JGZJWPJOSA-N 1 1 281.287 1.430 10 5 CDBEMO COC[C@@]1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599695927 344131766 /nfs/dbraw/zinc/13/17/66/344131766.db2.gz ZETKPISPZVQYNI-OAHLLOKOSA-N 1 1 294.351 1.875 10 5 CDBEMO COC[C@@]1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599695927 344131770 /nfs/dbraw/zinc/13/17/70/344131770.db2.gz ZETKPISPZVQYNI-OAHLLOKOSA-N 1 1 294.351 1.875 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000604476294 344894188 /nfs/dbraw/zinc/89/41/88/344894188.db2.gz KEBDFXCUHSVCOT-GFCCVEGCSA-N 1 1 292.339 1.488 10 5 CDBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344254679 362561039 /nfs/dbraw/zinc/56/10/39/362561039.db2.gz FKTVTROXMRRRKW-JTQLQIEISA-N 1 1 295.314 1.806 10 5 CDBEMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297489 362649395 /nfs/dbraw/zinc/64/93/95/362649395.db2.gz PIKSMSGBJJAMIC-NSHDSACASA-N 1 1 250.302 1.886 10 5 CDBEMO COCC[N@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610575579 346316366 /nfs/dbraw/zinc/31/63/66/346316366.db2.gz FWFIYKOXSKOVDK-UHFFFAOYSA-N 1 1 280.328 1.148 10 5 CDBEMO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1F ZINC000611502265 346806167 /nfs/dbraw/zinc/80/61/67/346806167.db2.gz QMDFSYRJKFVZPS-ZYHUDNBSSA-N 1 1 283.303 1.436 10 5 CDBEMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1F ZINC000611502265 346806170 /nfs/dbraw/zinc/80/61/70/346806170.db2.gz QMDFSYRJKFVZPS-ZYHUDNBSSA-N 1 1 283.303 1.436 10 5 CDBEMO CC[C@H]1CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292411278 198278961 /nfs/dbraw/zinc/27/89/61/198278961.db2.gz MBKLXZNAXPULFX-RYUDHWBXSA-N 1 1 280.324 1.819 10 5 CDBEMO CC[N@H+]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000389202550 356857266 /nfs/dbraw/zinc/85/72/66/356857266.db2.gz YZIPSEZHMPJODE-SNVBAGLBSA-N 1 1 250.302 1.804 10 5 CDBEMO CC(C)C[N@H+]1CC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000361056503 357787057 /nfs/dbraw/zinc/78/70/57/357787057.db2.gz IHZGOVOKXXTIPF-LBPRGKRZSA-N 1 1 278.356 1.802 10 5 CDBEMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361576441 358327068 /nfs/dbraw/zinc/32/70/68/358327068.db2.gz HQZDSFFWVSPFFU-GFCCVEGCSA-N 1 1 293.323 1.305 10 5 CDBEMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361576441 358327069 /nfs/dbraw/zinc/32/70/69/358327069.db2.gz HQZDSFFWVSPFFU-GFCCVEGCSA-N 1 1 293.323 1.305 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1cccnc1)CC2 ZINC000347787008 359647000 /nfs/dbraw/zinc/64/70/00/359647000.db2.gz FYMGCWAJYOQLDT-UHFFFAOYSA-N 1 1 284.319 1.986 10 5 CDBEMO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000367288159 361263927 /nfs/dbraw/zinc/26/39/27/361263927.db2.gz VCEZJDRCWGBMPR-NSHDSACASA-N 1 1 299.277 1.582 10 5 CDBEMO C[N@@H+](CCCCO)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276688538 365042296 /nfs/dbraw/zinc/04/22/96/365042296.db2.gz RQZJDLFNJOFCNJ-UHFFFAOYSA-N 1 1 296.323 1.666 10 5 CDBEMO O=[N+]([O-])c1ccc(OC2C[NH+]([C@H]3CCCC[C@H]3O)C2)cc1 ZINC000193110113 373655356 /nfs/dbraw/zinc/65/53/56/373655356.db2.gz QTDJZEFYOZAUSQ-LSDHHAIUSA-N 1 1 292.335 1.961 10 5 CDBEMO C[C@H]1CCOCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000378457822 374645367 /nfs/dbraw/zinc/64/53/67/374645367.db2.gz CRLQRXPZKIWHRI-JTQLQIEISA-N 1 1 293.323 1.305 10 5 CDBEMO C[C@H]1CCOCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000378457822 374645382 /nfs/dbraw/zinc/64/53/82/374645382.db2.gz CRLQRXPZKIWHRI-JTQLQIEISA-N 1 1 293.323 1.305 10 5 CDBEMO C[C@@H](O)C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)CO ZINC000249007304 376112853 /nfs/dbraw/zinc/11/28/53/376112853.db2.gz ZQEJMMSRRQWGKN-RKDXNWHRSA-N 1 1 274.342 1.220 10 5 CDBEMO C[C@@H](O)C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)CO ZINC000249007304 376112858 /nfs/dbraw/zinc/11/28/58/376112858.db2.gz ZQEJMMSRRQWGKN-RKDXNWHRSA-N 1 1 274.342 1.220 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000449787214 251024378 /nfs/dbraw/zinc/02/43/78/251024378.db2.gz TZCZWPHYEDWUDI-NSHDSACASA-N 1 1 297.330 1.232 10 5 CDBEMO Cc1c(NC(=O)CC[N@@H+](C)CCCO)cccc1[N+](=O)[O-] ZINC000281596239 195301126 /nfs/dbraw/zinc/30/11/26/195301126.db2.gz FYKLXMQBEIFKJY-UHFFFAOYSA-N 1 1 295.339 1.546 10 5 CDBEMO COc1cc(CN2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000411161636 390966163 /nfs/dbraw/zinc/96/61/63/390966163.db2.gz YSUAWVKVNDEUPE-UHFFFAOYSA-N 1 1 279.340 1.741 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408111822 391410191 /nfs/dbraw/zinc/41/01/91/391410191.db2.gz GCAPCKCRKLBCNT-SECBINFHSA-N 1 1 278.312 1.074 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408111822 391410194 /nfs/dbraw/zinc/41/01/94/391410194.db2.gz GCAPCKCRKLBCNT-SECBINFHSA-N 1 1 278.312 1.074 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(CO)CC1 ZINC000190008694 130050786 /nfs/dbraw/zinc/05/07/86/130050786.db2.gz HKZGYOXRRVKLAG-UHFFFAOYSA-N 1 1 280.324 1.808 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1(CO)CC1 ZINC000190008694 130050787 /nfs/dbraw/zinc/05/07/87/130050787.db2.gz HKZGYOXRRVKLAG-UHFFFAOYSA-N 1 1 280.324 1.808 10 5 CDBEMO CC(C)[C@@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000357049504 391936963 /nfs/dbraw/zinc/93/69/63/391936963.db2.gz YJVAFEPPZSKKDX-CYBMUJFWSA-N 1 1 294.355 1.180 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@](O)(CO)C1 ZINC000459635356 392496512 /nfs/dbraw/zinc/49/65/12/392496512.db2.gz PPHAFGOQWOBUEO-IUODEOHRSA-N 1 1 294.351 1.783 10 5 CDBEMO CCn1nncc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000418025241 392876165 /nfs/dbraw/zinc/87/61/65/392876165.db2.gz DYRIVJCNYJHDQP-UHFFFAOYSA-N 1 1 275.312 1.804 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000419005886 392883432 /nfs/dbraw/zinc/88/34/32/392883432.db2.gz PMDRNOVEBBVTJN-RYUDHWBXSA-N 1 1 279.340 1.486 10 5 CDBEMO C[C@@H]1CC[C@H](O)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000421000263 392924241 /nfs/dbraw/zinc/92/42/41/392924241.db2.gz AWLZNBIHJGRXEL-NEPJUHHUSA-N 1 1 280.324 1.819 10 5 CDBEMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532395408 393072403 /nfs/dbraw/zinc/07/24/03/393072403.db2.gz FIHPMSZLFOVYEO-SNVBAGLBSA-N 1 1 278.312 1.061 10 5 CDBEMO Cc1nc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000284405751 393192136 /nfs/dbraw/zinc/19/21/36/393192136.db2.gz BDPAGGSDXBQPSR-QWHCGFSZSA-N 1 1 292.339 1.208 10 5 CDBEMO C[C@@H]1C(=O)NCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189308738 140112385 /nfs/dbraw/zinc/11/23/85/140112385.db2.gz INNRUIJDXHJKPQ-LLVKDONJSA-N 1 1 293.323 1.184 10 5 CDBEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000189308738 140112386 /nfs/dbraw/zinc/11/23/86/140112386.db2.gz INNRUIJDXHJKPQ-LLVKDONJSA-N 1 1 293.323 1.184 10 5 CDBEMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000399284618 397652255 /nfs/dbraw/zinc/65/22/55/397652255.db2.gz KEFIEYOFWJHDCD-MFKMUULPSA-N 1 1 250.298 1.940 10 5 CDBEMO CCOCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153127761 289158215 /nfs/dbraw/zinc/15/82/15/289158215.db2.gz ALKOYXGUTGYGGY-UHFFFAOYSA-N 1 1 250.298 1.989 10 5 CDBEMO CCOCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153127761 289158217 /nfs/dbraw/zinc/15/82/17/289158217.db2.gz ALKOYXGUTGYGGY-UHFFFAOYSA-N 1 1 250.298 1.989 10 5 CDBEMO C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093332205 147046280 /nfs/dbraw/zinc/04/62/80/147046280.db2.gz KFKBYBKCJVJYKV-GWCFXTLKSA-N 1 1 250.298 1.798 10 5 CDBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000121422764 147374434 /nfs/dbraw/zinc/37/44/34/147374434.db2.gz WQZXYBHBFALLDT-NSHDSACASA-N 1 1 292.339 1.370 10 5 CDBEMO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343592728 152236156 /nfs/dbraw/zinc/23/61/56/152236156.db2.gz VLXMAGTXUTWGLQ-UWVGGRQHSA-N 1 1 295.343 1.311 10 5 CDBEMO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000358791839 158029205 /nfs/dbraw/zinc/02/92/05/158029205.db2.gz MCNWHTMPRFIUSR-VIFPVBQESA-N 1 1 289.295 1.607 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000366627316 159387395 /nfs/dbraw/zinc/38/73/95/159387395.db2.gz DSONYLONNVCPEJ-ZDUSSCGKSA-N 1 1 262.309 1.594 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC001586616284 1172952676 /nfs/dbraw/zinc/95/26/76/1172952676.db2.gz GOIGTQXROCOXRT-NXEZZACHSA-N 1 1 295.343 1.120 10 5 CDBEMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000372265000 160097496 /nfs/dbraw/zinc/09/74/96/160097496.db2.gz VOONTERNFXYQSG-XJFOESAGSA-N 1 1 289.335 1.213 10 5 CDBEMO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000372265000 160097497 /nfs/dbraw/zinc/09/74/97/160097497.db2.gz VOONTERNFXYQSG-XJFOESAGSA-N 1 1 289.335 1.213 10 5 CDBEMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000372265000 160097500 /nfs/dbraw/zinc/09/75/00/160097500.db2.gz VOONTERNFXYQSG-XJFOESAGSA-N 1 1 289.335 1.213 10 5 CDBEMO O=[N+]([O-])c1cnccc1NCCC[NH+]1CCOCC1 ZINC000037393585 173174524 /nfs/dbraw/zinc/17/45/24/173174524.db2.gz 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ZINC000408198720 281013003 /nfs/dbraw/zinc/01/30/03/281013003.db2.gz OHCGYDRSDABPHN-GFCCVEGCSA-N 1 1 277.324 1.424 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000574721869 295043805 /nfs/dbraw/zinc/04/38/05/295043805.db2.gz PEAYVLSNKUCIOT-PWSUYJOCSA-N 1 1 262.313 1.663 10 5 CDBEMO CNC(=O)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183373371 323333465 /nfs/dbraw/zinc/33/34/65/323333465.db2.gz VLISBXXMFHUNOH-UHFFFAOYSA-N 1 1 279.340 1.861 10 5 CDBEMO CN(CC[N@@H+](C)CC1=CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013958 1160433830 /nfs/dbraw/zinc/43/38/30/1160433830.db2.gz SRIYPCHTBBVRBZ-ZIAGYGMSSA-N 1 1 295.383 1.542 10 5 CDBEMO CN(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272013958 1160433834 /nfs/dbraw/zinc/43/38/34/1160433834.db2.gz SRIYPCHTBBVRBZ-ZIAGYGMSSA-N 1 1 295.383 1.542 10 5 CDBEMO CN(CC[N@@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272013958 1160433839 /nfs/dbraw/zinc/43/38/39/1160433839.db2.gz SRIYPCHTBBVRBZ-ZIAGYGMSSA-N 1 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O=C1OC[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC001654430599 1171612270 /nfs/dbraw/zinc/61/22/70/1171612270.db2.gz XCKCXNUFHPGDOH-QWRGUYRKSA-N 1 1 262.265 1.200 10 5 CDBEMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001620677302 1172602443 /nfs/dbraw/zinc/60/24/43/1172602443.db2.gz NIZUOSDZQXMCOM-STQMWFEESA-N 1 1 280.324 1.018 10 5 CDBEMO Cc1ccccc1C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690940202 1175620283 /nfs/dbraw/zinc/62/02/83/1175620283.db2.gz RXHHFIAMSCFAHR-ZIAGYGMSSA-N 1 1 291.351 1.208 10 5 CDBEMO Cc1ccccc1C[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001690940202 1175620287 /nfs/dbraw/zinc/62/02/87/1175620287.db2.gz RXHHFIAMSCFAHR-ZIAGYGMSSA-N 1 1 291.351 1.208 10 5 CDBEMO Cc1ccccc1C[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001690940202 1175620292 /nfs/dbraw/zinc/62/02/92/1175620292.db2.gz RXHHFIAMSCFAHR-ZIAGYGMSSA-N 1 1 291.351 1.208 10 5 CDBEMO CN(CC[N@@H+](C)CC1CCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699002062 1176033042 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1.297 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001353682313 968147647 /nfs/dbraw/zinc/14/76/47/968147647.db2.gz WYCKXKNLDQKPCV-UHFFFAOYSA-N 1 1 274.280 1.416 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001655142272 1171672964 /nfs/dbraw/zinc/67/29/64/1171672964.db2.gz UXKBBXBZPZIUDW-AWEZNQCLSA-N 1 1 294.355 1.826 10 5 CDBEMO CCOCC[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601113245 342470768 /nfs/dbraw/zinc/47/07/68/342470768.db2.gz GITVBDWQPSGZDD-UHFFFAOYSA-N 1 1 298.318 1.287 10 5 CDBEMO CC[C@H](CO)[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601120570 342471101 /nfs/dbraw/zinc/47/11/01/342471101.db2.gz LBXXVAUQCSOSAK-LLVKDONJSA-N 1 1 298.318 1.022 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000611516311 346807105 /nfs/dbraw/zinc/80/71/05/346807105.db2.gz PBJWCGQMLYRVKP-WCFLWFBJSA-N 1 1 280.324 1.392 10 5 CDBEMO COc1cc(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590010433 342519334 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C[N@H+]1CCC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000048752849 342262860 /nfs/dbraw/zinc/26/28/60/342262860.db2.gz RWFFTOOFKFUQKM-SECBINFHSA-N 1 1 269.326 1.480 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC(CO)(CO)C1 ZINC000595801458 343157483 /nfs/dbraw/zinc/15/74/83/343157483.db2.gz XMOIVZLDLROWAR-LLVKDONJSA-N 1 1 280.324 1.333 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000595835613 343170847 /nfs/dbraw/zinc/17/08/47/343170847.db2.gz VAGSJJVYVYWHBW-UHFFFAOYSA-N 1 1 266.272 1.956 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC2(COC2)C1 ZINC000595835613 343170850 /nfs/dbraw/zinc/17/08/50/343170850.db2.gz VAGSJJVYVYWHBW-UHFFFAOYSA-N 1 1 266.272 1.956 10 5 CDBEMO C[C@@H]1C[C@H](O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000602929941 344661438 /nfs/dbraw/zinc/66/14/38/344661438.db2.gz AHRYTBZSTFZVQL-BXUZGUMPSA-N 1 1 264.325 1.983 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000604229163 344870126 /nfs/dbraw/zinc/87/01/26/344870126.db2.gz KBGHWCUZWOUPSW-LLVKDONJSA-N 1 1 278.312 1.811 10 5 CDBEMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000127199358 290806443 /nfs/dbraw/zinc/80/64/43/290806443.db2.gz XGWNJHHPCQRDDE-QWRGUYRKSA-N 1 1 277.324 1.759 10 5 CDBEMO C[C@@H]1CC[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551315 180002293 /nfs/dbraw/zinc/00/22/93/180002293.db2.gz ICRMEBJDCUEBSZ-NEPJUHHUSA-N 1 1 279.340 1.877 10 5 CDBEMO C[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000164979066 363579485 /nfs/dbraw/zinc/57/94/85/363579485.db2.gz KHNPHJUPBIICBN-UHFFFAOYSA-N 1 1 264.241 1.373 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186539655 357659713 /nfs/dbraw/zinc/65/97/13/357659713.db2.gz UFHRCXSHZZEHCU-XDTLVQLUSA-N 1 1 266.297 1.083 10 5 CDBEMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000193580330 358305524 /nfs/dbraw/zinc/30/55/24/358305524.db2.gz SXGDSWFGILBHPI-GMSGAONNSA-N 1 1 269.326 1.271 10 5 CDBEMO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000361588396 358340176 /nfs/dbraw/zinc/34/01/76/358340176.db2.gz ROERNERUDQPLQC-DGCLKSJQSA-N 1 1 280.324 1.567 10 5 CDBEMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000361588396 358340178 /nfs/dbraw/zinc/34/01/78/358340178.db2.gz ROERNERUDQPLQC-DGCLKSJQSA-N 1 1 280.324 1.567 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCF)CC1 ZINC000137606633 371065918 /nfs/dbraw/zinc/06/59/18/371065918.db2.gz VTRRRRGDJBCQOH-UHFFFAOYSA-N 1 1 295.314 1.712 10 5 CDBEMO C[C@@H]1C[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000266213797 373977946 /nfs/dbraw/zinc/97/79/46/373977946.db2.gz GRDAOROOMRFKAK-ZJUUUORDSA-N 1 1 267.333 1.247 10 5 CDBEMO CNC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420967777 374306707 /nfs/dbraw/zinc/30/67/07/374306707.db2.gz ALJKHRLVONOBAZ-WDEREUQCSA-N 1 1 277.324 1.724 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171279080 376508604 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CDBEMO CCC[N@@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532142961 393066913 /nfs/dbraw/zinc/06/69/13/393066913.db2.gz OSHFZTKKAFASDN-UHFFFAOYSA-N 1 1 280.328 1.452 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000302366587 393197348 /nfs/dbraw/zinc/19/73/48/393197348.db2.gz DOHKSYVTZYSTQE-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195336153 140154449 /nfs/dbraw/zinc/15/44/49/140154449.db2.gz PAIKBZDDXFGYQS-NSHDSACASA-N 1 1 293.298 1.654 10 5 CDBEMO COc1cc(C[N@@H+](C)CC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000305862653 149174964 /nfs/dbraw/zinc/17/49/64/149174964.db2.gz YPZCFTQDDOBAGF-SNVBAGLBSA-N 1 1 268.313 1.806 10 5 CDBEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])o1 ZINC000037213797 173034859 /nfs/dbraw/zinc/03/48/59/173034859.db2.gz OHKDRNRABXNXEH-SNVBAGLBSA-N 1 1 253.302 1.762 10 5 CDBEMO CCN1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000037213797 173034861 /nfs/dbraw/zinc/03/48/61/173034861.db2.gz OHKDRNRABXNXEH-SNVBAGLBSA-N 1 1 253.302 1.762 10 5 CDBEMO C[N@@H+]1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000040673176 174371541 /nfs/dbraw/zinc/37/15/41/174371541.db2.gz CVBOAUDFODQXTN-SNVBAGLBSA-N 1 1 255.343 1.840 10 5 CDBEMO C[N@H+]1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000040673176 174371542 /nfs/dbraw/zinc/37/15/42/174371542.db2.gz CVBOAUDFODQXTN-SNVBAGLBSA-N 1 1 255.343 1.840 10 5 CDBEMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)n1 ZINC000191799273 227173740 /nfs/dbraw/zinc/17/37/40/227173740.db2.gz CROWYNZXHCRFOJ-VIFPVBQESA-N 1 1 295.343 1.024 10 5 CDBEMO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000361588397 279051315 /nfs/dbraw/zinc/05/13/15/279051315.db2.gz ROERNERUDQPLQC-WCQYABFASA-N 1 1 280.324 1.567 10 5 CDBEMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000361588397 279051318 /nfs/dbraw/zinc/05/13/18/279051318.db2.gz ROERNERUDQPLQC-WCQYABFASA-N 1 1 280.324 1.567 10 5 CDBEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155147221 288093507 /nfs/dbraw/zinc/09/35/07/288093507.db2.gz LXBZPJBVVLXETJ-PHIMTYICSA-N 1 1 277.324 1.759 10 5 CDBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155147221 288093508 /nfs/dbraw/zinc/09/35/08/288093508.db2.gz LXBZPJBVVLXETJ-PHIMTYICSA-N 1 1 277.324 1.759 10 5 CDBEMO Cc1c[nH+]cn1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000376743444 281673048 /nfs/dbraw/zinc/67/30/48/281673048.db2.gz WBGOYWJCWCQQBQ-UHFFFAOYSA-N 1 1 288.311 1.731 10 5 CDBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CO ZINC000050816611 520331028 /nfs/dbraw/zinc/33/10/28/520331028.db2.gz OABOBQWJOQDVRD-ZDUSSCGKSA-N 1 1 279.340 1.983 10 5 CDBEMO O=C(c1ccccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000049515906 526812745 /nfs/dbraw/zinc/81/27/45/526812745.db2.gz NWMFYJBPVQZPMV-NSHDSACASA-N 1 1 275.308 1.515 10 5 CDBEMO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cscn2)cc1 ZINC000731678990 575059487 /nfs/dbraw/zinc/05/94/87/575059487.db2.gz VLUDXOWZKYZRCY-LBPRGKRZSA-N 1 1 279.321 1.875 10 5 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COc1cc([N+](=O)[O-])cnc1NC(=O)Cn1c[nH+]cc1C ZINC001132750631 1163466537 /nfs/dbraw/zinc/46/65/37/1163466537.db2.gz YECVISOPSLSWHL-UHFFFAOYSA-N 1 1 291.267 1.142 10 5 CDBEMO Cn1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cn1 ZINC000601149192 342482280 /nfs/dbraw/zinc/48/22/80/342482280.db2.gz KONWNZBLNKDVNL-AWEZNQCLSA-N 1 1 290.323 1.326 10 5 CDBEMO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000078523610 342204412 /nfs/dbraw/zinc/20/44/12/342204412.db2.gz JNCQVZXEQASVOW-NSHDSACASA-N 1 1 297.330 1.627 10 5 CDBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000600472268 342215369 /nfs/dbraw/zinc/21/53/69/342215369.db2.gz NMJILEXMOWGBEW-LLVKDONJSA-N 1 1 293.323 1.935 10 5 CDBEMO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000595447184 343053637 /nfs/dbraw/zinc/05/36/37/343053637.db2.gz BPTXXMVOPNPYBU-NSHDSACASA-N 1 1 297.330 1.232 10 5 CDBEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595524546 343089063 /nfs/dbraw/zinc/08/90/63/343089063.db2.gz MPZRDIBATVBOBN-NXEZZACHSA-N 1 1 269.301 1.484 10 5 CDBEMO COCC[N@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000080948407 342361918 /nfs/dbraw/zinc/36/19/18/342361918.db2.gz BNCFTIRPGKSERC-UHFFFAOYSA-N 1 1 279.340 1.753 10 5 CDBEMO O=[N+]([O-])c1cccc(F)c1N1CC(C[NH+]2CCOCC2)C1 ZINC000596239383 343283982 /nfs/dbraw/zinc/28/39/82/343283982.db2.gz FLZWFVFHBCHZAL-UHFFFAOYSA-N 1 1 295.314 1.502 10 5 CDBEMO CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000596449697 343323908 /nfs/dbraw/zinc/32/39/08/343323908.db2.gz DEXWFJQGMUZYHB-SNVBAGLBSA-N 1 1 280.328 1.100 10 5 CDBEMO CCc1nn(C)c(N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000092829267 342419485 /nfs/dbraw/zinc/41/94/85/342419485.db2.gz QMJPHDNOHYLYDT-LLVKDONJSA-N 1 1 293.371 1.565 10 5 CDBEMO CCc1nn(C)c(N2CC[N@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000092829267 342419486 /nfs/dbraw/zinc/41/94/86/342419486.db2.gz QMJPHDNOHYLYDT-LLVKDONJSA-N 1 1 293.371 1.565 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599165808 343973022 /nfs/dbraw/zinc/97/30/22/343973022.db2.gz TYSLTAGCNYDSQX-LLVKDONJSA-N 1 1 279.344 1.757 10 5 CDBEMO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602715346 344555002 /nfs/dbraw/zinc/55/50/02/344555002.db2.gz FNAVYNQGFNDBCD-ZJUUUORDSA-N 1 1 268.317 1.328 10 5 CDBEMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000602715346 344555004 /nfs/dbraw/zinc/55/50/04/344555004.db2.gz FNAVYNQGFNDBCD-ZJUUUORDSA-N 1 1 268.317 1.328 10 5 CDBEMO COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000344422726 362767724 /nfs/dbraw/zinc/76/77/24/362767724.db2.gz RJHJSSYHUFSWJR-LLVKDONJSA-N 1 1 266.301 1.122 10 5 CDBEMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C ZINC000124269723 187129491 /nfs/dbraw/zinc/12/94/91/187129491.db2.gz ZUFJAFIEBVSZNK-ZJUUUORDSA-N 1 1 281.312 1.743 10 5 CDBEMO COCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271579234 191224693 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C[C@H]([NH2+]CCS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000037740275 370039560 /nfs/dbraw/zinc/03/95/60/370039560.db2.gz KEMCEGNOJCHKKO-VIFPVBQESA-N 1 1 272.326 1.290 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283852105 375126205 /nfs/dbraw/zinc/12/62/05/375126205.db2.gz HBPLDRISCSYWOC-QMMMGPOBSA-N 1 1 296.302 1.140 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[NH+]3CCC2CC3)c(Cl)c1 ZINC000302786056 375249873 /nfs/dbraw/zinc/24/98/73/375249873.db2.gz VRQRPQJCAZDEOJ-UHFFFAOYSA-N 1 1 282.731 1.928 10 5 CDBEMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@H+]1C ZINC000356359863 375837702 /nfs/dbraw/zinc/83/77/02/375837702.db2.gz JAABAQCIFPOIQQ-MNOVXSKESA-N 1 1 294.355 1.488 10 5 CDBEMO Cc1nc(N[C@H]2CC[N@H+](C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450274749 251205049 /nfs/dbraw/zinc/20/50/49/251205049.db2.gz CICQTSLHXCYRJF-JTQLQIEISA-N 1 1 265.317 1.588 10 5 CDBEMO COc1cc(C[N@@H+](C)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000305815273 390881329 /nfs/dbraw/zinc/88/13/29/390881329.db2.gz JQZGBKJWFWSMIK-UHFFFAOYSA-N 1 1 268.313 1.806 10 5 CDBEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408246203 391019602 /nfs/dbraw/zinc/01/96/02/391019602.db2.gz KNGXRWOALDTRNB-WDEREUQCSA-N 1 1 292.339 1.622 10 5 CDBEMO C[C@@H]1CCSCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408062575 391195582 /nfs/dbraw/zinc/19/55/82/391195582.db2.gz OFSWILGPUJJDTM-SECBINFHSA-N 1 1 270.358 1.656 10 5 CDBEMO C[C@@H]1CCSCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408062575 391195585 /nfs/dbraw/zinc/19/55/85/391195585.db2.gz OFSWILGPUJJDTM-SECBINFHSA-N 1 1 270.358 1.656 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000192454819 391331577 /nfs/dbraw/zinc/33/15/77/391331577.db2.gz RYQZOTADHJCTPE-DTWKUNHWSA-N 1 1 268.342 1.724 10 5 CDBEMO CCOC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000152075497 391437215 /nfs/dbraw/zinc/43/72/15/391437215.db2.gz PGYDVQUBDGIOCQ-UHFFFAOYSA-N 1 1 298.343 1.455 10 5 CDBEMO CCOC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000152075497 391437217 /nfs/dbraw/zinc/43/72/17/391437217.db2.gz PGYDVQUBDGIOCQ-UHFFFAOYSA-N 1 1 298.343 1.455 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000442888437 392505064 /nfs/dbraw/zinc/50/50/64/392505064.db2.gz GSIMCQXHXFZEMM-ZWNOBZJWSA-N 1 1 280.324 1.806 10 5 CDBEMO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000488761079 392726048 /nfs/dbraw/zinc/72/60/48/392726048.db2.gz NFGMQFRTHWKPDP-ZJUUUORDSA-N 1 1 298.314 1.945 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000488761079 392726053 /nfs/dbraw/zinc/72/60/53/392726053.db2.gz NFGMQFRTHWKPDP-ZJUUUORDSA-N 1 1 298.314 1.945 10 5 CDBEMO C[C@@H]1C[C@H]([N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCO1 ZINC000420955547 392922536 /nfs/dbraw/zinc/92/25/36/392922536.db2.gz XWLNXCJCFFASKE-ZYHUDNBSSA-N 1 1 277.324 1.915 10 5 CDBEMO C[N@@H+]1C[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000193601723 140146415 /nfs/dbraw/zinc/14/64/15/140146415.db2.gz CGPOHWIIFIRLJF-BETUJISGSA-N 1 1 291.351 1.467 10 5 CDBEMO Cc1c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000195316121 140154064 /nfs/dbraw/zinc/15/40/64/140154064.db2.gz XAZYDXVKMGPYPE-GFCCVEGCSA-N 1 1 289.335 1.823 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000355748637 157216212 /nfs/dbraw/zinc/21/62/12/157216212.db2.gz RGMKGSIHYFXHFS-AWEZNQCLSA-N 1 1 294.355 1.684 10 5 CDBEMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000355780844 157231409 /nfs/dbraw/zinc/23/14/09/157231409.db2.gz ISDIHZFKFIOFBG-UHXUPSOCSA-N 1 1 296.371 1.519 10 5 CDBEMO C[C@@H]1CCCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362605356 159192681 /nfs/dbraw/zinc/19/26/81/159192681.db2.gz FAUGMZIHUGJPAG-YPMHNXCESA-N 1 1 282.344 1.417 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])[C@H](C)C1 ZINC001586616287 1172951609 /nfs/dbraw/zinc/95/16/09/1172951609.db2.gz GOIGTQXROCOXRT-ZJUUUORDSA-N 1 1 295.343 1.120 10 5 CDBEMO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000284645599 196101601 /nfs/dbraw/zinc/10/16/01/196101601.db2.gz PBLHIMZAGHYAAI-NWDGAFQWSA-N 1 1 266.297 1.176 10 5 CDBEMO CC(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000037235811 173054729 /nfs/dbraw/zinc/05/47/29/173054729.db2.gz KKRQULZCSIPMRM-UHFFFAOYSA-N 1 1 273.239 1.099 10 5 CDBEMO CC[N@H+]1CCC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000040503289 174299508 /nfs/dbraw/zinc/29/95/08/174299508.db2.gz WNBVUHKBZYXDLS-NSHDSACASA-N 1 1 292.339 1.590 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000040690825 174377337 /nfs/dbraw/zinc/37/73/37/174377337.db2.gz BWQNFRLETZOWRZ-SNVBAGLBSA-N 1 1 281.287 1.558 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000408473078 275041075 /nfs/dbraw/zinc/04/10/75/275041075.db2.gz YQNUXRPPNAGNIS-VIFPVBQESA-N 1 1 266.276 1.413 10 5 CDBEMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000127199600 288080989 /nfs/dbraw/zinc/08/09/89/288080989.db2.gz XGWNJHHPCQRDDE-GHMZBOCLSA-N 1 1 277.324 1.759 10 5 CDBEMO C[N@H+]1CCO[C@@H]2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000285193910 290088309 /nfs/dbraw/zinc/08/83/09/290088309.db2.gz WEHZPCLDZWTXBQ-UONOGXRCSA-N 1 1 277.324 1.504 10 5 CDBEMO CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001723515005 1181581344 /nfs/dbraw/zinc/58/13/44/1181581344.db2.gz ODNXVFZIVJJXHW-GHMZBOCLSA-N 1 1 283.372 1.326 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1ccc([N+](=O)[O-])cc1F ZINC000062540938 521258845 /nfs/dbraw/zinc/25/88/45/521258845.db2.gz RWDAJDRZFIMRJW-SNVBAGLBSA-N 1 1 286.259 1.393 10 5 CDBEMO COCC[C@@H]([NH3+])c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000052785510 521831237 /nfs/dbraw/zinc/83/12/37/521831237.db2.gz YSPXZKGMNLLPFA-LLVKDONJSA-N 1 1 292.295 1.990 10 5 CDBEMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000050708163 523794854 /nfs/dbraw/zinc/79/48/54/523794854.db2.gz FUTGHKAPPOORHW-LLVKDONJSA-N 1 1 292.339 1.391 10 5 CDBEMO Cc1cnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000061320347 526041056 /nfs/dbraw/zinc/04/10/56/526041056.db2.gz GNYWJZSEQUOGPT-UHFFFAOYSA-N 1 1 258.281 1.983 10 5 CDBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CC[C@@H](CO)C1 ZINC000062727300 527398844 /nfs/dbraw/zinc/39/88/44/527398844.db2.gz QOTVHQDIBPZEBC-LLVKDONJSA-N 1 1 250.298 1.452 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000050791780 527504264 /nfs/dbraw/zinc/50/42/64/527504264.db2.gz MCFOPCAFWJYKAU-SNVBAGLBSA-N 1 1 265.313 1.381 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC1OCCO1)C2 ZINC000767810148 576231468 /nfs/dbraw/zinc/23/14/68/576231468.db2.gz DGSJYYVIHQHANX-UHFFFAOYSA-N 1 1 278.308 1.716 10 5 CDBEMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000761082530 576545189 /nfs/dbraw/zinc/54/51/89/576545189.db2.gz ICJRCLDSLQPQKP-KCJUWKMLSA-N 1 1 261.281 1.288 10 5 CDBEMO CCOc1ccc([C@@H](C)[NH2+][C@H]2CNOC2)cc1[N+](=O)[O-] ZINC000925871058 617931710 /nfs/dbraw/zinc/93/17/10/617931710.db2.gz LEFOQXQMNKOUFR-KOLCDFICSA-N 1 1 281.312 1.548 10 5 CDBEMO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000923435627 618338469 /nfs/dbraw/zinc/33/84/69/618338469.db2.gz ITSBWDJLBHEFTQ-OUAUKWLOSA-N 1 1 279.340 1.871 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1C ZINC000928430040 619001912 /nfs/dbraw/zinc/00/19/12/619001912.db2.gz FGRWXUCPBLOONR-SKDRFNHKSA-N 1 1 295.314 1.485 10 5 CDBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCCC1 ZINC000905906022 627032487 /nfs/dbraw/zinc/03/24/87/627032487.db2.gz QJZFUFSTLMWUSH-AWEZNQCLSA-N 1 1 294.351 1.693 10 5 CDBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCCC1 ZINC000905906022 627032491 /nfs/dbraw/zinc/03/24/91/627032491.db2.gz QJZFUFSTLMWUSH-AWEZNQCLSA-N 1 1 294.351 1.693 10 5 CDBEMO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+]1C ZINC000719367264 677934443 /nfs/dbraw/zinc/93/44/43/677934443.db2.gz BZOSOINCMMKIDC-HTQZYQBOSA-N 1 1 268.292 1.821 10 5 CDBEMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000928456499 677974399 /nfs/dbraw/zinc/97/43/99/677974399.db2.gz LWYLEFZLUGQGNH-CMPLNLGQSA-N 1 1 277.324 1.726 10 5 CDBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(COC2)O1 ZINC000929165344 678163310 /nfs/dbraw/zinc/16/33/10/678163310.db2.gz SNHRUNOGDIKFRV-CYBMUJFWSA-N 1 1 292.335 1.975 10 5 CDBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(COC2)O1 ZINC000929165344 678163313 /nfs/dbraw/zinc/16/33/13/678163313.db2.gz SNHRUNOGDIKFRV-CYBMUJFWSA-N 1 1 292.335 1.975 10 5 CDBEMO C[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817970170 678394308 /nfs/dbraw/zinc/39/43/08/678394308.db2.gz NBKUSWUZIRNBNU-KWBADKCTSA-N 1 1 278.356 1.826 10 5 CDBEMO Cc1nn(C)c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866208909 678468180 /nfs/dbraw/zinc/46/81/80/678468180.db2.gz XHMGOEUHOHPBKK-GHMZBOCLSA-N 1 1 279.344 1.167 10 5 CDBEMO C[C@H]1CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000783923345 678669941 /nfs/dbraw/zinc/66/99/41/678669941.db2.gz YWPSUXIJZKAVPL-JTQLQIEISA-N 1 1 278.312 1.204 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000840142135 678975736 /nfs/dbraw/zinc/97/57/36/678975736.db2.gz RDGMPWMUMPVETL-LBPRGKRZSA-N 1 1 266.301 1.251 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000840142135 678975738 /nfs/dbraw/zinc/97/57/38/678975738.db2.gz RDGMPWMUMPVETL-LBPRGKRZSA-N 1 1 266.301 1.251 10 5 CDBEMO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083270 679088061 /nfs/dbraw/zinc/08/80/61/679088061.db2.gz JXHWXKXMNFVAOJ-TVQRCGJNSA-N 1 1 286.303 1.782 10 5 CDBEMO CCn1cc([N+](=O)[O-])c(C(=O)OCC[C@H]2CC[N@@H+](C)C2)n1 ZINC000847821524 679406442 /nfs/dbraw/zinc/40/64/42/679406442.db2.gz HZTFDBITOODWIC-SNVBAGLBSA-N 1 1 296.327 1.310 10 5 CDBEMO CC[C@H](CO)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930099949 679460557 /nfs/dbraw/zinc/46/05/57/679460557.db2.gz PMMVFPPGJFRWRB-LLVKDONJSA-N 1 1 250.298 1.724 10 5 CDBEMO 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CC(C)=CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985135 944193835 /nfs/dbraw/zinc/19/38/35/944193835.db2.gz NSBGLNCTYLIQSK-VXGBXAGGSA-N 1 1 269.345 1.056 10 5 CDBEMO CC(C)=CC[N@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985135 944193839 /nfs/dbraw/zinc/19/38/39/944193839.db2.gz NSBGLNCTYLIQSK-VXGBXAGGSA-N 1 1 269.345 1.056 10 5 CDBEMO CC(C)=CC[N@@H+](C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001264985135 944193842 /nfs/dbraw/zinc/19/38/42/944193842.db2.gz NSBGLNCTYLIQSK-VXGBXAGGSA-N 1 1 269.345 1.056 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](O)CC23CCC3)c1 ZINC001559924767 960843109 /nfs/dbraw/zinc/84/31/09/960843109.db2.gz BTVMBEKEGBTEAE-LBPRGKRZSA-N 1 1 280.328 1.171 10 5 CDBEMO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001542337832 967222836 /nfs/dbraw/zinc/22/28/36/967222836.db2.gz ROLGWWSDXQGMON-SECBINFHSA-N 1 1 290.323 1.144 10 5 CDBEMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)c1 ZINC001655439027 1171693568 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CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(=O)NC ZINC000595049685 342999476 /nfs/dbraw/zinc/99/94/76/342999476.db2.gz CZAAKYDFOWWYIZ-SKDRFNHKSA-N 1 1 295.339 1.779 10 5 CDBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595306006 343030951 /nfs/dbraw/zinc/03/09/51/343030951.db2.gz FXJMVGRIJYMXKB-KOLCDFICSA-N 1 1 295.314 1.820 10 5 CDBEMO Cc1noc(C[NH2+][C@H]2CCOC2(C)C)c1[N+](=O)[O-] ZINC000595535533 343092215 /nfs/dbraw/zinc/09/22/15/343092215.db2.gz ZLEYRLSZLVTCIX-VIFPVBQESA-N 1 1 255.274 1.548 10 5 CDBEMO COc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000113541915 342429286 /nfs/dbraw/zinc/42/92/86/342429286.db2.gz ZQLGHXAHGKDNRY-LBPRGKRZSA-N 1 1 293.323 1.124 10 5 CDBEMO COc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000113541915 342429287 /nfs/dbraw/zinc/42/92/87/342429287.db2.gz ZQLGHXAHGKDNRY-LBPRGKRZSA-N 1 1 293.323 1.124 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000139159227 342432727 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CC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611253784 346721240 /nfs/dbraw/zinc/72/12/40/346721240.db2.gz DMZPMTCLFHIPTB-UHFFFAOYSA-N 1 1 252.270 1.818 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](C)CCO1 ZINC000091673575 180224470 /nfs/dbraw/zinc/22/44/70/180224470.db2.gz BZOBDGCEANOARO-LBPRGKRZSA-N 1 1 265.313 1.646 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](C)CCO1 ZINC000091673575 180224471 /nfs/dbraw/zinc/22/44/71/180224471.db2.gz BZOBDGCEANOARO-LBPRGKRZSA-N 1 1 265.313 1.646 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000107822005 186193459 /nfs/dbraw/zinc/19/34/59/186193459.db2.gz YBUUGIQEFHNCOK-LLVKDONJSA-N 1 1 264.281 1.590 10 5 CDBEMO [NH3+][C@@H]1c2cc([N+](=O)[O-])ccc2N(C2CCCC2)C1=O ZINC000019795683 356505187 /nfs/dbraw/zinc/50/51/87/356505187.db2.gz DEZGEUPWRWTKOU-GFCCVEGCSA-N 1 1 261.281 1.884 10 5 CDBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408114920 358159259 /nfs/dbraw/zinc/15/92/59/358159259.db2.gz ZWDJTAFPKZCDJQ-SNVBAGLBSA-N 1 1 278.312 1.763 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408114920 358159263 /nfs/dbraw/zinc/15/92/63/358159263.db2.gz ZWDJTAFPKZCDJQ-SNVBAGLBSA-N 1 1 278.312 1.763 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@]3(CCOC3)C2)n1 ZINC000451909858 359377884 /nfs/dbraw/zinc/37/78/84/359377884.db2.gz XRHVAGKRHZXCKA-CYBMUJFWSA-N 1 1 280.328 1.294 10 5 CDBEMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176354368 360200508 /nfs/dbraw/zinc/20/05/08/360200508.db2.gz DVRVJOPHHAEXGU-QWRGUYRKSA-N 1 1 279.340 1.970 10 5 CDBEMO CC[N@@H+](C)C[C@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302069314 201328553 /nfs/dbraw/zinc/32/85/53/201328553.db2.gz VECGWQBGIDQJHS-CYBMUJFWSA-N 1 1 293.367 1.865 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000441218475 368530355 /nfs/dbraw/zinc/53/03/55/368530355.db2.gz SAEAWMICTAMKCE-CHWSQXEVSA-N 1 1 294.355 1.540 10 5 CDBEMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000293265135 370571977 /nfs/dbraw/zinc/57/19/77/370571977.db2.gz BNYFNWMUCJVCEB-NXEZZACHSA-N 1 1 251.286 1.097 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+]1C ZINC000092623057 374699833 /nfs/dbraw/zinc/69/98/33/374699833.db2.gz IAVRLVBENRLFKS-JTQLQIEISA-N 1 1 250.302 1.804 10 5 CDBEMO CC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000389530402 374919838 /nfs/dbraw/zinc/91/98/38/374919838.db2.gz BXKVCLVOYZHFQI-SECBINFHSA-N 1 1 278.312 1.001 10 5 CDBEMO CC[N@@H+](CCOCCO)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000282197356 375070802 /nfs/dbraw/zinc/07/08/02/375070802.db2.gz WXLPUOZXEAUNMH-LBPRGKRZSA-N 1 1 282.340 1.987 10 5 CDBEMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133084172 375684348 /nfs/dbraw/zinc/68/43/48/375684348.db2.gz YULWACHYPKYXJS-SNVBAGLBSA-N 1 1 295.314 1.806 10 5 CDBEMO NC(=O)N[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000355202971 375781604 /nfs/dbraw/zinc/78/16/04/375781604.db2.gz WLQXZZDDZNVWGZ-OGOUPESXSA-N 1 1 290.323 1.351 10 5 CDBEMO NC(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000355202971 375781611 /nfs/dbraw/zinc/78/16/11/375781611.db2.gz WLQXZZDDZNVWGZ-OGOUPESXSA-N 1 1 290.323 1.351 10 5 CDBEMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)[C@H](C)O1 ZINC000446072882 250263590 /nfs/dbraw/zinc/26/35/90/250263590.db2.gz RIJLIWNXQLSEOH-VWYCJHECSA-N 1 1 268.317 1.289 10 5 CDBEMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)[C@H](C)O1 ZINC000446072882 250263594 /nfs/dbraw/zinc/26/35/94/250263594.db2.gz RIJLIWNXQLSEOH-VWYCJHECSA-N 1 1 268.317 1.289 10 5 CDBEMO Cc1cnc(NC[C@@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450619032 251371069 /nfs/dbraw/zinc/37/10/69/251371069.db2.gz UBYSLCMLADOLBR-LBPRGKRZSA-N 1 1 294.355 1.557 10 5 CDBEMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000371803820 285090233 /nfs/dbraw/zinc/09/02/33/285090233.db2.gz RRHWYCQDWOZESE-NSHDSACASA-N 1 1 297.742 1.769 10 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/nfs/dbraw/zinc/88/38/26/392883826.db2.gz GCXVVAXWTGUNBQ-WDEREUQCSA-N 1 1 297.330 1.625 10 5 CDBEMO CO[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C ZINC000251783689 140312460 /nfs/dbraw/zinc/31/24/60/140312460.db2.gz LMTKYBHPFNRKBB-WDEREUQCSA-N 1 1 268.317 1.148 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000285065968 397605761 /nfs/dbraw/zinc/60/57/61/397605761.db2.gz OZPDTPGYGDDTSF-QWHCGFSZSA-N 1 1 292.339 1.208 10 5 CDBEMO COc1cc(C[N@@H+](CCO)CC2CC2)ccc1[N+](=O)[O-] ZINC000352491889 155223376 /nfs/dbraw/zinc/22/33/76/155223376.db2.gz SVOWDKALFQDAKP-UHFFFAOYSA-N 1 1 280.324 1.808 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]3COCC[C@@H]32)n1 ZINC000362454222 159152960 /nfs/dbraw/zinc/15/29/60/159152960.db2.gz PPPBXBPXHICJHO-RYUDHWBXSA-N 1 1 280.328 1.292 10 5 CDBEMO C[N@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCOCC1 ZINC000037339956 173141555 /nfs/dbraw/zinc/14/15/55/173141555.db2.gz IYMBWMIWKPWMFH-UHFFFAOYSA-N 1 1 267.285 1.216 10 5 CDBEMO C[N@@H+](CC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCOCC1 ZINC000037339956 173141557 /nfs/dbraw/zinc/14/15/57/173141557.db2.gz IYMBWMIWKPWMFH-UHFFFAOYSA-N 1 1 267.285 1.216 10 5 CDBEMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000399168392 270369792 /nfs/dbraw/zinc/36/97/92/270369792.db2.gz BYRQXXSFKIEQBR-MFKMUULPSA-N 1 1 250.298 1.940 10 5 CDBEMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000036794193 278364878 /nfs/dbraw/zinc/36/48/78/278364878.db2.gz KQONVOAXBVJCRZ-VHSXEESVSA-N 1 1 265.313 1.722 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194739444 280052471 /nfs/dbraw/zinc/05/24/71/280052471.db2.gz LDAHEHODZNMBGG-LBPRGKRZSA-N 1 1 263.297 1.419 10 5 CDBEMO CC(=O)NCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000551220502 290002830 /nfs/dbraw/zinc/00/28/30/290002830.db2.gz FIYOCSZIFKETMP-SNVBAGLBSA-N 1 1 265.313 1.724 10 5 CDBEMO Cc1c(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000571223302 294392731 /nfs/dbraw/zinc/39/27/31/294392731.db2.gz CCBYAMUITWUKQJ-NSHDSACASA-N 1 1 291.351 1.861 10 5 CDBEMO [NH3+]CC(F)(F)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000579368251 324170601 /nfs/dbraw/zinc/17/06/01/324170601.db2.gz HZJWHPJDXBWYAQ-UHFFFAOYSA-N 1 1 287.266 1.238 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1cn[nH]c1)C2 ZINC000582831011 325051487 /nfs/dbraw/zinc/05/14/87/325051487.db2.gz GDFYPJUEWROHTJ-UHFFFAOYSA-N 1 1 272.308 1.919 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000062540209 521070818 /nfs/dbraw/zinc/07/08/18/521070818.db2.gz XBQVOHPCOBYIGF-VIFPVBQESA-N 1 1 286.259 1.393 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CSc1ccc([N+](=O)[O-])cc1 ZINC000045549630 521074302 /nfs/dbraw/zinc/07/43/02/521074302.db2.gz OGBSIHVDMRTYRP-JTQLQIEISA-N 1 1 270.310 1.577 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000050708135 521623113 /nfs/dbraw/zinc/62/31/13/521623113.db2.gz AJPGUTDUGKXCMJ-SNVBAGLBSA-N 1 1 292.339 1.391 10 5 CDBEMO CNc1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000050791807 522609120 /nfs/dbraw/zinc/60/91/20/522609120.db2.gz FHVGZXKSXRSAGE-LBPRGKRZSA-N 1 1 279.340 1.841 10 5 CDBEMO COC(=O)C1CC[NH+](Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050791707 522915579 /nfs/dbraw/zinc/91/55/79/522915579.db2.gz ICBWXFBZVROWPJ-UHFFFAOYSA-N 1 1 293.323 1.562 10 5 CDBEMO CN1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050792772 523183614 /nfs/dbraw/zinc/18/36/14/523183614.db2.gz CUBQITKVUUSRGI-UHFFFAOYSA-N 1 1 278.356 1.703 10 5 CDBEMO CN1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050792772 523183624 /nfs/dbraw/zinc/18/36/24/523183624.db2.gz CUBQITKVUUSRGI-UHFFFAOYSA-N 1 1 278.356 1.703 10 5 CDBEMO COC(=O)[C@H](C)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727270 523864737 /nfs/dbraw/zinc/86/47/37/523864737.db2.gz FNEVUIBMAFFHFG-LLVKDONJSA-N 1 1 280.324 1.878 10 5 CDBEMO C[C@H](O)C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000247162203 525770812 /nfs/dbraw/zinc/77/08/12/525770812.db2.gz MLHHJNBCTSRHEY-QWRGUYRKSA-N 1 1 299.396 1.543 10 5 CDBEMO Nc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000050708665 527502178 /nfs/dbraw/zinc/50/21/78/527502178.db2.gz WSVCRUARPNWNRW-JTQLQIEISA-N 1 1 290.323 1.144 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CCCC[N@H+]2C)n1 ZINC000772062221 575656630 /nfs/dbraw/zinc/65/66/30/575656630.db2.gz UNNOMXBKOYZLPL-JTQLQIEISA-N 1 1 296.327 1.360 10 5 CDBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC3(COC3)C2)c1 ZINC000852682887 679830440 /nfs/dbraw/zinc/83/04/40/679830440.db2.gz BIVHNCHQEVOOPX-ZDUSSCGKSA-N 1 1 278.308 1.351 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000930992885 681840117 /nfs/dbraw/zinc/84/01/17/681840117.db2.gz FNQYODLPUBZCHN-TUAOUCFPSA-N 1 1 270.329 1.317 10 5 CDBEMO Cc1c(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000860158066 683163442 /nfs/dbraw/zinc/16/34/42/683163442.db2.gz IJYYVBWPHDTUPS-VXGBXAGGSA-N 1 1 276.292 1.508 10 5 CDBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000838983665 683724482 /nfs/dbraw/zinc/72/44/82/683724482.db2.gz XYIKMFCPCFCCDJ-AWEZNQCLSA-N 1 1 264.325 1.840 10 5 CDBEMO CON(C)C(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000799146079 683858801 /nfs/dbraw/zinc/85/88/01/683858801.db2.gz XNQCWTUTYOGBCJ-UHFFFAOYSA-N 1 1 293.323 1.363 10 5 CDBEMO C[C@@H]1CC[C@H](CO)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000880441268 683934547 /nfs/dbraw/zinc/93/45/47/683934547.db2.gz SYPVHPBFLJRSLU-DGCLKSJQSA-N 1 1 280.324 1.819 10 5 CDBEMO O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802241552 684039987 /nfs/dbraw/zinc/03/99/87/684039987.db2.gz PKIQCTGNRRUFPV-CYBMUJFWSA-N 1 1 296.298 1.724 10 5 CDBEMO O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802241552 684039991 /nfs/dbraw/zinc/03/99/91/684039991.db2.gz PKIQCTGNRRUFPV-CYBMUJFWSA-N 1 1 296.298 1.724 10 5 CDBEMO O=C(N[C@H]1C[C@@H]([NH2+]CCCCCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001690337006 1175442471 /nfs/dbraw/zinc/44/24/71/1175442471.db2.gz ZNDDFSAVGLJANK-WRWGMCAJSA-N 1 1 287.335 1.028 10 5 CDBEMO CCc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC001637860115 1166793032 /nfs/dbraw/zinc/79/30/32/1166793032.db2.gz BSXXECQJOFEKLA-UHFFFAOYSA-N 1 1 294.336 1.845 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CC[N@@H+](C)C1 ZINC001645325849 1167391471 /nfs/dbraw/zinc/39/14/71/1167391471.db2.gz ODZHISVLNCHSMK-NSHDSACASA-N 1 1 292.339 1.343 10 5 CDBEMO CC(C)[N@H+]1CCC[C@@H](CNc2nn(C)cc2[N+](=O)[O-])C1 ZINC001651444381 1171324324 /nfs/dbraw/zinc/32/43/24/1171324324.db2.gz RIFTXZXIQSOQPC-NSHDSACASA-N 1 1 281.360 1.861 10 5 CDBEMO CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001661422054 1172388802 /nfs/dbraw/zinc/38/88/02/1172388802.db2.gz PSGUYPGSBMDWDC-FDYHWXHSSA-N 1 1 283.372 1.469 10 5 CDBEMO CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001692304150 1175731230 /nfs/dbraw/zinc/73/12/30/1175731230.db2.gz CZQAJTVYQUSUKA-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO COc1cc(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000213824937 1175803348 /nfs/dbraw/zinc/80/33/48/1175803348.db2.gz SLGHUUOWTRRXCM-SNVBAGLBSA-N 1 1 295.339 1.976 10 5 CDBEMO O=C(N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001713948461 1178878139 /nfs/dbraw/zinc/87/81/39/1178878139.db2.gz NOKLNXDVLYGSEQ-AAVRWANBSA-N 1 1 295.383 1.469 10 5 CDBEMO CN(CCC[NH2+]CC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001723019764 1181510232 /nfs/dbraw/zinc/51/02/32/1181510232.db2.gz HAUXAYDLCGCLJC-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO O=C(NC/C=C/C[NH2+]CC1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001732853249 1183159284 /nfs/dbraw/zinc/15/92/84/1183159284.db2.gz YCEITBSMCXYXOS-CDJBXZAQSA-N 1 1 281.356 1.104 10 5 CDBEMO Cc1cc(=O)n(C[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC001613628147 1165533851 /nfs/dbraw/zinc/53/38/51/1165533851.db2.gz VFQUMKCPIQEYTH-NSHDSACASA-N 1 1 295.339 1.033 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@H+](C)C(C)C)n1 ZINC001144262129 931721733 /nfs/dbraw/zinc/72/17/33/931721733.db2.gz NVALHORNZMYJKK-UHFFFAOYSA-N 1 1 280.328 1.368 10 5 CDBEMO Cc1[nH+]ccn1CCCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001559417042 960756165 /nfs/dbraw/zinc/75/61/65/960756165.db2.gz FTQFCMDEWSNJBD-UHFFFAOYSA-N 1 1 280.244 1.295 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3cnccn3)C2)c1 ZINC001560176797 960875109 /nfs/dbraw/zinc/87/51/09/960875109.db2.gz HGOVNGIAOPCQDP-LLVKDONJSA-N 1 1 288.311 1.071 10 5 CDBEMO O=[N+]([O-])c1ncccc1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000589606246 342509701 /nfs/dbraw/zinc/50/97/01/342509701.db2.gz YZMAVSCQRZUNHW-MRVPVSSYSA-N 1 1 259.269 1.682 10 5 CDBEMO O=[N+]([O-])c1ncccc1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000589606246 342509702 /nfs/dbraw/zinc/50/97/02/342509702.db2.gz YZMAVSCQRZUNHW-MRVPVSSYSA-N 1 1 259.269 1.682 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590012366 342520022 /nfs/dbraw/zinc/52/00/22/342520022.db2.gz RWUJDLOXOMIHDY-OCCSQVGLSA-N 1 1 261.325 1.731 10 5 CDBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCC1 ZINC000599260325 343990631 /nfs/dbraw/zinc/99/06/31/343990631.db2.gz YPRKEDWZEFOEOO-ZDUSSCGKSA-N 1 1 294.351 1.693 10 5 CDBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1(O)CCC1 ZINC000599260325 343990633 /nfs/dbraw/zinc/99/06/33/343990633.db2.gz YPRKEDWZEFOEOO-ZDUSSCGKSA-N 1 1 294.351 1.693 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000590719141 342585864 /nfs/dbraw/zinc/58/58/64/342585864.db2.gz XJWUPHHMEUWIEL-KCJUWKMLSA-N 1 1 282.731 1.784 10 5 CDBEMO CC[C@H](CO)[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593031776 342755506 /nfs/dbraw/zinc/75/55/06/342755506.db2.gz NLCPSUHJMIPNAQ-GFCCVEGCSA-N 1 1 296.323 1.584 10 5 CDBEMO CC(C)C[N@@H+](C)CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000593754826 342832933 /nfs/dbraw/zinc/83/29/33/342832933.db2.gz PMFXXIDVSUECMX-UHFFFAOYSA-N 1 1 283.332 1.026 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026449 342867458 /nfs/dbraw/zinc/86/74/58/342867458.db2.gz CAARDZVTJNXMTK-FRRDWIJNSA-N 1 1 291.351 1.407 10 5 CDBEMO Cc1noc(C[NH+]2CCC(OCCCO)CC2)c1[N+](=O)[O-] ZINC000595339473 343029965 /nfs/dbraw/zinc/02/99/65/343029965.db2.gz PNXATDJIFYGASZ-UHFFFAOYSA-N 1 1 299.327 1.255 10 5 CDBEMO Cc1noc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1[N+](=O)[O-] ZINC000595608441 343107809 /nfs/dbraw/zinc/10/78/09/343107809.db2.gz PYOILUDDKBUUPM-SNVBAGLBSA-N 1 1 292.299 1.005 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1[N+](=O)[O-] ZINC000595608441 343107812 /nfs/dbraw/zinc/10/78/12/343107812.db2.gz PYOILUDDKBUUPM-SNVBAGLBSA-N 1 1 292.299 1.005 10 5 CDBEMO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C[NH+]1CCOCC1 ZINC000077995542 342332859 /nfs/dbraw/zinc/33/28/59/342332859.db2.gz HWEVVFUHPYXXDU-NSHDSACASA-N 1 1 280.328 1.370 10 5 CDBEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000294980061 199281932 /nfs/dbraw/zinc/28/19/32/199281932.db2.gz JQUVCFXDSDRRSQ-GXFFZTMASA-N 1 1 250.298 1.940 10 5 CDBEMO C[N@@H+](CCNc1ccc(N)c([N+](=O)[O-])n1)C1CCCCC1 ZINC000596090293 343233885 /nfs/dbraw/zinc/23/38/85/343233885.db2.gz OEPIFCUIQNLZGP-UHFFFAOYSA-N 1 1 293.371 1.670 10 5 CDBEMO CCC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000598342214 343771132 /nfs/dbraw/zinc/77/11/32/343771132.db2.gz KKRCEGQWZUXYDY-JTQLQIEISA-N 1 1 278.312 1.204 10 5 CDBEMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000598342215 343771186 /nfs/dbraw/zinc/77/11/86/343771186.db2.gz KKRCEGQWZUXYDY-SNVBAGLBSA-N 1 1 278.312 1.204 10 5 CDBEMO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@H+](C)CCO1 ZINC000610909383 346486515 /nfs/dbraw/zinc/48/65/15/346486515.db2.gz FHVFBRWOKLTDTR-GXSJLCMTSA-N 1 1 266.301 1.121 10 5 CDBEMO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1C[N@@H+](C)CCO1 ZINC000610909383 346486517 /nfs/dbraw/zinc/48/65/17/346486517.db2.gz FHVFBRWOKLTDTR-GXSJLCMTSA-N 1 1 266.301 1.121 10 5 CDBEMO O=[N+]([O-])c1cc2cn[nH]c2cc1OCC[NH+]1CCCC1 ZINC000584617672 346501384 /nfs/dbraw/zinc/50/13/84/346501384.db2.gz GYYVNXOWNUTBAG-UHFFFAOYSA-N 1 1 276.296 1.946 10 5 CDBEMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551318 180002283 /nfs/dbraw/zinc/00/22/83/180002283.db2.gz ICRMEBJDCUEBSZ-NWDGAFQWSA-N 1 1 279.340 1.877 10 5 CDBEMO O=C1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1 ZINC000255062824 350673842 /nfs/dbraw/zinc/67/38/42/350673842.db2.gz GHYROUGSIHNZJO-HYXAFXHYSA-N 1 1 275.308 1.430 10 5 CDBEMO O=C1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1 ZINC000255062824 350673847 /nfs/dbraw/zinc/67/38/47/350673847.db2.gz GHYROUGSIHNZJO-HYXAFXHYSA-N 1 1 275.308 1.430 10 5 CDBEMO Cc1c(C[NH2+]C2(C(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000411910963 363375974 /nfs/dbraw/zinc/37/59/74/363375974.db2.gz JIWSIYKXTVXTRK-UHFFFAOYSA-N 1 1 277.324 1.614 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C)(C)CC1 ZINC000408017319 357761417 /nfs/dbraw/zinc/76/14/17/357761417.db2.gz QXSXYZVNXZILFZ-UHFFFAOYSA-N 1 1 252.318 1.950 10 5 CDBEMO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000408112813 358157129 /nfs/dbraw/zinc/15/71/29/358157129.db2.gz OEGDJKICAPHPDM-LLVKDONJSA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000408112813 358157132 /nfs/dbraw/zinc/15/71/32/358157132.db2.gz OEGDJKICAPHPDM-LLVKDONJSA-N 1 1 277.324 1.679 10 5 CDBEMO Nc1nc(N2CCC(c3[nH]cc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000263931204 359073595 /nfs/dbraw/zinc/07/35/95/359073595.db2.gz AJPSTEVCFNYVFL-UHFFFAOYSA-N 1 1 289.299 1.074 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](CCO)C1 ZINC000227568478 359063037 /nfs/dbraw/zinc/06/30/37/359063037.db2.gz PDWZGNGQUPCMSL-NSHDSACASA-N 1 1 280.324 1.808 10 5 CDBEMO COC[C@]1(CO)CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451922176 360312771 /nfs/dbraw/zinc/31/27/71/360312771.db2.gz DYWNSQZOGZLGHG-SWLSCSKDSA-N 1 1 294.351 1.987 10 5 CDBEMO C[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CO ZINC000330451181 374854182 /nfs/dbraw/zinc/85/41/82/374854182.db2.gz JTZCWIVHVCWWIJ-QMTHXVAHSA-N 1 1 280.324 1.893 10 5 CDBEMO C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CO ZINC000330451181 374854190 /nfs/dbraw/zinc/85/41/90/374854190.db2.gz JTZCWIVHVCWWIJ-QMTHXVAHSA-N 1 1 280.324 1.893 10 5 CDBEMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000302475568 375204584 /nfs/dbraw/zinc/20/45/84/375204584.db2.gz WRNCKQXGFIEPLQ-NSHDSACASA-N 1 1 265.313 1.098 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@]3(CCCOC3)C2)n1 ZINC000357927188 375941351 /nfs/dbraw/zinc/94/13/51/375941351.db2.gz JCACNKRNZATQQF-AWEZNQCLSA-N 1 1 294.355 1.684 10 5 CDBEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000069508250 378188540 /nfs/dbraw/zinc/18/85/40/378188540.db2.gz PQBMAYFXASRMFB-ZYHUDNBSSA-N 1 1 277.324 1.681 10 5 CDBEMO C[N@H+](CCCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444708207 250173337 /nfs/dbraw/zinc/17/33/37/250173337.db2.gz ZKLDKXFATWGJJI-UHFFFAOYSA-N 1 1 278.312 1.675 10 5 CDBEMO C[N@@H+](CCCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444708207 250173340 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CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000302610974 393199200 /nfs/dbraw/zinc/19/92/00/393199200.db2.gz AOOYNEIFDYCULA-LLVKDONJSA-N 1 1 250.302 1.520 10 5 CDBEMO Nc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C3CC3)CC2)c1 ZINC000193399295 393334345 /nfs/dbraw/zinc/33/43/45/393334345.db2.gz FQEVHCGWLHGBFO-UHFFFAOYSA-N 1 1 276.340 1.852 10 5 CDBEMO O=[N+]([O-])c1ccccc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247010489 140284807 /nfs/dbraw/zinc/28/48/07/140284807.db2.gz CDDMSHUUIHGPFW-ZDUSSCGKSA-N 1 1 261.325 1.875 10 5 CDBEMO CO[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C ZINC000251783688 140312962 /nfs/dbraw/zinc/31/29/62/140312962.db2.gz LMTKYBHPFNRKBB-GHMZBOCLSA-N 1 1 268.317 1.148 10 5 CDBEMO C[N@H+]1CCC[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000040673589 174372118 /nfs/dbraw/zinc/37/21/18/174372118.db2.gz SXXIZJVHJXYBQZ-JTQLQIEISA-N 1 1 278.312 1.200 10 5 CDBEMO O=C(NCC1([NH2+]CCCF)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001666759647 1173183845 /nfs/dbraw/zinc/18/38/45/1173183845.db2.gz DSSQOMJTCNZPKP-GHMZBOCLSA-N 1 1 287.335 1.030 10 5 CDBEMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)[N@H+]1C ZINC000557868588 290371897 /nfs/dbraw/zinc/37/18/97/290371897.db2.gz GEFWGLSCYRYIRF-AOOOYVTPSA-N 1 1 278.312 1.154 10 5 CDBEMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H](C)[N@@H+]1C ZINC000557868588 290371900 /nfs/dbraw/zinc/37/19/00/290371900.db2.gz GEFWGLSCYRYIRF-AOOOYVTPSA-N 1 1 278.312 1.154 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000562383105 293148864 /nfs/dbraw/zinc/14/88/64/293148864.db2.gz XIUWRVGQBXLLPZ-QKCSRTOESA-N 1 1 280.324 1.331 10 5 CDBEMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000570446746 294240596 /nfs/dbraw/zinc/24/05/96/294240596.db2.gz CARLOAPLYCALFO-GXFFZTMASA-N 1 1 290.323 1.156 10 5 CDBEMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563382231 316281298 /nfs/dbraw/zinc/28/12/98/316281298.db2.gz BGLBUQXVNYTVRW-NSHDSACASA-N 1 1 289.335 1.826 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000577004684 317248742 /nfs/dbraw/zinc/24/87/42/317248742.db2.gz PBBQIJHTGPCERY-SNVBAGLBSA-N 1 1 292.339 1.917 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000577004684 317248745 /nfs/dbraw/zinc/24/87/45/317248745.db2.gz PBBQIJHTGPCERY-SNVBAGLBSA-N 1 1 292.339 1.917 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000183272802 323326805 /nfs/dbraw/zinc/32/68/05/323326805.db2.gz CRQBFSRRMRDDDG-AAEUAGOBSA-N 1 1 291.351 1.989 10 5 CDBEMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046880797 482436218 /nfs/dbraw/zinc/43/62/18/482436218.db2.gz LCSXIXGVCNQSHY-PHIMTYICSA-N 1 1 295.339 1.896 10 5 CDBEMO CC[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840703 521711263 /nfs/dbraw/zinc/71/12/63/521711263.db2.gz YHYNFIBWKFYMHA-JTQLQIEISA-N 1 1 264.329 1.931 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](O)COC ZINC000050817905 522644905 /nfs/dbraw/zinc/64/49/05/522644905.db2.gz QSWGBNZACIUNKW-GFCCVEGCSA-N 1 1 283.328 1.076 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+](C)C(C)C ZINC000338420228 525561913 /nfs/dbraw/zinc/56/19/13/525561913.db2.gz ADBRJMYEZQYNRH-UHFFFAOYSA-N 1 1 279.340 1.973 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1CO ZINC000050817073 527504651 /nfs/dbraw/zinc/50/46/51/527504651.db2.gz ZZGOQQPFOSISJN-LBPRGKRZSA-N 1 1 265.313 1.524 10 5 CDBEMO CC(=O)c1cc(NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895769770 619836522 /nfs/dbraw/zinc/83/65/22/619836522.db2.gz IGZSKMZVLNYGMP-NSHDSACASA-N 1 1 263.297 1.913 10 5 CDBEMO CC(=O)c1cc(NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895769770 619836525 /nfs/dbraw/zinc/83/65/25/619836525.db2.gz IGZSKMZVLNYGMP-NSHDSACASA-N 1 1 263.297 1.913 10 5 CDBEMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000913537617 630531795 /nfs/dbraw/zinc/53/17/95/630531795.db2.gz MGNGUPRJHVSVAZ-PHIMTYICSA-N 1 1 293.298 1.653 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000913537617 630531796 /nfs/dbraw/zinc/53/17/96/630531796.db2.gz MGNGUPRJHVSVAZ-PHIMTYICSA-N 1 1 293.298 1.653 10 5 CDBEMO C[C@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928448232 684875978 /nfs/dbraw/zinc/87/59/78/684875978.db2.gz MUFVECLBRWPNIZ-GXFFZTMASA-N 1 1 277.324 1.346 10 5 CDBEMO C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063627 684888448 /nfs/dbraw/zinc/88/84/48/684888448.db2.gz YZHQUYXVWGXSFV-HZMBPMFUSA-N 1 1 297.330 1.451 10 5 CDBEMO C[C@H]1[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000719383009 685772970 /nfs/dbraw/zinc/77/29/70/685772970.db2.gz YFUOGOTZODQCNN-GZMMTYOYSA-N 1 1 281.287 1.556 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928438528 686806445 /nfs/dbraw/zinc/80/64/45/686806445.db2.gz FXRODTVRAYXNQI-JOYOIKCWSA-N 1 1 293.323 1.426 10 5 CDBEMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000724871228 687680564 /nfs/dbraw/zinc/68/05/64/687680564.db2.gz DOWYXVKEYPFMPG-NXEZZACHSA-N 1 1 272.326 1.550 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000930059500 687899082 /nfs/dbraw/zinc/89/90/82/687899082.db2.gz XDPUXEOAEJWAAQ-SNVBAGLBSA-N 1 1 265.317 1.069 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000930059500 687899083 /nfs/dbraw/zinc/89/90/83/687899083.db2.gz XDPUXEOAEJWAAQ-SNVBAGLBSA-N 1 1 265.317 1.069 10 5 CDBEMO CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001645307881 1167388950 /nfs/dbraw/zinc/38/89/50/1167388950.db2.gz GJECBNPUPSOPBU-VIFPVBQESA-N 1 1 281.316 1.377 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)n1 ZINC001652490979 1171441225 /nfs/dbraw/zinc/44/12/25/1171441225.db2.gz FENGHOVNYWMLPA-LBPRGKRZSA-N 1 1 292.339 1.368 10 5 CDBEMO CC(C)(O)[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001653554174 1171551281 /nfs/dbraw/zinc/55/12/81/1171551281.db2.gz UILCPEGZSJRDRM-ZDUSSCGKSA-N 1 1 280.324 1.085 10 5 CDBEMO Cc1noc(C[N@@H+]2CC[C@]3(CCOC3=O)C2)c1[N+](=O)[O-] ZINC001655919837 1171744656 /nfs/dbraw/zinc/74/46/56/1171744656.db2.gz ZNDCDERYCMPHTO-LBPRGKRZSA-N 1 1 281.268 1.030 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@]3(CCOC3=O)C2)c1[N+](=O)[O-] ZINC001655919837 1171744664 /nfs/dbraw/zinc/74/46/64/1171744664.db2.gz ZNDCDERYCMPHTO-LBPRGKRZSA-N 1 1 281.268 1.030 10 5 CDBEMO CC[N@@H+]1CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001596958586 1174252206 /nfs/dbraw/zinc/25/22/06/1174252206.db2.gz NAENAQGNVWGVMA-GFCCVEGCSA-N 1 1 263.297 1.305 10 5 CDBEMO CC[N@H+]1CC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001596958586 1174252210 /nfs/dbraw/zinc/25/22/10/1174252210.db2.gz NAENAQGNVWGVMA-GFCCVEGCSA-N 1 1 263.297 1.305 10 5 CDBEMO CC(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001700277266 1176829795 /nfs/dbraw/zinc/82/97/95/1176829795.db2.gz YCDDMGXGRTWPBS-VXGBXAGGSA-N 1 1 283.372 1.278 10 5 CDBEMO CC/C=C\CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715820272 1179847020 /nfs/dbraw/zinc/84/70/20/1179847020.db2.gz VERADQUSAFJFEV-NTQVKLLNSA-N 1 1 283.372 1.398 10 5 CDBEMO CC/C=C\CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715820272 1179847029 /nfs/dbraw/zinc/84/70/29/1179847029.db2.gz VERADQUSAFJFEV-NTQVKLLNSA-N 1 1 283.372 1.398 10 5 CDBEMO CC/C=C\CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715820272 1179847042 /nfs/dbraw/zinc/84/70/42/1179847042.db2.gz VERADQUSAFJFEV-NTQVKLLNSA-N 1 1 283.372 1.398 10 5 CDBEMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001731332891 1182324250 /nfs/dbraw/zinc/32/42/50/1182324250.db2.gz APQPULHCQCDPOO-VXGBXAGGSA-N 1 1 269.345 1.031 10 5 CDBEMO CC(C)[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001731332891 1182324257 /nfs/dbraw/zinc/32/42/57/1182324257.db2.gz APQPULHCQCDPOO-VXGBXAGGSA-N 1 1 269.345 1.031 10 5 CDBEMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001731332891 1182324265 /nfs/dbraw/zinc/32/42/65/1182324265.db2.gz APQPULHCQCDPOO-VXGBXAGGSA-N 1 1 269.345 1.031 10 5 CDBEMO Cc1c(CN2CC[N@@H+](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000687594964 934335929 /nfs/dbraw/zinc/33/59/29/934335929.db2.gz QJHBPEWZGJGGSF-ZDUSSCGKSA-N 1 1 279.340 1.012 10 5 CDBEMO Cc1c(CN2CC[N@H+](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000687594964 934335939 /nfs/dbraw/zinc/33/59/39/934335939.db2.gz QJHBPEWZGJGGSF-ZDUSSCGKSA-N 1 1 279.340 1.012 10 5 CDBEMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C(C)(C)C ZINC001163924929 939354341 /nfs/dbraw/zinc/35/43/41/939354341.db2.gz NNHLSASPHAFHQZ-LBPRGKRZSA-N 1 1 294.355 1.725 10 5 CDBEMO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001263623204 943917876 /nfs/dbraw/zinc/91/78/76/943917876.db2.gz LGZFGEBBCUDDRK-GWCFXTLKSA-N 1 1 290.335 1.797 10 5 CDBEMO CC[N@@H+]1CC[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001297645158 955056679 /nfs/dbraw/zinc/05/66/79/955056679.db2.gz FJMCGLVQZYGWMM-AWEZNQCLSA-N 1 1 291.351 1.690 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001297645158 955056693 /nfs/dbraw/zinc/05/66/93/955056693.db2.gz FJMCGLVQZYGWMM-AWEZNQCLSA-N 1 1 291.351 1.690 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3ccncc3[N+](=O)[O-])CC[C@H]21 ZINC001348546430 966051306 /nfs/dbraw/zinc/05/13/06/966051306.db2.gz HIPYOUBPMMAUCI-WDEREUQCSA-N 1 1 262.313 1.520 10 5 CDBEMO C[N@@H+]1CC[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001458615162 969321172 /nfs/dbraw/zinc/32/11/72/969321172.db2.gz DAGKNMIYALULLZ-MRVPVSSYSA-N 1 1 266.257 1.619 10 5 CDBEMO C[N@H+]1CC[C@@H]1CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001458615162 969321176 /nfs/dbraw/zinc/32/11/76/969321176.db2.gz DAGKNMIYALULLZ-MRVPVSSYSA-N 1 1 266.257 1.619 10 5 CDBEMO Cc1ccnc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1[N+](=O)[O-] ZINC001472893801 970722247 /nfs/dbraw/zinc/72/22/47/970722247.db2.gz BIFPICPSDXWUSR-QWRGUYRKSA-N 1 1 280.303 1.531 10 5 CDBEMO Cc1ccnc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1[N+](=O)[O-] ZINC001472893801 970722252 /nfs/dbraw/zinc/72/22/52/970722252.db2.gz BIFPICPSDXWUSR-QWRGUYRKSA-N 1 1 280.303 1.531 10 5 CDBEMO O=[N+]([O-])c1ccccc1N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001472894249 970723467 /nfs/dbraw/zinc/72/34/67/970723467.db2.gz RGGSZWFOENHVHI-QWRGUYRKSA-N 1 1 265.288 1.827 10 5 CDBEMO O=[N+]([O-])c1ccccc1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001472894249 970723469 /nfs/dbraw/zinc/72/34/69/970723469.db2.gz RGGSZWFOENHVHI-QWRGUYRKSA-N 1 1 265.288 1.827 10 5 CDBEMO COC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000611521060 346809381 /nfs/dbraw/zinc/80/93/81/346809381.db2.gz KQKZJVQDMNLWLP-LBPRGKRZSA-N 1 1 272.276 1.221 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000611528132 346812904 /nfs/dbraw/zinc/81/29/04/346812904.db2.gz FHPGBOOETREZGW-SECBINFHSA-N 1 1 278.312 1.001 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339772118 361925634 /nfs/dbraw/zinc/92/56/34/361925634.db2.gz MYQIXTAZRDNUQC-CYBMUJFWSA-N 1 1 294.355 1.682 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000339772118 361925638 /nfs/dbraw/zinc/92/56/38/361925638.db2.gz MYQIXTAZRDNUQC-CYBMUJFWSA-N 1 1 294.355 1.682 10 5 CDBEMO [NH3+]C[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724976 342829414 /nfs/dbraw/zinc/82/94/14/342829414.db2.gz DCLKNJDUEUJZMM-SECBINFHSA-N 1 1 251.286 1.081 10 5 CDBEMO CC(C)(C)[C@@H](C[NH3+])NCc1cc(O)ccc1[N+](=O)[O-] ZINC000593728098 342829937 /nfs/dbraw/zinc/82/99/37/342829937.db2.gz ZZNZSDZRNVXSFN-GFCCVEGCSA-N 1 1 267.329 1.763 10 5 CDBEMO C[NH2+]CCOCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000600730215 342245828 /nfs/dbraw/zinc/24/58/28/342245828.db2.gz ZRLQOUXUMHHRPF-UHFFFAOYSA-N 1 1 297.355 1.271 10 5 CDBEMO Cc1noc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595349109 343045602 /nfs/dbraw/zinc/04/56/02/343045602.db2.gz YJXDZRRUWZKCLK-GXSJLCMTSA-N 1 1 282.344 1.806 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000247081953 362084678 /nfs/dbraw/zinc/08/46/78/362084678.db2.gz HWVYQMQQMPJAHV-FZMZJTMJSA-N 1 1 289.335 1.904 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595756418 343142263 /nfs/dbraw/zinc/14/22/63/343142263.db2.gz GLTQPSRQFFQPJL-SMDDNHRTSA-N 1 1 278.308 1.560 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595753297 343153105 /nfs/dbraw/zinc/15/31/05/343153105.db2.gz YLTJHFADZQMMNH-ZDUSSCGKSA-N 1 1 280.328 1.028 10 5 CDBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595827656 343167636 /nfs/dbraw/zinc/16/76/36/343167636.db2.gz CUQRGTLZOHXQKF-STQMWFEESA-N 1 1 292.335 1.942 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(COC3)C2)cs1 ZINC000595836555 343171652 /nfs/dbraw/zinc/17/16/52/343171652.db2.gz ZTKYGXYECDTCTG-UHFFFAOYSA-N 1 1 254.311 1.879 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC3(COC3)C2)cs1 ZINC000595836555 343171654 /nfs/dbraw/zinc/17/16/54/343171654.db2.gz ZTKYGXYECDTCTG-UHFFFAOYSA-N 1 1 254.311 1.879 10 5 CDBEMO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000598684368 343865081 /nfs/dbraw/zinc/86/50/81/343865081.db2.gz WIDFZLHXKVOVFP-BXUZGUMPSA-N 1 1 277.324 1.614 10 5 CDBEMO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000599053632 343945951 /nfs/dbraw/zinc/94/59/51/343945951.db2.gz FQAAWCTZRXEAMI-MFKMUULPSA-N 1 1 290.323 1.713 10 5 CDBEMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000292869535 362506278 /nfs/dbraw/zinc/50/62/78/362506278.db2.gz AXJNNKCYWZOVEC-NTZNESFSSA-N 1 1 280.324 1.675 10 5 CDBEMO O=[N+]([O-])c1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000610910049 346487106 /nfs/dbraw/zinc/48/71/06/346487106.db2.gz KKSKGLYKCVWOIZ-LBPRGKRZSA-N 1 1 297.380 1.563 10 5 CDBEMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611088186 346603239 /nfs/dbraw/zinc/60/32/39/346603239.db2.gz IOQOYDRIEXZZJG-SNVBAGLBSA-N 1 1 278.312 1.156 10 5 CDBEMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611088186 346603242 /nfs/dbraw/zinc/60/32/42/346603242.db2.gz IOQOYDRIEXZZJG-SNVBAGLBSA-N 1 1 278.312 1.156 10 5 CDBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157318079 188309442 /nfs/dbraw/zinc/30/94/42/188309442.db2.gz YELSITOKCJMRAQ-JTQLQIEISA-N 1 1 292.339 1.249 10 5 CDBEMO CC[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000134478944 356322839 /nfs/dbraw/zinc/32/28/39/356322839.db2.gz OUIBNENQJPYWAW-GFCCVEGCSA-N 1 1 280.328 1.431 10 5 CDBEMO CC[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000134478944 356322843 /nfs/dbraw/zinc/32/28/43/356322843.db2.gz OUIBNENQJPYWAW-GFCCVEGCSA-N 1 1 280.328 1.431 10 5 CDBEMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000136960257 356604966 /nfs/dbraw/zinc/60/49/66/356604966.db2.gz QFRXOCJXAFAZLI-CYBMUJFWSA-N 1 1 250.298 1.970 10 5 CDBEMO CC(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000120228442 357362802 /nfs/dbraw/zinc/36/28/02/357362802.db2.gz CWAUKHRNNBOROK-UHFFFAOYSA-N 1 1 277.324 1.696 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000408069531 357804817 /nfs/dbraw/zinc/80/48/17/357804817.db2.gz 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/nfs/dbraw/zinc/14/65/77/935146577.db2.gz SHUNPCMNAIGQNW-NEPJUHHUSA-N 1 1 294.380 1.982 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001473694125 970834349 /nfs/dbraw/zinc/83/43/49/970834349.db2.gz ZIHQLRHTCGBDGF-SCVCMEIPSA-N 1 1 276.292 1.761 10 5 CDBEMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001520876897 970235114 /nfs/dbraw/zinc/23/51/14/970235114.db2.gz JDXKSHUTHRSZDX-DLOVCJGASA-N 1 1 292.339 1.003 10 5 CDBEMO CC(C)C[N@@H+](C)CCCNc1ccncc1[N+](=O)[O-] ZINC000593480625 342801252 /nfs/dbraw/zinc/80/12/52/342801252.db2.gz UOYZGOHMAHSYBT-UHFFFAOYSA-N 1 1 266.345 1.802 10 5 CDBEMO C[NH2+][C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725152 342829252 /nfs/dbraw/zinc/82/92/52/342829252.db2.gz FNVMJBDJFVTSFG-SNVBAGLBSA-N 1 1 251.286 1.094 10 5 CDBEMO CC(C)(O)C[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000400279517 349702205 /nfs/dbraw/zinc/70/22/05/349702205.db2.gz ZXRWLZKLTJVKRI-UHFFFAOYSA-N 1 1 298.318 1.022 10 5 CDBEMO Cc1noc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595450891 343065767 /nfs/dbraw/zinc/06/57/67/343065767.db2.gz FCUMIRRKHBLFDF-YUMQZZPRSA-N 1 1 269.301 1.625 10 5 CDBEMO C[C@@H]1COC2(CCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595679374 343130231 /nfs/dbraw/zinc/13/02/31/343130231.db2.gz DRONBOWCCOEAJS-LLVKDONJSA-N 1 1 280.328 1.435 10 5 CDBEMO C[C@@H]1COC2(CCC2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595679374 343130232 /nfs/dbraw/zinc/13/02/32/343130232.db2.gz DRONBOWCCOEAJS-LLVKDONJSA-N 1 1 280.328 1.435 10 5 CDBEMO CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596456103 343316372 /nfs/dbraw/zinc/31/63/72/343316372.db2.gz BLRAYNPZTIDDCW-SNVBAGLBSA-N 1 1 280.328 1.479 10 5 CDBEMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000100633590 529831806 /nfs/dbraw/zinc/83/18/06/529831806.db2.gz GIIYNQKTYHZSAK-DEZZGGKRSA-N 1 1 289.335 1.950 10 5 CDBEMO COc1ccc(C[N@H+]2CCC[C@H](O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000295097121 199343145 /nfs/dbraw/zinc/34/31/45/199343145.db2.gz ULSGADFXSYOVPD-GWCFXTLKSA-N 1 1 280.324 1.949 10 5 CDBEMO COC[C@](C)(CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000611479875 346797995 /nfs/dbraw/zinc/79/79/95/346797995.db2.gz IPHYHHAGRHAAPV-JTQLQIEISA-N 1 1 260.315 1.143 10 5 CDBEMO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1F ZINC000611501642 346805901 /nfs/dbraw/zinc/80/59/01/346805901.db2.gz GDVNADRWUVTQQT-UWVGGRQHSA-N 1 1 256.281 1.471 10 5 CDBEMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1F ZINC000611501642 346805904 /nfs/dbraw/zinc/80/59/04/346805904.db2.gz GDVNADRWUVTQQT-UWVGGRQHSA-N 1 1 256.281 1.471 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](OC(F)F)C2)n1 ZINC000558863094 356051703 /nfs/dbraw/zinc/05/17/03/356051703.db2.gz IYLSNGRZNZBMAO-QMMMGPOBSA-N 1 1 276.243 1.105 10 5 CDBEMO CC[N@H+]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000389375292 359050908 /nfs/dbraw/zinc/05/09/08/359050908.db2.gz MEAVKGOTBBJOAX-NSHDSACASA-N 1 1 267.304 1.918 10 5 CDBEMO CCN1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000389375292 359050911 /nfs/dbraw/zinc/05/09/11/359050911.db2.gz MEAVKGOTBBJOAX-NSHDSACASA-N 1 1 267.304 1.918 10 5 CDBEMO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000111815659 359265714 /nfs/dbraw/zinc/26/57/14/359265714.db2.gz ZIWHFCBVLKTQFC-VIFPVBQESA-N 1 1 264.203 1.608 10 5 CDBEMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000339357921 359384260 /nfs/dbraw/zinc/38/42/60/359384260.db2.gz OIXYNICYKFQTJB-SNVBAGLBSA-N 1 1 273.296 1.717 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2C2(O)CC2)c1 ZINC000573183570 361708213 /nfs/dbraw/zinc/70/82/13/361708213.db2.gz KHRSDNVTQMWARG-LBPRGKRZSA-N 1 1 280.328 1.171 10 5 CDBEMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000369105166 296073549 /nfs/dbraw/zinc/07/35/49/296073549.db2.gz RQKKYLGKCFNWQM-JHJVBQTASA-N 1 1 281.356 1.129 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](CC)C1 ZINC000389472112 369254903 /nfs/dbraw/zinc/25/49/03/369254903.db2.gz VCACUMAKOMIEJX-SNVBAGLBSA-N 1 1 267.333 1.626 10 5 CDBEMO Cc1nc(N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000368622671 374321700 /nfs/dbraw/zinc/32/17/00/374321700.db2.gz HOECSWZIYNHMRB-VIFPVBQESA-N 1 1 273.296 1.991 10 5 CDBEMO Cc1nc(N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000368622671 374321708 /nfs/dbraw/zinc/32/17/08/374321708.db2.gz HOECSWZIYNHMRB-VIFPVBQESA-N 1 1 273.296 1.991 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000368814503 374330302 /nfs/dbraw/zinc/33/03/02/374330302.db2.gz SQQRLFMIMVDSGY-CQSZACIVSA-N 1 1 277.324 1.111 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCN3CCOC[C@H]3C2)cc1 ZINC000368814503 374330311 /nfs/dbraw/zinc/33/03/11/374330311.db2.gz SQQRLFMIMVDSGY-CQSZACIVSA-N 1 1 277.324 1.111 10 5 CDBEMO COc1cc(C[N@H+]2CCC[C@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000352771015 375536195 /nfs/dbraw/zinc/53/61/95/375536195.db2.gz VOEKULFQQOGFSF-AWEZNQCLSA-N 1 1 280.324 1.950 10 5 CDBEMO CCNC(=O)C1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000347680494 377682033 /nfs/dbraw/zinc/68/20/33/377682033.db2.gz AYOYSUUFDYPJPW-UHFFFAOYSA-N 1 1 263.297 1.163 10 5 CDBEMO C[C@@H]1C[N@H+](CCO)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000450955454 390583068 /nfs/dbraw/zinc/58/30/68/390583068.db2.gz PVQYRMZMJYYNND-SNVBAGLBSA-N 1 1 283.303 1.237 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000450955454 390583070 /nfs/dbraw/zinc/58/30/70/390583070.db2.gz PVQYRMZMJYYNND-SNVBAGLBSA-N 1 1 283.303 1.237 10 5 CDBEMO Cc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000450957588 390583517 /nfs/dbraw/zinc/58/35/17/390583517.db2.gz UKICQEBSEYBJEX-NSHDSACASA-N 1 1 297.330 1.545 10 5 CDBEMO Cc1cc(N2CC[N@H+](CCO)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000450957588 390583520 /nfs/dbraw/zinc/58/35/20/390583520.db2.gz UKICQEBSEYBJEX-NSHDSACASA-N 1 1 297.330 1.545 10 5 CDBEMO CC(C)(C[NH+]1CCCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000452097384 391019764 /nfs/dbraw/zinc/01/97/64/391019764.db2.gz QQEJCFJKNMEEOH-UHFFFAOYSA-N 1 1 281.360 1.255 10 5 CDBEMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCOC1 ZINC000291393932 391010963 /nfs/dbraw/zinc/01/09/63/391010963.db2.gz BLPRORNPFNDHSQ-NSHDSACASA-N 1 1 268.317 1.291 10 5 CDBEMO C[C@H]1CC(C)(C)C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000412036877 391062460 /nfs/dbraw/zinc/06/24/60/391062460.db2.gz HHLAAXPPXYHZNH-CMPLNLGQSA-N 1 1 282.344 1.273 10 5 CDBEMO Cc1ccc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000449681534 391268442 /nfs/dbraw/zinc/26/84/42/391268442.db2.gz WBWRFUOJOWUKCF-OCCSQVGLSA-N 1 1 294.351 1.875 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000264796905 391491733 /nfs/dbraw/zinc/49/17/33/391491733.db2.gz BQCDHHSEIBINCI-LBPRGKRZSA-N 1 1 276.340 1.973 10 5 CDBEMO C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093334140 391680097 /nfs/dbraw/zinc/68/00/97/391680097.db2.gz KRTQOJIYHJIMFZ-RISCZKNCSA-N 1 1 280.324 1.676 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000342056318 130226485 /nfs/dbraw/zinc/22/64/85/130226485.db2.gz HLMYAHCPWAVSHD-GFCCVEGCSA-N 1 1 282.344 1.418 10 5 CDBEMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408311222 391904341 /nfs/dbraw/zinc/90/43/41/391904341.db2.gz XZINMDRCRWUCOH-VHSXEESVSA-N 1 1 252.318 1.949 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459645583 392496174 /nfs/dbraw/zinc/49/61/74/392496174.db2.gz LPKVVLYTBANGRW-RISCZKNCSA-N 1 1 280.324 1.475 10 5 CDBEMO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000548753940 392509426 /nfs/dbraw/zinc/50/94/26/392509426.db2.gz PGKYJWNEBNHFQP-DTORHVGOSA-N 1 1 263.297 1.676 10 5 CDBEMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000548753940 392509432 /nfs/dbraw/zinc/50/94/32/392509432.db2.gz PGKYJWNEBNHFQP-DTORHVGOSA-N 1 1 263.297 1.676 10 5 CDBEMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000420972456 392922499 /nfs/dbraw/zinc/92/24/99/392922499.db2.gz JTJYLRBWNNKGHA-LLVKDONJSA-N 1 1 293.323 1.171 10 5 CDBEMO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490086351 393198696 /nfs/dbraw/zinc/19/86/96/393198696.db2.gz IBMILJATXACKNX-CYBMUJFWSA-N 1 1 280.324 1.832 10 5 CDBEMO COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000490086351 393198701 /nfs/dbraw/zinc/19/87/01/393198701.db2.gz IBMILJATXACKNX-CYBMUJFWSA-N 1 1 280.324 1.832 10 5 CDBEMO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000036781561 393210644 /nfs/dbraw/zinc/21/06/44/393210644.db2.gz WPKWQFMOTIEDCH-JTQLQIEISA-N 1 1 265.313 1.770 10 5 CDBEMO C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093345021 147048088 /nfs/dbraw/zinc/04/80/88/147048088.db2.gz VWCZPBSFCRGFPU-RISCZKNCSA-N 1 1 264.325 1.840 10 5 CDBEMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000193418397 165044433 /nfs/dbraw/zinc/04/44/33/165044433.db2.gz VJYAJJRKXUHERE-GFCCVEGCSA-N 1 1 292.339 1.452 10 5 CDBEMO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000193418397 165044436 /nfs/dbraw/zinc/04/44/36/165044436.db2.gz VJYAJJRKXUHERE-GFCCVEGCSA-N 1 1 292.339 1.452 10 5 CDBEMO COc1ccc(NCCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000040639654 174363663 /nfs/dbraw/zinc/36/36/63/174363663.db2.gz CSAAOZTXHNJNEP-UHFFFAOYSA-N 1 1 276.296 1.992 10 5 CDBEMO Nc1c([N+](=O)[O-])cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043669923 175086696 /nfs/dbraw/zinc/08/66/96/175086696.db2.gz GGOJOVFDRLAUPY-LBPRGKRZSA-N 1 1 287.323 1.821 10 5 CDBEMO O=[N+]([O-])c1ccc(CCN2CCC[N@H+](CCO)CC2)cc1 ZINC000071350595 176133544 /nfs/dbraw/zinc/13/35/44/176133544.db2.gz BCTHDMKPPPMYEK-UHFFFAOYSA-N 1 1 293.367 1.137 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCN(CCO)CC2)cc1 ZINC000071350595 176133546 /nfs/dbraw/zinc/13/35/46/176133546.db2.gz BCTHDMKPPPMYEK-UHFFFAOYSA-N 1 1 293.367 1.137 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN(CCO)CC2)cc1 ZINC000071350595 176133548 /nfs/dbraw/zinc/13/35/48/176133548.db2.gz BCTHDMKPPPMYEK-UHFFFAOYSA-N 1 1 293.367 1.137 10 5 CDBEMO CC[N@H+]1CC[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000175731043 261243332 /nfs/dbraw/zinc/24/33/32/261243332.db2.gz VZOJTDUZIJWNBQ-CHWSQXEVSA-N 1 1 295.387 1.453 10 5 CDBEMO CCN1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000175731043 261243340 /nfs/dbraw/zinc/24/33/40/261243340.db2.gz VZOJTDUZIJWNBQ-CHWSQXEVSA-N 1 1 295.387 1.453 10 5 CDBEMO CCN1CC[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000175731043 261243342 /nfs/dbraw/zinc/24/33/42/261243342.db2.gz VZOJTDUZIJWNBQ-CHWSQXEVSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[N@@H+]1CC[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000175731043 261243350 /nfs/dbraw/zinc/24/33/50/261243350.db2.gz VZOJTDUZIJWNBQ-CHWSQXEVSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000175731043 261243354 /nfs/dbraw/zinc/24/33/54/261243354.db2.gz VZOJTDUZIJWNBQ-CHWSQXEVSA-N 1 1 295.387 1.453 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272539891 277081134 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C[C@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928448230 619098631 /nfs/dbraw/zinc/09/86/31/619098631.db2.gz MUFVECLBRWPNIZ-GWCFXTLKSA-N 1 1 277.324 1.346 10 5 CDBEMO C/C(=C/C(=O)NC[C@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928559652 619379998 /nfs/dbraw/zinc/37/99/98/619379998.db2.gz LQDQVVCYVVUFFU-RBJHHQRMSA-N 1 1 289.335 1.818 10 5 CDBEMO Cc1cc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)ncc1[N+](=O)[O-] ZINC000896914524 620305517 /nfs/dbraw/zinc/30/55/17/620305517.db2.gz JXNBVZBWJUTYHE-RISCZKNCSA-N 1 1 276.340 1.686 10 5 CDBEMO C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000921807665 633312560 /nfs/dbraw/zinc/31/25/60/633312560.db2.gz RNVAOJXIKKQOHZ-MNOVXSKESA-N 1 1 292.339 1.659 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@H]21 ZINC000866210248 695564688 /nfs/dbraw/zinc/56/46/88/695564688.db2.gz ZZXLGGJNCCNZGR-DTWKUNHWSA-N 1 1 268.342 1.582 10 5 CDBEMO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000720462786 695832729 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COc1ccc(OC)c([C@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000930186440 725628763 /nfs/dbraw/zinc/62/87/63/725628763.db2.gz XXILKLTZBMRHSR-VIFPVBQESA-N 1 1 254.286 1.631 10 5 CDBEMO O=[N+]([O-])c1cc(Cl)ccc1CN1CCNCC[NH2+]CC1 ZINC000923460613 725650940 /nfs/dbraw/zinc/65/09/40/725650940.db2.gz IFGWPVFAPRIKKM-UHFFFAOYSA-N 1 1 298.774 1.243 10 5 CDBEMO CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001481229223 899513140 /nfs/dbraw/zinc/51/31/40/899513140.db2.gz LRHGXFRAUHHTGH-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC([NH+]2CCCC2)C1 ZINC000828145281 926054053 /nfs/dbraw/zinc/05/40/53/926054053.db2.gz MNXNLAJECHLLCJ-UHFFFAOYSA-N 1 1 293.298 1.654 10 5 CDBEMO N[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000405371225 940985134 /nfs/dbraw/zinc/98/51/34/940985134.db2.gz ZEOSUFYICGMIGW-KGLIPLIRSA-N 1 1 275.352 1.997 10 5 CDBEMO [NH3+][C@@H]1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000405371225 940985137 /nfs/dbraw/zinc/98/51/37/940985137.db2.gz ZEOSUFYICGMIGW-KGLIPLIRSA-N 1 1 275.352 1.997 10 5 CDBEMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC1 ZINC001265113559 944233894 /nfs/dbraw/zinc/23/38/94/944233894.db2.gz RNASENDLNBVPPF-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCC1 ZINC001265113559 944233902 /nfs/dbraw/zinc/23/39/02/944233902.db2.gz RNASENDLNBVPPF-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCC1 ZINC001265113559 944233907 /nfs/dbraw/zinc/23/39/07/944233907.db2.gz RNASENDLNBVPPF-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480391594 971700243 /nfs/dbraw/zinc/70/02/43/971700243.db2.gz SRUXGAKGUOBCOZ-ARIMXAABSA-N 1 1 293.367 1.054 10 5 CDBEMO CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480391594 971700253 /nfs/dbraw/zinc/70/02/53/971700253.db2.gz SRUXGAKGUOBCOZ-ARIMXAABSA-N 1 1 293.367 1.054 10 5 CDBEMO CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001480391594 971700261 /nfs/dbraw/zinc/70/02/61/971700261.db2.gz SRUXGAKGUOBCOZ-ARIMXAABSA-N 1 1 293.367 1.054 10 5 CDBEMO CN(C)c1nc(N2Cc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC001318847467 958280231 /nfs/dbraw/zinc/28/02/31/958280231.db2.gz KZFXAELBBSGEBF-UHFFFAOYSA-N 1 1 285.307 1.971 10 5 CDBEMO CC1(C)CC(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001321058267 959565835 /nfs/dbraw/zinc/56/58/35/959565835.db2.gz WMXBDYYFAXBCTN-CDJBXZAQSA-N 1 1 295.383 1.350 10 5 CDBEMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001559522352 960785723 /nfs/dbraw/zinc/78/57/23/960785723.db2.gz FJSRJRGJLDYVKH-NSHDSACASA-N 1 1 292.339 1.467 10 5 CDBEMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001559522352 960785740 /nfs/dbraw/zinc/78/57/40/960785740.db2.gz FJSRJRGJLDYVKH-NSHDSACASA-N 1 1 292.339 1.467 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC001558875171 965365854 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C[N@@H+]1C[C@H]2[C@@H](CCN2CCOc2ccccc2[N+](=O)[O-])C1 ZINC000590010313 342519170 /nfs/dbraw/zinc/51/91/70/342519170.db2.gz AZWOJARFCYPXJR-JSGCOSHPSA-N 1 1 291.351 1.610 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590043485 342520359 /nfs/dbraw/zinc/52/03/59/342520359.db2.gz AHFAHDHNSLVNOI-TVQRCGJNSA-N 1 1 293.298 1.510 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590446069 342546520 /nfs/dbraw/zinc/54/65/20/342546520.db2.gz QZEUPCONUKFTTN-MFKMUULPSA-N 1 1 290.323 1.074 10 5 CDBEMO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590446113 342546532 /nfs/dbraw/zinc/54/65/32/342546532.db2.gz RWVPHLLJZBTGIR-RNCFNFMXSA-N 1 1 291.307 1.077 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590446113 342546533 /nfs/dbraw/zinc/54/65/33/342546533.db2.gz RWVPHLLJZBTGIR-RNCFNFMXSA-N 1 1 291.307 1.077 10 5 CDBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)[C@@H](C)C[N@@H+]1CCO ZINC000591370565 342629863 /nfs/dbraw/zinc/62/98/63/342629863.db2.gz DQCVVVQHRUGKJP-ZJUUUORDSA-N 1 1 285.369 1.548 10 5 CDBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)[C@@H](C)C[N@H+]1CCO ZINC000591370565 342629864 /nfs/dbraw/zinc/62/98/64/342629864.db2.gz DQCVVVQHRUGKJP-ZJUUUORDSA-N 1 1 285.369 1.548 10 5 CDBEMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000593724930 342829455 /nfs/dbraw/zinc/82/94/55/342829455.db2.gz BVLVDUIYKJWHJW-BXKDBHETSA-N 1 1 265.313 1.470 10 5 CDBEMO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592814 342922861 /nfs/dbraw/zinc/92/28/61/342922861.db2.gz YFNMNJXEDBZOQE-UTUOFQBUSA-N 1 1 294.355 1.899 10 5 CDBEMO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592814 342922862 /nfs/dbraw/zinc/92/28/62/342922862.db2.gz YFNMNJXEDBZOQE-UTUOFQBUSA-N 1 1 294.355 1.899 10 5 CDBEMO CC[C@@H]([NH2+][C@H]1CON(CC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000595421173 343054884 /nfs/dbraw/zinc/05/48/84/343054884.db2.gz UATFBRLEYQXWQN-OLZOCXBDSA-N 1 1 293.323 1.798 10 5 CDBEMO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cscn1 ZINC000595669537 343122450 /nfs/dbraw/zinc/12/24/50/343122450.db2.gz WIHCDAYAYGYCGU-MRVPVSSYSA-N 1 1 267.314 1.599 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000595783748 343155364 /nfs/dbraw/zinc/15/53/64/343155364.db2.gz RDDRDWXLUATNNJ-NSHDSACASA-N 1 1 277.324 1.820 10 5 CDBEMO O=c1[nH]ccc(N[C@H]2CCc3[nH]cnc3C2)c1[N+](=O)[O-] ZINC000596237203 343282918 /nfs/dbraw/zinc/28/29/18/343282918.db2.gz BBCJZOZZKXJRPI-ZETCQYMHSA-N 1 1 275.268 1.388 10 5 CDBEMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945050 343675326 /nfs/dbraw/zinc/67/53/26/343675326.db2.gz HAVIHFIXCCGBJI-LLVKDONJSA-N 1 1 293.323 1.467 10 5 CDBEMO CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945050 343675328 /nfs/dbraw/zinc/67/53/28/343675328.db2.gz HAVIHFIXCCGBJI-LLVKDONJSA-N 1 1 293.323 1.467 10 5 CDBEMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000120544743 362459297 /nfs/dbraw/zinc/45/92/97/362459297.db2.gz XYSYOWHMJSTPQA-ZDUSSCGKSA-N 1 1 277.324 1.825 10 5 CDBEMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])nc1 ZINC000344431750 362777310 /nfs/dbraw/zinc/77/73/10/362777310.db2.gz LBZPZXGESNQRKS-NSHDSACASA-N 1 1 264.329 1.768 10 5 CDBEMO CC(C)[N@H+]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000066810810 350877064 /nfs/dbraw/zinc/87/70/64/350877064.db2.gz BITOYDMFDYISRR-SNVBAGLBSA-N 1 1 250.302 1.884 10 5 CDBEMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187977813 357225846 /nfs/dbraw/zinc/22/58/46/357225846.db2.gz YBRTYFSPGPBWDS-WCQYABFASA-N 1 1 282.344 1.274 10 5 CDBEMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000186777911 357688098 /nfs/dbraw/zinc/68/80/98/357688098.db2.gz YWWZKNMEPCRHKD-UHFFFAOYSA-N 1 1 264.325 1.842 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000194607109 358383653 /nfs/dbraw/zinc/38/36/53/358383653.db2.gz ZEARRWDZWHPSOI-GFCCVEGCSA-N 1 1 289.335 1.823 10 5 CDBEMO CC[C@@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450823865 359007299 /nfs/dbraw/zinc/00/72/99/359007299.db2.gz CMMAVACKZHJTNF-LLVKDONJSA-N 1 1 264.329 1.910 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000451897564 359261862 /nfs/dbraw/zinc/26/18/62/359261862.db2.gz HPOPJXNOHCKBLX-ZDUSSCGKSA-N 1 1 280.328 1.294 10 5 CDBEMO COc1cc(C[N@H+]2CCC[C@@H](O)CC2)ccc1[N+](=O)[O-] ZINC000339778686 359437497 /nfs/dbraw/zinc/43/74/97/359437497.db2.gz DNYBATHRBIQBTQ-GFCCVEGCSA-N 1 1 280.324 1.950 10 5 CDBEMO CN(C)c1nc(NCCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000340082774 359552585 /nfs/dbraw/zinc/55/25/85/359552585.db2.gz OVJHAOVFSLLRBS-UHFFFAOYSA-N 1 1 287.323 1.527 10 5 CDBEMO CC(C)(C)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1O ZINC000347787196 359646973 /nfs/dbraw/zinc/64/69/73/359646973.db2.gz HSOZYIBQUYSXCT-NEPJUHHUSA-N 1 1 296.371 1.520 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCCCO)CC2 ZINC000347790149 359647650 /nfs/dbraw/zinc/64/76/50/359647650.db2.gz SOKNSHOVXPTNBY-UHFFFAOYSA-N 1 1 265.313 1.511 10 5 CDBEMO COc1cc(C[N@@H+](C)CCCO)ccc1[N+](=O)[O-] ZINC000440942663 367141370 /nfs/dbraw/zinc/14/13/70/367141370.db2.gz GHQBKWMLGCDRSJ-UHFFFAOYSA-N 1 1 254.286 1.418 10 5 CDBEMO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415015422 241518364 /nfs/dbraw/zinc/51/83/64/241518364.db2.gz NAXDTCWHKCCTOS-GMTAPVOTSA-N 1 1 294.355 1.637 10 5 CDBEMO C[C@@H](N)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415015422 241518369 /nfs/dbraw/zinc/51/83/69/241518369.db2.gz NAXDTCWHKCCTOS-GMTAPVOTSA-N 1 1 294.355 1.637 10 5 CDBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000348347583 367206386 /nfs/dbraw/zinc/20/63/86/367206386.db2.gz KHQIRLFWKFWXMB-CYBMUJFWSA-N 1 1 250.298 1.858 10 5 CDBEMO C[N@@H+](CCCCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000276459829 193339031 /nfs/dbraw/zinc/33/90/31/193339031.db2.gz XEUMSYNZDJDVDX-UHFFFAOYSA-N 1 1 295.339 1.628 10 5 CDBEMO Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000368010233 371365865 /nfs/dbraw/zinc/36/58/65/371365865.db2.gz ZMBRPVZOTOHCBB-NSHDSACASA-N 1 1 299.277 1.582 10 5 CDBEMO C[C@@H]1C[C@H](N(C)c2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000266213794 373975281 /nfs/dbraw/zinc/97/52/81/373975281.db2.gz GRDAOROOMRFKAK-NXEZZACHSA-N 1 1 267.333 1.247 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000298729505 374083725 /nfs/dbraw/zinc/08/37/25/374083725.db2.gz OGMHLMAFIHMADO-LLVKDONJSA-N 1 1 294.307 1.469 10 5 CDBEMO C[N@H+](CCCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000276692375 374744007 /nfs/dbraw/zinc/74/40/07/374744007.db2.gz SCTAJBRTNBCVJQ-UHFFFAOYSA-N 1 1 256.277 1.938 10 5 CDBEMO C[N@@H+](CCCCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000276692375 374744010 /nfs/dbraw/zinc/74/40/10/374744010.db2.gz SCTAJBRTNBCVJQ-UHFFFAOYSA-N 1 1 256.277 1.938 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CCO)[C@@H](C)C1 ZINC000331123042 374890111 /nfs/dbraw/zinc/89/01/11/374890111.db2.gz BUQLSWFYFGVHGT-QWHCGFSZSA-N 1 1 293.367 1.654 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000471802964 375056522 /nfs/dbraw/zinc/05/65/22/375056522.db2.gz DYSJGIHJQMUMFW-ZWNOBZJWSA-N 1 1 250.298 1.858 10 5 CDBEMO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000358223105 375958490 /nfs/dbraw/zinc/95/84/90/375958490.db2.gz JNIBBGHVSIRZHN-UWVGGRQHSA-N 1 1 286.353 1.679 10 5 CDBEMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc[nH]n1 ZINC000357888957 375938041 /nfs/dbraw/zinc/93/80/41/375938041.db2.gz FNHVVGVSZOHIET-UHFFFAOYSA-N 1 1 260.297 1.992 10 5 CDBEMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc[nH]n1 ZINC000357888957 375938047 /nfs/dbraw/zinc/93/80/47/375938047.db2.gz FNHVVGVSZOHIET-UHFFFAOYSA-N 1 1 260.297 1.992 10 5 CDBEMO COc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451623178 390635162 /nfs/dbraw/zinc/63/51/62/390635162.db2.gz IPWCWXOQUHKOBD-GXTWGEPZSA-N 1 1 291.351 1.739 10 5 CDBEMO C[C@@]12C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451370026 390614370 /nfs/dbraw/zinc/61/43/70/390614370.db2.gz NZJOLEUGAOZNLM-COMQUAJESA-N 1 1 288.351 1.935 10 5 CDBEMO COC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000452092319 391019055 /nfs/dbraw/zinc/01/90/55/391019055.db2.gz UKWDNJVYDSDMQO-GFCCVEGCSA-N 1 1 282.344 1.540 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1ccccn1)CC2 ZINC000411480254 390966601 /nfs/dbraw/zinc/96/66/01/390966601.db2.gz NYJPWLZWUOGRQB-UHFFFAOYSA-N 1 1 284.319 1.986 10 5 CDBEMO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000548753758 392506816 /nfs/dbraw/zinc/50/68/16/392506816.db2.gz IFEJENMGILQAPO-GHMZBOCLSA-N 1 1 289.335 1.967 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425290496 393017260 /nfs/dbraw/zinc/01/72/60/393017260.db2.gz XRZHPRJPUBSEFP-NWDGAFQWSA-N 1 1 293.371 1.650 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cs1 ZINC000425351977 393020429 /nfs/dbraw/zinc/02/04/29/393020429.db2.gz HEMUGYKJKJWBPQ-VIFPVBQESA-N 1 1 279.325 1.764 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)cs1 ZINC000425351977 393020434 /nfs/dbraw/zinc/02/04/34/393020434.db2.gz HEMUGYKJKJWBPQ-VIFPVBQESA-N 1 1 279.325 1.764 10 5 CDBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351825682 393205939 /nfs/dbraw/zinc/20/59/39/393205939.db2.gz IXESDATWZLTVLR-VHSXEESVSA-N 1 1 295.314 1.820 10 5 CDBEMO C[C@@H]1C[C@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CCN1C ZINC000176261965 148032649 /nfs/dbraw/zinc/03/26/49/148032649.db2.gz PKOFQPGZVLNPTJ-VXGBXAGGSA-N 1 1 281.360 1.206 10 5 CDBEMO C[C@@H]1C[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000176261965 148032651 /nfs/dbraw/zinc/03/26/51/148032651.db2.gz PKOFQPGZVLNPTJ-VXGBXAGGSA-N 1 1 281.360 1.206 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000366627314 159387530 /nfs/dbraw/zinc/38/75/30/159387530.db2.gz DSONYLONNVCPEJ-CYBMUJFWSA-N 1 1 262.309 1.594 10 5 CDBEMO CCCC(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001665244534 1172966815 /nfs/dbraw/zinc/96/68/15/1172966815.db2.gz QWKAIYOJJLUWIJ-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000247466056 274375644 /nfs/dbraw/zinc/37/56/44/274375644.db2.gz RGRGAYRDIBSPSE-ZJUUUORDSA-N 1 1 279.296 1.497 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000489883910 274686523 /nfs/dbraw/zinc/68/65/23/274686523.db2.gz JDWZIUBHTMOILW-LBPRGKRZSA-N 1 1 294.355 1.109 10 5 CDBEMO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[N@H+](CCO)CC1 ZINC000123125612 275035586 /nfs/dbraw/zinc/03/55/86/275035586.db2.gz QGMYJQHFISSLHS-UHFFFAOYSA-N 1 1 299.758 1.753 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000302792640 276078733 /nfs/dbraw/zinc/07/87/33/276078733.db2.gz ZGTUGVXTJJGKRV-JTQLQIEISA-N 1 1 250.302 1.520 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000371802535 280360553 /nfs/dbraw/zinc/36/05/53/280360553.db2.gz LEGQGIVYLHJBQA-LLVKDONJSA-N 1 1 281.287 1.255 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000371802535 280360557 /nfs/dbraw/zinc/36/05/57/280360557.db2.gz LEGQGIVYLHJBQA-LLVKDONJSA-N 1 1 281.287 1.255 10 5 CDBEMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000453011260 280375912 /nfs/dbraw/zinc/37/59/12/280375912.db2.gz HMWBIKPVZWKWHV-QWHCGFSZSA-N 1 1 292.335 1.819 10 5 CDBEMO CC(C)NC(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153327615 289164661 /nfs/dbraw/zinc/16/46/61/289164661.db2.gz DSTSTYBXCPKXCR-UHFFFAOYSA-N 1 1 291.351 1.868 10 5 CDBEMO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000293438807 534473426 /nfs/dbraw/zinc/47/34/26/534473426.db2.gz OLQPMRNIBHKKTD-RKDXNWHRSA-N 1 1 263.297 1.534 10 5 CDBEMO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000293438807 534473434 /nfs/dbraw/zinc/47/34/34/534473434.db2.gz OLQPMRNIBHKKTD-RKDXNWHRSA-N 1 1 263.297 1.534 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCSc1ccc([N+](=O)[O-])cc1 ZINC000062596669 521259973 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Cc1noc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595447854 343053668 /nfs/dbraw/zinc/05/36/68/343053668.db2.gz GCRKKVHKOGDMRX-RNCFNFMXSA-N 1 1 283.328 1.874 10 5 CDBEMO Cc1noc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000595461964 343070930 /nfs/dbraw/zinc/07/09/30/343070930.db2.gz ZWFFBDMUSMKUAC-MGCOHNPYSA-N 1 1 269.301 1.627 10 5 CDBEMO Cc1noc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1[N+](=O)[O-] ZINC000595461964 343070932 /nfs/dbraw/zinc/07/09/32/343070932.db2.gz ZWFFBDMUSMKUAC-MGCOHNPYSA-N 1 1 269.301 1.627 10 5 CDBEMO Cc1noc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000595512894 343082153 /nfs/dbraw/zinc/08/21/53/343082153.db2.gz XPVYRGHXSHWBLB-ZDUSSCGKSA-N 1 1 280.328 1.419 10 5 CDBEMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595524776 343089035 /nfs/dbraw/zinc/08/90/35/343089035.db2.gz MPZRDIBATVBOBN-ZJUUUORDSA-N 1 1 269.301 1.484 10 5 CDBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C[NH3+])C(F)(F)F ZINC000595909838 343189470 /nfs/dbraw/zinc/18/94/70/343189470.db2.gz SUOQNDBGILVFHU-SNVBAGLBSA-N 1 1 293.245 1.622 10 5 CDBEMO COC[C@@H]1CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293474024 362561089 /nfs/dbraw/zinc/56/10/89/362561089.db2.gz FENGGBNMINQMHV-QWHCGFSZSA-N 1 1 266.297 1.349 10 5 CDBEMO COC[C@@H]1CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293474024 362561091 /nfs/dbraw/zinc/56/10/91/362561091.db2.gz FENGGBNMINQMHV-QWHCGFSZSA-N 1 1 266.297 1.349 10 5 CDBEMO C[C@](CO)([NH2+]Cc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC001659774238 1172135801 /nfs/dbraw/zinc/13/58/01/1172135801.db2.gz YEHGLHAJPTUUSL-CYBMUJFWSA-N 1 1 276.296 1.315 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000125178308 351407880 /nfs/dbraw/zinc/40/78/80/351407880.db2.gz RSMSLICSINVQDY-UHFFFAOYSA-N 1 1 289.335 1.823 10 5 CDBEMO Cc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090512225 358478502 /nfs/dbraw/zinc/47/85/02/358478502.db2.gz BKSSJJWKRZNYOP-UHFFFAOYSA-N 1 1 291.307 1.790 10 5 CDBEMO Cc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000090512225 358478505 /nfs/dbraw/zinc/47/85/05/358478505.db2.gz BKSSJJWKRZNYOP-UHFFFAOYSA-N 1 1 291.307 1.790 10 5 CDBEMO CC1(C)[C@@H](O)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361416757 358182692 /nfs/dbraw/zinc/18/26/92/358182692.db2.gz UNNYHSHDHFVISM-LBPRGKRZSA-N 1 1 290.323 1.816 10 5 CDBEMO CC1(C)[C@@H](O)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361416757 358182695 /nfs/dbraw/zinc/18/26/95/358182695.db2.gz UNNYHSHDHFVISM-LBPRGKRZSA-N 1 1 290.323 1.816 10 5 CDBEMO C[N@@H+](CCCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000276353799 193296777 /nfs/dbraw/zinc/29/67/77/193296777.db2.gz JCLDDPFXMGJSKC-CYBMUJFWSA-N 1 1 268.313 1.333 10 5 CDBEMO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000037740276 370038157 /nfs/dbraw/zinc/03/81/57/370038157.db2.gz KEMCEGNOJCHKKO-SECBINFHSA-N 1 1 272.326 1.290 10 5 CDBEMO C[C@@H]1CCCC[N@H+]1CCNc1c([N+](=O)[O-])ncn1C ZINC000298682546 373764452 /nfs/dbraw/zinc/76/44/52/373764452.db2.gz AUQZJGSUMSCJPH-SNVBAGLBSA-N 1 1 267.333 1.615 10 5 CDBEMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000352768971 375537358 /nfs/dbraw/zinc/53/73/58/375537358.db2.gz LEYRVMKUHNIMFR-BXKDBHETSA-N 1 1 266.297 1.416 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1N1CCC[N@H+](CCO)CC1 ZINC000071349742 285118928 /nfs/dbraw/zinc/11/89/28/285118928.db2.gz XMKLOXRPBCDBCP-UHFFFAOYSA-N 1 1 283.303 1.238 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305835686 390884091 /nfs/dbraw/zinc/88/40/91/390884091.db2.gz FSIJNHDMAONUMZ-CMPLNLGQSA-N 1 1 280.324 1.806 10 5 CDBEMO CCNC(=O)C1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459605982 392491160 /nfs/dbraw/zinc/49/11/60/392491160.db2.gz MWSZDOJJFCNJGX-FNORWQNLSA-N 1 1 289.335 1.676 10 5 CDBEMO CNC(=O)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420975030 392923871 /nfs/dbraw/zinc/92/38/71/392923871.db2.gz NNOUAQBPWIJWQS-VIFPVBQESA-N 1 1 281.287 1.302 10 5 CDBEMO CNC(=O)[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420975030 392923876 /nfs/dbraw/zinc/92/38/76/392923876.db2.gz NNOUAQBPWIJWQS-VIFPVBQESA-N 1 1 281.287 1.302 10 5 CDBEMO Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC000284969399 393193529 /nfs/dbraw/zinc/19/35/29/393193529.db2.gz KOMXRQXCIOOHHD-STQMWFEESA-N 1 1 292.339 1.208 10 5 CDBEMO Cc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195310572 140152232 /nfs/dbraw/zinc/15/22/32/140152232.db2.gz ZAYPUNDXARTBGA-ZDUSSCGKSA-N 1 1 289.335 1.823 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000451229994 292295410 /nfs/dbraw/zinc/29/54/10/292295410.db2.gz AVJMBURDVGTLEP-DGCLKSJQSA-N 1 1 280.324 1.657 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000451229994 292295411 /nfs/dbraw/zinc/29/54/11/292295411.db2.gz AVJMBURDVGTLEP-DGCLKSJQSA-N 1 1 280.324 1.657 10 5 CDBEMO COc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000356101889 157354934 /nfs/dbraw/zinc/35/49/34/157354934.db2.gz VHIBPTGZJXNFLI-JTQLQIEISA-N 1 1 293.323 1.427 10 5 CDBEMO CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(N)=O ZINC000040674481 174373031 /nfs/dbraw/zinc/37/30/31/174373031.db2.gz DLXRKXVJHSQLLQ-UHFFFAOYSA-N 1 1 271.704 1.602 10 5 CDBEMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398507485 270355036 /nfs/dbraw/zinc/35/50/36/270355036.db2.gz KVNQCMACNRTAKO-JTQLQIEISA-N 1 1 281.287 1.302 10 5 CDBEMO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](C)CC2)c1 ZINC000301345035 274095675 /nfs/dbraw/zinc/09/56/75/274095675.db2.gz JYNCSUNIOBDUDD-UHFFFAOYSA-N 1 1 269.276 1.494 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000302835485 276077532 /nfs/dbraw/zinc/07/75/32/276077532.db2.gz VLIBGLUIHAIBOW-LLVKDONJSA-N 1 1 264.329 1.829 10 5 CDBEMO Cc1ccnc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000285201886 302274156 /nfs/dbraw/zinc/27/41/56/302274156.db2.gz WPFUYHDDLIOONG-NWDGAFQWSA-N 1 1 292.339 1.208 10 5 CDBEMO CC[N@H+]1CC[C@H](CNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455164 521717948 /nfs/dbraw/zinc/71/79/48/521717948.db2.gz JEOCADZKWOAYFO-MRVPVSSYSA-N 1 1 285.735 1.792 10 5 CDBEMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000050708069 523840601 /nfs/dbraw/zinc/84/06/01/523840601.db2.gz HJOLNGHYQXDZCR-SNVBAGLBSA-N 1 1 292.339 1.249 10 5 CDBEMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928434649 619075803 /nfs/dbraw/zinc/07/58/03/619075803.db2.gz WSPCWKLNYBOBTO-ONGXEEELSA-N 1 1 295.314 1.865 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000902925956 625639924 /nfs/dbraw/zinc/63/99/24/625639924.db2.gz QSJQJSWOIBRFGN-SKDRFNHKSA-N 1 1 278.312 1.809 10 5 CDBEMO CC1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000903557302 626025057 /nfs/dbraw/zinc/02/50/57/626025057.db2.gz MYPUPGZBOTXBEM-LBPRGKRZSA-N 1 1 265.313 1.470 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)C1(O)CCC1)C2 ZINC000930098879 632679894 /nfs/dbraw/zinc/67/98/94/632679894.db2.gz GXAQLXXZEOQSIH-CQSZACIVSA-N 1 1 292.335 1.229 10 5 CDBEMO C[N@H+](CCNC(=O)C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001567269653 1168645573 /nfs/dbraw/zinc/64/55/73/1168645573.db2.gz SPZSWFVKZBIEGB-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO C[N@@H+](CCNC(=O)C1CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001567269653 1168645580 /nfs/dbraw/zinc/64/55/80/1168645580.db2.gz SPZSWFVKZBIEGB-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO Nc1[nH+]ccc2c1CN(c1ccc([N+](=O)[O-])cn1)CC2 ZINC001651509595 1171329813 /nfs/dbraw/zinc/32/98/13/1171329813.db2.gz LUCCEOLLLXMLKC-UHFFFAOYSA-N 1 1 271.280 1.530 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000231668056 1178173366 /nfs/dbraw/zinc/17/33/66/1178173366.db2.gz UJTZJCBGKQJDOB-ZJUUUORDSA-N 1 1 265.317 1.367 10 5 CDBEMO O=C(NC1(C[NH2+]CCF)CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001734089319 1183653806 /nfs/dbraw/zinc/65/38/06/1183653806.db2.gz XZKFZTQDKTXWEL-GHMZBOCLSA-N 1 1 287.335 1.030 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1COCCOC1 ZINC000313597324 1186714156 /nfs/dbraw/zinc/71/41/56/1186714156.db2.gz VLNSTXKPGRADIE-UHFFFAOYSA-N 1 1 282.296 1.108 10 5 CDBEMO O=[N+]([O-])CC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000791052509 735521426 /nfs/dbraw/zinc/52/14/26/735521426.db2.gz OSBZJJROYXPUCP-UHFFFAOYSA-N 1 1 275.312 1.185 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000930953700 735848207 /nfs/dbraw/zinc/84/82/07/735848207.db2.gz NQGLHTRPOOOQOY-LBPRGKRZSA-N 1 1 272.308 1.696 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000840118342 733184284 /nfs/dbraw/zinc/18/42/84/733184284.db2.gz XOKXCTJRZCFSHV-UPJWGTAASA-N 1 1 294.355 1.764 10 5 CDBEMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)c1 ZINC000709836008 733712660 /nfs/dbraw/zinc/71/26/60/733712660.db2.gz JZPVOIWBQSUYPZ-GXTWGEPZSA-N 1 1 280.324 1.160 10 5 CDBEMO C[C@@H]1[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)CC[N@H+]1C ZINC000719367604 734058620 /nfs/dbraw/zinc/05/86/20/734058620.db2.gz RSAVDWDKPCQVRE-APPZFPTMSA-N 1 1 251.290 1.077 10 5 CDBEMO O=C1OCC[C@]12CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001620684018 1165665763 /nfs/dbraw/zinc/66/57/63/1165665763.db2.gz YVVSHXYIPOZUHR-AWEZNQCLSA-N 1 1 276.292 1.734 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCn1cnnc1 ZINC001197459655 925156368 /nfs/dbraw/zinc/15/63/68/925156368.db2.gz REMMOSJLWUYYHI-LLVKDONJSA-N 1 1 275.312 1.879 10 5 CDBEMO COC(=O)C[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)(C)C ZINC001198113524 925335690 /nfs/dbraw/zinc/33/56/90/925335690.db2.gz YZURPFUKSQWGIO-JTQLQIEISA-N 1 1 299.327 1.959 10 5 CDBEMO CCC(CC)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480588 1169318691 /nfs/dbraw/zinc/31/86/91/1169318691.db2.gz MBLPUHDVYYJSKD-CHWSQXEVSA-N 1 1 285.388 1.478 10 5 CDBEMO CCC(CC)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001568480588 1169318704 /nfs/dbraw/zinc/31/87/04/1169318704.db2.gz MBLPUHDVYYJSKD-CHWSQXEVSA-N 1 1 285.388 1.478 10 5 CDBEMO CCC(CC)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001568480588 1169318718 /nfs/dbraw/zinc/31/87/18/1169318718.db2.gz MBLPUHDVYYJSKD-CHWSQXEVSA-N 1 1 285.388 1.478 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[N@@H+]2C)n1 ZINC001134767797 929890495 /nfs/dbraw/zinc/89/04/95/929890495.db2.gz GWKDDUKVSXPXPN-LLVKDONJSA-N 1 1 292.339 1.512 10 5 CDBEMO CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001276001335 932220427 /nfs/dbraw/zinc/22/04/27/932220427.db2.gz IEBUWBOXKCWGRW-ZIAGYGMSSA-N 1 1 291.351 1.290 10 5 CDBEMO COC[C@@H](C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001333586997 958436172 /nfs/dbraw/zinc/43/61/72/958436172.db2.gz LNEXCSFSACOIMS-CQSZACIVSA-N 1 1 280.324 1.614 10 5 CDBEMO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001346195722 964979378 /nfs/dbraw/zinc/97/93/78/964979378.db2.gz AVQBBESAAJKXQK-QWRGUYRKSA-N 1 1 258.318 1.459 10 5 CDBEMO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001346195722 964979385 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Cc1noc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000852071152 738059995 /nfs/dbraw/zinc/05/99/95/738059995.db2.gz YRDYCFIXBOOSHN-SECBINFHSA-N 1 1 255.274 1.236 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@@H](O)C2(C)C)c1[N+](=O)[O-] ZINC000852071152 738060000 /nfs/dbraw/zinc/06/00/00/738060000.db2.gz YRDYCFIXBOOSHN-SECBINFHSA-N 1 1 255.274 1.236 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000048482235 738695770 /nfs/dbraw/zinc/69/57/70/738695770.db2.gz NQAHOACNNAYECB-JTQLQIEISA-N 1 1 278.312 1.001 10 5 CDBEMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000817283094 738726121 /nfs/dbraw/zinc/72/61/21/738726121.db2.gz PFFGBIHJVSXESO-VIFPVBQESA-N 1 1 297.742 1.816 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895645914 738784888 /nfs/dbraw/zinc/78/48/88/738784888.db2.gz TUBQKIIGOKKQPV-BXUZGUMPSA-N 1 1 262.309 1.778 10 5 CDBEMO O=C(OC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870731712 738862829 /nfs/dbraw/zinc/86/28/29/738862829.db2.gz ALHJMAKHSWQPLP-MGPQQGTHSA-N 1 1 296.367 1.992 10 5 CDBEMO O=C(OC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000870731712 738862832 /nfs/dbraw/zinc/86/28/32/738862832.db2.gz ALHJMAKHSWQPLP-MGPQQGTHSA-N 1 1 296.367 1.992 10 5 CDBEMO O=C(OC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000870731712 738862833 /nfs/dbraw/zinc/86/28/33/738862833.db2.gz ALHJMAKHSWQPLP-MGPQQGTHSA-N 1 1 296.367 1.992 10 5 CDBEMO O=C1OC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000860165418 739138577 /nfs/dbraw/zinc/13/85/77/739138577.db2.gz VMGXTYARBHRBMX-MWLCHTKSSA-N 1 1 296.710 1.853 10 5 CDBEMO O=C1OC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000860165418 739138590 /nfs/dbraw/zinc/13/85/90/739138590.db2.gz VMGXTYARBHRBMX-MWLCHTKSSA-N 1 1 296.710 1.853 10 5 CDBEMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000079617818 736974230 /nfs/dbraw/zinc/97/42/30/736974230.db2.gz VKWUMSISFIHJLK-NEPJUHHUSA-N 1 1 278.312 1.265 10 5 CDBEMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000852666612 737712058 /nfs/dbraw/zinc/71/20/58/737712058.db2.gz PGJZKOVDACJHPY-GZBFAFLISA-N 1 1 292.335 1.597 10 5 CDBEMO C[N@@H+](CCc1ccc2c(c1)OCO2)CC[N+](=O)[O-] ZINC000931759030 738136769 /nfs/dbraw/zinc/13/67/69/738136769.db2.gz RLYHXLVOSIGFNV-UHFFFAOYSA-N 1 1 252.270 1.166 10 5 CDBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000176080609 738221040 /nfs/dbraw/zinc/22/10/40/738221040.db2.gz PYJAJIQCNWBQIF-LBPRGKRZSA-N 1 1 290.327 1.418 10 5 CDBEMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000690251039 913878341 /nfs/dbraw/zinc/87/83/41/913878341.db2.gz VWJRBIINBFUWHV-CYBMUJFWSA-N 1 1 268.288 1.937 10 5 CDBEMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000690251039 913878351 /nfs/dbraw/zinc/87/83/51/913878351.db2.gz VWJRBIINBFUWHV-CYBMUJFWSA-N 1 1 268.288 1.937 10 5 CDBEMO Cc1cc(N(C)CC[N@@H+](C)CCO)c(F)cc1[N+](=O)[O-] ZINC000691372291 922658906 /nfs/dbraw/zinc/65/89/06/922658906.db2.gz PIPJJPXRQUKGRS-UHFFFAOYSA-N 1 1 285.319 1.403 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@H]2[C@H]2CCCO2)c1 ZINC001198686030 925500053 /nfs/dbraw/zinc/50/00/53/925500053.db2.gz PZTVAGWEAWOIQO-UONOGXRCSA-N 1 1 294.355 1.825 10 5 CDBEMO CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001488730225 926666357 /nfs/dbraw/zinc/66/63/57/926666357.db2.gz OYKPZKXURPGAHY-YVECIDJPSA-N 1 1 283.372 1.182 10 5 CDBEMO Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc(C)[nH+]1 ZINC001319873960 958760494 /nfs/dbraw/zinc/76/04/94/958760494.db2.gz WSUWMBUNLLIEOU-UHFFFAOYSA-N 1 1 275.268 1.014 10 5 CDBEMO C[C@H]1CCC[N@H+]1CCNc1nn(C)cc1[N+](=O)[O-] ZINC001559123078 965403464 /nfs/dbraw/zinc/40/34/64/965403464.db2.gz YCXKCJYVJYYSDI-VIFPVBQESA-N 1 1 253.306 1.225 10 5 CDBEMO CC[N@@H+]1CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001446705556 966619201 /nfs/dbraw/zinc/61/92/01/966619201.db2.gz ALTIQIFWHYELDU-LBPRGKRZSA-N 1 1 293.323 1.314 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001446705556 966619204 /nfs/dbraw/zinc/61/92/04/966619204.db2.gz ALTIQIFWHYELDU-LBPRGKRZSA-N 1 1 293.323 1.314 10 5 CDBEMO O=C(CC[N@H+]1CC[C@H](F)C1)NCc1ccccc1[N+](=O)[O-] ZINC001543062395 967265140 /nfs/dbraw/zinc/26/51/40/967265140.db2.gz BPSKSOGFUORMBC-LBPRGKRZSA-N 1 1 295.314 1.645 10 5 CDBEMO CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001499220797 974215850 /nfs/dbraw/zinc/21/58/50/974215850.db2.gz FPBGBVDBAFCGLV-VXGBXAGGSA-N 1 1 283.372 1.326 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000590010314 342519112 /nfs/dbraw/zinc/51/91/12/342519112.db2.gz AZWOJARFCYPXJR-OCCSQVGLSA-N 1 1 291.351 1.610 10 5 CDBEMO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000590044716 342520590 /nfs/dbraw/zinc/52/05/90/342520590.db2.gz MGZNSCMUHYWWCN-FZMZJTMJSA-N 1 1 289.335 1.679 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609258037 342098734 /nfs/dbraw/zinc/09/87/34/342098734.db2.gz JCXCCJYIYJFOED-LBPRGKRZSA-N 1 1 277.324 1.348 10 5 CDBEMO CC(C)C[N@@H+](C)CCCNc1c([N+](=O)[O-])ncn1C ZINC000593479386 342801151 /nfs/dbraw/zinc/80/11/51/342801151.db2.gz CNGPAMJTWLARJC-UHFFFAOYSA-N 1 1 269.349 1.718 10 5 CDBEMO COc1ccc(C[NH2+]CCCN2CCC2)cc1[N+](=O)[O-] ZINC000594500549 342914087 /nfs/dbraw/zinc/91/40/87/342914087.db2.gz OLGPXXAWSJNMKP-UHFFFAOYSA-N 1 1 279.340 1.789 10 5 CDBEMO Cc1noc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595732355 343134009 /nfs/dbraw/zinc/13/40/09/343134009.db2.gz NIAICYWIAKZUPU-HTQZYQBOSA-N 1 1 269.301 1.340 10 5 CDBEMO C[C@@]12COC[C@H]1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595759071 343143131 /nfs/dbraw/zinc/14/31/31/343143131.db2.gz OWTFNHZCXSJBSW-IUODEOHRSA-N 1 1 292.335 1.942 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000601594639 344200567 /nfs/dbraw/zinc/20/05/67/344200567.db2.gz NCVJNKFCCQVBNL-JOYOIKCWSA-N 1 1 293.298 1.510 10 5 CDBEMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1C ZINC000536638824 282335681 /nfs/dbraw/zinc/33/56/81/282335681.db2.gz NZXDVPVXKVBCRA-ZJUUUORDSA-N 1 1 278.312 1.154 10 5 CDBEMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1C ZINC000536638824 282335683 /nfs/dbraw/zinc/33/56/83/282335683.db2.gz NZXDVPVXKVBCRA-ZJUUUORDSA-N 1 1 278.312 1.154 10 5 CDBEMO CC[N@H+]1[C@H](C)CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000603144796 344719907 /nfs/dbraw/zinc/71/99/07/344719907.db2.gz MCUPZYXJGXYBFX-DTORHVGOSA-N 1 1 295.343 1.181 10 5 CDBEMO CC[N@@H+]1[C@H](C)CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000603144796 344719908 /nfs/dbraw/zinc/71/99/08/344719908.db2.gz MCUPZYXJGXYBFX-DTORHVGOSA-N 1 1 295.343 1.181 10 5 CDBEMO CC[N@H+]1[C@H](C)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000603144796 344719909 /nfs/dbraw/zinc/71/99/09/344719909.db2.gz MCUPZYXJGXYBFX-DTORHVGOSA-N 1 1 295.343 1.181 10 5 CDBEMO CC[N@@H+]1[C@H](C)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000603144796 344719910 /nfs/dbraw/zinc/71/99/10/344719910.db2.gz MCUPZYXJGXYBFX-DTORHVGOSA-N 1 1 295.343 1.181 10 5 CDBEMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000053297674 362677713 /nfs/dbraw/zinc/67/77/13/362677713.db2.gz OMMKAUZUOLQQRM-SNVBAGLBSA-N 1 1 250.302 1.744 10 5 CDBEMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC(O)C1 ZINC000091489670 180169347 /nfs/dbraw/zinc/16/93/47/180169347.db2.gz XGWLKXBWOGYQLU-UHFFFAOYSA-N 1 1 250.298 1.798 10 5 CDBEMO CC(=O)[C@](C)(O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000347707407 359169130 /nfs/dbraw/zinc/16/91/30/359169130.db2.gz NTTHPRVXDCATOI-CYBMUJFWSA-N 1 1 266.297 1.367 10 5 CDBEMO CC(=O)[C@](C)(O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000347707407 359169136 /nfs/dbraw/zinc/16/91/36/359169136.db2.gz NTTHPRVXDCATOI-CYBMUJFWSA-N 1 1 266.297 1.367 10 5 CDBEMO CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000339160897 359300010 /nfs/dbraw/zinc/30/00/10/359300010.db2.gz NEUQNFQVSUEWAD-LBPRGKRZSA-N 1 1 279.296 1.011 10 5 CDBEMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000339356596 359388252 /nfs/dbraw/zinc/38/82/52/359388252.db2.gz JIIXRAZALQZZDS-SNVBAGLBSA-N 1 1 273.296 1.717 10 5 CDBEMO COCC[N@H+]1CCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301297660 200969625 /nfs/dbraw/zinc/96/96/25/200969625.db2.gz SVSVEZPYOHDGGT-NSHDSACASA-N 1 1 297.359 1.159 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)n1 ZINC000441219797 368530313 /nfs/dbraw/zinc/53/03/13/368530313.db2.gz ZEZMTNMRIMXXBL-CHWSQXEVSA-N 1 1 294.355 1.540 10 5 CDBEMO Cc1cc(=O)n(Cc2[nH+]ccn2C(C)C)cc1[N+](=O)[O-] ZINC000177793309 372899922 /nfs/dbraw/zinc/89/99/22/372899922.db2.gz UPEGGKDADXYFCY-UHFFFAOYSA-N 1 1 276.296 1.891 10 5 CDBEMO CCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883317 374514107 /nfs/dbraw/zinc/51/41/07/374514107.db2.gz FRWNJTLDNUTICV-UHFFFAOYSA-N 1 1 280.328 1.452 10 5 CDBEMO Cc1c(CN[C@H](C)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000400345659 375071428 /nfs/dbraw/zinc/07/14/28/375071428.db2.gz IUMRPEJAOPNHQV-YPMHNXCESA-N 1 1 263.341 1.991 10 5 CDBEMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC[C@H](O)C(F)F)c2c1 ZINC000601222820 375393806 /nfs/dbraw/zinc/39/38/06/375393806.db2.gz RHLQQJBRYIZDSB-LBPRGKRZSA-N 1 1 297.261 1.993 10 5 CDBEMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)n1 ZINC000356801634 375863262 /nfs/dbraw/zinc/86/32/62/375863262.db2.gz JKPZDRRLYKTAGN-JTQLQIEISA-N 1 1 297.359 1.270 10 5 CDBEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000069508248 378188748 /nfs/dbraw/zinc/18/87/48/378188748.db2.gz PQBMAYFXASRMFB-JQWIXIFHSA-N 1 1 277.324 1.681 10 5 CDBEMO CC(C)C[C@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000185370322 140039356 /nfs/dbraw/zinc/03/93/56/140039356.db2.gz KJAXLDYIIZKPPX-LLVKDONJSA-N 1 1 270.333 1.130 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413088717 391156519 /nfs/dbraw/zinc/15/65/19/391156519.db2.gz YAYJFRHBVSUYLV-QMMMGPOBSA-N 1 1 254.265 1.635 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1NCCC[NH+]1CCOCC1 ZINC000574290127 391388765 /nfs/dbraw/zinc/38/87/65/391388765.db2.gz HLVDVXCOPUNHLQ-UHFFFAOYSA-N 1 1 295.339 1.738 10 5 CDBEMO Cc1cnc(N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000266243651 391480706 /nfs/dbraw/zinc/48/07/06/391480706.db2.gz YHLBWMIBQMZIKY-LBPRGKRZSA-N 1 1 276.340 1.973 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C2CC2)CC1 ZINC000192540125 391565015 /nfs/dbraw/zinc/56/50/15/391565015.db2.gz STQPCXYTGDULJE-UHFFFAOYSA-N 1 1 279.344 1.404 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cn1 ZINC000264902749 391562110 /nfs/dbraw/zinc/56/21/10/391562110.db2.gz BZBNGLIIXODTRR-JQWIXIFHSA-N 1 1 262.313 1.663 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c(F)c1 ZINC000425352436 393020156 /nfs/dbraw/zinc/02/01/56/393020156.db2.gz HMEPHVOKHQTPME-SNVBAGLBSA-N 1 1 291.286 1.842 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c(F)c1 ZINC000425352436 393020161 /nfs/dbraw/zinc/02/01/61/393020161.db2.gz HMEPHVOKHQTPME-SNVBAGLBSA-N 1 1 291.286 1.842 10 5 CDBEMO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187733546 140083234 /nfs/dbraw/zinc/08/32/34/140083234.db2.gz LQPDOKOGIGLTTJ-SNVBAGLBSA-N 1 1 285.369 1.155 10 5 CDBEMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343162043 152054982 /nfs/dbraw/zinc/05/49/82/152054982.db2.gz ONRQHUJSMYDSEM-JTQLQIEISA-N 1 1 280.328 1.527 10 5 CDBEMO C[N@@H+](CCCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000349919635 154272041 /nfs/dbraw/zinc/27/20/41/154272041.db2.gz HKWLOAJHGQURSD-CYBMUJFWSA-N 1 1 298.339 1.039 10 5 CDBEMO C[N@H+]1CCC[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000044537578 175200369 /nfs/dbraw/zinc/20/03/69/175200369.db2.gz UJWOWSKVAXEJQU-JTQLQIEISA-N 1 1 250.302 1.744 10 5 CDBEMO C[N@H+]1CCCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000044563173 175206799 /nfs/dbraw/zinc/20/67/99/175206799.db2.gz OQCPVJIVEZFCTP-LLVKDONJSA-N 1 1 292.339 1.590 10 5 CDBEMO CCNC(=O)C(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000312875397 260215665 /nfs/dbraw/zinc/21/56/65/260215665.db2.gz GKIHNQDVZXWKTJ-UHFFFAOYSA-N 1 1 271.342 1.661 10 5 CDBEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000399168390 270369376 /nfs/dbraw/zinc/36/93/76/270369376.db2.gz BYRQXXSFKIEQBR-GWCFXTLKSA-N 1 1 250.298 1.940 10 5 CDBEMO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000302871723 274095895 /nfs/dbraw/zinc/09/58/95/274095895.db2.gz ZLAJHWXAZZNILL-AOOOYVTPSA-N 1 1 295.314 1.740 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000155056223 289227087 /nfs/dbraw/zinc/22/70/87/289227087.db2.gz YHQZRJVWAMUICU-AOOOYVTPSA-N 1 1 292.339 1.463 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000155056223 289227090 /nfs/dbraw/zinc/22/70/90/289227090.db2.gz YHQZRJVWAMUICU-AOOOYVTPSA-N 1 1 292.339 1.463 10 5 CDBEMO O=[N+]([O-])c1cc2c(nc1NCC[NH+]1CCC1)CCCC2 ZINC000571200604 294387792 /nfs/dbraw/zinc/38/77/92/294387792.db2.gz SOTADBATAYHNKE-UHFFFAOYSA-N 1 1 276.340 1.986 10 5 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Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000195315008 140153134 /nfs/dbraw/zinc/15/31/34/140153134.db2.gz AUTUDBYBFTUBEN-CYBMUJFWSA-N 1 1 289.335 1.823 10 5 CDBEMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000176260152 148032876 /nfs/dbraw/zinc/03/28/76/148032876.db2.gz ITCZBKGNDOFTLF-UHFFFAOYSA-N 1 1 282.344 1.681 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185150112 148388457 /nfs/dbraw/zinc/38/84/57/148388457.db2.gz CHSDKIPSQBMNHW-HNNXBMFYSA-N 1 1 292.335 1.629 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185150112 148388461 /nfs/dbraw/zinc/38/84/61/148388461.db2.gz CHSDKIPSQBMNHW-HNNXBMFYSA-N 1 1 292.335 1.629 10 5 CDBEMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347005223 153376592 /nfs/dbraw/zinc/37/65/92/153376592.db2.gz DRCAAHRUDAISDP-SNVBAGLBSA-N 1 1 295.364 1.965 10 5 CDBEMO CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347005223 153376593 /nfs/dbraw/zinc/37/65/93/153376593.db2.gz DRCAAHRUDAISDP-SNVBAGLBSA-N 1 1 295.364 1.965 10 5 CDBEMO C[C@H]1CCCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362605353 159192872 /nfs/dbraw/zinc/19/28/72/159192872.db2.gz FAUGMZIHUGJPAG-AAEUAGOBSA-N 1 1 282.344 1.417 10 5 CDBEMO CC[NH+](CC)C[C@@H](O)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676051 174373710 /nfs/dbraw/zinc/37/37/10/174373710.db2.gz OSEDKQUCWZLPMW-HNNXBMFYSA-N 1 1 295.383 1.430 10 5 CDBEMO CCN(CC)C[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676051 174373711 /nfs/dbraw/zinc/37/37/11/174373711.db2.gz OSEDKQUCWZLPMW-HNNXBMFYSA-N 1 1 295.383 1.430 10 5 CDBEMO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(CO)cc1[N+](=O)[O-] ZINC000071189629 176066023 /nfs/dbraw/zinc/06/60/23/176066023.db2.gz GXROCVJKGUWUAN-LBPRGKRZSA-N 1 1 279.340 1.475 10 5 CDBEMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000408434043 274364890 /nfs/dbraw/zinc/36/48/90/274364890.db2.gz DNGZAZPTYIKJLS-NXEZZACHSA-N 1 1 290.327 1.166 10 5 CDBEMO COc1cccc(N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000249284931 278016449 /nfs/dbraw/zinc/01/64/49/278016449.db2.gz IARVFVHMJDSBND-NSHDSACASA-N 1 1 277.324 1.888 10 5 CDBEMO CC(C)C[C@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000185336284 279168625 /nfs/dbraw/zinc/16/86/25/279168625.db2.gz XOZZOLXGDKPWCK-CYBMUJFWSA-N 1 1 297.355 1.095 10 5 CDBEMO O=[N+]([O-])c1cccnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000298687864 280376500 /nfs/dbraw/zinc/37/65/00/280376500.db2.gz AAXXOFSKSCUEQA-NSHDSACASA-N 1 1 262.313 1.664 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000408169830 280398656 /nfs/dbraw/zinc/39/86/56/280398656.db2.gz AZZDVNIZVMGXBP-GFCCVEGCSA-N 1 1 276.340 1.891 10 5 CDBEMO O=C1CCCN1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153126093 289158233 /nfs/dbraw/zinc/15/82/33/289158233.db2.gz MXEPTUKEYJVBLX-UHFFFAOYSA-N 1 1 289.335 1.575 10 5 CDBEMO O=C1CCCN1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153126093 289158236 /nfs/dbraw/zinc/15/82/36/289158236.db2.gz MXEPTUKEYJVBLX-UHFFFAOYSA-N 1 1 289.335 1.575 10 5 CDBEMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000563022899 293248374 /nfs/dbraw/zinc/24/83/74/293248374.db2.gz HHRYHOWGMQQRGB-NSHDSACASA-N 1 1 292.339 1.452 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CC(C)(C(N)=O)C1 ZINC000582962097 325078484 /nfs/dbraw/zinc/07/84/84/325078484.db2.gz KQDFUYITBSSLMW-SECBINFHSA-N 1 1 263.297 1.463 10 5 CDBEMO CC(C)C[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815805 519714425 /nfs/dbraw/zinc/71/44/25/519714425.db2.gz LRPPMOZJTRVSQC-UHFFFAOYSA-N 1 1 280.328 1.120 10 5 CDBEMO CC(C)C[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815805 519714427 /nfs/dbraw/zinc/71/44/27/519714427.db2.gz LRPPMOZJTRVSQC-UHFFFAOYSA-N 1 1 280.328 1.120 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000062595969 521071349 /nfs/dbraw/zinc/07/13/49/521071349.db2.gz UIVOHHHYOCDZTA-VIFPVBQESA-N 1 1 286.259 1.393 10 5 CDBEMO CNc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000050817188 522609534 /nfs/dbraw/zinc/60/95/34/522609534.db2.gz FHZCGCJUDKRNER-NSHDSACASA-N 1 1 265.313 1.593 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000062539755 523600768 /nfs/dbraw/zinc/60/07/68/523600768.db2.gz DGIRKQAOVUDJGY-VIFPVBQESA-N 1 1 288.687 1.517 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000221417579 525458964 /nfs/dbraw/zinc/45/89/64/525458964.db2.gz DLURSQGTLKRXPO-MFKMUULPSA-N 1 1 280.324 1.806 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000221417579 525458967 /nfs/dbraw/zinc/45/89/67/525458967.db2.gz DLURSQGTLKRXPO-MFKMUULPSA-N 1 1 280.324 1.806 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000183382075 525564372 /nfs/dbraw/zinc/56/43/72/525564372.db2.gz UBGHTAVSQQOUAF-GFCCVEGCSA-N 1 1 291.351 1.991 10 5 CDBEMO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000315079161 535026893 /nfs/dbraw/zinc/02/68/93/535026893.db2.gz MWTRLTYHWVHCQA-LBPRGKRZSA-N 1 1 293.323 1.379 10 5 CDBEMO CC1(C)[C@@H](O)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000315079161 535026896 /nfs/dbraw/zinc/02/68/96/535026896.db2.gz MWTRLTYHWVHCQA-LBPRGKRZSA-N 1 1 293.323 1.379 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1Cl ZINC000895652758 619789065 /nfs/dbraw/zinc/78/90/65/619789065.db2.gz JUXMBMRPISKVCV-BXKDBHETSA-N 1 1 268.700 1.815 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1Cl ZINC000895652758 619789071 /nfs/dbraw/zinc/78/90/71/619789071.db2.gz JUXMBMRPISKVCV-BXKDBHETSA-N 1 1 268.700 1.815 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001648158317 1169102876 /nfs/dbraw/zinc/10/28/76/1169102876.db2.gz KSFDMKTVHKWLHQ-ZJUUUORDSA-N 1 1 288.311 1.658 10 5 CDBEMO CC[C@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001648339165 1169123407 /nfs/dbraw/zinc/12/34/07/1169123407.db2.gz AHBNXGCLGQVMJF-SNVBAGLBSA-N 1 1 292.295 1.505 10 5 CDBEMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001655716556 1171718903 /nfs/dbraw/zinc/71/89/03/1171718903.db2.gz IHHFSYMOXLQHDP-NSHDSACASA-N 1 1 285.307 1.769 10 5 CDBEMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001655716556 1171718905 /nfs/dbraw/zinc/71/89/05/1171718905.db2.gz IHHFSYMOXLQHDP-NSHDSACASA-N 1 1 285.307 1.769 10 5 CDBEMO Cn1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC001656563187 1171843766 /nfs/dbraw/zinc/84/37/66/1171843766.db2.gz XNKSTNQBDOVICS-GFCCVEGCSA-N 1 1 296.371 1.965 10 5 CDBEMO Cn1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC001656563187 1171843770 /nfs/dbraw/zinc/84/37/70/1171843770.db2.gz XNKSTNQBDOVICS-GFCCVEGCSA-N 1 1 296.371 1.965 10 5 CDBEMO CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001707062215 1177935262 /nfs/dbraw/zinc/93/52/62/1177935262.db2.gz UGBPXITVAJUJFZ-YVECIDJPSA-N 1 1 283.372 1.326 10 5 CDBEMO CCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001716793716 1180417233 /nfs/dbraw/zinc/41/72/33/1180417233.db2.gz HXANMOZLGWEKBH-CHWSQXEVSA-N 1 1 297.399 1.813 10 5 CDBEMO CCCC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001725222200 1181927146 /nfs/dbraw/zinc/92/71/46/1181927146.db2.gz GPDDQKNAWOEXEG-CHWSQXEVSA-N 1 1 297.399 1.860 10 5 CDBEMO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1O ZINC000922556309 742873085 /nfs/dbraw/zinc/87/30/85/742873085.db2.gz FMFXSVRAZAFVMX-GXSJLCMTSA-N 1 1 295.339 1.491 10 5 CDBEMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1O ZINC000922556309 742873086 /nfs/dbraw/zinc/87/30/86/742873086.db2.gz FMFXSVRAZAFVMX-GXSJLCMTSA-N 1 1 295.339 1.491 10 5 CDBEMO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000828988107 745064142 /nfs/dbraw/zinc/06/41/42/745064142.db2.gz RIYRODUPUSRIJQ-TVQRCGJNSA-N 1 1 295.314 1.883 10 5 CDBEMO CC(C)(C)[C@]1(C[NH3+])CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000866706223 745281986 /nfs/dbraw/zinc/28/19/86/745281986.db2.gz NLHWWTSCQSHGDF-AWEZNQCLSA-N 1 1 295.387 1.488 10 5 CDBEMO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000858867130 745562119 /nfs/dbraw/zinc/56/21/19/745562119.db2.gz LAPVNRZRBSZTSA-VIFPVBQESA-N 1 1 299.302 1.221 10 5 CDBEMO C[C@H]1CCCC[N@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822524237 745582444 /nfs/dbraw/zinc/58/24/44/745582444.db2.gz VWQYAPJSFADZMU-LBPRGKRZSA-N 1 1 285.388 1.813 10 5 CDBEMO Cc1nn(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000779860941 745981951 /nfs/dbraw/zinc/98/19/51/745981951.db2.gz KXMVIGYTGKCFOU-LBPRGKRZSA-N 1 1 279.344 1.226 10 5 CDBEMO CON(C)C(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801600707 746090827 /nfs/dbraw/zinc/09/08/27/746090827.db2.gz TUIQTDAXFJAHSJ-UHFFFAOYSA-N 1 1 281.312 1.089 10 5 CDBEMO CON(C)C(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801600707 746090834 /nfs/dbraw/zinc/09/08/34/746090834.db2.gz TUIQTDAXFJAHSJ-UHFFFAOYSA-N 1 1 281.312 1.089 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000719627495 746134603 /nfs/dbraw/zinc/13/46/03/746134603.db2.gz VNDMXSQWDWNTKR-NXEZZACHSA-N 1 1 250.302 1.803 10 5 CDBEMO C[C@@]12C[N@@H+](Cn3nccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000840113825 746232731 /nfs/dbraw/zinc/23/27/31/746232731.db2.gz DHEHTPXLGXEVPU-CZXHOFHRSA-N 1 1 274.324 1.893 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1c2ccccc2C[N@H+]1C ZINC000866193482 746897386 /nfs/dbraw/zinc/89/73/86/746897386.db2.gz DBUWSPXSBMMLBW-LBPRGKRZSA-N 1 1 287.323 1.927 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000866193482 746897390 /nfs/dbraw/zinc/89/73/90/746897390.db2.gz DBUWSPXSBMMLBW-LBPRGKRZSA-N 1 1 287.323 1.927 10 5 CDBEMO CC(C)c1cc([C@@H]2CCCN(CC[N+](=O)[O-])C2)[nH]n1 ZINC000931607729 747137927 /nfs/dbraw/zinc/13/79/27/747137927.db2.gz JOPXQWBHVKGVDT-LLVKDONJSA-N 1 1 266.345 1.989 10 5 CDBEMO CC(C)c1cc([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)[nH]n1 ZINC000931607729 747137934 /nfs/dbraw/zinc/13/79/34/747137934.db2.gz JOPXQWBHVKGVDT-LLVKDONJSA-N 1 1 266.345 1.989 10 5 CDBEMO CC(C)c1cc([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)[nH]n1 ZINC000931607729 747137937 /nfs/dbraw/zinc/13/79/37/747137937.db2.gz JOPXQWBHVKGVDT-LLVKDONJSA-N 1 1 266.345 1.989 10 5 CDBEMO CC(C)c1cc([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n[nH]1 ZINC000931607729 747137947 /nfs/dbraw/zinc/13/79/47/747137947.db2.gz JOPXQWBHVKGVDT-LLVKDONJSA-N 1 1 266.345 1.989 10 5 CDBEMO CC(C)c1cc([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n[nH]1 ZINC000931607729 747137960 /nfs/dbraw/zinc/13/79/60/747137960.db2.gz JOPXQWBHVKGVDT-LLVKDONJSA-N 1 1 266.345 1.989 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC000923461742 747664492 /nfs/dbraw/zinc/66/44/92/747664492.db2.gz UFYGTNNVIBMXEG-GFCCVEGCSA-N 1 1 278.356 1.151 10 5 CDBEMO COc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])c(OC)c1 ZINC000931181476 748029023 /nfs/dbraw/zinc/02/90/23/748029023.db2.gz YSTJXSZLYOLAEL-VIFPVBQESA-N 1 1 254.286 1.631 10 5 CDBEMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2c[nH]nc21 ZINC000931460025 748305073 /nfs/dbraw/zinc/30/50/73/748305073.db2.gz UTCZZRHFUFYXIC-VIFPVBQESA-N 1 1 276.300 1.134 10 5 CDBEMO 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Cc1cc([N+](=O)[O-])cn(C[C@H](C)C[NH+]2CCOCC2)c1=O ZINC001656385490 1171815192 /nfs/dbraw/zinc/81/51/92/1171815192.db2.gz SOBPVJWSZVFWOG-LLVKDONJSA-N 1 1 295.339 1.033 10 5 CDBEMO Cc1sc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441463 342545942 /nfs/dbraw/zinc/54/59/42/342545942.db2.gz CQQYERPXOANZCB-KOLCDFICSA-N 1 1 295.364 1.741 10 5 CDBEMO COc1cc(CN[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000608782025 342039918 /nfs/dbraw/zinc/03/99/18/342039918.db2.gz HDCACGXTTXIBER-NSHDSACASA-N 1 1 295.339 1.493 10 5 CDBEMO COc1cc(CN[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000608782025 342039919 /nfs/dbraw/zinc/03/99/19/342039919.db2.gz HDCACGXTTXIBER-NSHDSACASA-N 1 1 295.339 1.493 10 5 CDBEMO Cc1nc(N2CC(C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000590568088 342576188 /nfs/dbraw/zinc/57/61/88/342576188.db2.gz OJKVSOORGPHWDD-UHFFFAOYSA-N 1 1 292.339 1.067 10 5 CDBEMO CO[C@@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401671545 342591686 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COC[C@H](C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)OC ZINC000595476735 343064085 /nfs/dbraw/zinc/06/40/85/343064085.db2.gz OFPLPNHTRMIWLU-AWEZNQCLSA-N 1 1 282.340 1.731 10 5 CDBEMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645206 344112930 /nfs/dbraw/zinc/11/29/30/344112930.db2.gz QVNSBGMKYRYIJW-KLPPZKSPSA-N 1 1 293.323 1.169 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000603843246 344837854 /nfs/dbraw/zinc/83/78/54/344837854.db2.gz HTRLFUOABCTCTL-ZWNOBZJWSA-N 1 1 290.323 1.763 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[N@@H+](C)C[C@H]1C ZINC000344219225 362557318 /nfs/dbraw/zinc/55/73/18/362557318.db2.gz NTIVUBAOMQJBSH-MFKMUULPSA-N 1 1 279.340 1.643 10 5 CDBEMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187966152 357223787 /nfs/dbraw/zinc/22/37/87/357223787.db2.gz JJDTYNALLIBMOB-WCQYABFASA-N 1 1 282.344 1.274 10 5 CDBEMO CC[N@H+]1CC[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000389263452 357352569 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COc1cc(NC[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000090794665 368132599 /nfs/dbraw/zinc/13/25/99/368132599.db2.gz LIRNHYXQBYWCRX-NSHDSACASA-N 1 1 281.312 1.346 10 5 CDBEMO COc1cc(NC[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000090794665 368132604 /nfs/dbraw/zinc/13/26/04/368132604.db2.gz LIRNHYXQBYWCRX-NSHDSACASA-N 1 1 281.312 1.346 10 5 CDBEMO Cc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000301645363 374139627 /nfs/dbraw/zinc/13/96/27/374139627.db2.gz HQXZEGQPCAGCJM-KGLIPLIRSA-N 1 1 277.324 1.422 10 5 CDBEMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000531887498 374514264 /nfs/dbraw/zinc/51/42/64/374514264.db2.gz YGSJLTJWRYVCAP-ZJUUUORDSA-N 1 1 290.323 1.345 10 5 CDBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278856093 374862670 /nfs/dbraw/zinc/86/26/70/374862670.db2.gz KRQBQJGPVAQHEN-XHDPSFHLSA-N 1 1 289.335 1.868 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000280700266 375014399 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COCC[C@@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347785892 392241603 /nfs/dbraw/zinc/24/16/03/392241603.db2.gz OMPDQXKMSYRBGA-SNVBAGLBSA-N 1 1 265.313 1.773 10 5 CDBEMO Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301633811 392785353 /nfs/dbraw/zinc/78/53/53/392785353.db2.gz DJQCTLARQPZGGG-UONOGXRCSA-N 1 1 277.324 1.422 10 5 CDBEMO C[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000281000759 393154412 /nfs/dbraw/zinc/15/44/12/393154412.db2.gz RFMARTLDXUSHKV-VIFPVBQESA-N 1 1 293.323 1.513 10 5 CDBEMO Cc1cccc(N2CC[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302480101 393198921 /nfs/dbraw/zinc/19/89/21/393198921.db2.gz GHMPWEFCRGXHFE-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO Cc1cccc(N2CC[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302480101 393198926 /nfs/dbraw/zinc/19/89/26/393198926.db2.gz GHMPWEFCRGXHFE-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000185150093 148387541 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CDBEMO CCOc1ccc([C@H](C)[NH2+][C@@H]2CNOC2)cc1[N+](=O)[O-] ZINC000925866762 752369485 /nfs/dbraw/zinc/36/94/85/752369485.db2.gz LEFOQXQMNKOUFR-GXSJLCMTSA-N 1 1 281.312 1.548 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000866207335 753643742 /nfs/dbraw/zinc/64/37/42/753643742.db2.gz HVWZJDGLYRJDDF-BXKDBHETSA-N 1 1 280.303 1.659 10 5 CDBEMO Cc1nn(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000789543449 753832676 /nfs/dbraw/zinc/83/26/76/753832676.db2.gz CGQRBEOGMSTPIK-CYBMUJFWSA-N 1 1 280.328 1.560 10 5 CDBEMO Cc1nn(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000789543449 753832677 /nfs/dbraw/zinc/83/26/77/753832677.db2.gz CGQRBEOGMSTPIK-CYBMUJFWSA-N 1 1 280.328 1.560 10 5 CDBEMO Cc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000724671138 896754726 /nfs/dbraw/zinc/75/47/26/896754726.db2.gz QEXXDJGRJVCBOL-UHFFFAOYSA-N 1 1 274.280 1.865 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)cc1F ZINC001176965250 914405448 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/nfs/dbraw/zinc/64/63/38/522646338.db2.gz JEOTZWZKWJTCAR-ZDUSSCGKSA-N 1 1 279.340 1.983 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CSc1ccc([N+](=O)[O-])cc1 ZINC000045549623 523599217 /nfs/dbraw/zinc/59/92/17/523599217.db2.gz IZJINCSFZWIRNT-VIFPVBQESA-N 1 1 256.283 1.187 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CO ZINC000050817072 527503898 /nfs/dbraw/zinc/50/38/98/527503898.db2.gz ZZGOQQPFOSISJN-GFCCVEGCSA-N 1 1 265.313 1.524 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000742197619 576586930 /nfs/dbraw/zinc/58/69/30/576586930.db2.gz UCJTVYUJKZYLJU-NSHDSACASA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000742197619 576586931 /nfs/dbraw/zinc/58/69/31/576586931.db2.gz UCJTVYUJKZYLJU-NSHDSACASA-N 1 1 277.324 1.679 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000747833138 576886231 /nfs/dbraw/zinc/88/62/31/576886231.db2.gz VCMDFVDSJBBYKL-NWDGAFQWSA-N 1 1 280.328 1.497 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000747833138 576886233 /nfs/dbraw/zinc/88/62/33/576886233.db2.gz VCMDFVDSJBBYKL-NWDGAFQWSA-N 1 1 280.328 1.497 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000756888095 577012885 /nfs/dbraw/zinc/01/28/85/577012885.db2.gz NJTPWTZVZBAZMJ-PWSUYJOCSA-N 1 1 266.301 1.250 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000756888095 577012888 /nfs/dbraw/zinc/01/28/88/577012888.db2.gz NJTPWTZVZBAZMJ-PWSUYJOCSA-N 1 1 266.301 1.250 10 5 CDBEMO C[C@@H]1[NH2+]C[C@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000923435623 618338405 /nfs/dbraw/zinc/33/84/05/618338405.db2.gz ITSBWDJLBHEFTQ-DCAQKATOSA-N 1 1 279.340 1.871 10 5 CDBEMO C[C@H]1[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000905649098 626898892 /nfs/dbraw/zinc/89/88/92/626898892.db2.gz MDLOGKLPIDFPQN-JOYOIKCWSA-N 1 1 294.380 1.974 10 5 CDBEMO C[N@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001639135515 1166902994 /nfs/dbraw/zinc/90/29/94/1166902994.db2.gz ISFGDGJDAUULBE-ZDUSSCGKSA-N 1 1 291.351 1.594 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](O)CC23CCC3)n1 ZINC001618676372 1165640870 /nfs/dbraw/zinc/64/08/70/1165640870.db2.gz CBPYYZFPUOOCRC-NSHDSACASA-N 1 1 280.328 1.171 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC000879362923 773998366 /nfs/dbraw/zinc/99/83/66/773998366.db2.gz KGTMQDGJFGLFKW-DZGCQCFKSA-N 1 1 294.351 1.203 10 5 CDBEMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000719625939 774874631 /nfs/dbraw/zinc/87/46/31/774874631.db2.gz QBEZEGSSCXYCET-WCBMZHEXSA-N 1 1 267.333 1.395 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)C1CC1)C2 ZINC000838901683 775425954 /nfs/dbraw/zinc/42/59/54/775425954.db2.gz QWWUDKQKMJJOIR-CQSZACIVSA-N 1 1 262.309 1.724 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCO[C@@H]1CCOC1)C2 ZINC000930099510 775487594 /nfs/dbraw/zinc/48/75/94/775487594.db2.gz MAUAAXWLXGJOPS-CYBMUJFWSA-N 1 1 292.335 1.758 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCO[C@@H]1CCOC1)C2 ZINC000930099510 775487611 /nfs/dbraw/zinc/48/76/11/775487611.db2.gz MAUAAXWLXGJOPS-CYBMUJFWSA-N 1 1 292.335 1.758 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610248 776650458 /nfs/dbraw/zinc/65/04/58/776650458.db2.gz NTAYHFKDPXLHJN-GDLCADMTSA-N 1 1 280.324 1.392 10 5 CDBEMO COC(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000781904794 776706115 /nfs/dbraw/zinc/70/61/15/776706115.db2.gz UYLQPBQSXGOJEZ-UHFFFAOYSA-N 1 1 266.297 1.572 10 5 CDBEMO COC(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000781904794 776706142 /nfs/dbraw/zinc/70/61/42/776706142.db2.gz UYLQPBQSXGOJEZ-UHFFFAOYSA-N 1 1 266.297 1.572 10 5 CDBEMO [NH3+][C@@H]1C[C@H](NCCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000925631892 776871515 /nfs/dbraw/zinc/87/15/15/776871515.db2.gz YFPPHSFMYUOMEX-KGLIPLIRSA-N 1 1 275.352 1.997 10 5 CDBEMO N[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000925631892 776871516 /nfs/dbraw/zinc/87/15/16/776871516.db2.gz YFPPHSFMYUOMEX-KGLIPLIRSA-N 1 1 275.352 1.997 10 5 CDBEMO CC(C)(CCC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[N+](=O)[O-] ZINC000863031846 777907656 /nfs/dbraw/zinc/90/76/56/777907656.db2.gz KAONTRRRZLPZLL-CYBMUJFWSA-N 1 1 297.399 1.955 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879366301 779393854 /nfs/dbraw/zinc/39/38/54/779393854.db2.gz CVTXGLIQSYOIDO-SMDDNHRTSA-N 1 1 298.314 1.299 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879366301 779393863 /nfs/dbraw/zinc/39/38/63/779393863.db2.gz CVTXGLIQSYOIDO-SMDDNHRTSA-N 1 1 298.314 1.299 10 5 CDBEMO C[N@H+]1CCCC12CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)CC2 ZINC001632804726 1166378918 /nfs/dbraw/zinc/37/89/18/1166378918.db2.gz LPOUTWAYPDXUAJ-UHFFFAOYSA-N 1 1 292.339 1.623 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001636536118 1166682080 /nfs/dbraw/zinc/68/20/80/1166682080.db2.gz WUHKPHXVVMIYKR-GHMZBOCLSA-N 1 1 292.339 1.463 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001636536118 1166682081 /nfs/dbraw/zinc/68/20/81/1166682081.db2.gz WUHKPHXVVMIYKR-GHMZBOCLSA-N 1 1 292.339 1.463 10 5 CDBEMO Cc1c(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC001176964290 914403226 /nfs/dbraw/zinc/40/32/26/914403226.db2.gz AFLWSLSEXBLVNT-KBPBESRZSA-N 1 1 294.351 1.326 10 5 CDBEMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126675448 907690196 /nfs/dbraw/zinc/69/01/96/907690196.db2.gz HRMLQVIIHJULIH-JHJVBQTASA-N 1 1 281.356 1.032 10 5 CDBEMO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001126675448 907690202 /nfs/dbraw/zinc/69/02/02/907690202.db2.gz HRMLQVIIHJULIH-JHJVBQTASA-N 1 1 281.356 1.032 10 5 CDBEMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001126675448 907690214 /nfs/dbraw/zinc/69/02/14/907690214.db2.gz HRMLQVIIHJULIH-JHJVBQTASA-N 1 1 281.356 1.032 10 5 CDBEMO O=C(NC/C=C/C[NH2+]CC1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001274016884 931116831 /nfs/dbraw/zinc/11/68/31/931116831.db2.gz PNIGPLOGXOWRIU-KOABKASLSA-N 1 1 295.383 1.494 10 5 CDBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C(C)(C)O ZINC001473465789 970798299 /nfs/dbraw/zinc/79/82/99/970798299.db2.gz WBYMQHLWKLSGBT-CYBMUJFWSA-N 1 1 282.340 1.201 10 5 CDBEMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC001325881174 954121928 /nfs/dbraw/zinc/12/19/28/954121928.db2.gz PTPOINZJTQTMES-QWHCGFSZSA-N 1 1 278.308 1.085 10 5 CDBEMO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001346195724 964979229 /nfs/dbraw/zinc/97/92/29/964979229.db2.gz AVQBBESAAJKXQK-WDEREUQCSA-N 1 1 258.318 1.459 10 5 CDBEMO CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC[N@H+]1CC ZINC001346195724 964979237 /nfs/dbraw/zinc/97/92/37/964979237.db2.gz AVQBBESAAJKXQK-WDEREUQCSA-N 1 1 258.318 1.459 10 5 CDBEMO Cc1nc(NCc2c[nH+]c3n2CCC3)ncc1[N+](=O)[O-] ZINC001559280433 965426494 /nfs/dbraw/zinc/42/64/94/965426494.db2.gz GESBZBMMQKBHFL-UHFFFAOYSA-N 1 1 274.284 1.448 10 5 CDBEMO O=[N+]([O-])c1cccnc1N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001559295827 965430239 /nfs/dbraw/zinc/43/02/39/965430239.db2.gz OZDYZJRJNUPGIA-UWVGGRQHSA-N 1 1 266.276 1.222 10 5 CDBEMO O=[N+]([O-])c1cccnc1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001559295827 965430249 /nfs/dbraw/zinc/43/02/49/965430249.db2.gz OZDYZJRJNUPGIA-UWVGGRQHSA-N 1 1 266.276 1.222 10 5 CDBEMO CC[N@H+](CCNC(=O)COC)Cc1ccccc1[N+](=O)[O-] ZINC001492901329 975516493 /nfs/dbraw/zinc/51/64/93/975516493.db2.gz IGOAUEMXEFUDSQ-UHFFFAOYSA-N 1 1 295.339 1.179 10 5 CDBEMO CC[N@@H+](CCNC(=O)COC)Cc1ccccc1[N+](=O)[O-] ZINC001492901329 975516499 /nfs/dbraw/zinc/51/64/99/975516499.db2.gz IGOAUEMXEFUDSQ-UHFFFAOYSA-N 1 1 295.339 1.179 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590010911 342519532 /nfs/dbraw/zinc/51/95/32/342519532.db2.gz CBNAHJWUCLTJFP-SWLSCSKDSA-N 1 1 291.351 1.610 10 5 CDBEMO CN1C[C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590010911 342519533 /nfs/dbraw/zinc/51/95/33/342519533.db2.gz CBNAHJWUCLTJFP-SWLSCSKDSA-N 1 1 291.351 1.610 10 5 CDBEMO CN1C[C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590010911 342519534 /nfs/dbraw/zinc/51/95/34/342519534.db2.gz CBNAHJWUCLTJFP-SWLSCSKDSA-N 1 1 291.351 1.610 10 5 CDBEMO Cc1ccc(C[NH+]2CC(C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000592518478 342701501 /nfs/dbraw/zinc/70/15/01/342701501.db2.gz RQDUJJBYFGRQSR-UHFFFAOYSA-N 1 1 263.297 1.210 10 5 CDBEMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CC2)CC1 ZINC000127172798 342181022 /nfs/dbraw/zinc/18/10/22/342181022.db2.gz MVQYLWGKJTYANL-UHFFFAOYSA-N 1 1 290.323 1.907 10 5 CDBEMO C[NH2+]C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593725554 342829478 /nfs/dbraw/zinc/82/94/78/342829478.db2.gz POHKSNGCWJNARX-UHFFFAOYSA-N 1 1 265.313 1.484 10 5 CDBEMO C[C@H]1CC[N@@H+](CC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594246155 342882112 /nfs/dbraw/zinc/88/21/12/342882112.db2.gz MWHGBGZYWRFMDG-LBPRGKRZSA-N 1 1 291.351 1.595 10 5 CDBEMO Cc1c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000405743334 539100289 /nfs/dbraw/zinc/10/02/89/539100289.db2.gz ZUQGMRQCOGHEGJ-UONOGXRCSA-N 1 1 291.351 1.154 10 5 CDBEMO Cc1noc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000595687483 343131952 /nfs/dbraw/zinc/13/19/52/343131952.db2.gz AODGWOIQHQUBNF-BETUJISGSA-N 1 1 281.312 1.750 10 5 CDBEMO Cc1noc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000595687483 343131954 /nfs/dbraw/zinc/13/19/54/343131954.db2.gz AODGWOIQHQUBNF-BETUJISGSA-N 1 1 281.312 1.750 10 5 CDBEMO Cc1noc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595827426 343167549 /nfs/dbraw/zinc/16/75/49/343167549.db2.gz PNBIQLRCHZPHST-UWVGGRQHSA-N 1 1 267.285 1.360 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595827426 343167550 /nfs/dbraw/zinc/16/75/50/343167550.db2.gz PNBIQLRCHZPHST-UWVGGRQHSA-N 1 1 267.285 1.360 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000604198884 344865674 /nfs/dbraw/zinc/86/56/74/344865674.db2.gz JDYGTMJZZYBTGM-LLVKDONJSA-N 1 1 293.323 1.184 10 5 CDBEMO C[C@@]1(O)CC[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]1[N+](=O)[O-] ZINC000584608768 346498656 /nfs/dbraw/zinc/49/86/56/346498656.db2.gz DSKMGPCNCUOCGT-SDDRHHMPSA-N 1 1 270.716 1.771 10 5 CDBEMO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])nc2)CCO1 ZINC000344432889 362776321 /nfs/dbraw/zinc/77/63/21/362776321.db2.gz INLBADXXILBICN-UHFFFAOYSA-N 1 1 280.328 1.513 10 5 CDBEMO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])nc2)CCO1 ZINC000344432889 362776330 /nfs/dbraw/zinc/77/63/30/362776330.db2.gz INLBADXXILBICN-UHFFFAOYSA-N 1 1 280.328 1.513 10 5 CDBEMO CC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000612577290 347213040 /nfs/dbraw/zinc/21/30/40/347213040.db2.gz JODHMAQYSLSBMG-UHFFFAOYSA-N 1 1 279.340 1.813 10 5 CDBEMO CC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000612577290 347213041 /nfs/dbraw/zinc/21/30/41/347213041.db2.gz JODHMAQYSLSBMG-UHFFFAOYSA-N 1 1 279.340 1.813 10 5 CDBEMO Cc1c(CC(=O)NC[C@@H]2CCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000122836563 187055080 /nfs/dbraw/zinc/05/50/80/187055080.db2.gz CUOAUOKNDBRYCH-ZDUSSCGKSA-N 1 1 291.351 1.656 10 5 CDBEMO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C ZINC000124269568 187129555 /nfs/dbraw/zinc/12/95/55/187129555.db2.gz ZUFJAFIEBVSZNK-VHSXEESVSA-N 1 1 281.312 1.743 10 5 CDBEMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000577821843 356056562 /nfs/dbraw/zinc/05/65/62/356056562.db2.gz GWDKFYLRFCIPTE-LLVKDONJSA-N 1 1 292.339 1.546 10 5 CDBEMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000577821843 356056564 /nfs/dbraw/zinc/05/65/64/356056564.db2.gz GWDKFYLRFCIPTE-LLVKDONJSA-N 1 1 292.339 1.546 10 5 CDBEMO C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000192463872 358205837 /nfs/dbraw/zinc/20/58/37/358205837.db2.gz ZHNAWZRUCYSPRY-DTWKUNHWSA-N 1 1 270.358 1.970 10 5 CDBEMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000291074459 358858807 /nfs/dbraw/zinc/85/88/07/358858807.db2.gz YZAGEWNEKINTNA-JTQLQIEISA-N 1 1 297.359 1.179 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000301777392 201190254 /nfs/dbraw/zinc/19/02/54/201190254.db2.gz LYPUCMDHLONJII-ZDUSSCGKSA-N 1 1 276.340 1.315 10 5 CDBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCO ZINC000440939322 367139667 /nfs/dbraw/zinc/13/96/67/367139667.db2.gz LFONMWHNBQTCLK-SNVBAGLBSA-N 1 1 281.312 1.236 10 5 CDBEMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCO ZINC000440939322 367139671 /nfs/dbraw/zinc/13/96/71/367139671.db2.gz LFONMWHNBQTCLK-SNVBAGLBSA-N 1 1 281.312 1.236 10 5 CDBEMO CC(C)NC(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026349351 370283288 /nfs/dbraw/zinc/28/32/88/370283288.db2.gz CSKKBTNDWXKMDM-UHFFFAOYSA-N 1 1 279.340 1.941 10 5 CDBEMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000155147321 375418458 /nfs/dbraw/zinc/41/84/58/375418458.db2.gz LXBZPJBVVLXETJ-QWRGUYRKSA-N 1 1 277.324 1.759 10 5 CDBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000354566262 375726547 /nfs/dbraw/zinc/72/65/47/375726547.db2.gz CUDHFEHWPFOJAS-PHIMTYICSA-N 1 1 279.344 1.482 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CO)C1 ZINC000266919992 378666733 /nfs/dbraw/zinc/66/67/33/378666733.db2.gz LPHYXYGFJLRAPX-MNOVXSKESA-N 1 1 250.298 1.970 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000489874771 253014331 /nfs/dbraw/zinc/01/43/31/253014331.db2.gz MVADBNCKTFBWJM-VIFPVBQESA-N 1 1 259.269 1.613 10 5 CDBEMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])nc1 ZINC000432928411 390493251 /nfs/dbraw/zinc/49/32/51/390493251.db2.gz RQDWJFXIROWQIT-UHFFFAOYSA-N 1 1 294.355 1.537 10 5 CDBEMO CN(CC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])nc1 ZINC000432928411 390493252 /nfs/dbraw/zinc/49/32/52/390493252.db2.gz RQDWJFXIROWQIT-UHFFFAOYSA-N 1 1 294.355 1.537 10 5 CDBEMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000548826156 392514232 /nfs/dbraw/zinc/51/42/32/392514232.db2.gz XDOAOQIASJYGKL-NSHDSACASA-N 1 1 277.324 1.553 10 5 CDBEMO C[N@H+]1C[C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000425291311 393017290 /nfs/dbraw/zinc/01/72/90/393017290.db2.gz ZXFKMLYLXDXEJM-DTWKUNHWSA-N 1 1 268.342 1.582 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c(F)c1 ZINC000425352434 393019998 /nfs/dbraw/zinc/01/99/98/393019998.db2.gz HMEPHVOKHQTPME-JTQLQIEISA-N 1 1 291.286 1.842 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c(F)c1 ZINC000425352434 393020004 /nfs/dbraw/zinc/02/00/04/393020004.db2.gz HMEPHVOKHQTPME-JTQLQIEISA-N 1 1 291.286 1.842 10 5 CDBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532395407 393073577 /nfs/dbraw/zinc/07/35/77/393073577.db2.gz FIHPMSZLFOVYEO-JTQLQIEISA-N 1 1 278.312 1.061 10 5 CDBEMO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)[C@H](C)O1 ZINC000446066865 393110902 /nfs/dbraw/zinc/11/09/02/393110902.db2.gz APWVGIHIMIYRAB-VWYCJHECSA-N 1 1 268.317 1.289 10 5 CDBEMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)[C@H](C)O1 ZINC000446066865 393110909 /nfs/dbraw/zinc/11/09/09/393110909.db2.gz APWVGIHIMIYRAB-VWYCJHECSA-N 1 1 268.317 1.289 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000302786482 393200897 /nfs/dbraw/zinc/20/08/97/393200897.db2.gz WDKNJTICSAZFID-NSHDSACASA-N 1 1 264.329 1.829 10 5 CDBEMO C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000093342586 147045997 /nfs/dbraw/zinc/04/59/97/147045997.db2.gz RSRMPSSBUMLVBF-GWCFXTLKSA-N 1 1 250.298 1.798 10 5 CDBEMO COc1cc(C[N@@H+](C)CC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000305862652 149175614 /nfs/dbraw/zinc/17/56/14/149175614.db2.gz YPZCFTQDDOBAGF-JTQLQIEISA-N 1 1 268.313 1.806 10 5 CDBEMO COc1ccc(C[N@H+]2CC[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000312836576 149239671 /nfs/dbraw/zinc/23/96/71/149239671.db2.gz OKVZOBLYICLOFC-ZDUSSCGKSA-N 1 1 280.324 1.949 10 5 CDBEMO C[N@@H+](CCCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000349919636 154272727 /nfs/dbraw/zinc/27/27/27/154272727.db2.gz HKWLOAJHGQURSD-ZDUSSCGKSA-N 1 1 298.339 1.039 10 5 CDBEMO Cc1cc(NS(=O)(=O)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000043570291 175068144 /nfs/dbraw/zinc/06/81/44/175068144.db2.gz MTIMNGSVERVQFY-NSHDSACASA-N 1 1 299.352 1.397 10 5 CDBEMO O=[N+]([O-])c1cccc(CN2CCC[N@H+](CCO)CC2)c1 ZINC000071350368 176134213 /nfs/dbraw/zinc/13/42/13/176134213.db2.gz CUAUEVCYNHNAAX-UHFFFAOYSA-N 1 1 279.340 1.095 10 5 CDBEMO Cc1c(C[N@H+]2CCC[C@](O)(CO)C2)cccc1[N+](=O)[O-] ZINC000313683661 261123808 /nfs/dbraw/zinc/12/38/08/261123808.db2.gz RFANJTYNNYTRGC-CQSZACIVSA-N 1 1 280.324 1.222 10 5 CDBEMO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc([N+](=O)[O-])c1 ZINC000368009081 274678687 /nfs/dbraw/zinc/67/86/87/274678687.db2.gz MDIAIECKIOSVHX-LLVKDONJSA-N 1 1 299.277 1.582 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCn1cccn1)C2 ZINC000153123200 289157416 /nfs/dbraw/zinc/15/74/16/289157416.db2.gz AXSXQHCLULVUEQ-UHFFFAOYSA-N 1 1 272.308 1.850 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCn1cccn1)C2 ZINC000153123200 289157418 /nfs/dbraw/zinc/15/74/18/289157418.db2.gz AXSXQHCLULVUEQ-UHFFFAOYSA-N 1 1 272.308 1.850 10 5 CDBEMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[NH+]1CC(C)(C)C1 ZINC000552964917 290087468 /nfs/dbraw/zinc/08/74/68/290087468.db2.gz BUCJTLJQQSQSJP-UHFFFAOYSA-N 1 1 291.351 1.895 10 5 CDBEMO COc1ccc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000401510429 518151411 /nfs/dbraw/zinc/15/14/11/518151411.db2.gz VNFFJXYPXTYODG-ZYHUDNBSSA-N 1 1 280.324 1.806 10 5 CDBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C)CC1 ZINC000184780078 518442395 /nfs/dbraw/zinc/44/23/95/518442395.db2.gz PPQLWRHQRIEWKR-VAWYXSNFSA-N 1 1 289.335 1.772 10 5 CDBEMO CC[N@H+]1CCC[C@H]1CNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454911 521659433 /nfs/dbraw/zinc/65/94/33/521659433.db2.gz WFYIFOJIKPEUCF-QMMMGPOBSA-N 1 1 285.735 1.934 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000062540217 523600710 /nfs/dbraw/zinc/60/07/10/523600710.db2.gz HTJCJCOHXGLNHB-QMMMGPOBSA-N 1 1 272.232 1.003 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)c2cc(N)c(F)cc2[N+](=O)[O-])C1 ZINC000050705819 523817444 /nfs/dbraw/zinc/81/74/44/523817444.db2.gz BWMKAEHNYXTWKA-MRVPVSSYSA-N 1 1 296.302 1.140 10 5 CDBEMO COC(=O)[C@](C)([NH3+])C[C@@H](C)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000068651055 524002752 /nfs/dbraw/zinc/00/27/52/524002752.db2.gz QFBRBUASNOCFMZ-QMTHXVAHSA-N 1 1 296.323 1.951 10 5 CDBEMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183390771 524080587 /nfs/dbraw/zinc/08/05/87/524080587.db2.gz QGWJLMSIMXIEDR-NSHDSACASA-N 1 1 279.340 1.717 10 5 CDBEMO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928455028 619119325 /nfs/dbraw/zinc/11/93/25/619119325.db2.gz OQUDMRRDYRRILL-GXFFZTMASA-N 1 1 277.324 1.346 10 5 CDBEMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000913535822 630530286 /nfs/dbraw/zinc/53/02/86/630530286.db2.gz YDOCAJWIDUIPCG-PHIMTYICSA-N 1 1 290.323 1.096 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000913535822 630530293 /nfs/dbraw/zinc/53/02/93/630530293.db2.gz YDOCAJWIDUIPCG-PHIMTYICSA-N 1 1 290.323 1.096 10 5 CDBEMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001642523955 1167179100 /nfs/dbraw/zinc/17/91/00/1167179100.db2.gz FCURRZXHLUCZNV-PHIMTYICSA-N 1 1 290.323 1.096 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001642523955 1167179104 /nfs/dbraw/zinc/17/91/04/1167179104.db2.gz FCURRZXHLUCZNV-PHIMTYICSA-N 1 1 290.323 1.096 10 5 CDBEMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001655716555 1171718893 /nfs/dbraw/zinc/71/88/93/1171718893.db2.gz IHHFSYMOXLQHDP-LLVKDONJSA-N 1 1 285.307 1.769 10 5 CDBEMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001655716555 1171718894 /nfs/dbraw/zinc/71/88/94/1171718894.db2.gz IHHFSYMOXLQHDP-LLVKDONJSA-N 1 1 285.307 1.769 10 5 CDBEMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001586979478 1172966575 /nfs/dbraw/zinc/96/65/75/1172966575.db2.gz FSPLQRYIYLIUNV-JTQLQIEISA-N 1 1 295.343 1.264 10 5 CDBEMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1=CCCCC1 ZINC001707377622 1178004233 /nfs/dbraw/zinc/00/42/33/1178004233.db2.gz RPDSKRUVWMIMDF-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1=CCCCC1 ZINC001707377622 1178004237 /nfs/dbraw/zinc/00/42/37/1178004237.db2.gz RPDSKRUVWMIMDF-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1=CCCCC1 ZINC001707377622 1178004245 /nfs/dbraw/zinc/00/42/45/1178004245.db2.gz RPDSKRUVWMIMDF-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801556078 782597457 /nfs/dbraw/zinc/59/74/57/782597457.db2.gz VYYVILLYKVVNAG-GWCFXTLKSA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000814038969 781047297 /nfs/dbraw/zinc/04/72/97/781047297.db2.gz JOLXWMJVEKMXQR-JSGCOSHPSA-N 1 1 292.335 1.859 10 5 CDBEMO C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000814038969 781047305 /nfs/dbraw/zinc/04/73/05/781047305.db2.gz JOLXWMJVEKMXQR-JSGCOSHPSA-N 1 1 292.335 1.859 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000931389587 781205714 /nfs/dbraw/zinc/20/57/14/781205714.db2.gz GKQOBFGEHFMSMB-TXEJJXNPSA-N 1 1 277.324 1.579 10 5 CDBEMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000931389587 781205725 /nfs/dbraw/zinc/20/57/25/781205725.db2.gz GKQOBFGEHFMSMB-TXEJJXNPSA-N 1 1 277.324 1.579 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000931389587 781205732 /nfs/dbraw/zinc/20/57/32/781205732.db2.gz GKQOBFGEHFMSMB-TXEJJXNPSA-N 1 1 277.324 1.579 10 5 CDBEMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719625933 781329609 /nfs/dbraw/zinc/32/96/09/781329609.db2.gz QBEZEGSSCXYCET-PSASIEDQSA-N 1 1 267.333 1.395 10 5 CDBEMO O=C(NC12CC[NH+](CC1)C2)c1cc([N+](=O)[O-])ccc1F ZINC000715586143 781905023 /nfs/dbraw/zinc/90/50/23/781905023.db2.gz QUSLESKYMNTGIC-UHFFFAOYSA-N 1 1 279.271 1.312 10 5 CDBEMO CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001644496359 1167323819 /nfs/dbraw/zinc/32/38/19/1167323819.db2.gz JWJWAJFLPAHPOK-GFCCVEGCSA-N 1 1 292.339 1.488 10 5 CDBEMO CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001644496359 1167323825 /nfs/dbraw/zinc/32/38/25/1167323825.db2.gz JWJWAJFLPAHPOK-GFCCVEGCSA-N 1 1 292.339 1.488 10 5 CDBEMO C[N@H+](CCNC(=O)C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001567269870 1168645050 /nfs/dbraw/zinc/64/50/50/1168645050.db2.gz WBNCUFNJJSNQIV-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO C[N@@H+](CCNC(=O)C1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001567269870 1168645053 /nfs/dbraw/zinc/64/50/53/1168645053.db2.gz WBNCUFNJJSNQIV-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001175113032 913452025 /nfs/dbraw/zinc/45/20/25/913452025.db2.gz XCILXFSMEGUOBR-JQWIXIFHSA-N 1 1 292.291 1.208 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001175113032 913452036 /nfs/dbraw/zinc/45/20/36/913452036.db2.gz XCILXFSMEGUOBR-JQWIXIFHSA-N 1 1 292.291 1.208 10 5 CDBEMO Cc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001567494272 1168810433 /nfs/dbraw/zinc/81/04/33/1168810433.db2.gz WAVMXGDWYSARBB-ZIAGYGMSSA-N 1 1 291.351 1.208 10 5 CDBEMO O=C(NCc1ccc(C[NH2+]CCF)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001267935945 900006506 /nfs/dbraw/zinc/00/65/06/900006506.db2.gz AYVMYOVASVKSQD-CHWSQXEVSA-N 1 1 295.314 1.027 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000712538205 909583936 /nfs/dbraw/zinc/58/39/36/909583936.db2.gz OROYEKKKICDDNJ-QMMMGPOBSA-N 1 1 251.290 1.078 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC001185222400 919485862 /nfs/dbraw/zinc/48/58/62/919485862.db2.gz QTGPODJNUCBMCR-SECBINFHSA-N 1 1 276.300 1.435 10 5 CDBEMO O=C(c1csc([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000828207929 926072193 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AXTSIYHYNJONQL-UHFFFAOYSA-N 1 1 295.339 1.108 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000408071289 357806521 /nfs/dbraw/zinc/80/65/21/357806521.db2.gz BTPVIUJBCQGFFS-AAEUAGOBSA-N 1 1 291.351 1.969 10 5 CDBEMO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000408071289 357806522 /nfs/dbraw/zinc/80/65/22/357806522.db2.gz BTPVIUJBCQGFFS-AAEUAGOBSA-N 1 1 291.351 1.969 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000408071289 357806524 /nfs/dbraw/zinc/80/65/24/357806524.db2.gz BTPVIUJBCQGFFS-AAEUAGOBSA-N 1 1 291.351 1.969 10 5 CDBEMO CO[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000189257671 357989854 /nfs/dbraw/zinc/98/98/54/357989854.db2.gz HQSZOEQJNVXVCL-JQWIXIFHSA-N 1 1 268.317 1.148 10 5 CDBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000408113501 358157851 /nfs/dbraw/zinc/15/78/51/358157851.db2.gz STYPHBHLGQQXHP-SNVBAGLBSA-N 1 1 263.297 1.371 10 5 CDBEMO 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293.352 1.702 10 5 CDBEMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000575776826 317013650 /nfs/dbraw/zinc/01/36/50/317013650.db2.gz AQTSELZYLPJVAW-NSHDSACASA-N 1 1 292.339 1.464 10 5 CDBEMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000575776826 317013654 /nfs/dbraw/zinc/01/36/54/317013654.db2.gz AQTSELZYLPJVAW-NSHDSACASA-N 1 1 292.339 1.464 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1cc([N+](=O)[O-])ccc1OC ZINC000062540391 521257688 /nfs/dbraw/zinc/25/76/88/521257688.db2.gz PNDBWJCZQRYSEA-SNVBAGLBSA-N 1 1 298.295 1.263 10 5 CDBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCCC[C@H]1CO ZINC000062727279 527397368 /nfs/dbraw/zinc/39/73/68/527397368.db2.gz SUUCPVFABKHEIB-ZDUSSCGKSA-N 1 1 264.325 1.984 10 5 CDBEMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCOC1 ZINC000291783729 528915974 /nfs/dbraw/zinc/91/59/74/528915974.db2.gz MJXSFVUKELZCQC-ZDUSSCGKSA-N 1 1 295.339 1.256 10 5 CDBEMO [NH3+][C@@H]1C[C@@H](NCCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000925515038 617422455 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COCCN(C)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030593 1165374003 /nfs/dbraw/zinc/37/40/03/1165374003.db2.gz IGYXAIQPPLOYAL-NSHDSACASA-N 1 1 299.346 1.963 10 5 CDBEMO C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001612917627 1165525496 /nfs/dbraw/zinc/52/54/96/1165525496.db2.gz YFCOTPOYMQHZEW-NSHDSACASA-N 1 1 293.371 1.781 10 5 CDBEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001565563236 1168154285 /nfs/dbraw/zinc/15/42/85/1168154285.db2.gz YHRHPJIUDNSDNO-SECBINFHSA-N 1 1 295.343 1.032 10 5 CDBEMO CC[N@@H+]1CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001566406216 1168266644 /nfs/dbraw/zinc/26/66/44/1168266644.db2.gz RXQNTVMGBXSEQL-GFCCVEGCSA-N 1 1 297.742 1.959 10 5 CDBEMO CC[N@H+]1CC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001566406216 1168266650 /nfs/dbraw/zinc/26/66/50/1168266650.db2.gz RXQNTVMGBXSEQL-GFCCVEGCSA-N 1 1 297.742 1.959 10 5 CDBEMO O=C(NCCC[N@@H+](CC1CCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731333932 1182325543 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O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](O)(CO)C2)cc1F ZINC000313617926 900457549 /nfs/dbraw/zinc/45/75/49/900457549.db2.gz BKCRKJNNDSRYPW-CYBMUJFWSA-N 1 1 284.287 1.053 10 5 CDBEMO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000852502177 927799563 /nfs/dbraw/zinc/79/95/63/927799563.db2.gz BISVHJXJABBYNG-IDTSFGKNSA-N 1 1 294.351 1.577 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000823133416 931259111 /nfs/dbraw/zinc/25/91/11/931259111.db2.gz PFOUYGFEEJMBHR-JTQLQIEISA-N 1 1 257.334 1.032 10 5 CDBEMO CCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001144948143 932137789 /nfs/dbraw/zinc/13/77/89/932137789.db2.gz WXQYUAUQYXALOV-UHFFFAOYSA-N 1 1 294.355 1.639 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000930992886 933485001 /nfs/dbraw/zinc/48/50/01/933485001.db2.gz FNQYODLPUBZCHN-UTUOFQBUSA-N 1 1 270.329 1.317 10 5 CDBEMO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931468015 933568435 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C[C@H]1[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])CC[N@H+]1C ZINC000719621461 934857603 /nfs/dbraw/zinc/85/76/03/934857603.db2.gz BMCMDACOHVYMEE-CBAPKCEASA-N 1 1 270.720 1.570 10 5 CDBEMO CN(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320000227 958860484 /nfs/dbraw/zinc/86/04/84/958860484.db2.gz OTAHYMCQKNXGGF-CHWSQXEVSA-N 1 1 297.399 1.478 10 5 CDBEMO CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320000227 958860504 /nfs/dbraw/zinc/86/05/04/958860504.db2.gz OTAHYMCQKNXGGF-CHWSQXEVSA-N 1 1 297.399 1.478 10 5 CDBEMO CN(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001320000227 958860521 /nfs/dbraw/zinc/86/05/21/958860521.db2.gz OTAHYMCQKNXGGF-CHWSQXEVSA-N 1 1 297.399 1.478 10 5 CDBEMO CCc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC001558292359 965258219 /nfs/dbraw/zinc/25/82/19/965258219.db2.gz XRKDSIXERZHSLG-UHFFFAOYSA-N 1 1 291.311 1.122 10 5 CDBEMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001558511907 965303932 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C[N@@H+]1CC=C(CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401143910 342478071 /nfs/dbraw/zinc/47/80/71/342478071.db2.gz ALWKRKLCGJVIHY-UHFFFAOYSA-N 1 1 266.276 1.803 10 5 CDBEMO COCC[N@H+]1CCC[C@@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401146682 342478274 /nfs/dbraw/zinc/47/82/74/342478274.db2.gz HVBVJNAQLVXWSQ-LLVKDONJSA-N 1 1 298.318 1.652 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590009515 342519121 /nfs/dbraw/zinc/51/91/21/342519121.db2.gz SHCATTMFOWUTTN-SMDDNHRTSA-N 1 1 291.351 1.739 10 5 CDBEMO [NH3+]CC(F)(F)CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000565151187 365596604 /nfs/dbraw/zinc/59/66/04/365596604.db2.gz OQXSYHQFIMTKEI-UHFFFAOYSA-N 1 1 299.237 1.394 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[NH2+]CC1 ZINC000593725544 342829367 /nfs/dbraw/zinc/82/93/67/342829367.db2.gz PKBRWJOKLFEVLO-UHFFFAOYSA-N 1 1 251.286 1.096 10 5 CDBEMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619253377 349660368 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C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC(CO)(CO)C1 ZINC000595799625 343157425 /nfs/dbraw/zinc/15/74/25/343157425.db2.gz NHNYXLCSMRNCCF-NSHDSACASA-N 1 1 280.324 1.333 10 5 CDBEMO O=[N+]([O-])c1ncccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596541503 343346546 /nfs/dbraw/zinc/34/65/46/343346546.db2.gz YKILVKBKHFMPBC-GFCCVEGCSA-N 1 1 292.339 1.025 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1COCCO1)C2 ZINC000565932803 365758566 /nfs/dbraw/zinc/75/85/66/365758566.db2.gz LEEBOZMLKNRBJG-GFCCVEGCSA-N 1 1 278.308 1.368 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1COCCO1)C2 ZINC000565932803 365758570 /nfs/dbraw/zinc/75/85/70/365758570.db2.gz LEEBOZMLKNRBJG-GFCCVEGCSA-N 1 1 278.308 1.368 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000597944412 343675069 /nfs/dbraw/zinc/67/50/69/343675069.db2.gz CEHRDNWBTRMPIR-CYBMUJFWSA-N 1 1 277.324 1.761 10 5 CDBEMO CC[N@H+]1CCC[C@H]1CNc1ncnc(NC)c1[N+](=O)[O-] ZINC000085538665 179092379 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C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295823076 370670100 /nfs/dbraw/zinc/67/01/00/370670100.db2.gz CASWBFAULDDVEG-ZANVPECISA-N 1 1 295.295 1.848 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000573183569 361707252 /nfs/dbraw/zinc/70/72/52/361707252.db2.gz KHRSDNVTQMWARG-GFCCVEGCSA-N 1 1 280.328 1.171 10 5 CDBEMO COCC[N@@H+](C)CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771904 367002053 /nfs/dbraw/zinc/00/20/53/367002053.db2.gz KQISVOUPZRXMQI-UHFFFAOYSA-N 1 1 293.327 1.461 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@H](O)C1 ZINC000295488435 370399746 /nfs/dbraw/zinc/39/97/46/370399746.db2.gz GVEDYSOBLMOIAM-ZWNOBZJWSA-N 1 1 266.297 1.349 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@H](O)C1 ZINC000295488435 370399751 /nfs/dbraw/zinc/39/97/51/370399751.db2.gz GVEDYSOBLMOIAM-ZWNOBZJWSA-N 1 1 266.297 1.349 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCC[NH2+]C1 ZINC000414831901 370485924 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GAHTWGYWFKISJZ-UHFFFAOYSA-N 1 1 288.267 1.519 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000040690820 174377084 /nfs/dbraw/zinc/37/70/84/174377084.db2.gz TVSVEPOANOGITL-VIFPVBQESA-N 1 1 281.287 1.558 10 5 CDBEMO O=[N+]([O-])c1ccnc(NCCC[NH+]2CCOCC2)c1 ZINC000043567711 175067256 /nfs/dbraw/zinc/06/72/56/175067256.db2.gz ZQVDHTVXNOEWOR-UHFFFAOYSA-N 1 1 266.301 1.124 10 5 CDBEMO COc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000278862541 274096936 /nfs/dbraw/zinc/09/69/36/274096936.db2.gz YLLMNAFQBKSIBK-AOOOYVTPSA-N 1 1 295.314 1.740 10 5 CDBEMO COc1ccc([N+](=O)[O-])c(N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000338710368 274118387 /nfs/dbraw/zinc/11/83/87/274118387.db2.gz RSSKIYFSNLGVKM-NSHDSACASA-N 1 1 295.339 1.106 10 5 CDBEMO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000338710368 274118389 /nfs/dbraw/zinc/11/83/89/274118389.db2.gz RSSKIYFSNLGVKM-NSHDSACASA-N 1 1 295.339 1.106 10 5 CDBEMO COc1cc(C[N@H+](C)[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC 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NNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CCCO ZINC000052763268 527282314 /nfs/dbraw/zinc/28/23/14/527282314.db2.gz YKDIDUAFTVKGHS-LBPRGKRZSA-N 1 1 294.355 1.617 10 5 CDBEMO [NH3+][C@H]1C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000925598994 617542676 /nfs/dbraw/zinc/54/26/76/617542676.db2.gz VRPFVFBVEHRCND-UONOGXRCSA-N 1 1 291.351 1.833 10 5 CDBEMO Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000923912451 621573360 /nfs/dbraw/zinc/57/33/60/621573360.db2.gz YPOXQPAAPSLAFJ-GFCCVEGCSA-N 1 1 292.339 1.407 10 5 CDBEMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000913537405 630532359 /nfs/dbraw/zinc/53/23/59/630532359.db2.gz HORLKCSWEIZSHS-PHIMTYICSA-N 1 1 293.298 1.653 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000913537405 630532361 /nfs/dbraw/zinc/53/23/61/630532361.db2.gz HORLKCSWEIZSHS-PHIMTYICSA-N 1 1 293.298 1.653 10 5 CDBEMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001565563237 1168154861 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1.223 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000231667315 1178172904 /nfs/dbraw/zinc/17/29/04/1178172904.db2.gz MATCKXCDEIGVNS-VIFPVBQESA-N 1 1 265.317 1.225 10 5 CDBEMO O=C1OCC[C@@]12CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001620684019 1165666129 /nfs/dbraw/zinc/66/61/29/1165666129.db2.gz YVVSHXYIPOZUHR-CQSZACIVSA-N 1 1 276.292 1.734 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)c1 ZINC000710073437 783886743 /nfs/dbraw/zinc/88/67/43/783886743.db2.gz FNZKRSVWIHWUKH-JTQLQIEISA-N 1 1 279.296 1.497 10 5 CDBEMO CC1(C)CC[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000866697715 785816227 /nfs/dbraw/zinc/81/62/27/785816227.db2.gz WNEGDMNDTJDDIW-UHFFFAOYSA-N 1 1 279.340 1.874 10 5 CDBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000860131001 785842057 /nfs/dbraw/zinc/84/20/57/785842057.db2.gz NOVBENHGXOCWDB-OADPDTJPSA-N 1 1 292.335 1.473 10 5 CDBEMO CCN(OC)C(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000842768149 786049557 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276.292 1.659 10 5 CDBEMO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880439740 786837901 /nfs/dbraw/zinc/83/79/01/786837901.db2.gz IRWIRIRALIURMG-MWLCHTKSSA-N 1 1 290.323 1.816 10 5 CDBEMO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000880439740 786837907 /nfs/dbraw/zinc/83/79/07/786837907.db2.gz IRWIRIRALIURMG-MWLCHTKSSA-N 1 1 290.323 1.816 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782623172 788893608 /nfs/dbraw/zinc/89/36/08/788893608.db2.gz ZGGNRMYCULHJBS-QKCSRTOESA-N 1 1 262.309 1.970 10 5 CDBEMO CCc1nn(C)c(N[C@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000719625936 789078192 /nfs/dbraw/zinc/07/81/92/789078192.db2.gz QBEZEGSSCXYCET-SCZZXKLOSA-N 1 1 267.333 1.395 10 5 CDBEMO COc1cccc([C@@]2(C)CC[N@@H+](CC[N+](=O)[O-])C2)c1 ZINC000931018367 789495171 /nfs/dbraw/zinc/49/51/71/789495171.db2.gz CEQWQYUJFDDEPK-AWEZNQCLSA-N 1 1 264.325 1.935 10 5 CDBEMO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CC[N+](=O)[O-])CC2)n1 ZINC000930852100 789568709 /nfs/dbraw/zinc/56/87/09/789568709.db2.gz AGNQNSMHXSRUIC-ZYHUDNBSSA-N 1 1 294.355 1.724 10 5 CDBEMO O=C1OC[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]12 ZINC001644055620 1167290858 /nfs/dbraw/zinc/29/08/58/1167290858.db2.gz HWRRQGZUXDTUPS-UWVGGRQHSA-N 1 1 296.710 1.853 10 5 CDBEMO O=C1OC[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]12 ZINC001644055620 1167290863 /nfs/dbraw/zinc/29/08/63/1167290863.db2.gz HWRRQGZUXDTUPS-UWVGGRQHSA-N 1 1 296.710 1.853 10 5 CDBEMO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001569387679 1167560640 /nfs/dbraw/zinc/56/06/40/1167560640.db2.gz RYDVSCOHNSCWQU-UHFFFAOYSA-N 1 1 295.364 1.805 10 5 CDBEMO CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001177809821 914954986 /nfs/dbraw/zinc/95/49/86/914954986.db2.gz CHIWFUSNQRNKNJ-SECBINFHSA-N 1 1 281.316 1.377 10 5 CDBEMO CC[C@H](C[N+](=O)[O-])OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001263623206 943917923 /nfs/dbraw/zinc/91/79/23/943917923.db2.gz LGZFGEBBCUDDRK-MFKMUULPSA-N 1 1 290.335 1.797 10 5 CDBEMO C[N@H+](CCNC(=O)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001480835654 971900114 /nfs/dbraw/zinc/90/01/14/971900114.db2.gz NTHCCIXDPVIHJJ-UHFFFAOYSA-N 1 1 277.324 1.553 10 5 CDBEMO C[N@@H+](CCNC(=O)C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001480835654 971900118 /nfs/dbraw/zinc/90/01/18/971900118.db2.gz NTHCCIXDPVIHJJ-UHFFFAOYSA-N 1 1 277.324 1.553 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001345216057 964635509 /nfs/dbraw/zinc/63/55/09/964635509.db2.gz TUCKLTRPZIWSCC-ZIAGYGMSSA-N 1 1 278.308 1.493 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@]23CCOC3)c1 ZINC001345216057 964635514 /nfs/dbraw/zinc/63/55/14/964635514.db2.gz TUCKLTRPZIWSCC-ZIAGYGMSSA-N 1 1 278.308 1.493 10 5 CDBEMO Cc1n[nH]c(C(=O)NCC[N@H+]2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC001558754797 965346839 /nfs/dbraw/zinc/34/68/39/965346839.db2.gz WEZYGDTVNGVNBH-UHFFFAOYSA-N 1 1 295.343 1.088 10 5 CDBEMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001520876901 970234250 /nfs/dbraw/zinc/23/42/50/970234250.db2.gz JDXKSHUTHRSZDX-WCQGTBRESA-N 1 1 292.339 1.003 10 5 CDBEMO C[C@@H](CO)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000586773205 342468282 /nfs/dbraw/zinc/46/82/82/342468282.db2.gz NPEUBUVIRNRWIQ-LLVKDONJSA-N 1 1 252.314 1.698 10 5 CDBEMO COCC[N@H+]1CCC[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601111260 342468812 /nfs/dbraw/zinc/46/88/12/342468812.db2.gz PVNIYTQVHURZJK-LLVKDONJSA-N 1 1 298.318 1.652 10 5 CDBEMO C[C@](CO)([NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000601149155 342482302 /nfs/dbraw/zinc/48/23/02/342482302.db2.gz JZGOMTSPYWXSPQ-OAHLLOKOSA-N 1 1 287.319 1.987 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011968 342519751 /nfs/dbraw/zinc/51/97/51/342519751.db2.gz NRICBASTEWZVGC-SWLSCSKDSA-N 1 1 291.351 1.610 10 5 CDBEMO CN1C[C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011968 342519752 /nfs/dbraw/zinc/51/97/52/342519752.db2.gz NRICBASTEWZVGC-SWLSCSKDSA-N 1 1 291.351 1.610 10 5 CDBEMO CN1C[C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011968 342519753 /nfs/dbraw/zinc/51/97/53/342519753.db2.gz NRICBASTEWZVGC-SWLSCSKDSA-N 1 1 291.351 1.610 10 5 CDBEMO C[C@@H]1C[C@H]([NH3+])CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000601329473 342554560 /nfs/dbraw/zinc/55/45/60/342554560.db2.gz JIMZODPUGZAOLH-SCZZXKLOSA-N 1 1 251.286 1.222 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252674 342149658 /nfs/dbraw/zinc/14/96/58/342149658.db2.gz MRMHMOCVLAEMCK-ZJUUUORDSA-N 1 1 297.286 1.446 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCNC1=O ZINC000595053208 343000178 /nfs/dbraw/zinc/00/01/78/343000178.db2.gz DGGCQOQJMZMLNH-KWQFWETISA-N 1 1 279.296 1.143 10 5 CDBEMO CO[C@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC[C@@H]1C ZINC000595459289 343069196 /nfs/dbraw/zinc/06/91/96/343069196.db2.gz MEMGWHALGHZHSQ-WPRPVWTQSA-N 1 1 269.301 1.748 10 5 CDBEMO CO[C@H]1C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CC[C@@H]1C ZINC000595459289 343069198 /nfs/dbraw/zinc/06/91/98/343069198.db2.gz MEMGWHALGHZHSQ-WPRPVWTQSA-N 1 1 269.301 1.748 10 5 CDBEMO CC[C@@H](CO)[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078670708 342339531 /nfs/dbraw/zinc/33/95/31/342339531.db2.gz FJKPXUVUABWOJG-LBPRGKRZSA-N 1 1 294.355 1.191 10 5 CDBEMO Cc1noc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1[N+](=O)[O-] ZINC000595781545 343154544 /nfs/dbraw/zinc/15/45/44/343154544.db2.gz MAZISUGQMZFRTM-ZJUUUORDSA-N 1 1 267.285 1.284 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC3(COC3)C2)cc1 ZINC000595833452 343169997 /nfs/dbraw/zinc/16/99/97/343169997.db2.gz JOOIWRWSRLRKDB-UHFFFAOYSA-N 1 1 262.309 1.860 10 5 CDBEMO CC12CC(C1)C[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595920278 343191668 /nfs/dbraw/zinc/19/16/68/343191668.db2.gz PYJSZPCTHNHGMB-MQYJIDSJSA-N 1 1 292.335 1.819 10 5 CDBEMO C[N@@H+]1CCO[C@H](CSc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596285898 343288125 /nfs/dbraw/zinc/28/81/25/343288125.db2.gz OUJUXYHYBWHILQ-QMMMGPOBSA-N 1 1 285.325 1.118 10 5 CDBEMO C[N@H+]1CCO[C@H](CSc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596285898 343288127 /nfs/dbraw/zinc/28/81/27/343288127.db2.gz OUJUXYHYBWHILQ-QMMMGPOBSA-N 1 1 285.325 1.118 10 5 CDBEMO O=[N+]([O-])c1cccnc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537887 343345688 /nfs/dbraw/zinc/34/56/88/343345688.db2.gz JHFSXFMSDYMRPW-GFCCVEGCSA-N 1 1 292.339 1.025 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597577915 343576082 /nfs/dbraw/zinc/57/60/82/343576082.db2.gz HTJUCNVESSTOBT-KOLCDFICSA-N 1 1 296.302 1.181 10 5 CDBEMO CCC[N@H+]1CC[C@@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000598341628 343770302 /nfs/dbraw/zinc/77/03/02/343770302.db2.gz DZMCGRGZAHJAPF-SNVBAGLBSA-N 1 1 295.343 1.025 10 5 CDBEMO C[C@@]1(O)CC[NH2+][C@@H](c2ccc(F)cc2)[C@@H]1[N+](=O)[O-] ZINC000584608788 346498583 /nfs/dbraw/zinc/49/85/83/346498583.db2.gz MDJYQHXEQROIBY-SDDRHHMPSA-N 1 1 254.261 1.256 10 5 CDBEMO CC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000578653073 356769270 /nfs/dbraw/zinc/76/92/70/356769270.db2.gz IKBDMXDSFFQJAD-UHFFFAOYSA-N 1 1 265.313 1.471 10 5 CDBEMO COC[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000234867804 358797874 /nfs/dbraw/zinc/79/78/74/358797874.db2.gz BXSYRFBRIDBSRM-SECBINFHSA-N 1 1 274.704 1.345 10 5 CDBEMO Cc1c(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cccc1[N+](=O)[O-] ZINC000408294589 358978641 /nfs/dbraw/zinc/97/86/41/358978641.db2.gz NQYXCGNWLMQZCE-CABCVRRESA-N 1 1 291.351 1.418 10 5 CDBEMO Cc1c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cccc1[N+](=O)[O-] ZINC000408294589 358978648 /nfs/dbraw/zinc/97/86/48/358978648.db2.gz NQYXCGNWLMQZCE-CABCVRRESA-N 1 1 291.351 1.418 10 5 CDBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCNC1=O ZINC000338348760 359121439 /nfs/dbraw/zinc/12/14/39/359121439.db2.gz JUIZFLDRRBDAAN-CYBMUJFWSA-N 1 1 277.324 1.348 10 5 CDBEMO C[C@@]12CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]1C2(F)F ZINC000298187850 200355290 /nfs/dbraw/zinc/35/52/90/200355290.db2.gz AWRSWFXMAWEWJY-GXSJLCMTSA-N 1 1 286.282 1.768 10 5 CDBEMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CC[N@H+]1C ZINC000090795247 360221935 /nfs/dbraw/zinc/22/19/35/360221935.db2.gz NFBBGNOTMHUSEU-VHSXEESVSA-N 1 1 250.302 1.884 10 5 CDBEMO CC1=CC[N@@H+](CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000302139479 201359024 /nfs/dbraw/zinc/35/90/24/201359024.db2.gz GCBAGWRYQLBJFF-UHFFFAOYSA-N 1 1 278.316 1.031 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351820097 369264948 /nfs/dbraw/zinc/26/49/48/369264948.db2.gz NMWNFGHLOZOZSW-GIPNMCIBSA-N 1 1 250.298 1.968 10 5 CDBEMO CN1CCN(CCNc2cccc([N+](=O)[O-])c2)CC1 ZINC000037760108 370081771 /nfs/dbraw/zinc/08/17/71/370081771.db2.gz FPMMQVDDBNLMRW-UHFFFAOYSA-N 1 1 264.329 1.254 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367994770 371298714 /nfs/dbraw/zinc/29/87/14/371298714.db2.gz VARNRGXDEMQMRQ-SNVBAGLBSA-N 1 1 285.250 1.274 10 5 CDBEMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cn1 ZINC000370514165 374394282 /nfs/dbraw/zinc/39/42/82/374394282.db2.gz 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COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267078256 376989971 /nfs/dbraw/zinc/98/99/71/376989971.db2.gz XFLFFIBKICODRT-SNVBAGLBSA-N 1 1 282.271 1.729 10 5 CDBEMO C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000093344645 378068944 /nfs/dbraw/zinc/06/89/44/378068944.db2.gz WPZOFHDITLHLQR-AAEUAGOBSA-N 1 1 280.324 1.676 10 5 CDBEMO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000194632626 378448659 /nfs/dbraw/zinc/44/86/59/378448659.db2.gz GQNNKYOEPKXCNF-VIFPVBQESA-N 1 1 283.353 1.870 10 5 CDBEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000194632626 378448664 /nfs/dbraw/zinc/44/86/64/378448664.db2.gz GQNNKYOEPKXCNF-VIFPVBQESA-N 1 1 283.353 1.870 10 5 CDBEMO Cc1c(CN2CC[N@H+](CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000452116303 391049768 /nfs/dbraw/zinc/04/97/68/391049768.db2.gz MTTYGNDTAQAYFB-GFCCVEGCSA-N 1 1 293.367 1.402 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cn1 ZINC000264902752 391562065 /nfs/dbraw/zinc/56/20/65/391562065.db2.gz BZBNGLIIXODTRR-PWSUYJOCSA-N 1 1 262.313 1.663 10 5 CDBEMO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000488760933 392725980 /nfs/dbraw/zinc/72/59/80/392725980.db2.gz NFGMQFRTHWKPDP-UWVGGRQHSA-N 1 1 298.314 1.945 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000488760933 392725989 /nfs/dbraw/zinc/72/59/89/392725989.db2.gz NFGMQFRTHWKPDP-UWVGGRQHSA-N 1 1 298.314 1.945 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421702074 392942625 /nfs/dbraw/zinc/94/26/25/392942625.db2.gz JGJWCJFMDJMLAL-LLVKDONJSA-N 1 1 292.339 1.464 10 5 CDBEMO COc1cc(C[N@H+]2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000426227835 393039508 /nfs/dbraw/zinc/03/95/08/393039508.db2.gz NSAHSZPEDVCHKA-GFCCVEGCSA-N 1 1 280.324 1.950 10 5 CDBEMO O=C(C[NH2+]Cc1csc([N+](=O)[O-])c1)NCc1ccco1 ZINC000237946837 140260763 /nfs/dbraw/zinc/26/07/63/140260763.db2.gz XEFIOENZDXEGDC-UHFFFAOYSA-N 1 1 295.320 1.655 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ccn[nH]3)CC2)n1 ZINC000176223570 148029356 /nfs/dbraw/zinc/02/93/56/148029356.db2.gz FDRFCGQWYURTMQ-UHFFFAOYSA-N 1 1 290.327 1.394 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000362456912 159152561 /nfs/dbraw/zinc/15/25/61/159152561.db2.gz XOGFRFKIYVGDMA-WCQYABFASA-N 1 1 280.328 1.292 10 5 CDBEMO O=[N+]([O-])c1ccnc(NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000043567797 175067409 /nfs/dbraw/zinc/06/74/09/175067409.db2.gz LMMLVXYXPLQVSK-SNVBAGLBSA-N 1 1 262.313 1.886 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264858708 277079390 /nfs/dbraw/zinc/07/93/90/277079390.db2.gz DKPYXULVFOLNKL-NSHDSACASA-N 1 1 292.339 1.217 10 5 CDBEMO C[C@]1(C(N)=O)CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000185911961 280151878 /nfs/dbraw/zinc/15/18/78/280151878.db2.gz FDVWRUCGERONSR-OAHLLOKOSA-N 1 1 291.351 1.867 10 5 CDBEMO Cn1cc([C@@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000176229796 294278626 /nfs/dbraw/zinc/27/86/26/294278626.db2.gz OCVBHBILYBQINW-LBPRGKRZSA-N 1 1 290.327 1.362 10 5 CDBEMO COc1cc(C[N@H+](C)CCNC(C)=O)ccc1[N+](=O)[O-] ZINC000574874736 295067121 /nfs/dbraw/zinc/06/71/21/295067121.db2.gz NYOZROHARSMCJQ-UHFFFAOYSA-N 1 1 281.312 1.171 10 5 CDBEMO COc1cc(C[N@@H+](C)CCNC(C)=O)ccc1[N+](=O)[O-] ZINC000574874736 295067124 /nfs/dbraw/zinc/06/71/24/295067124.db2.gz NYOZROHARSMCJQ-UHFFFAOYSA-N 1 1 281.312 1.171 10 5 CDBEMO CC1=CC[N@@H+](CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000337018464 520870226 /nfs/dbraw/zinc/87/02/26/520870226.db2.gz OJQFGEQBGGRXKB-UHFFFAOYSA-N 1 1 268.342 1.537 10 5 CDBEMO CCNc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000050817191 520300748 /nfs/dbraw/zinc/30/07/48/520300748.db2.gz OGJIWVGQHWUVCU-GFCCVEGCSA-N 1 1 279.340 1.983 10 5 CDBEMO CC1=CC[N@H+](CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000337018464 520870217 /nfs/dbraw/zinc/87/02/17/520870217.db2.gz OJQFGEQBGGRXKB-UHFFFAOYSA-N 1 1 268.342 1.537 10 5 CDBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000050708134 521648388 /nfs/dbraw/zinc/64/83/88/521648388.db2.gz AJPGUTDUGKXCMJ-JTQLQIEISA-N 1 1 292.339 1.391 10 5 CDBEMO C[N@H+]1CCCN(C(=O)c2cc(N)c(F)cc2[N+](=O)[O-])CC1 ZINC000050693365 523803536 /nfs/dbraw/zinc/80/35/36/523803536.db2.gz LGSYVDKIALSQRP-UHFFFAOYSA-N 1 1 296.302 1.094 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000068650865 523819447 /nfs/dbraw/zinc/81/94/47/523819447.db2.gz OLRXCNYQQHPLOR-RNCFNFMXSA-N 1 1 282.296 1.643 10 5 CDBEMO Cc1nn(C[N@@H+](C)CC2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749939920 576969202 /nfs/dbraw/zinc/96/92/02/576969202.db2.gz WFCQJRNSLUUQMI-UHFFFAOYSA-N 1 1 275.312 1.947 10 5 CDBEMO CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001688931553 1175070866 /nfs/dbraw/zinc/07/08/66/1175070866.db2.gz IYBDTBPMBFKQGQ-AAVRWANBSA-N 1 1 297.399 1.572 10 5 CDBEMO C[N@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@]2(C)C1 ZINC000896913816 620304021 /nfs/dbraw/zinc/30/40/21/620304021.db2.gz VQEHYQRLSCTSRT-KCJUWKMLSA-N 1 1 268.342 1.439 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000902927006 625644928 /nfs/dbraw/zinc/64/49/28/625644928.db2.gz YLVDXOWFACKCIG-SKDRFNHKSA-N 1 1 278.312 1.809 10 5 CDBEMO Cc1sc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912921961 630290712 /nfs/dbraw/zinc/29/07/12/630290712.db2.gz HKXXPPYOAKUYRJ-SNVBAGLBSA-N 1 1 295.364 1.885 10 5 CDBEMO COc1ccccc1CC[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000104653573 790847353 /nfs/dbraw/zinc/84/73/53/790847353.db2.gz JAKDAMLANXRDOU-UHFFFAOYSA-N 1 1 290.323 1.932 10 5 CDBEMO COc1ccccc1CC[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000104653573 790847354 /nfs/dbraw/zinc/84/73/54/790847354.db2.gz JAKDAMLANXRDOU-UHFFFAOYSA-N 1 1 290.323 1.932 10 5 CDBEMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840675401 791125863 /nfs/dbraw/zinc/12/58/63/791125863.db2.gz XNIGTUAZBCZUCM-BFHYXJOUSA-N 1 1 290.319 1.469 10 5 CDBEMO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675401 791125876 /nfs/dbraw/zinc/12/58/76/791125876.db2.gz XNIGTUAZBCZUCM-BFHYXJOUSA-N 1 1 290.319 1.469 10 5 CDBEMO O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000840675401 791125879 /nfs/dbraw/zinc/12/58/79/791125879.db2.gz XNIGTUAZBCZUCM-BFHYXJOUSA-N 1 1 290.319 1.469 10 5 CDBEMO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000712537417 789887171 /nfs/dbraw/zinc/88/71/71/789887171.db2.gz CTEWUGALMGHFEG-SSDOTTSWSA-N 1 1 254.265 1.432 10 5 CDBEMO C[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000712537417 789887177 /nfs/dbraw/zinc/88/71/77/789887177.db2.gz CTEWUGALMGHFEG-SSDOTTSWSA-N 1 1 254.265 1.432 10 5 CDBEMO C[N@H+]1CC[C@@](O)(CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000702583871 793206413 /nfs/dbraw/zinc/20/64/13/793206413.db2.gz GQTUEGGYCLGRHJ-CYBMUJFWSA-N 1 1 299.758 1.404 10 5 CDBEMO C[N@H+]1C[C@@]2(C)CN(Cc3cccnc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931318897 793789885 /nfs/dbraw/zinc/78/98/85/793789885.db2.gz VLVDFEHTSMGKKK-GASCZTMLSA-N 1 1 290.367 1.763 10 5 CDBEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171573744 794091703 /nfs/dbraw/zinc/09/17/03/794091703.db2.gz QWRDZBORAORIEX-UWVGGRQHSA-N 1 1 295.314 1.820 10 5 CDBEMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000865998656 794426786 /nfs/dbraw/zinc/42/67/86/794426786.db2.gz QJONQTISWYDCDW-JTQLQIEISA-N 1 1 280.328 1.247 10 5 CDBEMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000775731390 794656271 /nfs/dbraw/zinc/65/62/71/794656271.db2.gz OINCEECHDYCYON-KBPBESRZSA-N 1 1 280.324 1.739 10 5 CDBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1CCO ZINC000842046661 795752138 /nfs/dbraw/zinc/75/21/38/795752138.db2.gz FWOFZCCTQOGDGL-MNOVXSKESA-N 1 1 297.330 1.625 10 5 CDBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C[N@H+]1CCO ZINC000842046661 795752164 /nfs/dbraw/zinc/75/21/64/795752164.db2.gz FWOFZCCTQOGDGL-MNOVXSKESA-N 1 1 297.330 1.625 10 5 CDBEMO CCCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272012918 907356303 /nfs/dbraw/zinc/35/63/03/907356303.db2.gz CIKSRDKFXJRTNQ-VXGBXAGGSA-N 1 1 271.361 1.232 10 5 CDBEMO CCCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272012918 907356316 /nfs/dbraw/zinc/35/63/16/907356316.db2.gz CIKSRDKFXJRTNQ-VXGBXAGGSA-N 1 1 271.361 1.232 10 5 CDBEMO CCCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001272012918 907356333 /nfs/dbraw/zinc/35/63/33/907356333.db2.gz CIKSRDKFXJRTNQ-VXGBXAGGSA-N 1 1 271.361 1.232 10 5 CDBEMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001124088714 936283362 /nfs/dbraw/zinc/28/33/62/936283362.db2.gz XUGRXSHARBOOEY-DRZSPHRISA-N 1 1 289.335 1.665 10 5 CDBEMO CCC(CC)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001264390938 944123901 /nfs/dbraw/zinc/12/39/01/944123901.db2.gz IYBDTBPMBFKQGQ-XJFOESAGSA-N 1 1 297.399 1.572 10 5 CDBEMO CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001479756822 971398831 /nfs/dbraw/zinc/39/88/31/971398831.db2.gz DIZJFQPYUTUIIT-UHFFFAOYSA-N 1 1 289.335 1.649 10 5 CDBEMO Cc1c(C[N@@H+](C)CCn2cnnc2)cccc1[N+](=O)[O-] ZINC001560114846 960857503 /nfs/dbraw/zinc/85/75/03/960857503.db2.gz DKZPFLQNAQJNRP-UHFFFAOYSA-N 1 1 275.312 1.627 10 5 CDBEMO Cc1[nH+]ccn1CCCN(C)c1nn(C)cc1[N+](=O)[O-] ZINC001458318612 969283459 /nfs/dbraw/zinc/28/34/59/969283459.db2.gz IVNBLRZBJRCLFU-UHFFFAOYSA-N 1 1 278.316 1.360 10 5 CDBEMO C[C@H]1[C@@H](O)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001460112982 969478263 /nfs/dbraw/zinc/47/82/63/969478263.db2.gz SAGBZJZXTUODNY-GWCFXTLKSA-N 1 1 266.297 1.429 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(N2CC[NH+](C3CCC3)CC2)n1 ZINC001655132442 1171670037 /nfs/dbraw/zinc/67/00/37/1171670037.db2.gz RWPZUKDSGBJNHC-UHFFFAOYSA-N 1 1 265.317 1.003 10 5 CDBEMO O=[N+]([O-])c1sccc1N1CC(C[NH+]2CCOCC2)C1 ZINC000601167069 342485277 /nfs/dbraw/zinc/48/52/77/342485277.db2.gz ZBOHQDFKJVKTCT-UHFFFAOYSA-N 1 1 283.353 1.425 10 5 CDBEMO CCCC[N@@H+](C)CCNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587977219 342487775 /nfs/dbraw/zinc/48/77/75/342487775.db2.gz ZRGOFQGOGJZZBU-UHFFFAOYSA-N 1 1 296.371 1.813 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cccc([N+](=O)[O-])c2)C1 ZINC000590012363 342519917 /nfs/dbraw/zinc/51/99/17/342519917.db2.gz RWUJDLOXOMIHDY-JSGCOSHPSA-N 1 1 261.325 1.731 10 5 CDBEMO Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590047162 342521149 /nfs/dbraw/zinc/52/11/49/342521149.db2.gz WJQNXCBKYAWOTR-GXTWGEPZSA-N 1 1 289.335 1.679 10 5 CDBEMO C[C@H]1C[C@@H]([NH3+])CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000601329474 342554617 /nfs/dbraw/zinc/55/46/17/342554617.db2.gz JIMZODPUGZAOLH-WCBMZHEXSA-N 1 1 251.286 1.222 10 5 CDBEMO CO[C@@]1(CO)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000401697177 342608111 /nfs/dbraw/zinc/60/81/11/342608111.db2.gz LOQHKYJWSQBHIW-AWEZNQCLSA-N 1 1 280.324 1.568 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000611617222 346838004 /nfs/dbraw/zinc/83/80/04/346838004.db2.gz RQEDLIHWLAUJJR-RYUDHWBXSA-N 1 1 294.355 1.738 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000611617222 346838009 /nfs/dbraw/zinc/83/80/09/346838009.db2.gz RQEDLIHWLAUJJR-RYUDHWBXSA-N 1 1 294.355 1.738 10 5 CDBEMO COC[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000593060932 342760869 /nfs/dbraw/zinc/76/08/69/342760869.db2.gz KBUXZRJGXCSVAW-QWHCGFSZSA-N 1 1 296.323 1.055 10 5 CDBEMO CC(C)C[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cn1 ZINC000593481250 342801281 /nfs/dbraw/zinc/80/12/81/342801281.db2.gz ZBFRFZYKXFWAKU-UHFFFAOYSA-N 1 1 266.345 1.802 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000593728040 342829655 /nfs/dbraw/zinc/82/96/55/342829655.db2.gz XAWFKGHPVMPHMB-GFCCVEGCSA-N 1 1 277.324 1.627 10 5 CDBEMO C[NH2+]CCOCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000600731260 342245795 /nfs/dbraw/zinc/24/57/95/342245795.db2.gz QDUXLHIWGYHKPH-UHFFFAOYSA-N 1 1 267.329 1.263 10 5 CDBEMO Cc1noc(C[N@@H+](C)[C@@H](CO)CC(C)C)c1[N+](=O)[O-] ZINC000595442497 343062269 /nfs/dbraw/zinc/06/22/69/343062269.db2.gz UCZUJDIWRLGRKM-SNVBAGLBSA-N 1 1 271.317 1.730 10 5 CDBEMO Cc1noc(C[N@H+](C)[C@@H](CO)CC(C)C)c1[N+](=O)[O-] ZINC000595442497 343062271 /nfs/dbraw/zinc/06/22/71/343062271.db2.gz UCZUJDIWRLGRKM-SNVBAGLBSA-N 1 1 271.317 1.730 10 5 CDBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595766867 343145738 /nfs/dbraw/zinc/14/57/38/343145738.db2.gz MCUJIDUPKFRKMX-SMDDNHRTSA-N 1 1 278.308 1.430 10 5 CDBEMO C[C@]12COC[C@@H]1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595756528 343142090 /nfs/dbraw/zinc/14/20/90/343142090.db2.gz GRFHMRMZQRAHDC-WFASDCNBSA-N 1 1 292.335 1.942 10 5 CDBEMO CO[C@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000597186482 343478911 /nfs/dbraw/zinc/47/89/11/343478911.db2.gz GFESQVKDZBMNTB-OAHLLOKOSA-N 1 1 294.351 1.877 10 5 CDBEMO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000609509402 345358583 /nfs/dbraw/zinc/35/85/83/345358583.db2.gz XFHJBKUYOXROKX-NSHDSACASA-N 1 1 292.339 1.242 10 5 CDBEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1c([N+](=O)[O-])ncn1C ZINC000609765566 345997890 /nfs/dbraw/zinc/99/78/90/345997890.db2.gz BQOFHRBHWNDAEW-MNOVXSKESA-N 1 1 279.344 1.391 10 5 CDBEMO COc1ccc([N+](=O)[O-])c(N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000610250032 346229186 /nfs/dbraw/zinc/22/91/86/346229186.db2.gz MLYNBCDYKLJHDO-NSHDSACASA-N 1 1 277.324 1.888 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000611180148 346630559 /nfs/dbraw/zinc/63/05/59/346630559.db2.gz SPMBRNGAHPQUAD-MRVPVSSYSA-N 1 1 260.244 1.378 10 5 CDBEMO CNc1c(C(=O)N[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000161448850 362996159 /nfs/dbraw/zinc/99/61/59/362996159.db2.gz BMIIXVLMHGQTIW-JTQLQIEISA-N 1 1 292.339 1.461 10 5 CDBEMO COCC[N@H+]1CCC[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000068910817 351133502 /nfs/dbraw/zinc/13/35/02/351133502.db2.gz ZLDHNQOIXCOIKQ-NSHDSACASA-N 1 1 280.328 1.513 10 5 CDBEMO CC[C@@H]1CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292411271 198278268 /nfs/dbraw/zinc/27/82/68/198278268.db2.gz MBKLXZNAXPULFX-NEPJUHHUSA-N 1 1 280.324 1.819 10 5 CDBEMO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000155804188 188227494 /nfs/dbraw/zinc/22/74/94/188227494.db2.gz YHMUBQNIGGGSOP-SNVBAGLBSA-N 1 1 265.313 1.967 10 5 CDBEMO COc1ccc(C[NH2+]C2(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000411910989 363376581 /nfs/dbraw/zinc/37/65/81/363376581.db2.gz JPSMGBSKYXZHLT-UHFFFAOYSA-N 1 1 293.323 1.314 10 5 CDBEMO CC[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000134478964 356323399 /nfs/dbraw/zinc/32/33/99/356323399.db2.gz OUIBNENQJPYWAW-LBPRGKRZSA-N 1 1 280.328 1.431 10 5 CDBEMO CC[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2C)C1 ZINC000134478964 356323405 /nfs/dbraw/zinc/32/34/05/356323405.db2.gz OUIBNENQJPYWAW-LBPRGKRZSA-N 1 1 280.328 1.431 10 5 CDBEMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000425279983 283206144 /nfs/dbraw/zinc/20/61/44/283206144.db2.gz GLQWPNWWOTVDJY-CMPLNLGQSA-N 1 1 262.313 1.520 10 5 CDBEMO CN(C)CC[N@@H+](C)CCCN(C)c1ccncc1[N+](=O)[O-] ZINC000341056199 366383162 /nfs/dbraw/zinc/38/31/62/366383162.db2.gz SZELUTNUJDIOLG-UHFFFAOYSA-N 1 1 295.387 1.310 10 5 CDBEMO CN(CCCN(C)c1ccncc1[N+](=O)[O-])CC[NH+](C)C ZINC000341056199 366383170 /nfs/dbraw/zinc/38/31/70/366383170.db2.gz SZELUTNUJDIOLG-UHFFFAOYSA-N 1 1 295.387 1.310 10 5 CDBEMO C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000584539061 358147776 /nfs/dbraw/zinc/14/77/76/358147776.db2.gz IGPFSSTVUPWBLI-GFCCVEGCSA-N 1 1 291.351 1.595 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](O)C1(C)C ZINC000361403085 358174593 /nfs/dbraw/zinc/17/45/93/358174593.db2.gz MDAURBOTRVIPPU-ZDUSSCGKSA-N 1 1 280.324 1.949 10 5 CDBEMO C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000192463882 358205271 /nfs/dbraw/zinc/20/52/71/358205271.db2.gz ZHNAWZRUCYSPRY-BDAKNGLRSA-N 1 1 270.358 1.970 10 5 CDBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338966269 359252624 /nfs/dbraw/zinc/25/26/24/359252624.db2.gz UHOIOEJHRGRPIG-VDKLAZJHSA-N 1 1 290.319 1.708 10 5 CDBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338966269 359252626 /nfs/dbraw/zinc/25/26/26/359252626.db2.gz UHOIOEJHRGRPIG-VDKLAZJHSA-N 1 1 290.319 1.708 10 5 CDBEMO Cn1cncc1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000571500502 359579063 /nfs/dbraw/zinc/57/90/63/359579063.db2.gz IORCULQDUZOWJJ-UHFFFAOYSA-N 1 1 286.335 1.929 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000172054927 359716951 /nfs/dbraw/zinc/71/69/51/359716951.db2.gz GAHSIFHCTGMPHB-MWLCHTKSSA-N 1 1 295.364 1.965 10 5 CDBEMO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347901843 359924173 /nfs/dbraw/zinc/92/41/73/359924173.db2.gz UWUSJRZNFPUTPN-JTQLQIEISA-N 1 1 278.312 1.232 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351820099 369264272 /nfs/dbraw/zinc/26/42/72/369264272.db2.gz NMWNFGHLOZOZSW-NRUUGDAUSA-N 1 1 250.298 1.968 10 5 CDBEMO CNC(=O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420967771 374308192 /nfs/dbraw/zinc/30/81/92/374308192.db2.gz ALJKHRLVONOBAZ-GHMZBOCLSA-N 1 1 277.324 1.724 10 5 CDBEMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000377727759 374617157 /nfs/dbraw/zinc/61/71/57/374617157.db2.gz VAASIEGSDHPPNG-KGYLQXTDSA-N 1 1 280.328 1.027 10 5 CDBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOC[C@H](O)C1 ZINC000449412374 374807851 /nfs/dbraw/zinc/80/78/51/374807851.db2.gz CDVZXINXPHLBHG-WASHYIJTSA-N 1 1 292.335 1.691 10 5 CDBEMO Cc1c(CN[C@@H](C)[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000400345652 375071369 /nfs/dbraw/zinc/07/13/69/375071369.db2.gz IUMRPEJAOPNHQV-AAEUAGOBSA-N 1 1 263.341 1.991 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCNC(=O)N(C)C ZINC000355078206 375773146 /nfs/dbraw/zinc/77/31/46/375773146.db2.gz ZXYDCSLXRJSBCD-LLVKDONJSA-N 1 1 294.355 1.859 10 5 CDBEMO C[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000358223108 375958125 /nfs/dbraw/zinc/95/81/25/375958125.db2.gz JNIBBGHVSIRZHN-ZJUUUORDSA-N 1 1 286.353 1.679 10 5 CDBEMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001620677300 1172603672 /nfs/dbraw/zinc/60/36/72/1172603672.db2.gz NIZUOSDZQXMCOM-OLZOCXBDSA-N 1 1 280.324 1.018 10 5 CDBEMO CC(=O)[C@@](C)(O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000450970190 390584016 /nfs/dbraw/zinc/58/40/16/390584016.db2.gz DCOYQIDUMXLDRF-AWEZNQCLSA-N 1 1 280.324 1.409 10 5 CDBEMO COc1ccc(CN[C@H]2C[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358014262 391941304 /nfs/dbraw/zinc/94/13/04/391941304.db2.gz BWBWSSRCCTXVJY-PWSUYJOCSA-N 1 1 279.340 1.643 10 5 CDBEMO COc1ccc(CN[C@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358014262 391941306 /nfs/dbraw/zinc/94/13/06/391941306.db2.gz BWBWSSRCCTXVJY-PWSUYJOCSA-N 1 1 279.340 1.643 10 5 CDBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421021261 392926416 /nfs/dbraw/zinc/92/64/16/392926416.db2.gz OIGOBGLSORDIPP-AWEZNQCLSA-N 1 1 278.308 1.838 10 5 CDBEMO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C)C1 ZINC000532138465 393067620 /nfs/dbraw/zinc/06/76/20/393067620.db2.gz MDTLZPQFQAXHSA-NSHDSACASA-N 1 1 278.312 1.156 10 5 CDBEMO Cc1nc(N2CCO[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000284519089 393191853 /nfs/dbraw/zinc/19/18/53/393191853.db2.gz JXIMOIXHZRDZGF-OLZOCXBDSA-N 1 1 292.339 1.208 10 5 CDBEMO C[C@@H]1C(=O)NCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000189309493 140112155 /nfs/dbraw/zinc/11/21/55/140112155.db2.gz ZPCONIXDWKOXHC-LLVKDONJSA-N 1 1 293.323 1.184 10 5 CDBEMO C[C@@H]1C(=O)NCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000189309493 140112156 /nfs/dbraw/zinc/11/21/56/140112156.db2.gz ZPCONIXDWKOXHC-LLVKDONJSA-N 1 1 293.323 1.184 10 5 CDBEMO O=[N+]([O-])c1ccc2oc(C[N@H+]3C[C@H](O)C4(CC4)C3)nc2c1 ZINC000375316405 160366164 /nfs/dbraw/zinc/36/61/64/160366164.db2.gz XUQINYNGRWLUBQ-LBPRGKRZSA-N 1 1 289.291 1.693 10 5 CDBEMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3C[C@H](O)C4(CC4)C3)nc2c1 ZINC000375316405 160366166 /nfs/dbraw/zinc/36/61/66/160366166.db2.gz XUQINYNGRWLUBQ-LBPRGKRZSA-N 1 1 289.291 1.693 10 5 CDBEMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001587655452 1172993315 /nfs/dbraw/zinc/99/33/15/1172993315.db2.gz HSTJUFFVTKINCI-UHFFFAOYSA-N 1 1 278.312 1.076 10 5 CDBEMO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000284495938 196068964 /nfs/dbraw/zinc/06/89/64/196068964.db2.gz GUEBKZRHVOIBBV-QWHCGFSZSA-N 1 1 280.324 1.485 10 5 CDBEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000071189322 176064905 /nfs/dbraw/zinc/06/49/05/176064905.db2.gz NSQCTXFVBTYLRI-SNVBAGLBSA-N 1 1 295.314 1.758 10 5 CDBEMO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000271596852 288061781 /nfs/dbraw/zinc/06/17/81/288061781.db2.gz HHBQVPQLDYQENM-WPRPVWTQSA-N 1 1 251.286 1.509 10 5 CDBEMO Cc1cccc(N2CC[N@@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000368725506 281229235 /nfs/dbraw/zinc/22/92/35/281229235.db2.gz VMJHKGCUNGXQDO-GFCCVEGCSA-N 1 1 277.324 1.424 10 5 CDBEMO Cc1cccc(N2CC[N@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000368725506 281229237 /nfs/dbraw/zinc/22/92/37/281229237.db2.gz VMJHKGCUNGXQDO-GFCCVEGCSA-N 1 1 277.324 1.424 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000278020507 281257679 /nfs/dbraw/zinc/25/76/79/281257679.db2.gz QCAOPQHQRISSFT-NSHDSACASA-N 1 1 277.324 1.727 10 5 CDBEMO Cc1ccnc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000285201882 302273942 /nfs/dbraw/zinc/27/39/42/302273942.db2.gz WPFUYHDDLIOONG-NEPJUHHUSA-N 1 1 292.339 1.208 10 5 CDBEMO CCCNc1ccc(C[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000050814518 520154355 /nfs/dbraw/zinc/15/43/55/520154355.db2.gz YFRMUGFBZHGFBH-UHFFFAOYSA-N 1 1 267.329 1.841 10 5 CDBEMO CCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050815797 521667054 /nfs/dbraw/zinc/66/70/54/521667054.db2.gz YSRYTJAIBBOVAX-UHFFFAOYSA-N 1 1 267.329 1.841 10 5 CDBEMO COCC[C@@H]([NH3+])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000052785433 521830928 /nfs/dbraw/zinc/83/09/28/521830928.db2.gz ARXZTBRPTSDVLP-SNVBAGLBSA-N 1 1 278.268 1.681 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000062595847 523599472 /nfs/dbraw/zinc/59/94/72/523599472.db2.gz KCZANRRHCXBHRI-QMMMGPOBSA-N 1 1 288.687 1.517 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000068651515 523819232 /nfs/dbraw/zinc/81/92/32/523819232.db2.gz GJAVDQIMRGBMKD-RNCFNFMXSA-N 1 1 282.296 1.643 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1CO ZINC000183252110 525562730 /nfs/dbraw/zinc/56/27/30/525562730.db2.gz MFKKJLLNTXTEQT-CYBMUJFWSA-N 1 1 250.298 1.860 10 5 CDBEMO Cc1c(CN2CC[N@@H+](CCO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000187690743 525704600 /nfs/dbraw/zinc/70/46/00/525704600.db2.gz MYLXCSKQXREXAW-GFCCVEGCSA-N 1 1 293.367 1.402 10 5 CDBEMO [NH3+]C[C@H]1CCCN(CCc2ccccc2[N+](=O)[O-])C1 ZINC000062727104 527232663 /nfs/dbraw/zinc/23/26/63/527232663.db2.gz VSVLWRMHGJVHMP-GFCCVEGCSA-N 1 1 263.341 1.808 10 5 CDBEMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000929885910 631764404 /nfs/dbraw/zinc/76/44/04/631764404.db2.gz 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CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000441218478 368530649 /nfs/dbraw/zinc/53/06/49/368530649.db2.gz SAEAWMICTAMKCE-STQMWFEESA-N 1 1 294.355 1.540 10 5 CDBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H](O)C1 ZINC000295547443 370474459 /nfs/dbraw/zinc/47/44/59/370474459.db2.gz JZJINIGYWFBEIV-QWRGUYRKSA-N 1 1 266.297 1.349 10 5 CDBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@H](O)C1 ZINC000295547443 370474464 /nfs/dbraw/zinc/47/44/64/370474464.db2.gz JZJINIGYWFBEIV-QWRGUYRKSA-N 1 1 266.297 1.349 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356744520 373045923 /nfs/dbraw/zinc/04/59/23/373045923.db2.gz OVFIAHIIQKJTRC-JTQLQIEISA-N 1 1 294.355 1.757 10 5 CDBEMO Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419002017 374271703 /nfs/dbraw/zinc/27/17/03/374271703.db2.gz LXHMMFOKXOZXGK-OLZOCXBDSA-N 1 1 293.367 1.795 10 5 CDBEMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC000418989150 374272540 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10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357545577 375916487 /nfs/dbraw/zinc/91/64/87/375916487.db2.gz IAHXAIUKYQXESU-SECBINFHSA-N 1 1 290.327 1.812 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357545577 375916492 /nfs/dbraw/zinc/91/64/92/375916492.db2.gz IAHXAIUKYQXESU-SECBINFHSA-N 1 1 290.327 1.812 10 5 CDBEMO O=C1C[C@]2(CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CN1 ZINC000434737166 248135333 /nfs/dbraw/zinc/13/53/33/248135333.db2.gz OCQVQODLRIVRHO-CQSZACIVSA-N 1 1 293.298 1.446 10 5 CDBEMO O=C1C[C@]2(CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)CN1 ZINC000434737166 248135336 /nfs/dbraw/zinc/13/53/36/248135336.db2.gz OCQVQODLRIVRHO-CQSZACIVSA-N 1 1 293.298 1.446 10 5 CDBEMO O=[N+]([O-])c1cc(CN2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000171643649 376890046 /nfs/dbraw/zinc/89/00/46/376890046.db2.gz LIYQAZWQGNABFE-LLVKDONJSA-N 1 1 267.354 1.936 10 5 CDBEMO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046479199 378518592 /nfs/dbraw/zinc/51/85/92/378518592.db2.gz ZQMYTPVJLCOEIW-GARJFASQSA-N 1 1 297.359 1.238 10 5 CDBEMO C[C@@H](CNc1c([N+](=O)[O-])ncn1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046479199 378518597 /nfs/dbraw/zinc/51/85/97/378518597.db2.gz ZQMYTPVJLCOEIW-GARJFASQSA-N 1 1 297.359 1.238 10 5 CDBEMO COc1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000246146038 379449041 /nfs/dbraw/zinc/44/90/41/379449041.db2.gz FMTYABZXZSLMHG-LBPRGKRZSA-N 1 1 277.324 1.888 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC(C)(C)C ZINC001663180968 1172651121 /nfs/dbraw/zinc/65/11/21/1172651121.db2.gz UXMZMVZEKUVGEA-GHMZBOCLSA-N 1 1 271.361 1.136 10 5 CDBEMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC(C)(C)C ZINC001663180968 1172651124 /nfs/dbraw/zinc/65/11/24/1172651124.db2.gz UXMZMVZEKUVGEA-GHMZBOCLSA-N 1 1 271.361 1.136 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC(C)(C)C ZINC001663180968 1172651129 /nfs/dbraw/zinc/65/11/29/1172651129.db2.gz UXMZMVZEKUVGEA-GHMZBOCLSA-N 1 1 271.361 1.136 10 5 CDBEMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000451960253 390964744 /nfs/dbraw/zinc/96/47/44/390964744.db2.gz ZURZCNPVDKUOFG-OUCADQQQSA-N 1 1 296.371 1.663 10 5 CDBEMO C[N@H+]1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000408463174 391642851 /nfs/dbraw/zinc/64/28/51/391642851.db2.gz BIZBSDHHXKAUEQ-SKDRFNHKSA-N 1 1 280.303 1.659 10 5 CDBEMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532143205 393067419 /nfs/dbraw/zinc/06/74/19/393067419.db2.gz VMTUTKDVGZSEBP-LLVKDONJSA-N 1 1 292.339 1.404 10 5 CDBEMO C[N@@H+](CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000281965993 393165840 /nfs/dbraw/zinc/16/58/40/393165840.db2.gz VLCXAYUVYCIPMU-UHFFFAOYSA-N 1 1 299.302 1.377 10 5 CDBEMO Cc1cc(N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000284556295 393193959 /nfs/dbraw/zinc/19/39/59/393193959.db2.gz MZLPARJQPAGQSZ-HUUCEWRRSA-N 1 1 291.351 1.813 10 5 CDBEMO C[C@H]1C[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)CCN1C ZINC000176262017 148033271 /nfs/dbraw/zinc/03/32/71/148033271.db2.gz PKOFQPGZVLNPTJ-RYUDHWBXSA-N 1 1 281.360 1.206 10 5 CDBEMO C[C@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000176262017 148033274 /nfs/dbraw/zinc/03/32/74/148033274.db2.gz PKOFQPGZVLNPTJ-RYUDHWBXSA-N 1 1 281.360 1.206 10 5 CDBEMO COc1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000375322370 160367414 /nfs/dbraw/zinc/36/74/14/160367414.db2.gz YDDXZSOVIVOCTE-ZDUSSCGKSA-N 1 1 278.308 1.560 10 5 CDBEMO COc1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1[N+](=O)[O-] ZINC000375322370 160367418 /nfs/dbraw/zinc/36/74/18/160367418.db2.gz YDDXZSOVIVOCTE-ZDUSSCGKSA-N 1 1 278.308 1.560 10 5 CDBEMO CN(C(=O)[C@H]1CSC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000020373719 171169419 /nfs/dbraw/zinc/16/94/19/171169419.db2.gz CJALQEDWTVPLOJ-SNVBAGLBSA-N 1 1 267.310 1.220 10 5 CDBEMO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc([N+](=O)[O-])cc1N ZINC000071188566 176063195 /nfs/dbraw/zinc/06/31/95/176063195.db2.gz SJEPATMQANSUFR-JTQLQIEISA-N 1 1 264.329 1.565 10 5 CDBEMO C[C@@H]1CC[C@@H](O)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000399164656 270369745 /nfs/dbraw/zinc/36/97/45/270369745.db2.gz CSZVKMZSQDDSIO-BXUZGUMPSA-N 1 1 264.325 1.983 10 5 CDBEMO CC[N@H+]1CC[C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000277895422 276221444 /nfs/dbraw/zinc/22/14/44/276221444.db2.gz CKSUJKOJQFBZIL-GFCCVEGCSA-N 1 1 291.351 1.975 10 5 CDBEMO C[N@H+]1CC[C@H]2OCCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284577934 290237249 /nfs/dbraw/zinc/23/72/49/290237249.db2.gz OYAWUIZTWXFING-ZIAGYGMSSA-N 1 1 277.324 1.504 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000418105645 533954511 /nfs/dbraw/zinc/95/45/11/533954511.db2.gz BHGXWWGTSDSMFS-STQMWFEESA-N 1 1 293.367 1.482 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000062595611 521257865 /nfs/dbraw/zinc/25/78/65/521257865.db2.gz QPQGZNXPWCFCLX-LLVKDONJSA-N 1 1 296.323 1.871 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@H](C)Oc1cccc(C)c1[N+](=O)[O-] ZINC000068651371 523819338 /nfs/dbraw/zinc/81/93/38/523819338.db2.gz FESODJHBOQTHPZ-HZMBPMFUSA-N 1 1 296.323 1.951 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000068651510 523819517 /nfs/dbraw/zinc/81/95/17/523819517.db2.gz GJAVDQIMRGBMKD-ZANVPECISA-N 1 1 282.296 1.643 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1ccc(C)cc1[N+](=O)[O-] ZINC000062541876 523913409 /nfs/dbraw/zinc/91/34/09/523913409.db2.gz DQZFKGBFTVLDGU-SECBINFHSA-N 1 1 268.269 1.172 10 5 CDBEMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000299909170 524036284 /nfs/dbraw/zinc/03/62/84/524036284.db2.gz WKHJOTYGRCWUQO-ZWNOBZJWSA-N 1 1 280.324 1.806 10 5 CDBEMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183390749 524093747 /nfs/dbraw/zinc/09/37/47/524093747.db2.gz QGWJLMSIMXIEDR-LLVKDONJSA-N 1 1 279.340 1.717 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000931607621 618075075 /nfs/dbraw/zinc/07/50/75/618075075.db2.gz LHMNDAROPRIMPG-KCJUWKMLSA-N 1 1 296.302 1.948 10 5 CDBEMO CON1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1=O ZINC000905764155 626969051 /nfs/dbraw/zinc/96/90/51/626969051.db2.gz VLVGBPHWKCTGCR-KOLCDFICSA-N 1 1 279.296 1.408 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000794947805 1164821546 /nfs/dbraw/zinc/82/15/46/1164821546.db2.gz CISNJWJLEXKREJ-AEGPPILISA-N 1 1 291.351 1.264 10 5 CDBEMO CC[N@@H+]1CC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001624841928 1165870267 /nfs/dbraw/zinc/87/02/67/1165870267.db2.gz LHMLTRAXMTWNMY-LBPRGKRZSA-N 1 1 263.297 1.305 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001624841928 1165870273 /nfs/dbraw/zinc/87/02/73/1165870273.db2.gz LHMLTRAXMTWNMY-LBPRGKRZSA-N 1 1 263.297 1.305 10 5 CDBEMO Nc1ccc(NC(=O)CC[N@H+]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC001629193402 1166121938 /nfs/dbraw/zinc/12/19/38/1166121938.db2.gz FJYXBJAKPMHGMD-SECBINFHSA-N 1 1 296.302 1.549 10 5 CDBEMO Cc1c(C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)cccc1[N+](=O)[O-] ZINC001648159049 1169102002 /nfs/dbraw/zinc/10/20/02/1169102002.db2.gz VLBVPLUFBFJPLR-LLVKDONJSA-N 1 1 288.311 1.406 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001648158193 1169102325 /nfs/dbraw/zinc/10/23/25/1169102325.db2.gz KLYWOZXIVUZMIM-NSHDSACASA-N 1 1 288.311 1.140 10 5 CDBEMO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001648634439 1169145077 /nfs/dbraw/zinc/14/50/77/1169145077.db2.gz FWWOLTUROBPTOP-WCQYABFASA-N 1 1 280.324 1.018 10 5 CDBEMO Cn1cc(C[N@@H+]2CC[C@H](c3ncccn3)C2)c([N+](=O)[O-])n1 ZINC001655716943 1171717293 /nfs/dbraw/zinc/71/72/93/1171717293.db2.gz STGREHZHCMFQJP-JTQLQIEISA-N 1 1 288.311 1.108 10 5 CDBEMO Cn1cc(C[N@H+]2CC[C@H](c3ncccn3)C2)c([N+](=O)[O-])n1 ZINC001655716943 1171717296 /nfs/dbraw/zinc/71/72/96/1171717296.db2.gz STGREHZHCMFQJP-JTQLQIEISA-N 1 1 288.311 1.108 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001586616285 1172952253 /nfs/dbraw/zinc/95/22/53/1172952253.db2.gz GOIGTQXROCOXRT-UWVGGRQHSA-N 1 1 295.343 1.120 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC001608184948 1164440865 /nfs/dbraw/zinc/44/08/65/1164440865.db2.gz XKLUASZUUJOCGK-JTQLQIEISA-N 1 1 280.328 1.100 10 5 CDBEMO C[C@H](O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001617860021 1165610405 /nfs/dbraw/zinc/61/04/05/1165610405.db2.gz KQBUAHQHMIVBCU-QWRGUYRKSA-N 1 1 252.314 1.838 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](O)CC23CCC3)n1 ZINC001618676371 1165640752 /nfs/dbraw/zinc/64/07/52/1165640752.db2.gz CBPYYZFPUOOCRC-LLVKDONJSA-N 1 1 280.328 1.171 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000842046908 811889689 /nfs/dbraw/zinc/88/96/89/811889689.db2.gz IDXUTSXLPAFUBY-GHMZBOCLSA-N 1 1 297.330 1.625 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCc3ncnn31)C2 ZINC000878303304 805083494 /nfs/dbraw/zinc/08/34/94/805083494.db2.gz MYFBFIYQVUCJFZ-GFCCVEGCSA-N 1 1 299.334 1.732 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCc3ncnn31)C2 ZINC000878303304 805083504 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COCC[C@H]([NH3+])c1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000052785511 521951130 /nfs/dbraw/zinc/95/11/30/521951130.db2.gz YSPXZKGMNLLPFA-NSHDSACASA-N 1 1 292.295 1.990 10 5 CDBEMO COc1cc(C[N@@H+](C)C2(CO)CC2)ccc1[N+](=O)[O-] ZINC000353147769 522346184 /nfs/dbraw/zinc/34/61/84/522346184.db2.gz OGBPYDSTEWBBII-UHFFFAOYSA-N 1 1 266.297 1.560 10 5 CDBEMO CNc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000050817189 522608569 /nfs/dbraw/zinc/60/85/69/522608569.db2.gz FHZCGCJUDKRNER-LLVKDONJSA-N 1 1 265.313 1.593 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1C[NH+](CCOC)CCOC ZINC000050817412 522645715 /nfs/dbraw/zinc/64/57/15/522645715.db2.gz MNYCDHTXRBCSQA-UHFFFAOYSA-N 1 1 297.355 1.731 10 5 CDBEMO COC(=O)[C@@H](C)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000062727269 523502135 /nfs/dbraw/zinc/50/21/35/523502135.db2.gz FNEVUIBMAFFHFG-NSHDSACASA-N 1 1 280.324 1.878 10 5 CDBEMO CCn1cc[nH+]c1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000155890101 523546736 /nfs/dbraw/zinc/54/67/36/523546736.db2.gz RJKPFOZQUPWHMS-UHFFFAOYSA-N 1 1 262.269 1.330 10 5 CDBEMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052841301 523839530 /nfs/dbraw/zinc/83/95/30/523839530.db2.gz FBNCKFOTAWFXKI-SNVBAGLBSA-N 1 1 264.329 1.931 10 5 CDBEMO C[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840753 523845620 /nfs/dbraw/zinc/84/56/20/523845620.db2.gz GLQUDSLZEDZTNI-VIFPVBQESA-N 1 1 250.302 1.683 10 5 CDBEMO C[N@H+]1CC[C@@H](CNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455169 523962355 /nfs/dbraw/zinc/96/23/55/523962355.db2.gz BGNRYFCTOVNBKQ-ZETCQYMHSA-N 1 1 271.708 1.402 10 5 CDBEMO CC(C)(CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[N+](=O)[O-] ZINC001626363115 1165933889 /nfs/dbraw/zinc/93/38/89/1165933889.db2.gz IFPKPIKKMBEJMB-NSHDSACASA-N 1 1 283.372 1.422 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001643157986 1167231395 /nfs/dbraw/zinc/23/13/95/1167231395.db2.gz JKQSTLMKDCOZRG-VHDGCEQUSA-N 1 1 291.351 1.264 10 5 CDBEMO CN1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001643157986 1167231404 /nfs/dbraw/zinc/23/14/04/1167231404.db2.gz JKQSTLMKDCOZRG-VHDGCEQUSA-N 1 1 291.351 1.264 10 5 CDBEMO CN1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001643157986 1167231409 /nfs/dbraw/zinc/23/14/09/1167231409.db2.gz JKQSTLMKDCOZRG-VHDGCEQUSA-N 1 1 291.351 1.264 10 5 CDBEMO Cc1noc(CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c1[N+](=O)[O-] ZINC001656384227 1171816633 /nfs/dbraw/zinc/81/66/33/1171816633.db2.gz KVOZZUYOEPWCNM-UWVGGRQHSA-N 1 1 284.291 1.119 10 5 CDBEMO Cc1noc(CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c1[N+](=O)[O-] ZINC001656384227 1171816638 /nfs/dbraw/zinc/81/66/38/1171816638.db2.gz KVOZZUYOEPWCNM-UWVGGRQHSA-N 1 1 284.291 1.119 10 5 CDBEMO CC[N@H+]1CCC[C@@H]1CNc1nn(C)cc1[N+](=O)[O-] ZINC000231667039 1178173422 /nfs/dbraw/zinc/17/34/22/1178173422.db2.gz WWDRCGLSXDFHQM-SECBINFHSA-N 1 1 253.306 1.225 10 5 CDBEMO C[C@@H]1C[C@H](Nc2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000231669971 1178174699 /nfs/dbraw/zinc/17/46/99/1178174699.db2.gz KSVBWJIRWWUAMV-RKDXNWHRSA-N 1 1 253.306 1.223 10 5 CDBEMO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001714704636 1179346927 /nfs/dbraw/zinc/34/69/27/1179346927.db2.gz UWOPFSGVQGGQOH-ZIAGYGMSSA-N 1 1 291.351 1.208 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000300070009 1186359089 /nfs/dbraw/zinc/35/90/89/1186359089.db2.gz UJTZJCBGKQJDOB-NXEZZACHSA-N 1 1 265.317 1.367 10 5 CDBEMO Cc1cccc(OC[C@@H](O)C[N@H+](CC[N+](=O)[O-])C(C)C)c1 ZINC001615643277 1165555713 /nfs/dbraw/zinc/55/57/13/1165555713.db2.gz BNFZNWCIKWYHLW-AWEZNQCLSA-N 1 1 296.367 1.722 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001137103447 1165821941 /nfs/dbraw/zinc/82/19/41/1165821941.db2.gz VMPGQQXEOUQHMO-WDEREUQCSA-N 1 1 292.339 1.511 10 5 CDBEMO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796575447 828444491 /nfs/dbraw/zinc/44/44/91/828444491.db2.gz PBGJXCVLMQVXLN-GXFFZTMASA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796575447 828444503 /nfs/dbraw/zinc/44/45/03/828444503.db2.gz PBGJXCVLMQVXLN-GXFFZTMASA-N 1 1 298.314 1.706 10 5 CDBEMO COC(=O)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000094997043 828514591 /nfs/dbraw/zinc/51/45/91/828514591.db2.gz SDHUTOIPUUVMMX-RISCZKNCSA-N 1 1 292.335 1.878 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719381435 824091643 /nfs/dbraw/zinc/09/16/43/824091643.db2.gz OXXKNSZWSZKBJO-KWQFWETISA-N 1 1 281.287 1.556 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000794955255 824442867 /nfs/dbraw/zinc/44/28/67/824442867.db2.gz RKVZMMYOFKTSRA-YGRLFVJLSA-N 1 1 279.315 1.870 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000719383102 825860308 /nfs/dbraw/zinc/86/03/08/825860308.db2.gz ZCZPOABHERMJHQ-PRHODGIISA-N 1 1 281.287 1.556 10 5 CDBEMO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000284633046 826011713 /nfs/dbraw/zinc/01/17/13/826011713.db2.gz OBCPUJDULFIKSI-NWDGAFQWSA-N 1 1 284.287 1.316 10 5 CDBEMO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000284633046 826011722 /nfs/dbraw/zinc/01/17/22/826011722.db2.gz OBCPUJDULFIKSI-NWDGAFQWSA-N 1 1 284.287 1.316 10 5 CDBEMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000714251350 826095833 /nfs/dbraw/zinc/09/58/33/826095833.db2.gz AGYFRFARUZRHAY-KYZUINATSA-N 1 1 290.366 1.322 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000840112723 826131909 /nfs/dbraw/zinc/13/19/09/826131909.db2.gz AUXWPUVEHCYUTO-MGPQQGTHSA-N 1 1 294.355 1.764 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000840112723 826131930 /nfs/dbraw/zinc/13/19/30/826131930.db2.gz AUXWPUVEHCYUTO-MGPQQGTHSA-N 1 1 294.355 1.764 10 5 CDBEMO COc1cccc([C@@H](O)C2CC[NH+](CC[N+](=O)[O-])CC2)c1 ZINC000931336334 826250856 /nfs/dbraw/zinc/25/08/56/826250856.db2.gz SGSSHGUCVQKVKQ-HNNXBMFYSA-N 1 1 294.351 1.717 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725125 826253442 /nfs/dbraw/zinc/25/34/42/826253442.db2.gz QZLRAGSAVNVXLG-TZMCWYRMSA-N 1 1 277.324 1.627 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000719383110 826829307 /nfs/dbraw/zinc/82/93/07/826829307.db2.gz ZCZPOABHERMJHQ-UFBFGSQYSA-N 1 1 281.287 1.556 10 5 CDBEMO O=[N+]([O-])c1cc(CO)c(N2CC[NH+](C3CC3)CC2)cc1F ZINC000865475000 827681648 /nfs/dbraw/zinc/68/16/48/827681648.db2.gz QIKNYSSXWBZECP-UHFFFAOYSA-N 1 1 295.314 1.511 10 5 CDBEMO CN(CC[N@@H+](C)CCC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482595803 907723476 /nfs/dbraw/zinc/72/34/76/907723476.db2.gz VLZNYLCZKUYECH-VXGBXAGGSA-N 1 1 285.388 1.478 10 5 CDBEMO CN(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482595803 907723486 /nfs/dbraw/zinc/72/34/86/907723486.db2.gz VLZNYLCZKUYECH-VXGBXAGGSA-N 1 1 285.388 1.478 10 5 CDBEMO CN(CC[N@@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001482595803 907723497 /nfs/dbraw/zinc/72/34/97/907723497.db2.gz VLZNYLCZKUYECH-VXGBXAGGSA-N 1 1 285.388 1.478 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1-c1nnc(C[NH+](C)C)o1 ZINC001326291668 954302037 /nfs/dbraw/zinc/30/20/37/954302037.db2.gz CSIRVPBCPWNQMH-UHFFFAOYSA-N 1 1 263.257 1.410 10 5 CDBEMO CCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@@H]1CC[N@@H+](C)C1 ZINC001557467929 965177216 /nfs/dbraw/zinc/17/72/16/965177216.db2.gz LZALTILZIIHAJD-LLVKDONJSA-N 1 1 292.339 1.464 10 5 CDBEMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001558336658 965270401 /nfs/dbraw/zinc/27/04/01/965270401.db2.gz JWTKTNLCOJKMTG-MRVPVSSYSA-N 1 1 267.289 1.129 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590012759 342519950 /nfs/dbraw/zinc/51/99/50/342519950.db2.gz XWDQPCBTYLAJNF-HIFRSBDPSA-N 1 1 275.352 1.773 10 5 CDBEMO CN1C[C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590012759 342519951 /nfs/dbraw/zinc/51/99/51/342519951.db2.gz XWDQPCBTYLAJNF-HIFRSBDPSA-N 1 1 275.352 1.773 10 5 CDBEMO CN1C[C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590012759 342519952 /nfs/dbraw/zinc/51/99/52/342519952.db2.gz XWDQPCBTYLAJNF-HIFRSBDPSA-N 1 1 275.352 1.773 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@@H]2C1 ZINC000590043739 342520432 /nfs/dbraw/zinc/52/04/32/342520432.db2.gz FESCCZNAUUVPIN-DTWKUNHWSA-N 1 1 281.337 1.432 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590045260 342520652 /nfs/dbraw/zinc/52/06/52/342520652.db2.gz OIRXTEVWWJJQIB-SCZZXKLOSA-N 1 1 281.337 1.432 10 5 CDBEMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000590426069 342545187 /nfs/dbraw/zinc/54/51/87/342545187.db2.gz HSKMCSFSDXWMLO-LLVKDONJSA-N 1 1 277.324 1.553 10 5 CDBEMO CNc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000048482232 342091534 /nfs/dbraw/zinc/09/15/34/342091534.db2.gz MNHGSFRZSOYQNW-LLVKDONJSA-N 1 1 292.339 1.461 10 5 CDBEMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000595779731 343149750 /nfs/dbraw/zinc/14/97/50/343149750.db2.gz HBLBWQYLXIMCIP-MNOVXSKESA-N 1 1 268.317 1.291 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597856869 343647365 /nfs/dbraw/zinc/64/73/65/343647365.db2.gz BXFCUKUMMCNFMQ-SECBINFHSA-N 1 1 281.312 1.790 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)s1 ZINC000604472692 344894007 /nfs/dbraw/zinc/89/40/07/344894007.db2.gz VBFRBXDWXFFCMG-UHFFFAOYSA-N 1 1 253.327 1.941 10 5 CDBEMO CC[N@H+]1CCN(c2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000611084674 346604263 /nfs/dbraw/zinc/60/42/63/346604263.db2.gz IYJKHIDWNUVXFI-SNVBAGLBSA-N 1 1 250.302 1.520 10 5 CDBEMO O=[N+]([O-])c1ccc2nc(C[N@@H+]3CC[C@@H](O)C3)ccc2c1 ZINC000090614489 180013846 /nfs/dbraw/zinc/01/38/46/180013846.db2.gz IHKZRAKSZJHBKZ-CYBMUJFWSA-N 1 1 273.292 1.710 10 5 CDBEMO Cc1sc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000110652461 186311280 /nfs/dbraw/zinc/31/12/80/186311280.db2.gz AYTBMHSFCNVUAW-SECBINFHSA-N 1 1 283.353 1.646 10 5 CDBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000155411346 188204623 /nfs/dbraw/zinc/20/46/23/188204623.db2.gz HCWIXCWYZSIZTI-TXEJJXNPSA-N 1 1 291.351 1.688 10 5 CDBEMO CC[C@H]1CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000292568321 198335957 /nfs/dbraw/zinc/33/59/57/198335957.db2.gz ZTKYLGAOWWCTGH-WCQYABFASA-N 1 1 280.324 1.819 10 5 CDBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408246202 358481201 /nfs/dbraw/zinc/48/12/01/358481201.db2.gz KNGXRWOALDTRNB-QWRGUYRKSA-N 1 1 292.339 1.622 10 5 CDBEMO COc1cc(C[NH2+]C2(C(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000411914930 363374863 /nfs/dbraw/zinc/37/48/63/363374863.db2.gz RJHWEHPNEIQNLX-UHFFFAOYSA-N 1 1 293.323 1.314 10 5 CDBEMO C[C@H]1C[C@H](O)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000401688936 356427002 /nfs/dbraw/zinc/42/70/02/356427002.db2.gz DPQUOFJANPNXCJ-FZMZJTMJSA-N 1 1 264.325 1.840 10 5 CDBEMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000408071473 357809981 /nfs/dbraw/zinc/80/99/81/357809981.db2.gz BTPVIUJBCQGFFS-YPMHNXCESA-N 1 1 291.351 1.969 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000408071473 357809983 /nfs/dbraw/zinc/80/99/83/357809983.db2.gz BTPVIUJBCQGFFS-YPMHNXCESA-N 1 1 291.351 1.969 10 5 CDBEMO C[C@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000361062457 357790771 /nfs/dbraw/zinc/79/07/71/357790771.db2.gz LYSHJOBGRQBLEZ-UWVGGRQHSA-N 1 1 262.313 1.449 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@H+](CC)CCO1 ZINC000166108628 359072478 /nfs/dbraw/zinc/07/24/78/359072478.db2.gz VCFPSXCNAIFWRR-LLVKDONJSA-N 1 1 297.359 1.252 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](CC)CCO1 ZINC000166108628 359072482 /nfs/dbraw/zinc/07/24/82/359072482.db2.gz VCFPSXCNAIFWRR-LLVKDONJSA-N 1 1 297.359 1.252 10 5 CDBEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000340155363 359579805 /nfs/dbraw/zinc/57/98/05/359579805.db2.gz RZMXODNEOLAIBE-NEPJUHHUSA-N 1 1 278.356 1.944 10 5 CDBEMO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000224009865 370840485 /nfs/dbraw/zinc/84/04/85/370840485.db2.gz LVGDRAKTDHSYQE-JTQLQIEISA-N 1 1 265.313 1.724 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000348549041 367492506 /nfs/dbraw/zinc/49/25/06/367492506.db2.gz RFEAVQBEHROJTP-CYBMUJFWSA-N 1 1 277.324 1.566 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000348549041 367492509 /nfs/dbraw/zinc/49/25/09/367492509.db2.gz RFEAVQBEHROJTP-CYBMUJFWSA-N 1 1 277.324 1.566 10 5 CDBEMO C[C@@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000090795000 368132579 /nfs/dbraw/zinc/13/25/79/368132579.db2.gz QVUNENJEOUXDRW-ZJUUUORDSA-N 1 1 250.302 1.884 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C1 ZINC000330895393 203362274 /nfs/dbraw/zinc/36/22/74/203362274.db2.gz GDXZEYYJOGGTMT-GXFFZTMASA-N 1 1 294.355 1.725 10 5 CDBEMO C[C@@]1(F)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295362079 370047876 /nfs/dbraw/zinc/04/78/76/370047876.db2.gz JIKCOQYJKJTILE-LLVKDONJSA-N 1 1 256.281 1.615 10 5 CDBEMO C[C@@]1(F)CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000295362079 370047881 /nfs/dbraw/zinc/04/78/81/370047881.db2.gz JIKCOQYJKJTILE-LLVKDONJSA-N 1 1 256.281 1.615 10 5 CDBEMO COc1cc(C[N@@H+]2CC[C@H](NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000420958595 374306676 /nfs/dbraw/zinc/30/66/76/374306676.db2.gz PKYWXVRFFAEVPQ-LBPRGKRZSA-N 1 1 293.323 1.314 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@H](NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000420958595 374306683 /nfs/dbraw/zinc/30/66/83/374306683.db2.gz PKYWXVRFFAEVPQ-LBPRGKRZSA-N 1 1 293.323 1.314 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000425541066 374444360 /nfs/dbraw/zinc/44/43/60/374444360.db2.gz FPCIASHFLZGVHM-GFCCVEGCSA-N 1 1 287.323 1.745 10 5 CDBEMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531888777 374515751 /nfs/dbraw/zinc/51/57/51/374515751.db2.gz VIWUSMFGWZTBFW-NSHDSACASA-N 1 1 292.339 1.450 10 5 CDBEMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449469765 374813016 /nfs/dbraw/zinc/81/30/16/374813016.db2.gz NBKWGJPVJUNAJX-LBPRGKRZSA-N 1 1 272.251 1.797 10 5 CDBEMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449469765 374813020 /nfs/dbraw/zinc/81/30/20/374813020.db2.gz NBKWGJPVJUNAJX-LBPRGKRZSA-N 1 1 272.251 1.797 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227568911 375564064 /nfs/dbraw/zinc/56/40/64/375564064.db2.gz CJKYXWCEFDLFNS-LBPRGKRZSA-N 1 1 250.298 1.799 10 5 CDBEMO COc1cc(C[N@@H+](C)CC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000353484046 375616068 /nfs/dbraw/zinc/61/60/68/375616068.db2.gz POVZRHBEUDUJFV-UHFFFAOYSA-N 1 1 280.324 1.950 10 5 CDBEMO C[C@@H]1C[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000547769354 377835867 /nfs/dbraw/zinc/83/58/67/377835867.db2.gz IUZYRPHIFRBQEC-TUAOUCFPSA-N 1 1 280.324 1.817 10 5 CDBEMO CC(C)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000446724885 250310699 /nfs/dbraw/zinc/31/06/99/250310699.db2.gz CLPPXROBVJWCHY-DGCLKSJQSA-N 1 1 282.344 1.130 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000048753426 391376205 /nfs/dbraw/zinc/37/62/05/391376205.db2.gz HXDUVBLUBRFBGE-LLVKDONJSA-N 1 1 277.324 1.809 10 5 CDBEMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590523118 391907743 /nfs/dbraw/zinc/90/77/43/391907743.db2.gz USZCASMWLDOVJM-JTQLQIEISA-N 1 1 278.312 1.156 10 5 CDBEMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590523118 391907746 /nfs/dbraw/zinc/90/77/46/391907746.db2.gz USZCASMWLDOVJM-JTQLQIEISA-N 1 1 278.312 1.156 10 5 CDBEMO Nc1c(F)c(N2CC[N@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000274685047 393111160 /nfs/dbraw/zinc/11/11/60/393111160.db2.gz OTNWQZMCYRZHHJ-SNVBAGLBSA-N 1 1 294.330 1.991 10 5 CDBEMO Cc1cccc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284422177 393191109 /nfs/dbraw/zinc/19/11/09/393191109.db2.gz CLWCRPMBPVVDHR-KBPBESRZSA-N 1 1 291.351 1.813 10 5 CDBEMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000195315016 140152559 /nfs/dbraw/zinc/15/25/59/140152559.db2.gz AUTUDBYBFTUBEN-ZDUSSCGKSA-N 1 1 289.335 1.823 10 5 CDBEMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000355780839 157231083 /nfs/dbraw/zinc/23/10/83/157231083.db2.gz ISDIHZFKFIOFBG-CZXHOFHRSA-N 1 1 296.371 1.519 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)n1 ZINC000359087130 158122780 /nfs/dbraw/zinc/12/27/80/158122780.db2.gz WJDVEYVAYCSPAV-UHFFFAOYSA-N 1 1 294.355 1.741 10 5 CDBEMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000408112756 280207184 /nfs/dbraw/zinc/20/71/84/280207184.db2.gz NKMIIXGZZBDNKY-SNVBAGLBSA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000408112756 280207185 /nfs/dbraw/zinc/20/71/85/280207185.db2.gz NKMIIXGZZBDNKY-SNVBAGLBSA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CCCO)CC1 ZINC000125525871 281259987 /nfs/dbraw/zinc/25/99/87/281259987.db2.gz SJZYAVLSRBUTEB-UHFFFAOYSA-N 1 1 279.340 1.408 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000062595613 521071270 /nfs/dbraw/zinc/07/12/70/521071270.db2.gz QPQGZNXPWCFCLX-NSHDSACASA-N 1 1 296.323 1.871 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCOc1cccc([N+](=O)[O-])c1C ZINC000062540524 523600518 /nfs/dbraw/zinc/60/05/18/523600518.db2.gz AOLVICGVWVAIHK-VIFPVBQESA-N 1 1 268.269 1.172 10 5 CDBEMO CNC(=O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443361 524074695 /nfs/dbraw/zinc/07/46/95/524074695.db2.gz PVEPINIFGMNXHN-UHFFFAOYSA-N 1 1 257.677 1.084 10 5 CDBEMO C[C@@H]1C[N@@H+](CCCNc2ccncc2[N+](=O)[O-])CCCO1 ZINC000340900436 524943842 /nfs/dbraw/zinc/94/38/42/524943842.db2.gz IQTAXASSYXCLQX-GFCCVEGCSA-N 1 1 294.355 1.325 10 5 CDBEMO Nc1ccc(C[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000050791848 527482386 /nfs/dbraw/zinc/48/23/86/527482386.db2.gz DSTCDDHMDRJKBH-UHFFFAOYSA-N 1 1 253.327 1.726 10 5 CDBEMO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(F)F ZINC000895725131 619815709 /nfs/dbraw/zinc/81/57/09/619815709.db2.gz MAPOKLZWDBPCTG-JECWYVHBSA-N 1 1 260.244 1.738 10 5 CDBEMO CCc1[nH+]ccn1CCNc1ncc([N+](=O)[O-])cc1F ZINC001643183518 1167232893 /nfs/dbraw/zinc/23/28/93/1167232893.db2.gz ZWEJCMUICCYWLB-UHFFFAOYSA-N 1 1 279.275 2.000 10 5 CDBEMO Cc1ccc(NCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[nH+]c1 ZINC001646256367 1167726518 /nfs/dbraw/zinc/72/65/18/1167726518.db2.gz UBIUZHVYIOFDIS-UHFFFAOYSA-N 1 1 289.295 1.468 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3=NOCC3)C2)nc1 ZINC001652761354 1171474174 /nfs/dbraw/zinc/47/41/74/1171474174.db2.gz XDKYTTHHHWVFJQ-SNVBAGLBSA-N 1 1 291.311 1.252 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3=NOCC3)C2)nc1 ZINC001652761354 1171474176 /nfs/dbraw/zinc/47/41/76/1171474176.db2.gz XDKYTTHHHWVFJQ-SNVBAGLBSA-N 1 1 291.311 1.252 10 5 CDBEMO Cc1ccc(NC(=O)C[N@H+](C)C2CCC2)c(N)c1[N+](=O)[O-] ZINC001653214253 1171517373 /nfs/dbraw/zinc/51/73/73/1171517373.db2.gz BRWGDQYYEFALFI-UHFFFAOYSA-N 1 1 292.339 1.908 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001618599725 1171617418 /nfs/dbraw/zinc/61/74/18/1171617418.db2.gz QUHBLDFXEDDNGU-GYSYKLTISA-N 1 1 280.324 1.331 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@]23CCOC3)c1 ZINC001655905191 1171741758 /nfs/dbraw/zinc/74/17/58/1171741758.db2.gz LNPUBIXLODOXLG-CYBMUJFWSA-N 1 1 280.328 1.436 10 5 CDBEMO COCCC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001690919163 1175610308 /nfs/dbraw/zinc/61/03/08/1175610308.db2.gz FQKUGDLVZSSEMF-UHFFFAOYSA-N 1 1 295.339 1.179 10 5 CDBEMO O=C(NCC1([NH2+]C/C=C\Cl)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001717150146 1180549360 /nfs/dbraw/zinc/54/93/60/1180549360.db2.gz PUGJFTFDHLULBW-ICFXRCHLSA-N 1 1 287.747 1.033 10 5 CDBEMO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000931036991 829409407 /nfs/dbraw/zinc/40/94/07/829409407.db2.gz JSDJQXVRNXVRLJ-MFKMUULPSA-N 1 1 279.340 1.825 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000846220523 829976933 /nfs/dbraw/zinc/97/69/33/829976933.db2.gz JMYZDECAFDUJHE-RNCFNFMXSA-N 1 1 263.297 1.094 10 5 CDBEMO O=C1CC[C@@H](C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)N1 ZINC000844310306 830250205 /nfs/dbraw/zinc/25/02/05/830250205.db2.gz QRNMCSWHKDYVAM-NSHDSACASA-N 1 1 275.308 1.232 10 5 CDBEMO O=C1CC[C@@H](C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)N1 ZINC000844310306 830250211 /nfs/dbraw/zinc/25/02/11/830250211.db2.gz QRNMCSWHKDYVAM-NSHDSACASA-N 1 1 275.308 1.232 10 5 CDBEMO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880438420 830273740 /nfs/dbraw/zinc/27/37/40/830273740.db2.gz HEWRLKQLUVEYHE-GHMZBOCLSA-N 1 1 293.323 1.379 10 5 CDBEMO C[C@@H]1CC[C@H](CO)[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000880438420 830273744 /nfs/dbraw/zinc/27/37/44/830273744.db2.gz HEWRLKQLUVEYHE-GHMZBOCLSA-N 1 1 293.323 1.379 10 5 CDBEMO Cc1ccc(CN[C@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000722303534 832343455 /nfs/dbraw/zinc/34/34/55/832343455.db2.gz BDPCCIPSPFJALS-AAEUAGOBSA-N 1 1 263.341 1.943 10 5 CDBEMO Cc1ccc(CN[C@H]2C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000722303534 832343464 /nfs/dbraw/zinc/34/34/64/832343464.db2.gz BDPCCIPSPFJALS-AAEUAGOBSA-N 1 1 263.341 1.943 10 5 CDBEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000048482429 833850258 /nfs/dbraw/zinc/85/02/58/833850258.db2.gz HGSDBARJCZYMBN-NSHDSACASA-N 1 1 292.339 1.391 10 5 CDBEMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959693 832442064 /nfs/dbraw/zinc/44/20/64/832442064.db2.gz SEHSOEMCWKHEJR-DKTWLAJQSA-N 1 1 281.287 1.430 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928456822 833891229 /nfs/dbraw/zinc/89/12/29/833891229.db2.gz SKXBSLDBLALBPU-ZYHUDNBSSA-N 1 1 277.324 1.346 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895645921 832882896 /nfs/dbraw/zinc/88/28/96/832882896.db2.gz TUBQKIIGOKKQPV-FZMZJTMJSA-N 1 1 262.309 1.778 10 5 CDBEMO CC(C)(O)C[N@H+]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000865998994 834378664 /nfs/dbraw/zinc/37/86/64/834378664.db2.gz VQCONOOWLDFJSD-JTQLQIEISA-N 1 1 297.330 1.991 10 5 CDBEMO C[C@@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000126886014 834794117 /nfs/dbraw/zinc/79/41/17/834794117.db2.gz JBCCDTCZIDLFHW-GHMZBOCLSA-N 1 1 298.364 1.823 10 5 CDBEMO O=[N+]([O-])CC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000930374292 835457466 /nfs/dbraw/zinc/45/74/66/835457466.db2.gz UQQZTNBCICRMLK-UHFFFAOYSA-N 1 1 253.277 1.619 10 5 CDBEMO CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001567494177 1168810870 /nfs/dbraw/zinc/81/08/70/1168810870.db2.gz TUCJNGMFZHCKJY-CHWSQXEVSA-N 1 1 295.383 1.280 10 5 CDBEMO CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001269411378 903786904 /nfs/dbraw/zinc/78/69/04/903786904.db2.gz DRKVRMKCRQBQLJ-BLDJZWNYSA-N 1 1 281.356 1.246 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141313592 936844779 /nfs/dbraw/zinc/84/47/79/936844779.db2.gz FFHXAECUROTJAM-AAEUAGOBSA-N 1 1 293.298 1.463 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001141313592 936844780 /nfs/dbraw/zinc/84/47/80/936844780.db2.gz FFHXAECUROTJAM-AAEUAGOBSA-N 1 1 293.298 1.463 10 5 CDBEMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC001325881171 954121539 /nfs/dbraw/zinc/12/15/39/954121539.db2.gz PTPOINZJTQTMES-CHWSQXEVSA-N 1 1 278.308 1.085 10 5 CDBEMO Cc1[nH+]ccn1CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001294209919 954476948 /nfs/dbraw/zinc/47/69/48/954476948.db2.gz CRCDWMAEZKLXER-UHFFFAOYSA-N 1 1 286.291 1.642 10 5 CDBEMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001520876903 970234939 /nfs/dbraw/zinc/23/49/39/970234939.db2.gz JDXKSHUTHRSZDX-ZMLRMANQSA-N 1 1 292.339 1.003 10 5 CDBEMO C[N@H+]1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472025466 970539036 /nfs/dbraw/zinc/53/90/36/970539036.db2.gz BSYGPWSZEWAMOA-GFCCVEGCSA-N 1 1 295.314 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CDBEMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000341819064 130055693 /nfs/dbraw/zinc/05/56/93/130055693.db2.gz FGLGMBBSGNOSFX-JTQLQIEISA-N 1 1 292.339 1.464 10 5 CDBEMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000341819064 130055696 /nfs/dbraw/zinc/05/56/96/130055696.db2.gz FGLGMBBSGNOSFX-JTQLQIEISA-N 1 1 292.339 1.464 10 5 CDBEMO CC(C)[C@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000357049506 391936602 /nfs/dbraw/zinc/93/66/02/391936602.db2.gz YJVAFEPPZSKKDX-ZDUSSCGKSA-N 1 1 294.355 1.180 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000418110085 392875932 /nfs/dbraw/zinc/87/59/32/392875932.db2.gz IZXHAPGOXYUETL-GHMZBOCLSA-N 1 1 299.396 1.543 10 5 CDBEMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000420980920 392923987 /nfs/dbraw/zinc/92/39/87/392923987.db2.gz VFUNBUFCTBJRRU-NSHDSACASA-N 1 1 263.297 1.163 10 5 CDBEMO CC(=O)N1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000268703590 132052556 /nfs/dbraw/zinc/05/25/56/132052556.db2.gz RUDHEYXHWSDWRU-LBPRGKRZSA-N 1 1 291.351 1.690 10 5 CDBEMO CC(=O)N1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000268703590 132052557 /nfs/dbraw/zinc/05/25/57/132052557.db2.gz RUDHEYXHWSDWRU-LBPRGKRZSA-N 1 1 291.351 1.690 10 5 CDBEMO C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000229980345 140204592 /nfs/dbraw/zinc/20/45/92/140204592.db2.gz NEHPRXZAMHYUKV-VIFPVBQESA-N 1 1 293.323 1.513 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCNC(=O)N(C)C ZINC000350010876 154306209 /nfs/dbraw/zinc/30/62/09/154306209.db2.gz WKYWMYJWGNNKFY-UHFFFAOYSA-N 1 1 294.355 1.606 10 5 CDBEMO CNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000362967614 159280509 /nfs/dbraw/zinc/28/05/09/159280509.db2.gz RZRQTFHNMWKOFL-LBPRGKRZSA-N 1 1 283.303 1.594 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000044340876 175163698 /nfs/dbraw/zinc/16/36/98/175163698.db2.gz LLLMJNDNUDXEHM-VIFPVBQESA-N 1 1 268.269 1.036 10 5 CDBEMO C[N@@H+]1CCCC[C@@H]1CNCc1ccc([N+](=O)[O-])o1 ZINC000044561083 175205211 /nfs/dbraw/zinc/20/52/11/175205211.db2.gz OLVJCIMKRHEFAO-SNVBAGLBSA-N 1 1 253.302 1.762 10 5 CDBEMO C[N@H+]1CCCC[C@@H]1CNCc1ccc([N+](=O)[O-])o1 ZINC000044561083 175205212 /nfs/dbraw/zinc/20/52/12/175205212.db2.gz OLVJCIMKRHEFAO-SNVBAGLBSA-N 1 1 253.302 1.762 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000044564363 175207319 /nfs/dbraw/zinc/20/73/19/175207319.db2.gz CLTKXIQDTMIYBS-NSHDSACASA-N 1 1 295.314 1.948 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408464284 274375349 /nfs/dbraw/zinc/37/53/49/274375349.db2.gz DTOFRLMJACAYIO-ZJUUUORDSA-N 1 1 280.303 1.802 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCOC[C@H]3C2)c(Cl)c1 ZINC000363772143 275041048 /nfs/dbraw/zinc/04/10/48/275041048.db2.gz AGSZRQSWUGZOOB-SNVBAGLBSA-N 1 1 298.730 1.164 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCOC[C@H]3C2)c(Cl)c1 ZINC000363772143 275041049 /nfs/dbraw/zinc/04/10/49/275041049.db2.gz AGSZRQSWUGZOOB-SNVBAGLBSA-N 1 1 298.730 1.164 10 5 CDBEMO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc([N+](=O)[O-])c1 ZINC000368009082 280331338 /nfs/dbraw/zinc/33/13/38/280331338.db2.gz MDIAIECKIOSVHX-NSHDSACASA-N 1 1 299.277 1.582 10 5 CDBEMO COCC(=O)N(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001698980349 1159181412 /nfs/dbraw/zinc/18/14/12/1159181412.db2.gz KBHAXZCIKOMNNV-UHFFFAOYSA-N 1 1 295.339 1.131 10 5 CDBEMO COCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001698980349 1159181414 /nfs/dbraw/zinc/18/14/14/1159181414.db2.gz KBHAXZCIKOMNNV-UHFFFAOYSA-N 1 1 295.339 1.131 10 5 CDBEMO CC[N@@H+](CCOC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816652 521136246 /nfs/dbraw/zinc/13/62/46/521136246.db2.gz HMXYGHZGUVLXKS-UHFFFAOYSA-N 1 1 253.302 1.645 10 5 CDBEMO CNc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000050770082 522640916 /nfs/dbraw/zinc/64/09/16/522640916.db2.gz WGUSTSVYUHGKBE-JTQLQIEISA-N 1 1 292.339 1.318 10 5 CDBEMO COCCC[N@@H+](CCOC)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816289 523255354 /nfs/dbraw/zinc/25/53/54/523255354.db2.gz UTJWTNVXOFLLOV-UHFFFAOYSA-N 1 1 297.355 1.662 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050708170 523796867 /nfs/dbraw/zinc/79/68/67/523796867.db2.gz CWYZCWYYPFYSFM-NSHDSACASA-N 1 1 292.339 1.391 10 5 CDBEMO Cc1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1[N+](=O)[O-] ZINC000366024253 524471906 /nfs/dbraw/zinc/47/19/06/524471906.db2.gz LDYMFAMVMBPRGZ-OAHLLOKOSA-N 1 1 289.335 1.615 10 5 CDBEMO C[C@@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000068801291 525487047 /nfs/dbraw/zinc/48/70/47/525487047.db2.gz SOTZHOHPYGNBCL-CHWSQXEVSA-N 1 1 292.383 1.491 10 5 CDBEMO C[C@@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000068801291 525487055 /nfs/dbraw/zinc/48/70/55/525487055.db2.gz SOTZHOHPYGNBCL-CHWSQXEVSA-N 1 1 292.383 1.491 10 5 CDBEMO Nc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000050817070 527482676 /nfs/dbraw/zinc/48/26/76/527482676.db2.gz VCNUDHTVILVZET-LLVKDONJSA-N 1 1 265.313 1.524 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000729919519 574827657 /nfs/dbraw/zinc/82/76/57/574827657.db2.gz PHFHVESOSHREGI-YSKGHYERSA-N 1 1 289.335 1.818 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000747833140 576886325 /nfs/dbraw/zinc/88/63/25/576886325.db2.gz VCMDFVDSJBBYKL-VXGBXAGGSA-N 1 1 280.328 1.497 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000747833140 576886326 /nfs/dbraw/zinc/88/63/26/576886326.db2.gz VCMDFVDSJBBYKL-VXGBXAGGSA-N 1 1 280.328 1.497 10 5 CDBEMO Cn1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1=O ZINC000757167127 577033001 /nfs/dbraw/zinc/03/30/01/577033001.db2.gz AJFGDWOCZQUZEO-UHFFFAOYSA-N 1 1 299.330 1.852 10 5 CDBEMO Cn1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1=O ZINC000757167127 577033004 /nfs/dbraw/zinc/03/30/04/577033004.db2.gz AJFGDWOCZQUZEO-UHFFFAOYSA-N 1 1 299.330 1.852 10 5 CDBEMO C[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928564226 619398033 /nfs/dbraw/zinc/39/80/33/619398033.db2.gz VJXZYOHBXLBJBQ-JTQLQIEISA-N 1 1 288.307 1.510 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC001613088043 1165529856 /nfs/dbraw/zinc/52/98/56/1165529856.db2.gz NFGZNWYSUXLIPW-SNVBAGLBSA-N 1 1 250.302 1.520 10 5 CDBEMO O=[N+]([O-])c1cc(F)c(N2CC([NH2+]C3COC3)C2)c(F)c1 ZINC001651455084 1171326842 /nfs/dbraw/zinc/32/68/42/1171326842.db2.gz SVGVDTTUIQEZCG-UHFFFAOYSA-N 1 1 285.250 1.050 10 5 CDBEMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001596460721 1174239644 /nfs/dbraw/zinc/23/96/44/1174239644.db2.gz AWPKIKKDQSSXLR-NXEZZACHSA-N 1 1 292.339 1.342 10 5 CDBEMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001596460721 1174239647 /nfs/dbraw/zinc/23/96/47/1174239647.db2.gz AWPKIKKDQSSXLR-NXEZZACHSA-N 1 1 292.339 1.342 10 5 CDBEMO C[C@@H](NCC[N@H+]1CC[C@@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089754 837398778 /nfs/dbraw/zinc/39/87/78/837398778.db2.gz DLOGOQBJFJKHGT-GHMZBOCLSA-N 1 1 297.330 1.451 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776279774 835855984 /nfs/dbraw/zinc/85/59/84/835855984.db2.gz YVFVPGMRVGEEMQ-DGCLKSJQSA-N 1 1 294.307 1.123 10 5 CDBEMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000719625177 836821429 /nfs/dbraw/zinc/82/14/29/836821429.db2.gz OMNJHSNDUROKPF-NXEZZACHSA-N 1 1 250.302 1.803 10 5 CDBEMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CC[N+](=O)[O-] ZINC000931567187 836863426 /nfs/dbraw/zinc/86/34/26/836863426.db2.gz OXHJEDITEKUIIK-VXGBXAGGSA-N 1 1 299.371 1.737 10 5 CDBEMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CC[N+](=O)[O-] ZINC000931567187 836863427 /nfs/dbraw/zinc/86/34/27/836863427.db2.gz OXHJEDITEKUIIK-VXGBXAGGSA-N 1 1 299.371 1.737 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000782535334 839097810 /nfs/dbraw/zinc/09/78/10/839097810.db2.gz KDDXUGJXOOFEFX-CQSZACIVSA-N 1 1 292.335 1.741 10 5 CDBEMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+]1C ZINC000719367267 839512568 /nfs/dbraw/zinc/51/25/68/839512568.db2.gz BZOSOINCMMKIDC-SFYZADRCSA-N 1 1 268.292 1.821 10 5 CDBEMO Cc1nn(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c(C)c1[N+](=O)[O-] ZINC000789568765 839539550 /nfs/dbraw/zinc/53/95/50/839539550.db2.gz VRTFGIJOXICGDV-CQSZACIVSA-N 1 1 294.355 1.868 10 5 CDBEMO Cc1nn(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(C)c1[N+](=O)[O-] ZINC000789568765 839539561 /nfs/dbraw/zinc/53/95/61/839539561.db2.gz VRTFGIJOXICGDV-CQSZACIVSA-N 1 1 294.355 1.868 10 5 CDBEMO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000930732435 839869434 /nfs/dbraw/zinc/86/94/34/839869434.db2.gz JPHJFDWRDQVIOM-LLVKDONJSA-N 1 1 278.312 1.729 10 5 CDBEMO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000720462782 839961427 /nfs/dbraw/zinc/96/14/27/839961427.db2.gz LPPKBWCGAYRDEZ-JQWIXIFHSA-N 1 1 294.380 1.982 10 5 CDBEMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](CC[N+](=O)[O-])C[C@]2(C)C1 ZINC000931611552 841007589 /nfs/dbraw/zinc/00/75/89/841007589.db2.gz BMLZBYIQIBNTBO-SMDDNHRTSA-N 1 1 299.371 1.452 10 5 CDBEMO Cc1noc(C[NH2+][C@]23CCC[C@H]2OCC3)c1[N+](=O)[O-] ZINC000872316315 841710667 /nfs/dbraw/zinc/71/06/67/841710667.db2.gz KKYSRFXVEMOTMY-PWSUYJOCSA-N 1 1 267.285 1.692 10 5 CDBEMO CC[N@@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000712343309 841957408 /nfs/dbraw/zinc/95/74/08/841957408.db2.gz POGNUECMOQYQPA-VIFPVBQESA-N 1 1 281.287 1.558 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000712343309 841957419 /nfs/dbraw/zinc/95/74/19/841957419.db2.gz POGNUECMOQYQPA-VIFPVBQESA-N 1 1 281.287 1.558 10 5 CDBEMO C[N@H+](CCNC(=O)CCCF)Cc1cccc([N+](=O)[O-])c1 ZINC001480900583 896322465 /nfs/dbraw/zinc/32/24/65/896322465.db2.gz SOSPXFKCUSSXQW-UHFFFAOYSA-N 1 1 297.330 1.893 10 5 CDBEMO C[N@@H+](CCNC(=O)CCCF)Cc1cccc([N+](=O)[O-])c1 ZINC001480900583 896322476 /nfs/dbraw/zinc/32/24/76/896322476.db2.gz SOSPXFKCUSSXQW-UHFFFAOYSA-N 1 1 297.330 1.893 10 5 CDBEMO CC(C)c1ncc(CNc2nn(C)cc2[N+](=O)[O-])[nH]1 ZINC001187724782 920623610 /nfs/dbraw/zinc/62/36/10/920623610.db2.gz PCRXLIUXJZOSJK-UHFFFAOYSA-N 1 1 264.289 1.787 10 5 CDBEMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1(O)CCOCC1)C2 ZINC001119733883 937752180 /nfs/dbraw/zinc/75/21/80/937752180.db2.gz XYOHZKORJFBCDC-UHFFFAOYSA-N 1 1 278.308 1.452 10 5 CDBEMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1(O)CCOCC1)C2 ZINC001119733883 937752182 /nfs/dbraw/zinc/75/21/82/937752182.db2.gz XYOHZKORJFBCDC-UHFFFAOYSA-N 1 1 278.308 1.452 10 5 CDBEMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCn1cnnc1 ZINC001473765702 970848283 /nfs/dbraw/zinc/84/82/83/970848283.db2.gz NGSRJQYATCMEDT-UHFFFAOYSA-N 1 1 291.311 1.197 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC001558874436 965365109 /nfs/dbraw/zinc/36/51/09/965365109.db2.gz JKUWVWBFNSNFQU-JTQLQIEISA-N 1 1 292.339 1.343 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC001558874254 965365798 /nfs/dbraw/zinc/36/57/98/965365798.db2.gz DJZKKLNXIQPFLY-AWEZNQCLSA-N 1 1 291.351 1.690 10 5 CDBEMO Cc1nc(N2CC[NH+](CCCF)CC2)ncc1[N+](=O)[O-] ZINC001348111072 965825641 /nfs/dbraw/zinc/82/56/41/965825641.db2.gz RPPNEMGTEJVTLU-UHFFFAOYSA-N 1 1 283.307 1.175 10 5 CDBEMO CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001498546821 973980868 /nfs/dbraw/zinc/98/08/68/973980868.db2.gz ZCSQPTMVTUPANP-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO CCC[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001571611894 1170494602 /nfs/dbraw/zinc/49/46/02/1170494602.db2.gz QDLGTTKZPRWKJQ-VXGBXAGGSA-N 1 1 271.361 1.230 10 5 CDBEMO CCC[N@H+](C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001571611894 1170494605 /nfs/dbraw/zinc/49/46/05/1170494605.db2.gz QDLGTTKZPRWKJQ-VXGBXAGGSA-N 1 1 271.361 1.230 10 5 CDBEMO CCC[N@@H+](C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001571611894 1170494606 /nfs/dbraw/zinc/49/46/06/1170494606.db2.gz QDLGTTKZPRWKJQ-VXGBXAGGSA-N 1 1 271.361 1.230 10 5 CDBEMO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001652492230 1171444157 /nfs/dbraw/zinc/44/41/57/1171444157.db2.gz VYXKJRBYHNQPRD-NSHDSACASA-N 1 1 278.312 1.060 10 5 CDBEMO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727020 342829820 /nfs/dbraw/zinc/82/98/20/342829820.db2.gz AINTZBIRGVWKTH-AOOOYVTPSA-N 1 1 265.313 1.483 10 5 CDBEMO C[NH2+]CCOCCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000600725517 342245128 /nfs/dbraw/zinc/24/51/28/342245128.db2.gz FJZWZTKQILVWAR-GFCCVEGCSA-N 1 1 281.356 1.824 10 5 CDBEMO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594590760 342922539 /nfs/dbraw/zinc/92/25/39/342922539.db2.gz AISMNDBEUWGIRK-SDDRHHMPSA-N 1 1 294.355 1.321 10 5 CDBEMO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594590760 342922540 /nfs/dbraw/zinc/92/25/40/342922540.db2.gz AISMNDBEUWGIRK-SDDRHHMPSA-N 1 1 294.355 1.321 10 5 CDBEMO COc1cc(C[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000305866486 536754200 /nfs/dbraw/zinc/75/42/00/536754200.db2.gz ZUDCYSAGVUHGGI-LLVKDONJSA-N 1 1 266.297 1.560 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595762224 343144832 /nfs/dbraw/zinc/14/48/32/343144832.db2.gz QSQGAOBPJURCFQ-GXFFZTMASA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595762224 343144834 /nfs/dbraw/zinc/14/48/34/343144834.db2.gz QSQGAOBPJURCFQ-GXFFZTMASA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)s1 ZINC000596537559 343345570 /nfs/dbraw/zinc/34/55/70/343345570.db2.gz HORNAHGJNURNIN-NSHDSACASA-N 1 1 297.380 1.692 10 5 CDBEMO Cn1c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597857614 343648117 /nfs/dbraw/zinc/64/81/17/343648117.db2.gz GVRXBAOIAJMJDN-SNVBAGLBSA-N 1 1 294.355 1.536 10 5 CDBEMO CC[N@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000292640119 362482192 /nfs/dbraw/zinc/48/21/92/362482192.db2.gz ATPUTBMAUQISRI-QWHCGFSZSA-N 1 1 292.339 1.289 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000603843244 344838205 /nfs/dbraw/zinc/83/82/05/344838205.db2.gz HTRLFUOABCTCTL-GXFFZTMASA-N 1 1 290.323 1.763 10 5 CDBEMO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000293486421 362566282 /nfs/dbraw/zinc/56/62/82/362566282.db2.gz SKLICQIBEHJBKJ-MNOVXSKESA-N 1 1 289.335 1.824 10 5 CDBEMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000293486421 362566287 /nfs/dbraw/zinc/56/62/87/362566287.db2.gz SKLICQIBEHJBKJ-MNOVXSKESA-N 1 1 289.335 1.824 10 5 CDBEMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000611084722 346604426 /nfs/dbraw/zinc/60/44/26/346604426.db2.gz NWMNGHYAKCLCCA-SNVBAGLBSA-N 1 1 250.302 1.520 10 5 CDBEMO O=C1CC2(CN1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000075012425 350396426 /nfs/dbraw/zinc/39/64/26/350396426.db2.gz OWLXUQSGXSRDAC-UHFFFAOYSA-N 1 1 295.364 1.758 10 5 CDBEMO COc1cc(NCC(F)(F)C[NH3+])c([N+](=O)[O-])cc1C ZINC000311967082 350734887 /nfs/dbraw/zinc/73/48/87/350734887.db2.gz MKJUMPWJNCKWBN-UHFFFAOYSA-N 1 1 275.255 1.918 10 5 CDBEMO C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000273580223 192213914 /nfs/dbraw/zinc/21/39/14/192213914.db2.gz FOOJALLGLMNGTQ-UWVGGRQHSA-N 1 1 265.317 1.304 10 5 CDBEMO Nc1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000283710913 357595110 /nfs/dbraw/zinc/59/51/10/357595110.db2.gz DWOCOYORLUSBAH-UHFFFAOYSA-N 1 1 262.313 1.461 10 5 CDBEMO CC[N@@H+]1CCO[C@@H](CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000135267086 358017797 /nfs/dbraw/zinc/01/77/97/358017797.db2.gz JLYPCKWGYICJQD-NSHDSACASA-N 1 1 280.328 1.431 10 5 CDBEMO CC[N@H+]1CCO[C@@H](CNc2ncc(C)cc2[N+](=O)[O-])C1 ZINC000135267086 358017800 /nfs/dbraw/zinc/01/78/00/358017800.db2.gz JLYPCKWGYICJQD-NSHDSACASA-N 1 1 280.328 1.431 10 5 CDBEMO Cc1nc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000178016010 366465268 /nfs/dbraw/zinc/46/52/68/366465268.db2.gz NRAVLHMUVLPEAF-LLVKDONJSA-N 1 1 262.313 1.583 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000102178580 358871697 /nfs/dbraw/zinc/87/16/97/358871697.db2.gz JKEAOCRTCVCGCA-NSHDSACASA-N 1 1 292.339 1.742 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000102178580 358871701 /nfs/dbraw/zinc/87/17/01/358871701.db2.gz JKEAOCRTCVCGCA-NSHDSACASA-N 1 1 292.339 1.742 10 5 CDBEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000339473222 359404719 /nfs/dbraw/zinc/40/47/19/359404719.db2.gz JFYLJLLVDFRFTE-AOOOYVTPSA-N 1 1 295.314 1.899 10 5 CDBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000339473222 359404724 /nfs/dbraw/zinc/40/47/24/359404724.db2.gz JFYLJLLVDFRFTE-AOOOYVTPSA-N 1 1 295.314 1.899 10 5 CDBEMO Cc1cc([N+](=O)[O-])cn(C[C@H]2CC[N@H+](C)C2)c1=O ZINC000187696548 373222032 /nfs/dbraw/zinc/22/20/32/373222032.db2.gz YRRVWZXNRHYIIA-JTQLQIEISA-N 1 1 251.286 1.017 10 5 CDBEMO CN1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191102006 373446840 /nfs/dbraw/zinc/44/68/40/373446840.db2.gz ZITMYFYLWVZQIU-UHFFFAOYSA-N 1 1 277.324 1.301 10 5 CDBEMO CN1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191102006 373446846 /nfs/dbraw/zinc/44/68/46/373446846.db2.gz ZITMYFYLWVZQIU-UHFFFAOYSA-N 1 1 277.324 1.301 10 5 CDBEMO COC(=O)[C@H](C)C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000298884396 374249875 /nfs/dbraw/zinc/24/98/75/374249875.db2.gz VCPNIRVLKNRSBY-MRVPVSSYSA-N 1 1 272.326 1.897 10 5 CDBEMO COC(=O)[C@H](C)C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000298884396 374249881 /nfs/dbraw/zinc/24/98/81/374249881.db2.gz VCPNIRVLKNRSBY-MRVPVSSYSA-N 1 1 272.326 1.897 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC000418994334 374271575 /nfs/dbraw/zinc/27/15/75/374271575.db2.gz BMQUUTJZMLMGLH-STQMWFEESA-N 1 1 293.367 1.795 10 5 CDBEMO O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422938236 374364796 /nfs/dbraw/zinc/36/47/96/374364796.db2.gz HAHBMGBTLURVQG-LSDHHAIUSA-N 1 1 291.351 1.451 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278746831 194135497 /nfs/dbraw/zinc/13/54/97/194135497.db2.gz AQLPDFWCVYNALO-IAQYHMDHSA-N 1 1 289.335 1.868 10 5 CDBEMO COC[C@@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000449693389 250972665 /nfs/dbraw/zinc/97/26/65/250972665.db2.gz DCFHQELGLGYUST-HNNXBMFYSA-N 1 1 294.351 1.734 10 5 CDBEMO C[N@@H+](CCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000281609209 195307382 /nfs/dbraw/zinc/30/73/82/195307382.db2.gz GSIYOLPJHRJOJK-UHFFFAOYSA-N 1 1 254.286 1.288 10 5 CDBEMO C[C@@H]([NH3+])[C@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415015425 391245703 /nfs/dbraw/zinc/24/57/03/391245703.db2.gz NAXDTCWHKCCTOS-MXWKQRLJSA-N 1 1 294.355 1.637 10 5 CDBEMO C[C@@H](N)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415015425 391245706 /nfs/dbraw/zinc/24/57/06/391245706.db2.gz NAXDTCWHKCCTOS-MXWKQRLJSA-N 1 1 294.355 1.637 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171939042 391963040 /nfs/dbraw/zinc/96/30/40/391963040.db2.gz YLGKGFFAANZKMI-LLVKDONJSA-N 1 1 262.313 1.583 10 5 CDBEMO CC[NH+]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301358834 392694347 /nfs/dbraw/zinc/69/43/47/392694347.db2.gz PPXQGOLITKNGSR-UHFFFAOYSA-N 1 1 283.303 1.884 10 5 CDBEMO CNC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000420968169 392922706 /nfs/dbraw/zinc/92/27/06/392922706.db2.gz BJZCTFICXFEDRR-ZYHUDNBSSA-N 1 1 277.324 1.724 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCCO ZINC000430234773 393095484 /nfs/dbraw/zinc/09/54/84/393095484.db2.gz BVNCAEFCGSGFSM-UHFFFAOYSA-N 1 1 268.313 1.808 10 5 CDBEMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138828 393067048 /nfs/dbraw/zinc/06/70/48/393067048.db2.gz IQJYPGVGQRFZBD-GXFFZTMASA-N 1 1 292.339 1.402 10 5 CDBEMO CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347015278 153379451 /nfs/dbraw/zinc/37/94/51/153379451.db2.gz ROSDWZPHGPUVSY-LLVKDONJSA-N 1 1 295.364 1.965 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCCO ZINC000349918654 154272384 /nfs/dbraw/zinc/27/23/84/154272384.db2.gz DSEWSXCKMNPPKA-UHFFFAOYSA-N 1 1 295.339 1.546 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCCO ZINC000349918654 154272389 /nfs/dbraw/zinc/27/23/89/154272389.db2.gz DSEWSXCKMNPPKA-UHFFFAOYSA-N 1 1 295.339 1.546 10 5 CDBEMO CN(Cc1ccc(NN)c([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191165 176070187 /nfs/dbraw/zinc/07/01/87/176070187.db2.gz SLPWCUQARCLMTI-GFCCVEGCSA-N 1 1 293.371 1.264 10 5 CDBEMO O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CCc4[nH]c[nH+]c4C3)[nH]c2c1 ZINC000450532618 275037501 /nfs/dbraw/zinc/03/75/01/275037501.db2.gz QCDIVILIOGRIMS-QMMMGPOBSA-N 1 1 298.306 1.586 10 5 CDBEMO CCN(C)C(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153270690 289162583 /nfs/dbraw/zinc/16/25/83/289162583.db2.gz QWUUHCLCXWKVPB-UHFFFAOYSA-N 1 1 291.351 1.821 10 5 CDBEMO C[C@H]1C[C@H](C)[NH+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000547769515 289805892 /nfs/dbraw/zinc/80/58/92/289805892.db2.gz GDTIDSGSQGWSQU-QWRGUYRKSA-N 1 1 289.335 1.967 10 5 CDBEMO CNC(=O)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443689 524100592 /nfs/dbraw/zinc/10/05/92/524100592.db2.gz GXOHMYINVJOYFW-ZETCQYMHSA-N 1 1 271.704 1.472 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000183224349 525562832 /nfs/dbraw/zinc/56/28/32/525562832.db2.gz JYYPYQICCQBRQO-LLVKDONJSA-N 1 1 263.297 1.210 10 5 CDBEMO Cc1sc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000049515997 526871956 /nfs/dbraw/zinc/87/19/56/526871956.db2.gz YUXCJXGAONMGPM-SNVBAGLBSA-N 1 1 295.364 1.885 10 5 CDBEMO C[N@H+]1C[C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896911794 620302234 /nfs/dbraw/zinc/30/22/34/620302234.db2.gz DDHVNTSCWHUFOL-RNCFNFMXSA-N 1 1 278.312 1.083 10 5 CDBEMO C[S@@](=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000798196313 620590641 /nfs/dbraw/zinc/59/06/41/620590641.db2.gz MYOPBGRBMPVFPX-LJQANCHMSA-N 1 1 282.365 1.938 10 5 CDBEMO C[S@@](=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000798196313 620590642 /nfs/dbraw/zinc/59/06/42/620590642.db2.gz MYOPBGRBMPVFPX-LJQANCHMSA-N 1 1 282.365 1.938 10 5 CDBEMO C[N@H+](CC1CC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794622102 1164527561 /nfs/dbraw/zinc/52/75/61/1164527561.db2.gz YYPNVIIQFIVZKD-UHFFFAOYSA-N 1 1 277.280 1.802 10 5 CDBEMO C[N@@H+](CC1CC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794622102 1164527566 /nfs/dbraw/zinc/52/75/66/1164527566.db2.gz YYPNVIIQFIVZKD-UHFFFAOYSA-N 1 1 277.280 1.802 10 5 CDBEMO CCc1[nH+]ccn1CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC001612908337 1165523896 /nfs/dbraw/zinc/52/38/96/1165523896.db2.gz MHHXZQCWHPACGF-UHFFFAOYSA-N 1 1 276.300 1.564 10 5 CDBEMO C[C@@H](O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001617860023 1165611140 /nfs/dbraw/zinc/61/11/40/1165611140.db2.gz KQBUAHQHMIVBCU-WDEREUQCSA-N 1 1 252.314 1.838 10 5 CDBEMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1N)C(C)C ZINC001627169793 1165981846 /nfs/dbraw/zinc/98/18/46/1165981846.db2.gz UTHNHKIQZPMZGE-UHFFFAOYSA-N 1 1 294.355 1.637 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1NCc1c[nH+]c2n1CCC2 ZINC001643186501 1167233453 /nfs/dbraw/zinc/23/34/53/1167233453.db2.gz BOQYZROJXASPAH-UHFFFAOYSA-N 1 1 290.327 1.874 10 5 CDBEMO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001648169628 1169106465 /nfs/dbraw/zinc/10/64/65/1169106465.db2.gz YGEWTMIVSOONOD-BXKDBHETSA-N 1 1 293.323 1.039 10 5 CDBEMO C[C@H]([C@H](C)O)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001653400144 1171540413 /nfs/dbraw/zinc/54/04/13/1171540413.db2.gz MSBUYWKFSAAUHS-MNOVXSKESA-N 1 1 252.314 1.838 10 5 CDBEMO C[C@H]1[C@@H](O)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001653619299 1171556269 /nfs/dbraw/zinc/55/62/69/1171556269.db2.gz PUDZGWJNZMOEMN-XDTLVQLUSA-N 1 1 266.297 1.083 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@]23CCCOC3)n1 ZINC001660700534 1172260024 /nfs/dbraw/zinc/26/00/24/1172260024.db2.gz LWQWAKPESGMKNP-CQSZACIVSA-N 1 1 294.355 1.826 10 5 CDBEMO CC(C)[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001698627137 1175878523 /nfs/dbraw/zinc/87/85/23/1175878523.db2.gz RLTWADYKCSFJSJ-GHMZBOCLSA-N 1 1 269.345 1.079 10 5 CDBEMO CC[C@@H](C)[N@@H+](C)CCNc1nn(C)cc1[N+](=O)[O-] ZINC000220316518 1177910869 /nfs/dbraw/zinc/91/08/69/1177910869.db2.gz AQEDUZZTCJWZDR-SECBINFHSA-N 1 1 255.322 1.471 10 5 CDBEMO CCCCC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001715095353 1179549549 /nfs/dbraw/zinc/54/95/49/1179549549.db2.gz QWDUNDWIZUFWNB-CHWSQXEVSA-N 1 1 297.399 1.860 10 5 CDBEMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)[C@@H](C)C1 ZINC001636341366 1166670241 /nfs/dbraw/zinc/67/02/41/1166670241.db2.gz JVMMNOWEMBCTED-NSHDSACASA-N 1 1 292.339 1.464 10 5 CDBEMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)[C@@H](C)C1 ZINC001636341366 1166670243 /nfs/dbraw/zinc/67/02/43/1166670243.db2.gz JVMMNOWEMBCTED-NSHDSACASA-N 1 1 292.339 1.464 10 5 CDBEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830719885 844053795 /nfs/dbraw/zinc/05/37/95/844053795.db2.gz JEVKKLZLGGYKHL-BPLDGKMQSA-N 1 1 294.351 1.721 10 5 CDBEMO CN(C(=O)OC(C)(C)C)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929600707 844115631 /nfs/dbraw/zinc/11/56/31/844115631.db2.gz UNCZYHIVLXEGIV-UHFFFAOYSA-N 1 1 287.360 1.594 10 5 CDBEMO Cc1ccc([C@@H](C)[NH2+][C@H]2CNOC2)cc1[N+](=O)[O-] ZINC000925872653 843348025 /nfs/dbraw/zinc/34/80/25/843348025.db2.gz IOGCZDFOCMJGLA-KOLCDFICSA-N 1 1 251.286 1.457 10 5 CDBEMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)Cc2c[nH]nc21 ZINC000931460024 843625614 /nfs/dbraw/zinc/62/56/14/843625614.db2.gz UTCZZRHFUFYXIC-SECBINFHSA-N 1 1 276.300 1.134 10 5 CDBEMO CCn1ncc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000838986809 845123987 /nfs/dbraw/zinc/12/39/87/845123987.db2.gz NUFQLJAGQHFRBH-ZDUSSCGKSA-N 1 1 291.311 1.029 10 5 CDBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCC1 ZINC000929165618 845273488 /nfs/dbraw/zinc/27/34/88/845273488.db2.gz UDUALSCTOJBXAS-ZDUSSCGKSA-N 1 1 280.324 1.303 10 5 CDBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCC1 ZINC000929165618 845273501 /nfs/dbraw/zinc/27/35/01/845273501.db2.gz UDUALSCTOJBXAS-ZDUSSCGKSA-N 1 1 280.324 1.303 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCOc1ccccc1[N+](=O)[O-] ZINC000931396022 845289268 /nfs/dbraw/zinc/28/92/68/845289268.db2.gz ICSHDHLKQUBKCN-BETUJISGSA-N 1 1 291.351 1.752 10 5 CDBEMO Cc1ccc(N2CC(C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000820591442 845850877 /nfs/dbraw/zinc/85/08/77/845850877.db2.gz KYJKAZDEROZHLK-UHFFFAOYSA-N 1 1 291.351 1.672 10 5 CDBEMO [NH3+]C1(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOCC1 ZINC000131873074 846072590 /nfs/dbraw/zinc/07/25/90/846072590.db2.gz AXZLTFKGQAFTOV-UHFFFAOYSA-N 1 1 290.279 1.609 10 5 CDBEMO CCON(C)C(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000846065213 846288260 /nfs/dbraw/zinc/28/82/60/846288260.db2.gz ROKWXWJLVHHEMI-UHFFFAOYSA-N 1 1 267.285 1.094 10 5 CDBEMO C[N@@H+](CC[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000930666096 846741493 /nfs/dbraw/zinc/74/14/93/846741493.db2.gz RUGYUYDUEPFDGL-UHFFFAOYSA-N 1 1 269.267 1.222 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928445561 847971217 /nfs/dbraw/zinc/97/12/17/847971217.db2.gz ZCNBGTIRLVZAJA-MNOVXSKESA-N 1 1 277.324 1.726 10 5 CDBEMO CC[N@@H+](CCNC(=O)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267234828 897258839 /nfs/dbraw/zinc/25/88/39/897258839.db2.gz PTKSVWXKHMOZBR-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO O=C(NCC1([NH2+]CC2CC2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001482219128 903817002 /nfs/dbraw/zinc/81/70/02/903817002.db2.gz ZQSDIDCHNIFHNV-VXGBXAGGSA-N 1 1 281.356 1.080 10 5 CDBEMO CCN(CC)[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819062574 930759429 /nfs/dbraw/zinc/75/94/29/930759429.db2.gz ROJSXTMMXDIEDD-IUODEOHRSA-N 1 1 295.383 1.948 10 5 CDBEMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000933759519 933855223 /nfs/dbraw/zinc/85/52/23/933855223.db2.gz JCGPKAIPVSQHDU-WFASDCNBSA-N 1 1 289.335 1.682 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C ZINC001293891976 954426049 /nfs/dbraw/zinc/42/60/49/954426049.db2.gz QHLXVTUTQSKJMX-NXEZZACHSA-N 1 1 295.343 1.263 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001457408557 969155339 /nfs/dbraw/zinc/15/53/39/969155339.db2.gz DHNYZTXWZLULQP-NSHDSACASA-N 1 1 292.339 1.343 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC001457418547 969159687 /nfs/dbraw/zinc/15/96/87/969159687.db2.gz YWLGCGXDVCWRQC-SECBINFHSA-N 1 1 266.301 1.089 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)cn1 ZINC001472894091 970724025 /nfs/dbraw/zinc/72/40/25/970724025.db2.gz MGVJZEDGMYQYTN-ONGXEEELSA-N 1 1 266.276 1.222 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)cn1 ZINC001472894091 970724036 /nfs/dbraw/zinc/72/40/36/970724036.db2.gz MGVJZEDGMYQYTN-ONGXEEELSA-N 1 1 266.276 1.222 10 5 CDBEMO CC(C)[C@H](O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601121925 342471343 /nfs/dbraw/zinc/47/13/43/342471343.db2.gz RKJVESNILATNEO-CQSZACIVSA-N 1 1 275.308 1.994 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590011959 342519805 /nfs/dbraw/zinc/51/98/05/342519805.db2.gz NRGFTQHEIBHQAK-FZMZJTMJSA-N 1 1 291.351 1.739 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045261 342520587 /nfs/dbraw/zinc/52/05/87/342520587.db2.gz OIRXTEVWWJJQIB-WCBMZHEXSA-N 1 1 281.337 1.432 10 5 CDBEMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])s1 ZINC000591370563 342629888 /nfs/dbraw/zinc/62/98/88/342629888.db2.gz DQCVVVQHRUGKJP-UWVGGRQHSA-N 1 1 285.369 1.548 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])s1 ZINC000591370563 342629889 /nfs/dbraw/zinc/62/98/89/342629889.db2.gz DQCVVVQHRUGKJP-UWVGGRQHSA-N 1 1 285.369 1.548 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1CN(C)CCN1CC[NH2+]CC1 ZINC000592428359 342694748 /nfs/dbraw/zinc/69/47/48/342694748.db2.gz BRPFWLPSNDAYKQ-UHFFFAOYSA-N 1 1 292.383 1.240 10 5 CDBEMO CC1(C(N)=O)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592518552 342701510 /nfs/dbraw/zinc/70/15/10/342701510.db2.gz ZYMZBRYGJVQTFO-GQCTYLIASA-N 1 1 275.308 1.415 10 5 CDBEMO CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000593030837 342755408 /nfs/dbraw/zinc/75/54/08/342755408.db2.gz ULVGPFSUMHYBSU-SNVBAGLBSA-N 1 1 296.323 1.584 10 5 CDBEMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026450 342867505 /nfs/dbraw/zinc/86/75/05/342867505.db2.gz CAARDZVTJNXMTK-RWMBFGLXSA-N 1 1 291.351 1.407 10 5 CDBEMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000340864139 362200289 /nfs/dbraw/zinc/20/02/89/362200289.db2.gz WVAFFXNCJBRMKI-CYBMUJFWSA-N 1 1 278.356 1.944 10 5 CDBEMO Cc1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000597210965 343475853 /nfs/dbraw/zinc/47/58/53/343475853.db2.gz JCZMGXIFQQXMCM-GXTWGEPZSA-N 1 1 262.309 1.860 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598039631 343703170 /nfs/dbraw/zinc/70/31/70/343703170.db2.gz LHPLZVGCPAQRSB-GFCCVEGCSA-N 1 1 292.339 1.546 10 5 CDBEMO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680888 344117433 /nfs/dbraw/zinc/11/74/33/344117433.db2.gz JFJVBUZCZVTUFH-ZLKJLUDKSA-N 1 1 262.309 1.940 10 5 CDBEMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC=CCC1 ZINC000344061214 362541482 /nfs/dbraw/zinc/54/14/82/362541482.db2.gz MLFAAAODIRPOCQ-TZMCWYRMSA-N 1 1 294.355 1.440 10 5 CDBEMO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000293486418 362566227 /nfs/dbraw/zinc/56/62/27/362566227.db2.gz SKLICQIBEHJBKJ-GHMZBOCLSA-N 1 1 289.335 1.824 10 5 CDBEMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000293486418 362566230 /nfs/dbraw/zinc/56/62/30/362566230.db2.gz SKLICQIBEHJBKJ-GHMZBOCLSA-N 1 1 289.335 1.824 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000049400347 345989399 /nfs/dbraw/zinc/98/93/99/345989399.db2.gz DCKFVGVGFPIRPT-LLVKDONJSA-N 1 1 277.324 1.727 10 5 CDBEMO O=[N+]([O-])c1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000610910048 346487060 /nfs/dbraw/zinc/48/70/60/346487060.db2.gz KKSKGLYKCVWOIZ-GFCCVEGCSA-N 1 1 297.380 1.563 10 5 CDBEMO CCOC(=O)C[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000611236950 346706259 /nfs/dbraw/zinc/70/62/59/346706259.db2.gz FRFLILADJMHUGQ-LBPRGKRZSA-N 1 1 296.323 1.341 10 5 CDBEMO CCOC(=O)C[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000611236950 346706263 /nfs/dbraw/zinc/70/62/63/346706263.db2.gz FRFLILADJMHUGQ-LBPRGKRZSA-N 1 1 296.323 1.341 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C=O)CC1 ZINC000273015643 192019712 /nfs/dbraw/zinc/01/97/12/192019712.db2.gz WIHDVVZLNWQGOX-GFCCVEGCSA-N 1 1 277.324 1.820 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C=O)CC1 ZINC000273015643 192019713 /nfs/dbraw/zinc/01/97/13/192019713.db2.gz WIHDVVZLNWQGOX-GFCCVEGCSA-N 1 1 277.324 1.820 10 5 CDBEMO CC[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000134431591 356303431 /nfs/dbraw/zinc/30/34/31/356303431.db2.gz JGJJNOAROQQQJF-LLVKDONJSA-N 1 1 266.301 1.122 10 5 CDBEMO CC[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000134431591 356303434 /nfs/dbraw/zinc/30/34/34/356303434.db2.gz JGJJNOAROQQQJF-LLVKDONJSA-N 1 1 266.301 1.122 10 5 CDBEMO CC[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000134762626 356394237 /nfs/dbraw/zinc/39/42/37/356394237.db2.gz SSPUYDFDJMHJTE-LLVKDONJSA-N 1 1 266.301 1.122 10 5 CDBEMO CC[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000134762626 356394239 /nfs/dbraw/zinc/39/42/39/356394239.db2.gz SSPUYDFDJMHJTE-LLVKDONJSA-N 1 1 266.301 1.122 10 5 CDBEMO Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408113990 358158832 /nfs/dbraw/zinc/15/88/32/358158832.db2.gz UTPVWPZXMIIVBO-NSHDSACASA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000408113990 358158837 /nfs/dbraw/zinc/15/88/37/358158837.db2.gz UTPVWPZXMIIVBO-NSHDSACASA-N 1 1 277.324 1.679 10 5 CDBEMO C[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000408209633 358400837 /nfs/dbraw/zinc/40/08/37/358400837.db2.gz UXAXRDNQXPJNCB-VIFPVBQESA-N 1 1 296.302 1.902 10 5 CDBEMO C[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000408209633 358400838 /nfs/dbraw/zinc/40/08/38/358400838.db2.gz UXAXRDNQXPJNCB-VIFPVBQESA-N 1 1 296.302 1.902 10 5 CDBEMO C[N@H+](CCCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278446888 358440151 /nfs/dbraw/zinc/44/01/51/358440151.db2.gz XDVYMHWPFHMJLI-UHFFFAOYSA-N 1 1 283.284 1.707 10 5 CDBEMO C[N@@H+](CCCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278446888 358440153 /nfs/dbraw/zinc/44/01/53/358440153.db2.gz XDVYMHWPFHMJLI-UHFFFAOYSA-N 1 1 283.284 1.707 10 5 CDBEMO COC(=O)[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338955396 359238292 /nfs/dbraw/zinc/23/82/92/359238292.db2.gz NLHHDQLHWSOMAX-SNVBAGLBSA-N 1 1 294.307 1.685 10 5 CDBEMO Cc1nc(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297108896 200087913 /nfs/dbraw/zinc/08/79/13/200087913.db2.gz LQYZIFDSCJAHLE-MWLCHTKSSA-N 1 1 279.344 1.612 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@]2(O)CC[N@H+](C)C2)n1 ZINC000358324909 360956981 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ZTVDFUHLMQUYMN-SECBINFHSA-N 1 1 292.274 1.237 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1F ZINC001648159324 1169102294 /nfs/dbraw/zinc/10/22/94/1169102294.db2.gz ZTVDFUHLMQUYMN-SECBINFHSA-N 1 1 292.274 1.237 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001655057964 1171665036 /nfs/dbraw/zinc/66/50/36/1171665036.db2.gz XNGHIAXKVBZFQS-FRRDWIJNSA-N 1 1 294.355 1.193 10 5 CDBEMO C[C@@]12CSC[C@@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC001660512460 1172228506 /nfs/dbraw/zinc/22/85/06/1172228506.db2.gz HYVJBPNBRSLECY-CMPLNLGQSA-N 1 1 282.369 1.476 10 5 CDBEMO C[C@@H](CNc1nn(C)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000220065648 1177908800 /nfs/dbraw/zinc/90/88/00/1177908800.db2.gz KXAMUHCTVQWYMO-QMMMGPOBSA-N 1 1 253.306 1.223 10 5 CDBEMO O=C(OCC[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000127306645 698775934 /nfs/dbraw/zinc/77/59/34/698775934.db2.gz LTVRTFXMCWWKCT-UHFFFAOYSA-N 1 1 296.348 1.800 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000852667247 705023030 /nfs/dbraw/zinc/02/30/30/705023030.db2.gz ZBLIOAYPAOIUHQ-GZBFAFLISA-N 1 1 292.335 1.597 10 5 CDBEMO CCON(CC)C(=O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000858219335 848130736 /nfs/dbraw/zinc/13/07/36/848130736.db2.gz IJKPQUKUEOLSTC-UHFFFAOYSA-N 1 1 295.339 1.793 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207817 849004506 /nfs/dbraw/zinc/00/45/06/849004506.db2.gz QXBANLOWZIOGKY-MNOVXSKESA-N 1 1 262.313 1.520 10 5 CDBEMO C/C(=C/C(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784960610 849587092 /nfs/dbraw/zinc/58/70/92/849587092.db2.gz YVWCFXMIMCBOJR-QXMHVHEDSA-N 1 1 289.335 1.772 10 5 CDBEMO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000829576251 850038637 /nfs/dbraw/zinc/03/86/37/850038637.db2.gz CBXCOERSMZRBMR-JTQLQIEISA-N 1 1 283.303 1.237 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000829576251 850038650 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CDBEMO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC001558998546 965387510 /nfs/dbraw/zinc/38/75/10/965387510.db2.gz MLFFPBPLKLIRDG-SECBINFHSA-N 1 1 295.364 1.965 10 5 CDBEMO C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC001558998546 965387538 /nfs/dbraw/zinc/38/75/38/965387538.db2.gz MLFFPBPLKLIRDG-SECBINFHSA-N 1 1 295.364 1.965 10 5 CDBEMO O=C1OCC[C@@]12CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001460970229 969578971 /nfs/dbraw/zinc/57/89/71/969578971.db2.gz DTUAMPURZMJZHA-CQSZACIVSA-N 1 1 294.282 1.873 10 5 CDBEMO O=C1OCC[C@@]12CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001460970229 969578980 /nfs/dbraw/zinc/57/89/80/969578980.db2.gz DTUAMPURZMJZHA-CQSZACIVSA-N 1 1 294.282 1.873 10 5 CDBEMO O=[N+]([O-])c1ccsc1N1CC([NH+]2CCCC2)C1 ZINC000601193190 342488548 /nfs/dbraw/zinc/48/85/48/342488548.db2.gz AZWIMFDLSZFDHA-UHFFFAOYSA-N 1 1 253.327 1.941 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1NCC[N@@H+]1CCCOCC1 ZINC000601151403 342482645 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C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1(=O)=O ZINC000594976538 342992957 /nfs/dbraw/zinc/99/29/57/342992957.db2.gz PGJOOHUFUQYJBO-CMPLNLGQSA-N 1 1 298.364 1.650 10 5 CDBEMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596086497 343233180 /nfs/dbraw/zinc/23/31/80/343233180.db2.gz BTQGFVZFYUGMEZ-NSHDSACASA-N 1 1 292.339 1.590 10 5 CDBEMO C[N@@H+](CCNC(=O)c1[nH]ncc1[N+](=O)[O-])C1CCCCC1 ZINC000136134795 362244979 /nfs/dbraw/zinc/24/49/79/362244979.db2.gz ZCAVPTOGWBMWKO-UHFFFAOYSA-N 1 1 295.343 1.312 10 5 CDBEMO C[N@H+](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000136134795 362244985 /nfs/dbraw/zinc/24/49/85/362244985.db2.gz ZCAVPTOGWBMWKO-UHFFFAOYSA-N 1 1 295.343 1.312 10 5 CDBEMO C[N@@H+](CCNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000136134795 362244989 /nfs/dbraw/zinc/24/49/89/362244989.db2.gz ZCAVPTOGWBMWKO-UHFFFAOYSA-N 1 1 295.343 1.312 10 5 CDBEMO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000598684374 343865179 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COc1cccc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000577768702 356024945 /nfs/dbraw/zinc/02/49/45/356024945.db2.gz MCACEHRXYJIFDG-NSHDSACASA-N 1 1 293.323 1.124 10 5 CDBEMO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000193580368 358305650 /nfs/dbraw/zinc/30/56/50/358305650.db2.gz SXGDSWFGILBHPI-XVKPBYJWSA-N 1 1 269.326 1.271 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000567061814 358623524 /nfs/dbraw/zinc/62/35/24/358623524.db2.gz GWLPIPUYSJACHU-LLVKDONJSA-N 1 1 295.339 1.106 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000567061814 358623525 /nfs/dbraw/zinc/62/35/25/358623525.db2.gz GWLPIPUYSJACHU-LLVKDONJSA-N 1 1 295.339 1.106 10 5 CDBEMO Cn1cc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000174866203 364584868 /nfs/dbraw/zinc/58/48/68/364584868.db2.gz HSQNCJHVNHFOGR-LLVKDONJSA-N 1 1 290.327 1.014 10 5 CDBEMO Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000266046196 373785523 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C[N@H+]1CCC[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000044537576 175199847 /nfs/dbraw/zinc/19/98/47/175199847.db2.gz UJWOWSKVAXEJQU-SNVBAGLBSA-N 1 1 250.302 1.744 10 5 CDBEMO COCC[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000267509070 274026595 /nfs/dbraw/zinc/02/65/95/274026595.db2.gz PMVUNPHLDBYVRQ-UHFFFAOYSA-N 1 1 294.355 1.457 10 5 CDBEMO CCOC(=O)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153023667 289154286 /nfs/dbraw/zinc/15/42/86/289154286.db2.gz RZTQMJIHMPBKPB-UHFFFAOYSA-N 1 1 278.308 1.906 10 5 CDBEMO CCOC(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153023667 289154288 /nfs/dbraw/zinc/15/42/88/289154288.db2.gz RZTQMJIHMPBKPB-UHFFFAOYSA-N 1 1 278.308 1.906 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001625914473 1159767882 /nfs/dbraw/zinc/76/78/82/1159767882.db2.gz LIHYWJONJOBFFH-AWEZNQCLSA-N 1 1 291.351 1.690 10 5 CDBEMO CCCNC(=O)[C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049203557 519892528 /nfs/dbraw/zinc/89/25/28/519892528.db2.gz 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CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCNC1=O ZINC000440949368 375632114 /nfs/dbraw/zinc/63/21/14/375632114.db2.gz DWONWHARCYXAQP-LBPRGKRZSA-N 1 1 293.323 1.314 10 5 CDBEMO NC(=O)N[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355202650 375782277 /nfs/dbraw/zinc/78/22/77/375782277.db2.gz WLQXZZDDZNVWGZ-FHMRSRPSSA-N 1 1 290.323 1.351 10 5 CDBEMO NC(=O)N[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355202650 375782283 /nfs/dbraw/zinc/78/22/83/375782283.db2.gz WLQXZZDDZNVWGZ-FHMRSRPSSA-N 1 1 290.323 1.351 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195093214 375984799 /nfs/dbraw/zinc/98/47/99/375984799.db2.gz JZFXMQJILVTTMP-SNVBAGLBSA-N 1 1 279.296 1.498 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195093214 375984808 /nfs/dbraw/zinc/98/48/08/375984808.db2.gz JZFXMQJILVTTMP-SNVBAGLBSA-N 1 1 279.296 1.498 10 5 CDBEMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171584570 376834018 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527366548 /nfs/dbraw/zinc/36/65/48/527366548.db2.gz OBOIGWCMSANOIV-NSHDSACASA-N 1 1 299.352 1.479 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000747823016 574508831 /nfs/dbraw/zinc/50/88/31/574508831.db2.gz GRHQHRMFZXNSEJ-NWDGAFQWSA-N 1 1 280.328 1.497 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000747823016 574508832 /nfs/dbraw/zinc/50/88/32/574508832.db2.gz GRHQHRMFZXNSEJ-NWDGAFQWSA-N 1 1 280.328 1.497 10 5 CDBEMO Cc1cc(F)cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000758484242 577110771 /nfs/dbraw/zinc/11/07/71/577110771.db2.gz CMBMDMXUOCRWIM-NSHDSACASA-N 1 1 295.314 1.866 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000928430207 619006000 /nfs/dbraw/zinc/00/60/00/619006000.db2.gz FQOLCJNCDDOKBL-SKDRFNHKSA-N 1 1 295.314 1.485 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC[C@H]21 ZINC001635860540 1166629353 /nfs/dbraw/zinc/62/93/53/1166629353.db2.gz MBTNXPAWXAPICX-JOYOIKCWSA-N 1 1 278.312 1.089 10 5 CDBEMO CN(c1nn(C)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001651057515 1171283766 /nfs/dbraw/zinc/28/37/66/1171283766.db2.gz YUJZMMXSFARDEH-ZACCUICWSA-N 1 1 279.344 1.390 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001586616286 1172952164 /nfs/dbraw/zinc/95/21/64/1172952164.db2.gz GOIGTQXROCOXRT-VHSXEESVSA-N 1 1 295.343 1.120 10 5 CDBEMO O=[N+]([O-])c1cnccc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667595 1177231134 /nfs/dbraw/zinc/23/11/34/1177231134.db2.gz LYWNZQGMBPEIBH-WDEREUQCSA-N 1 1 278.312 1.265 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000231668129 1178173686 /nfs/dbraw/zinc/17/36/86/1178173686.db2.gz ZSSFLIIOUDSNDR-VIFPVBQESA-N 1 1 253.306 1.082 10 5 CDBEMO CC[N@@H+](CCNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CC1 ZINC000420580071 1186702555 /nfs/dbraw/zinc/70/25/55/1186702555.db2.gz DLHWNEMIRJHMFI-UHFFFAOYSA-N 1 1 292.339 1.590 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)c3F)CC[C@H]21 ZINC000866204604 712010010 /nfs/dbraw/zinc/01/00/10/712010010.db2.gz FACFCCKKDROQFO-NXEZZACHSA-N 1 1 294.330 1.847 10 5 CDBEMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000175242660 712132129 /nfs/dbraw/zinc/13/21/29/712132129.db2.gz YIZJCEQNISJYBV-JTQLQIEISA-N 1 1 295.314 1.821 10 5 CDBEMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839664813 712415213 /nfs/dbraw/zinc/41/52/13/712415213.db2.gz DGBRXIRCIXTUNC-DDHJBXDOSA-N 1 1 269.345 1.031 10 5 CDBEMO CC[N@@H+](CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)C(C)C ZINC000811798677 712473881 /nfs/dbraw/zinc/47/38/81/712473881.db2.gz LXOFSGQXLMGQKZ-UHFFFAOYSA-N 1 1 296.371 1.812 10 5 CDBEMO C[NH+](C)[C@@H]1[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]21 ZINC000931281369 712728837 /nfs/dbraw/zinc/72/88/37/712728837.db2.gz ROGDFVSCFCGRDL-IMRBUKKESA-N 1 1 277.324 1.292 10 5 CDBEMO C[C@]12C[NH2+]C[C@H]1CN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000872154708 1165387221 /nfs/dbraw/zinc/38/72/21/1165387221.db2.gz WUVYEPNZVAQDNA-SMDDNHRTSA-N 1 1 277.324 1.342 10 5 CDBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000690239675 913168606 /nfs/dbraw/zinc/16/86/06/913168606.db2.gz HTBFZGQEYSASIA-CQSZACIVSA-N 1 1 264.325 1.840 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001192391215 923068254 /nfs/dbraw/zinc/06/82/54/923068254.db2.gz QXRJTPCWFAOHPM-ZJUUUORDSA-N 1 1 286.282 1.687 10 5 CDBEMO O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000846220927 931995154 /nfs/dbraw/zinc/99/51/54/931995154.db2.gz ZDNHCHAZXUWRPU-UHFFFAOYSA-N 1 1 291.351 1.876 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCOc1cccc([N+](=O)[O-])c1 ZINC000931396400 933554031 /nfs/dbraw/zinc/55/40/31/933554031.db2.gz UTOYFHUFGOAKRB-OKILXGFUSA-N 1 1 291.351 1.752 10 5 CDBEMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c3nonc32)CC[N@H+]1C ZINC000719620813 934857627 /nfs/dbraw/zinc/85/76/27/934857627.db2.gz AMGJSZGIYVQHRB-SFYZADRCSA-N 1 1 277.284 1.636 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801882112 936012778 /nfs/dbraw/zinc/01/27/78/936012778.db2.gz XIVGBTMMZSDZAG-MRVPVSSYSA-N 1 1 296.302 1.140 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001264609272 944153152 /nfs/dbraw/zinc/15/31/52/944153152.db2.gz MCWZZHNRINFSGU-UHFFFAOYSA-N 1 1 274.280 1.416 10 5 CDBEMO CC(=O)c1c([N+](=O)[O-])cccc1N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001353016930 967638156 /nfs/dbraw/zinc/63/81/56/967638156.db2.gz JRLGDTATTYRFBY-RISCZKNCSA-N 1 1 289.335 1.938 10 5 CDBEMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588010630 342490507 /nfs/dbraw/zinc/49/05/07/342490507.db2.gz XPODZCRBUCQZNW-NXEZZACHSA-N 1 1 294.355 1.198 10 5 CDBEMO Cn1cncc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150063 342482452 /nfs/dbraw/zinc/48/24/52/342482452.db2.gz TYONGHFOYXZJSE-CQSZACIVSA-N 1 1 290.323 1.326 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000593020073 342758522 /nfs/dbraw/zinc/75/85/22/342758522.db2.gz ILDPQLLMSHXARF-SKDRFNHKSA-N 1 1 294.307 1.337 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000593020073 342758523 /nfs/dbraw/zinc/75/85/23/342758523.db2.gz ILDPQLLMSHXARF-SKDRFNHKSA-N 1 1 294.307 1.337 10 5 CDBEMO CC[N@@H+](C)C[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000593969054 342858430 /nfs/dbraw/zinc/85/84/30/342858430.db2.gz YPTWAZPUWIFMQB-CYBMUJFWSA-N 1 1 293.367 1.266 10 5 CDBEMO C[N@@H+](CCNc1ncc([N+](=O)[O-])c(N)n1)C1CCCCC1 ZINC000076269104 342320402 /nfs/dbraw/zinc/32/04/02/342320402.db2.gz ZEEILMITFBVGAY-UHFFFAOYSA-N 1 1 294.359 1.643 10 5 CDBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000595769188 343146420 /nfs/dbraw/zinc/14/64/20/343146420.db2.gz RZCZYHSGOHMRMQ-SWLSCSKDSA-N 1 1 292.335 1.820 10 5 CDBEMO O=C1CC[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595743862 343150327 /nfs/dbraw/zinc/15/03/27/343150327.db2.gz RQONRVOIDUBUJK-MNOVXSKESA-N 1 1 295.364 1.757 10 5 CDBEMO O=C1CC[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595743862 343150328 /nfs/dbraw/zinc/15/03/28/343150328.db2.gz RQONRVOIDUBUJK-MNOVXSKESA-N 1 1 295.364 1.757 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595754420 343153155 /nfs/dbraw/zinc/15/31/55/343153155.db2.gz BDDGACJQBXYDQH-NSHDSACASA-N 1 1 270.308 1.863 10 5 CDBEMO Cc1c(C[N@H+]2CCC(CO)(CO)C2)cccc1[N+](=O)[O-] ZINC000595798526 343157125 /nfs/dbraw/zinc/15/71/25/343157125.db2.gz FAJXSHKBMFFPDQ-UHFFFAOYSA-N 1 1 280.324 1.080 10 5 CDBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC2(COC2)C1 ZINC000595836236 343171669 /nfs/dbraw/zinc/17/16/69/343171669.db2.gz WAGOZBVBDUJCFC-UHFFFAOYSA-N 1 1 278.308 1.696 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000596337389 343297832 /nfs/dbraw/zinc/29/78/32/343297832.db2.gz WGPFAJLKCVAREW-SNVBAGLBSA-N 1 1 264.329 1.696 10 5 CDBEMO CC[NH2+]CC1=N[C@@H](c2ccc([N+](=O)[O-])cc2)N(CC)O1 ZINC000584613791 346500209 /nfs/dbraw/zinc/50/02/09/346500209.db2.gz IHNJEHNZJKIACU-CYBMUJFWSA-N 1 1 278.312 1.869 10 5 CDBEMO C[C@@](CO)([NH2+]Cc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC001659774239 1172135938 /nfs/dbraw/zinc/13/59/38/1172135938.db2.gz YEHGLHAJPTUUSL-ZDUSSCGKSA-N 1 1 276.296 1.315 10 5 CDBEMO CC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1C ZINC000188072174 357842424 /nfs/dbraw/zinc/84/24/24/357842424.db2.gz LYUOEJZERIXGLC-UHFFFAOYSA-N 1 1 251.286 1.210 10 5 CDBEMO CC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1C ZINC000188072174 357842426 /nfs/dbraw/zinc/84/24/26/357842426.db2.gz LYUOEJZERIXGLC-UHFFFAOYSA-N 1 1 251.286 1.210 10 5 CDBEMO CC1(C)[C@H](O)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000361401430 358174419 /nfs/dbraw/zinc/17/44/19/358174419.db2.gz BDBMMONSPVVNJW-CYBMUJFWSA-N 1 1 280.324 1.819 10 5 CDBEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000294720654 199151830 /nfs/dbraw/zinc/15/18/30/199151830.db2.gz CLOZDSPAXSTDKL-MFKMUULPSA-N 1 1 250.298 1.940 10 5 CDBEMO C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])s2)CC[N@H+]1C ZINC000192463894 358205675 /nfs/dbraw/zinc/20/56/75/358205675.db2.gz ZHNAWZRUCYSPRY-IUCAKERBSA-N 1 1 270.358 1.970 10 5 CDBEMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000514583558 360201955 /nfs/dbraw/zinc/20/19/55/360201955.db2.gz HFPAVZHGVVXZMY-GFCCVEGCSA-N 1 1 292.339 1.545 10 5 CDBEMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000179250233 189180489 /nfs/dbraw/zinc/18/04/89/189180489.db2.gz FKAOJOZDGMYERN-IUCAKERBSA-N 1 1 283.353 1.821 10 5 CDBEMO CC[C@@H](CO)[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302035269 201310857 /nfs/dbraw/zinc/31/08/57/201310857.db2.gz UJZJYPWYJOGAJP-JTQLQIEISA-N 1 1 285.369 1.549 10 5 CDBEMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCNC1=O ZINC000440949367 367178007 /nfs/dbraw/zinc/17/80/07/367178007.db2.gz DWONWHARCYXAQP-GFCCVEGCSA-N 1 1 293.323 1.314 10 5 CDBEMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCNC1=O ZINC000440949367 367178011 /nfs/dbraw/zinc/17/80/11/367178011.db2.gz DWONWHARCYXAQP-GFCCVEGCSA-N 1 1 293.323 1.314 10 5 CDBEMO C[C@H]1C[C@H](N(C)c2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000266213796 371114445 /nfs/dbraw/zinc/11/44/45/371114445.db2.gz GRDAOROOMRFKAK-VHSXEESVSA-N 1 1 267.333 1.247 10 5 CDBEMO COc1cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000352768974 375537201 /nfs/dbraw/zinc/53/72/01/375537201.db2.gz LEYRVMKUHNIMFR-SKDRFNHKSA-N 1 1 266.297 1.416 10 5 CDBEMO O=C(C[N@H+]1CC[C@@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000227570984 375568331 /nfs/dbraw/zinc/56/83/31/375568331.db2.gz XQZRBMOZDIPOEJ-NSHDSACASA-N 1 1 293.323 1.238 10 5 CDBEMO O=C(C[N@@H+]1CC[C@@H](CCO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000227570984 375568338 /nfs/dbraw/zinc/56/83/38/375568338.db2.gz XQZRBMOZDIPOEJ-NSHDSACASA-N 1 1 293.323 1.238 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000194664903 378435996 /nfs/dbraw/zinc/43/59/96/378435996.db2.gz HACRJECCTCIRGV-SNVBAGLBSA-N 1 1 295.314 1.948 10 5 CDBEMO C[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000174873693 379601948 /nfs/dbraw/zinc/60/19/48/379601948.db2.gz HCOFDJRUKPMOBE-RYUDHWBXSA-N 1 1 281.360 1.206 10 5 CDBEMO C[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000174873693 379601954 /nfs/dbraw/zinc/60/19/54/379601954.db2.gz HCOFDJRUKPMOBE-RYUDHWBXSA-N 1 1 281.360 1.206 10 5 CDBEMO C[C@H]1C[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000174873693 379601966 /nfs/dbraw/zinc/60/19/66/379601966.db2.gz HCOFDJRUKPMOBE-RYUDHWBXSA-N 1 1 281.360 1.206 10 5 CDBEMO CN(c1ncc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000413131669 413019101 /nfs/dbraw/zinc/01/91/01/413019101.db2.gz ABFUYZLPLGDOEG-JTQLQIEISA-N 1 1 280.303 1.802 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000103247576 390473871 /nfs/dbraw/zinc/47/38/71/390473871.db2.gz XCACIIZASNKUNH-UHFFFAOYSA-N 1 1 277.324 1.681 10 5 CDBEMO COCC[N@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000378032772 393090987 /nfs/dbraw/zinc/09/09/87/393090987.db2.gz LFTGIBBZKVQUQE-UHFFFAOYSA-N 1 1 280.328 1.148 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195320935 140153964 /nfs/dbraw/zinc/15/39/64/140153964.db2.gz LPNIUDDEDWBAES-LLVKDONJSA-N 1 1 290.323 1.218 10 5 CDBEMO CCn1cc[nH+]c1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000195516515 140157875 /nfs/dbraw/zinc/15/78/75/140157875.db2.gz JSTKZJBSUXFBFX-UHFFFAOYSA-N 1 1 299.290 1.569 10 5 CDBEMO CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347004178 153375380 /nfs/dbraw/zinc/37/53/80/153375380.db2.gz BIZIBWOGSMWCRH-JTQLQIEISA-N 1 1 279.296 1.497 10 5 CDBEMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001585423063 1172899513 /nfs/dbraw/zinc/89/95/13/1172899513.db2.gz QQDGSAKDXVWTTM-UHFFFAOYSA-N 1 1 291.311 1.673 10 5 CDBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1c([N+](=O)[O-])ncn1C ZINC000408360856 287231562 /nfs/dbraw/zinc/23/15/62/287231562.db2.gz ZWMOAPPYZQTMPL-MNOVXSKESA-N 1 1 279.344 1.391 10 5 CDBEMO CC[N@H+]1CCC[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000040503195 174300043 /nfs/dbraw/zinc/30/00/43/174300043.db2.gz GLWYGVWAIJNKEW-JTQLQIEISA-N 1 1 250.302 1.886 10 5 CDBEMO C[N@H+]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])o2)C1 ZINC000044533141 175197444 /nfs/dbraw/zinc/19/74/44/175197444.db2.gz SNNUADPBEKDSAO-JTQLQIEISA-N 1 1 253.302 1.619 10 5 CDBEMO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000081901518 278293137 /nfs/dbraw/zinc/29/31/37/278293137.db2.gz SZYBBKDZZHNWLD-UWVGGRQHSA-N 1 1 286.353 1.679 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000471705286 281014585 /nfs/dbraw/zinc/01/45/85/281014585.db2.gz JAQJNHZBVAEHHM-KBPBESRZSA-N 1 1 277.324 1.422 10 5 CDBEMO C[C@@H]1C[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000562302850 293130753 /nfs/dbraw/zinc/13/07/53/293130753.db2.gz ZSWLLLCZCRNMHZ-AOOOYVTPSA-N 1 1 251.286 1.239 10 5 CDBEMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000570675993 294286823 /nfs/dbraw/zinc/28/68/23/294286823.db2.gz YRKHSLXFCKRVFH-SNVBAGLBSA-N 1 1 285.250 1.274 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ncccc1[N+](=O)[O-] ZINC000113248298 300316991 /nfs/dbraw/zinc/31/69/91/300316991.db2.gz LXIBTTVWDJBNMP-WDEREUQCSA-N 1 1 262.313 1.663 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000050791812 522644317 /nfs/dbraw/zinc/64/43/17/522644317.db2.gz JMMFGBZLNBBJBW-LLVKDONJSA-N 1 1 279.340 1.841 10 5 CDBEMO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1N)[C@H](C)COC ZINC000050816923 523740658 /nfs/dbraw/zinc/74/06/58/523740658.db2.gz ZOOLGQJLQIGGMU-LLVKDONJSA-N 1 1 297.355 1.660 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@@H](C)Oc1cccc(C)c1[N+](=O)[O-] ZINC000068651374 523819630 /nfs/dbraw/zinc/81/96/30/523819630.db2.gz FESODJHBOQTHPZ-YGRLFVJLSA-N 1 1 296.323 1.951 10 5 CDBEMO COC(=O)[C@](C)([NH3+])CCOc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000050442027 524001394 /nfs/dbraw/zinc/00/13/94/524001394.db2.gz IYKUAQXNFHVVCX-CQSZACIVSA-N 1 1 296.323 1.871 10 5 CDBEMO COC(=O)[C@](C)([NH3+])C[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000068651516 524002635 /nfs/dbraw/zinc/00/26/35/524002635.db2.gz GJAVDQIMRGBMKD-TVQRCGJNSA-N 1 1 282.296 1.643 10 5 CDBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815293 524647100 /nfs/dbraw/zinc/64/71/00/524647100.db2.gz FAIDLXVCSOGION-KOLCDFICSA-N 1 1 292.339 1.263 10 5 CDBEMO Cc1sc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000049515998 526872419 /nfs/dbraw/zinc/87/24/19/526872419.db2.gz YUXCJXGAONMGPM-JTQLQIEISA-N 1 1 295.364 1.885 10 5 CDBEMO Nc1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000050792866 527482245 /nfs/dbraw/zinc/48/22/45/527482245.db2.gz SOOKHXVEFRYNLS-GFCCVEGCSA-N 1 1 279.340 1.914 10 5 CDBEMO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000761089838 576546400 /nfs/dbraw/zinc/54/64/00/576546400.db2.gz GUFVOCWPPQLRJD-SMDDNHRTSA-N 1 1 287.319 1.578 10 5 CDBEMO O=C(C[N@H+]1CC[C@H]2C[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000761089838 576546401 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Cc1nn(C)c(NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000302156847 201371730 /nfs/dbraw/zinc/37/17/30/201371730.db2.gz NWTOYKSIYBPTBG-UHFFFAOYSA-N 1 1 279.344 1.701 10 5 CDBEMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCCO ZINC000276375832 193306592 /nfs/dbraw/zinc/30/65/92/193306592.db2.gz KSUYKRQCFFSREC-NSHDSACASA-N 1 1 295.339 1.626 10 5 CDBEMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000543577977 373038519 /nfs/dbraw/zinc/03/85/19/373038519.db2.gz STAUEJGXXLRHSY-LLVKDONJSA-N 1 1 292.339 1.452 10 5 CDBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCNC(=O)CC1 ZINC000347351257 375801861 /nfs/dbraw/zinc/80/18/61/375801861.db2.gz DGOQUWCDHWINOU-FMIVXFBMSA-N 1 1 289.335 1.820 10 5 CDBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCNC(=O)CC1 ZINC000347351257 375801863 /nfs/dbraw/zinc/80/18/63/375801863.db2.gz DGOQUWCDHWINOU-FMIVXFBMSA-N 1 1 289.335 1.820 10 5 CDBEMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000357794643 375933684 /nfs/dbraw/zinc/93/36/84/375933684.db2.gz CQUNGUNBIHZWRD-LLVKDONJSA-N 1 1 266.345 1.944 10 5 CDBEMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000194687722 375949340 /nfs/dbraw/zinc/94/93/40/375949340.db2.gz SUTMVOUHDQBXAA-JTQLQIEISA-N 1 1 293.323 1.427 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000171643589 376889553 /nfs/dbraw/zinc/88/95/53/376889553.db2.gz VSSLIVWTBLSXHN-CQSZACIVSA-N 1 1 291.351 1.883 10 5 CDBEMO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046479173 378519026 /nfs/dbraw/zinc/51/90/26/378519026.db2.gz SCSDXDNZDPQUDG-SDDRHHMPSA-N 1 1 294.355 1.899 10 5 CDBEMO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046479173 378519031 /nfs/dbraw/zinc/51/90/31/378519031.db2.gz SCSDXDNZDPQUDG-SDDRHHMPSA-N 1 1 294.355 1.899 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449786292 251021907 /nfs/dbraw/zinc/02/19/07/251021907.db2.gz MPUFPMIDRZZPRA-LBPRGKRZSA-N 1 1 279.340 1.093 10 5 CDBEMO O=[N+]([O-])c1c(F)cccc1N1CCC[N@H+](CCO)CC1 ZINC000071349598 285075895 /nfs/dbraw/zinc/07/58/95/285075895.db2.gz XMCSAENVDOGBTP-UHFFFAOYSA-N 1 1 283.303 1.238 10 5 CDBEMO CC(C)[N@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000049281837 390680974 /nfs/dbraw/zinc/68/09/74/390680974.db2.gz RYOWEIXKFXPRTP-VIFPVBQESA-N 1 1 253.306 1.223 10 5 CDBEMO Cc1cnc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000285004838 390791756 /nfs/dbraw/zinc/79/17/56/390791756.db2.gz MCDHDICWWVVVLD-CHWSQXEVSA-N 1 1 292.339 1.208 10 5 CDBEMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCOC1 ZINC000291712368 391051570 /nfs/dbraw/zinc/05/15/70/391051570.db2.gz IQLARIZLIXBDEV-LLVKDONJSA-N 1 1 268.317 1.291 10 5 CDBEMO C[N@H+]1CCO[C@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000408464900 391647821 /nfs/dbraw/zinc/64/78/21/391647821.db2.gz GAWFBNXPDRARQF-NEPJUHHUSA-N 1 1 296.302 1.038 10 5 CDBEMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000301689441 392852300 /nfs/dbraw/zinc/85/23/00/392852300.db2.gz YCVZCAXAIKMGNX-CHWSQXEVSA-N 1 1 297.742 1.767 10 5 CDBEMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397309 393072696 /nfs/dbraw/zinc/07/26/96/393072696.db2.gz ABNWXRZLYFNVOV-SNVBAGLBSA-N 1 1 278.312 1.204 10 5 CDBEMO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302419653 393198795 /nfs/dbraw/zinc/19/87/95/393198795.db2.gz MTBYXDHDFMYXOT-NSHDSACASA-N 1 1 265.313 1.098 10 5 CDBEMO C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302419653 393198799 /nfs/dbraw/zinc/19/87/99/393198799.db2.gz MTBYXDHDFMYXOT-NSHDSACASA-N 1 1 265.313 1.098 10 5 CDBEMO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274641703 289191953 /nfs/dbraw/zinc/19/19/53/289191953.db2.gz AUVIQLBOHNDEHX-NSHDSACASA-N 1 1 293.323 1.467 10 5 CDBEMO CC[N@H+]1CCC[C@@H]1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176288254 148034066 /nfs/dbraw/zinc/03/40/66/148034066.db2.gz BTTHAIACPKQAIF-GFCCVEGCSA-N 1 1 281.360 1.207 10 5 CDBEMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000036793843 172713611 /nfs/dbraw/zinc/71/36/11/172713611.db2.gz IHQRNEDWOMRZRA-SECBINFHSA-N 1 1 251.286 1.161 10 5 CDBEMO CC[N@H+]1CCC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000040503268 174299751 /nfs/dbraw/zinc/29/97/51/174299751.db2.gz UOWYWVKFISERHE-SNVBAGLBSA-N 1 1 250.302 1.886 10 5 CDBEMO [NH3+]CCCc1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000072236604 176345788 /nfs/dbraw/zinc/34/57/88/176345788.db2.gz NJNPWLBDGWKBCA-UHFFFAOYSA-N 1 1 277.284 1.183 10 5 CDBEMO CC[N@H+]1CCCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000347316433 276155235 /nfs/dbraw/zinc/15/52/35/276155235.db2.gz PFPSEKAMIZGMNO-LLVKDONJSA-N 1 1 264.329 1.698 10 5 CDBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000225223877 280096827 /nfs/dbraw/zinc/09/68/27/280096827.db2.gz FZOOSJQNAAWGAK-MRVPVSSYSA-N 1 1 296.302 1.092 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000225223877 280096829 /nfs/dbraw/zinc/09/68/29/280096829.db2.gz FZOOSJQNAAWGAK-MRVPVSSYSA-N 1 1 296.302 1.092 10 5 CDBEMO O=[N+]([O-])c1c(N2CC[N@H+]3CCC[C@@H]3C2)nc2sccn21 ZINC000042098720 289050572 /nfs/dbraw/zinc/05/05/72/289050572.db2.gz DXWSBRVFERFYAS-SECBINFHSA-N 1 1 293.352 1.588 10 5 CDBEMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000575776825 317013440 /nfs/dbraw/zinc/01/34/40/317013440.db2.gz AQTSELZYLPJVAW-LLVKDONJSA-N 1 1 292.339 1.464 10 5 CDBEMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000575776825 317013444 /nfs/dbraw/zinc/01/34/44/317013444.db2.gz AQTSELZYLPJVAW-LLVKDONJSA-N 1 1 292.339 1.464 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1ccc([N+](=O)[O-])cc1OC ZINC000062595691 521257671 /nfs/dbraw/zinc/25/76/71/521257671.db2.gz XWQCOVOHKYZSFL-SNVBAGLBSA-N 1 1 298.295 1.263 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCSc1ccc([N+](=O)[O-])cc1 ZINC000062596676 523601391 /nfs/dbraw/zinc/60/13/91/523601391.db2.gz GNEBYTNFTKFWIU-JTQLQIEISA-N 1 1 270.310 1.577 10 5 CDBEMO Cc1sc(C(=O)NC23CC[NH+](CC2)C3)cc1[N+](=O)[O-] ZINC000913627375 630718303 /nfs/dbraw/zinc/71/83/03/630718303.db2.gz HXLRLEGFWJKWCW-UHFFFAOYSA-N 1 1 281.337 1.543 10 5 CDBEMO CO[C@](C)(CO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083269 1165379053 /nfs/dbraw/zinc/37/90/53/1165379053.db2.gz JXHWXKXMNFVAOJ-RNCFNFMXSA-N 1 1 286.303 1.782 10 5 CDBEMO Cn1cc(C[N@@H+]2CC[C@@H](c3cnccn3)C2)c([N+](=O)[O-])n1 ZINC001648443306 1169131571 /nfs/dbraw/zinc/13/15/71/1169131571.db2.gz QJBNRTZHDOBMOU-SNVBAGLBSA-N 1 1 288.311 1.108 10 5 CDBEMO Cn1cc(C[N@H+]2CC[C@@H](c3cnccn3)C2)c([N+](=O)[O-])n1 ZINC001648443306 1169131575 /nfs/dbraw/zinc/13/15/75/1169131575.db2.gz QJBNRTZHDOBMOU-SNVBAGLBSA-N 1 1 288.311 1.108 10 5 CDBEMO C[C@H]1C[C@H](Nc2nn(C)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001651638467 1171338908 /nfs/dbraw/zinc/33/89/08/1171338908.db2.gz GHAVVQAYKOOEKR-IUCAKERBSA-N 1 1 265.317 1.365 10 5 CDBEMO C[C@H]1Cc2n[nH]cc2C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001654790754 1171639096 /nfs/dbraw/zinc/63/90/96/1171639096.db2.gz HITWDYKUURAFQE-JTQLQIEISA-N 1 1 290.327 1.209 10 5 CDBEMO CC(=O)N(C)CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001700182246 1176786756 /nfs/dbraw/zinc/78/67/56/1176786756.db2.gz RVAFVLMJQFCKRV-UHFFFAOYSA-N 1 1 279.340 1.895 10 5 CDBEMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC[C@@H]2O)c(Cl)c1 ZINC000323147849 1186804336 /nfs/dbraw/zinc/80/43/36/1186804336.db2.gz DPNSNERFHLQPHJ-MNOVXSKESA-N 1 1 272.688 1.098 10 5 CDBEMO O=[N+]([O-])c1ccc2oc(C[NH2+][C@]34C[C@H]3COC4)nc2c1 ZINC001183855940 918718295 /nfs/dbraw/zinc/71/82/95/918718295.db2.gz ZATARQBWYPZBCK-SDBXPKJASA-N 1 1 275.264 1.615 10 5 CDBEMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001649395383 1169247242 /nfs/dbraw/zinc/24/72/42/1169247242.db2.gz OXOPNHAYCRSQMZ-NSHDSACASA-N 1 1 292.339 1.512 10 5 CDBEMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000782536429 937253483 /nfs/dbraw/zinc/25/34/83/937253483.db2.gz PLEANJLGYHYFSN-AWEZNQCLSA-N 1 1 292.335 1.741 10 5 CDBEMO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000687599099 934342044 /nfs/dbraw/zinc/34/20/44/934342044.db2.gz VWKHQMQRONBIQX-GFCCVEGCSA-N 1 1 299.758 1.357 10 5 CDBEMO C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000687599099 934342052 /nfs/dbraw/zinc/34/20/52/934342052.db2.gz VWKHQMQRONBIQX-GFCCVEGCSA-N 1 1 299.758 1.357 10 5 CDBEMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2C)n1 ZINC001539397815 967095748 /nfs/dbraw/zinc/09/57/48/967095748.db2.gz XBPHGMUVLSPPCW-JTQLQIEISA-N 1 1 295.343 1.025 10 5 CDBEMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001529006809 968964924 /nfs/dbraw/zinc/96/49/24/968964924.db2.gz LKIKCXSQHMOBNB-RAIGVLPGSA-N 1 1 281.356 1.127 10 5 CDBEMO C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001529006809 968964934 /nfs/dbraw/zinc/96/49/34/968964934.db2.gz LKIKCXSQHMOBNB-RAIGVLPGSA-N 1 1 281.356 1.127 10 5 CDBEMO C[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC[N@H+]1C1CCCC1 ZINC001529006809 968964940 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/nfs/dbraw/zinc/27/78/31/270277831.db2.gz PCPROYIPHWWCLS-UHFFFAOYSA-N 1 1 289.291 1.885 10 5 CDBEMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000155408238 278706758 /nfs/dbraw/zinc/70/67/58/278706758.db2.gz HUNDEZCJLSFUDH-GHMZBOCLSA-N 1 1 277.324 1.759 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000285217794 281013723 /nfs/dbraw/zinc/01/37/23/281013723.db2.gz XLIPMFREMHUKQD-GJZGRUSLSA-N 1 1 291.351 1.813 10 5 CDBEMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000552986338 290088703 /nfs/dbraw/zinc/08/87/03/290088703.db2.gz YEMMDBUCMZMYHK-SNVBAGLBSA-N 1 1 278.312 1.156 10 5 CDBEMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000552986338 290088704 /nfs/dbraw/zinc/08/87/04/290088704.db2.gz YEMMDBUCMZMYHK-SNVBAGLBSA-N 1 1 278.312 1.156 10 5 CDBEMO CC(C)(C)CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268541626 1159966465 /nfs/dbraw/zinc/96/64/65/1159966465.db2.gz LFFHKOXFMFDLAB-DIABFLQPSA-N 1 1 297.399 1.740 10 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/nfs/dbraw/zinc/11/94/55/619119455.db2.gz OQUDMRRDYRRILL-MFKMUULPSA-N 1 1 277.324 1.346 10 5 CDBEMO C[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000903498255 626008712 /nfs/dbraw/zinc/00/87/12/626008712.db2.gz AFHPYJJGGCZJMY-GHMZBOCLSA-N 1 1 279.340 1.717 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000915089851 631648250 /nfs/dbraw/zinc/64/82/50/631648250.db2.gz MOHHYBLBFIFPAJ-ZWNOBZJWSA-N 1 1 292.339 1.487 10 5 CDBEMO Cn1cc(C[N@@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)c([N+](=O)[O-])n1 ZINC000879131587 677745255 /nfs/dbraw/zinc/74/52/55/677745255.db2.gz BLAYYAQZPKZRBZ-TUAOUCFPSA-N 1 1 294.355 1.310 10 5 CDBEMO Cn1cc(C[N@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)c([N+](=O)[O-])n1 ZINC000879131587 677745256 /nfs/dbraw/zinc/74/52/56/677745256.db2.gz BLAYYAQZPKZRBZ-TUAOUCFPSA-N 1 1 294.355 1.310 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)nc1 ZINC000720459694 678191959 /nfs/dbraw/zinc/19/19/59/678191959.db2.gz CRJODRLBKSMYBQ-NWDGAFQWSA-N 1 1 294.380 1.982 10 5 CDBEMO C[S@](=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000798196311 678326473 /nfs/dbraw/zinc/32/64/73/678326473.db2.gz MYOPBGRBMPVFPX-IBGZPJMESA-N 1 1 282.365 1.938 10 5 CDBEMO C[S@](=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000798196311 678326476 /nfs/dbraw/zinc/32/64/76/678326476.db2.gz MYOPBGRBMPVFPX-IBGZPJMESA-N 1 1 282.365 1.938 10 5 CDBEMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931551258 678373742 /nfs/dbraw/zinc/37/37/42/678373742.db2.gz UKLBUICDYDYSPT-SNVBAGLBSA-N 1 1 258.318 1.317 10 5 CDBEMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1 ZINC000931551258 678373745 /nfs/dbraw/zinc/37/37/45/678373745.db2.gz UKLBUICDYDYSPT-SNVBAGLBSA-N 1 1 258.318 1.317 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000712613544 678494534 /nfs/dbraw/zinc/49/45/34/678494534.db2.gz IMNMPSQEFPIGIW-JTQLQIEISA-N 1 1 250.302 1.804 10 5 CDBEMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000842046659 678543266 /nfs/dbraw/zinc/54/32/66/678543266.db2.gz FWOFZCCTQOGDGL-GHMZBOCLSA-N 1 1 297.330 1.625 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])cc1F ZINC000842046659 678543290 /nfs/dbraw/zinc/54/32/90/678543290.db2.gz FWOFZCCTQOGDGL-GHMZBOCLSA-N 1 1 297.330 1.625 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cn1 ZINC000720464877 678650880 /nfs/dbraw/zinc/65/08/80/678650880.db2.gz SHUNPCMNAIGQNW-RYUDHWBXSA-N 1 1 294.380 1.982 10 5 CDBEMO C[N@@H+]1C[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933734512 678863273 /nfs/dbraw/zinc/86/32/73/678863273.db2.gz UWXSEBBHYUJRHG-DOMZBBRYSA-N 1 1 291.351 1.684 10 5 CDBEMO C[N@H+]1C[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933734512 678863274 /nfs/dbraw/zinc/86/32/74/678863274.db2.gz UWXSEBBHYUJRHG-DOMZBBRYSA-N 1 1 291.351 1.684 10 5 CDBEMO Cc1ccc(O[C@H]2CC[N@H+](CC[N+](=O)[O-])C2)nc1 ZINC000931270186 679052244 /nfs/dbraw/zinc/05/22/44/679052244.db2.gz SXXVFNYJZULVOY-NSHDSACASA-N 1 1 251.286 1.120 10 5 CDBEMO Cc1ccc(O[C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)nc1 ZINC000931270186 679052247 /nfs/dbraw/zinc/05/22/47/679052247.db2.gz SXXVFNYJZULVOY-NSHDSACASA-N 1 1 251.286 1.120 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000852667250 679119438 /nfs/dbraw/zinc/11/94/38/679119438.db2.gz ZBLIOAYPAOIUHQ-VNHYZAJKSA-N 1 1 292.335 1.597 10 5 CDBEMO C[C@@H]1CC[C@H](CO)[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000880441881 679156566 /nfs/dbraw/zinc/15/65/66/679156566.db2.gz KLVSHTQZMDHGIZ-HONMWMINSA-N 1 1 280.324 1.473 10 5 CDBEMO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccccc1[N+](=O)[O-] ZINC000089751490 679509830 /nfs/dbraw/zinc/50/98/30/679509830.db2.gz KRKQZTQMHZFMFC-WPRPVWTQSA-N 1 1 277.280 1.051 10 5 CDBEMO Cc1[nH]c(CNc2nccc(C(N)=O)c2[N+](=O)[O-])c(C)[nH+]1 ZINC001652248382 1171410798 /nfs/dbraw/zinc/41/07/98/1171410798.db2.gz BCDVRRCHINGGGQ-UHFFFAOYSA-N 1 1 290.283 1.041 10 5 CDBEMO CCC[N@@H+](CC)C[C@H](C)Nc1nn(C)cc1[N+](=O)[O-] ZINC001655540242 1171702181 /nfs/dbraw/zinc/70/21/81/1171702181.db2.gz UVBMFXVCLXKIJA-JTQLQIEISA-N 1 1 269.349 1.861 10 5 CDBEMO CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001673164199 1173831903 /nfs/dbraw/zinc/83/19/03/1173831903.db2.gz MCGMXZQUKJSGAB-CHWSQXEVSA-N 1 1 297.399 1.716 10 5 CDBEMO O=[N+]([O-])CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC001340993172 963228087 /nfs/dbraw/zinc/22/80/87/963228087.db2.gz YJUKPTHTKXXKTJ-SNVBAGLBSA-N 1 1 289.129 1.349 10 5 CDBEMO Cc1c(CN2CC[N@@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000687594963 902241614 /nfs/dbraw/zinc/24/16/14/902241614.db2.gz QJHBPEWZGJGGSF-CYBMUJFWSA-N 1 1 279.340 1.012 10 5 CDBEMO Cc1c(CN2CC[N@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000687594963 902241619 /nfs/dbraw/zinc/24/16/19/902241619.db2.gz QJHBPEWZGJGGSF-CYBMUJFWSA-N 1 1 279.340 1.012 10 5 CDBEMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126675451 907689715 /nfs/dbraw/zinc/68/97/15/907689715.db2.gz HRMLQVIIHJULIH-YNEHKIRRSA-N 1 1 281.356 1.032 10 5 CDBEMO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001126675451 907689721 /nfs/dbraw/zinc/68/97/21/907689721.db2.gz HRMLQVIIHJULIH-YNEHKIRRSA-N 1 1 281.356 1.032 10 5 CDBEMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001126675451 907689734 /nfs/dbraw/zinc/68/97/34/907689734.db2.gz HRMLQVIIHJULIH-YNEHKIRRSA-N 1 1 281.356 1.032 10 5 CDBEMO O=C1OCC[C@]12CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001198808208 925539904 /nfs/dbraw/zinc/53/99/04/925539904.db2.gz AIFXVILEUQCMBX-LBPRGKRZSA-N 1 1 282.321 1.795 10 5 CDBEMO O=C1OCC[C@]12CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001198808208 925539914 /nfs/dbraw/zinc/53/99/14/925539914.db2.gz AIFXVILEUQCMBX-LBPRGKRZSA-N 1 1 282.321 1.795 10 5 CDBEMO Cc1nn(Cc2ccc[nH+]c2N)c2ncc([N+](=O)[O-])cc12 ZINC001165746422 939576257 /nfs/dbraw/zinc/57/62/57/939576257.db2.gz RZQABDRCYKFORR-UHFFFAOYSA-N 1 1 284.279 1.673 10 5 CDBEMO Cc1[nH]c(Cn2cc([N+](=O)[O-])c(=O)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001165781446 939577135 /nfs/dbraw/zinc/57/71/35/939577135.db2.gz DUYAAIAWRKDFSV-UHFFFAOYSA-N 1 1 293.239 1.053 10 5 CDBEMO CC[N@@H+]1CC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001297273857 954994831 /nfs/dbraw/zinc/99/48/31/954994831.db2.gz PHWYJLCZNOORMI-ZDUSSCGKSA-N 1 1 277.324 1.348 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001297273857 954994835 /nfs/dbraw/zinc/99/48/35/954994835.db2.gz PHWYJLCZNOORMI-ZDUSSCGKSA-N 1 1 277.324 1.348 10 5 CDBEMO Cn1cc(C[N@@H+]2CCCC[C@@]23CCOC3)c([N+](=O)[O-])n1 ZINC001460959134 969573340 /nfs/dbraw/zinc/57/33/40/969573340.db2.gz KSYCZZCCGNLIOR-ZDUSSCGKSA-N 1 1 280.328 1.473 10 5 CDBEMO Cn1cc(C[N@H+]2CCCC[C@@]23CCOC3)c([N+](=O)[O-])n1 ZINC001460959134 969573344 /nfs/dbraw/zinc/57/33/44/969573344.db2.gz KSYCZZCCGNLIOR-ZDUSSCGKSA-N 1 1 280.328 1.473 10 5 CDBEMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(C)(C)O ZINC001473125376 970757084 /nfs/dbraw/zinc/75/70/84/970757084.db2.gz RWOSVAGVDPYKKF-CQSZACIVSA-N 1 1 296.367 1.937 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)n1 ZINC000601184368 342489197 /nfs/dbraw/zinc/48/91/97/342489197.db2.gz LDNUBLJMQZLSDP-OLZOCXBDSA-N 1 1 290.367 1.995 10 5 CDBEMO CN(CC[N@@H+](C)C1CC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588020271 342491253 /nfs/dbraw/zinc/49/12/53/342491253.db2.gz IHDXWIARWKLZPK-UHFFFAOYSA-N 1 1 294.355 1.200 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000600177660 341983442 /nfs/dbraw/zinc/98/34/42/341983442.db2.gz AOIXMGMOEHXAON-CQSZACIVSA-N 1 1 280.324 1.486 10 5 CDBEMO CC(C)[N@@H+](C)C[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589601339 342509464 /nfs/dbraw/zinc/50/94/64/342509464.db2.gz PTOCMKCRDUYSRP-JTQLQIEISA-N 1 1 296.371 1.810 10 5 CDBEMO Cc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc([N+](=O)[O-])c1 ZINC000590044713 342520769 /nfs/dbraw/zinc/52/07/69/342520769.db2.gz MGZNSCMUHYWWCN-BXUZGUMPSA-N 1 1 289.335 1.679 10 5 CDBEMO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000095620316 185016676 /nfs/dbraw/zinc/01/66/76/185016676.db2.gz CERXIPUCZJSXKI-UWVGGRQHSA-N 1 1 284.337 1.433 10 5 CDBEMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000234333382 342043997 /nfs/dbraw/zinc/04/39/97/342043997.db2.gz VZGMPDDWVBGDLD-JTQLQIEISA-N 1 1 293.323 1.372 10 5 CDBEMO [NH3+]C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593724977 342829188 /nfs/dbraw/zinc/82/91/88/342829188.db2.gz DCLKNJDUEUJZMM-VIFPVBQESA-N 1 1 251.286 1.081 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000048752491 342262895 /nfs/dbraw/zinc/26/28/95/342262895.db2.gz XVTVGZCDFLRPOR-JTQLQIEISA-N 1 1 278.312 1.122 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252672 349660041 /nfs/dbraw/zinc/66/00/41/349660041.db2.gz MRMHMOCVLAEMCK-UWVGGRQHSA-N 1 1 297.286 1.446 10 5 CDBEMO Cc1noc(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595447493 343053940 /nfs/dbraw/zinc/05/39/40/343053940.db2.gz GCRKKVHKOGDMRX-NOZJJQNGSA-N 1 1 283.328 1.874 10 5 CDBEMO Cc1noc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595447493 343053941 /nfs/dbraw/zinc/05/39/41/343053941.db2.gz GCRKKVHKOGDMRX-NOZJJQNGSA-N 1 1 283.328 1.874 10 5 CDBEMO CC(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596095157 343235157 /nfs/dbraw/zinc/23/51/57/343235157.db2.gz ZWHDBKFCPKDFPI-NSHDSACASA-N 1 1 292.339 1.588 10 5 CDBEMO O=[N+]([O-])c1ccccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537394 343345606 /nfs/dbraw/zinc/34/56/06/343345606.db2.gz FEIWHPDCOUMALT-CYBMUJFWSA-N 1 1 291.351 1.630 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@@H+](C)C1 ZINC000597945066 343675260 /nfs/dbraw/zinc/67/52/60/343675260.db2.gz HMMFJFBOCHTOLS-JTQLQIEISA-N 1 1 280.328 1.100 10 5 CDBEMO CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597946361 343675945 /nfs/dbraw/zinc/67/59/45/343675945.db2.gz PGTYQOUNNKHGKW-AWEZNQCLSA-N 1 1 291.351 1.690 10 5 CDBEMO Cc1nc(NC2CC([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000599094784 343953664 /nfs/dbraw/zinc/95/36/64/343953664.db2.gz NGCFJNXIMDGZMX-UHFFFAOYSA-N 1 1 292.339 1.573 10 5 CDBEMO Cc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000159565970 362342192 /nfs/dbraw/zinc/34/21/92/362342192.db2.gz ZRBOZOZPGMOQOP-WCQYABFASA-N 1 1 291.351 1.989 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000602932111 344662469 /nfs/dbraw/zinc/66/24/69/344662469.db2.gz XBZUJJXXNNLMCX-ZWNOBZJWSA-N 1 1 280.324 1.949 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000602932111 344662471 /nfs/dbraw/zinc/66/24/71/344662471.db2.gz XBZUJJXXNNLMCX-ZWNOBZJWSA-N 1 1 280.324 1.949 10 5 CDBEMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC=CCC1 ZINC000344061210 362541303 /nfs/dbraw/zinc/54/13/03/362541303.db2.gz MLFAAAODIRPOCQ-GXTWGEPZSA-N 1 1 294.355 1.440 10 5 CDBEMO CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000344419366 362765633 /nfs/dbraw/zinc/76/56/33/362765633.db2.gz MWHJEVYDSLJBNE-LBPRGKRZSA-N 1 1 262.313 1.663 10 5 CDBEMO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCN(C)CC1 ZINC000344427205 362775849 /nfs/dbraw/zinc/77/58/49/362775849.db2.gz ZXAOMWVKCOJRJR-NSHDSACASA-N 1 1 279.344 1.038 10 5 CDBEMO O=[N+]([O-])c1sccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000612451065 347176542 /nfs/dbraw/zinc/17/65/42/347176542.db2.gz ASVRGOFGPPUAPJ-SECBINFHSA-N 1 1 269.326 1.177 10 5 CDBEMO O=[N+]([O-])c1sccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000612451065 347176543 /nfs/dbraw/zinc/17/65/43/347176543.db2.gz ASVRGOFGPPUAPJ-SECBINFHSA-N 1 1 269.326 1.177 10 5 CDBEMO O=C1OC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]12 ZINC001659671114 1172130780 /nfs/dbraw/zinc/13/07/80/1172130780.db2.gz IEVSQUOWDJWACR-UWVGGRQHSA-N 1 1 280.255 1.339 10 5 CDBEMO O=C1OC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]12 ZINC001659671114 1172130786 /nfs/dbraw/zinc/13/07/86/1172130786.db2.gz IEVSQUOWDJWACR-UWVGGRQHSA-N 1 1 280.255 1.339 10 5 CDBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000155823740 188229383 /nfs/dbraw/zinc/22/93/83/188229383.db2.gz KIYHMXWVJWABMC-ZJUUUORDSA-N 1 1 281.312 1.646 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000183227840 189350991 /nfs/dbraw/zinc/35/09/91/189350991.db2.gz FXGNXQOUHBXZNP-ZDUSSCGKSA-N 1 1 250.298 1.860 10 5 CDBEMO Cn1nccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000070143887 361634866 /nfs/dbraw/zinc/63/48/66/361634866.db2.gz HCUYRGMPSQPMML-UHFFFAOYSA-N 1 1 252.299 1.680 10 5 CDBEMO C[C@@H]1CC[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174882343 364588148 /nfs/dbraw/zinc/58/81/48/364588148.db2.gz ZXHUAWLAMYCKAF-GHMZBOCLSA-N 1 1 252.318 1.912 10 5 CDBEMO C[C@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000090794999 368132633 /nfs/dbraw/zinc/13/26/33/368132633.db2.gz QVUNENJEOUXDRW-VHSXEESVSA-N 1 1 250.302 1.884 10 5 CDBEMO C[N@@H+](Cc1cnccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269624435 373199638 /nfs/dbraw/zinc/19/96/38/373199638.db2.gz CHGKBEFKLVAEGE-CQSZACIVSA-N 1 1 288.307 1.550 10 5 CDBEMO C[N@H+](Cc1cnccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269624435 373199642 /nfs/dbraw/zinc/19/96/42/373199642.db2.gz CHGKBEFKLVAEGE-CQSZACIVSA-N 1 1 288.307 1.550 10 5 CDBEMO CC(C)[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298459094 373627144 /nfs/dbraw/zinc/62/71/44/373627144.db2.gz LBLGDWFBVMYHRL-UHFFFAOYSA-N 1 1 295.343 1.231 10 5 CDBEMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](CC)C(C)C)n1 ZINC000427836886 247199126 /nfs/dbraw/zinc/19/91/26/247199126.db2.gz DLFXOSFKHMIVTJ-UHFFFAOYSA-N 1 1 297.359 1.271 10 5 CDBEMO O=[N+]([O-])c1cnc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000413308341 285181551 /nfs/dbraw/zinc/18/15/51/285181551.db2.gz JKWJCVRFHOSHJE-SSDOTTSWSA-N 1 1 277.259 1.821 10 5 CDBEMO O=[N+]([O-])c1cnc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c(F)c1 ZINC000413308341 285181554 /nfs/dbraw/zinc/18/15/54/285181554.db2.gz JKWJCVRFHOSHJE-SSDOTTSWSA-N 1 1 277.259 1.821 10 5 CDBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000246898828 390189312 /nfs/dbraw/zinc/18/93/12/390189312.db2.gz HHWJOKZRLIJOBR-MNOVXSKESA-N 1 1 293.323 1.887 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(N)=O)C(C)C ZINC000183236352 391169947 /nfs/dbraw/zinc/16/99/47/391169947.db2.gz PKVXGIBFWVVWGX-UHFFFAOYSA-N 1 1 265.313 1.599 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC(N)=O)C(C)C ZINC000183236352 391169948 /nfs/dbraw/zinc/16/99/48/391169948.db2.gz PKVXGIBFWVVWGX-UHFFFAOYSA-N 1 1 265.313 1.599 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000418110094 391538525 /nfs/dbraw/zinc/53/85/25/391538525.db2.gz IZXHAPGOXYUETL-QWRGUYRKSA-N 1 1 299.396 1.543 10 5 CDBEMO C[N@H+]1CCO[C@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000408464904 391648181 /nfs/dbraw/zinc/64/81/81/391648181.db2.gz GAWFBNXPDRARQF-RYUDHWBXSA-N 1 1 296.302 1.038 10 5 CDBEMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000399324911 391784779 /nfs/dbraw/zinc/78/47/79/391784779.db2.gz WRFXMIPMXDWLOU-PWSUYJOCSA-N 1 1 250.298 1.940 10 5 CDBEMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000548753942 392508565 /nfs/dbraw/zinc/50/85/65/392508565.db2.gz PGKYJWNEBNHFQP-RKDXNWHRSA-N 1 1 263.297 1.676 10 5 CDBEMO Cc1ccc(N2CC[NH+]([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000301837955 392944660 /nfs/dbraw/zinc/94/46/60/392944660.db2.gz YPIRNRBBVPRXCX-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO C[C@H](O)C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282017988 393167159 /nfs/dbraw/zinc/16/71/59/393167159.db2.gz KBVCNFOGSFRZCY-QWRGUYRKSA-N 1 1 299.396 1.543 10 5 CDBEMO Cc1cc([N+](=O)[O-])cn(Cc2cn3ccccc3[nH+]2)c1=O ZINC000178227317 140001871 /nfs/dbraw/zinc/00/18/71/140001871.db2.gz FWWUYXOXZXBNJS-UHFFFAOYSA-N 1 1 284.275 1.761 10 5 CDBEMO C[N@@H+](CCCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000349923562 154273804 /nfs/dbraw/zinc/27/38/04/154273804.db2.gz XHUPKVJDXITPGB-UHFFFAOYSA-N 1 1 268.313 1.678 10 5 CDBEMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC1CC1 ZINC000135707200 287052028 /nfs/dbraw/zinc/05/20/28/287052028.db2.gz JWGODKUVDZRJPB-VHSXEESVSA-N 1 1 277.324 1.913 10 5 CDBEMO CC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000040503122 174300094 /nfs/dbraw/zinc/30/00/94/174300094.db2.gz GHZUUUXRNMKXEM-SECBINFHSA-N 1 1 251.290 1.281 10 5 CDBEMO Cc1cc(NS(=O)(=O)C[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000043570294 175068106 /nfs/dbraw/zinc/06/81/06/175068106.db2.gz JONGIUCLDKSQQH-NSHDSACASA-N 1 1 299.352 1.397 10 5 CDBEMO CN(Cc1ccc(NN)c([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071191164 176069615 /nfs/dbraw/zinc/06/96/15/176069615.db2.gz SLPWCUQARCLMTI-LBPRGKRZSA-N 1 1 293.371 1.264 10 5 CDBEMO O=[N+]([O-])c1cc(F)c(N2CC[N@@H+]3CCOC[C@@H]3C2)c(F)c1 ZINC000371804259 275033824 /nfs/dbraw/zinc/03/38/24/275033824.db2.gz VUJZLCZXDQBWCL-JTQLQIEISA-N 1 1 299.277 1.394 10 5 CDBEMO O=[N+]([O-])c1cc(F)c(N2CC[N@H+]3CCOC[C@@H]3C2)c(F)c1 ZINC000371804259 275033825 /nfs/dbraw/zinc/03/38/25/275033825.db2.gz VUJZLCZXDQBWCL-JTQLQIEISA-N 1 1 299.277 1.394 10 5 CDBEMO COc1cccc(N2CCC[N@@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000135063340 278015708 /nfs/dbraw/zinc/01/57/08/278015708.db2.gz HKFTUELEQDBNGT-UHFFFAOYSA-N 1 1 295.339 1.108 10 5 CDBEMO CC1(C)C[NH+](CC(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000565191303 293551953 /nfs/dbraw/zinc/55/19/53/293551953.db2.gz VFGWTEYLXTXFGE-UHFFFAOYSA-N 1 1 291.351 1.595 10 5 CDBEMO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C(C)(C)C1 ZINC000408308542 297029269 /nfs/dbraw/zinc/02/92/69/297029269.db2.gz JYKAJZRQRJQRHY-VIFPVBQESA-N 1 1 252.318 1.949 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000062542210 521258205 /nfs/dbraw/zinc/25/82/05/521258205.db2.gz RSBXWMOUZAOSDE-SNVBAGLBSA-N 1 1 286.259 1.393 10 5 CDBEMO CCNc1ccc(C[N@@H+](CC)CCO)cc1[N+](=O)[O-] ZINC000050814549 520298238 /nfs/dbraw/zinc/29/82/38/520298238.db2.gz VBCSXRNLQVSENH-UHFFFAOYSA-N 1 1 267.329 1.841 10 5 CDBEMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157333668 521648283 /nfs/dbraw/zinc/64/82/83/521648283.db2.gz IMBRDHVKZUJXSO-JTQLQIEISA-N 1 1 292.339 1.391 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1cc([N+](=O)[O-])ccc1C ZINC000062540656 523912237 /nfs/dbraw/zinc/91/22/37/523912237.db2.gz BFMSGVDFNLETEM-SNVBAGLBSA-N 1 1 268.269 1.172 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](C)C1 ZINC000052812564 525577761 /nfs/dbraw/zinc/57/77/61/525577761.db2.gz YIYVGAXNICMNFD-SNVBAGLBSA-N 1 1 250.302 1.804 10 5 CDBEMO COc1cc(F)c([N+](=O)[O-])c(NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762816710 576676310 /nfs/dbraw/zinc/67/63/10/576676310.db2.gz UEFSZUBNPPQXJA-CYBMUJFWSA-N 1 1 299.302 1.221 10 5 CDBEMO Cc1c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000928432694 619044372 /nfs/dbraw/zinc/04/43/72/619044372.db2.gz GFDOBYIAGTWWEY-WCQYABFASA-N 1 1 291.351 1.655 10 5 CDBEMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928453786 619119170 /nfs/dbraw/zinc/11/91/70/619119170.db2.gz LHOPXZGAPDWVOA-CMPLNLGQSA-N 1 1 277.324 1.726 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928459456 619124493 /nfs/dbraw/zinc/12/44/93/619124493.db2.gz WIIUCWPQNPPWGE-VXNVDRBHSA-N 1 1 269.326 1.479 10 5 CDBEMO C/C(=C\C(=O)NC[C@H]1CC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928559649 619380124 /nfs/dbraw/zinc/38/01/24/619380124.db2.gz LQDQVVCYVVUFFU-CFRMROPGSA-N 1 1 289.335 1.818 10 5 CDBEMO Cc1nn(C)c(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000896914408 620304947 /nfs/dbraw/zinc/30/49/47/620304947.db2.gz FBTNVDDSENZOGT-MFKMUULPSA-N 1 1 279.344 1.025 10 5 CDBEMO CC[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000712613471 683935952 /nfs/dbraw/zinc/93/59/52/683935952.db2.gz HCWKPKJLMRFYIW-SNVBAGLBSA-N 1 1 250.302 1.804 10 5 CDBEMO C[C@@H]([NH2+]CCC(=O)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030207 684093260 /nfs/dbraw/zinc/09/32/60/684093260.db2.gz AYZFCDOJQDWTEH-SECBINFHSA-N 1 1 283.303 1.863 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000719626190 679730879 /nfs/dbraw/zinc/73/08/79/679730879.db2.gz RJAJRSDVYIATMF-ONGXEEELSA-N 1 1 250.302 1.803 10 5 CDBEMO C[C@@H]1CC[C@H](CO)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000880444230 679834773 /nfs/dbraw/zinc/83/47/73/679834773.db2.gz RKOTZUSBTKUFRP-MWLCHTKSSA-N 1 1 266.297 1.646 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000866206005 679870342 /nfs/dbraw/zinc/87/03/42/679870342.db2.gz HZJMQAPAYXMSDR-CMPLNLGQSA-N 1 1 262.313 1.520 10 5 CDBEMO Cc1nn(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000799158470 681806150 /nfs/dbraw/zinc/80/61/50/681806150.db2.gz MGXFYINMHQPQJM-LBPRGKRZSA-N 1 1 287.323 1.942 10 5 CDBEMO Cc1nn(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000799158470 681806151 /nfs/dbraw/zinc/80/61/51/681806151.db2.gz MGXFYINMHQPQJM-LBPRGKRZSA-N 1 1 287.323 1.942 10 5 CDBEMO CC(C)[C@](C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(N)=O ZINC000289356403 682057735 /nfs/dbraw/zinc/05/77/35/682057735.db2.gz NQKMFIZMNYUIOQ-ZDUSSCGKSA-N 1 1 283.303 1.724 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000812343066 682272037 /nfs/dbraw/zinc/27/20/37/682272037.db2.gz PTLGBCXIGSKQBO-MNOVXSKESA-N 1 1 290.323 1.014 10 5 CDBEMO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030894 682419656 /nfs/dbraw/zinc/41/96/56/682419656.db2.gz KJCGHXVGKUVMQF-RKDXNWHRSA-N 1 1 281.287 1.615 10 5 CDBEMO Cc1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)cc1[N+](=O)[O-] ZINC000879366508 682491296 /nfs/dbraw/zinc/49/12/96/682491296.db2.gz JDMWPGLQBYSMOD-DZGCQCFKSA-N 1 1 294.351 1.468 10 5 CDBEMO CC[N@H+]1CCC[C@H]1CN(C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000177161439 683232309 /nfs/dbraw/zinc/23/23/09/683232309.db2.gz SUNOMNPIOVDFES-ZDUSSCGKSA-N 1 1 295.387 1.782 10 5 CDBEMO Cc1nn(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779867171 683580553 /nfs/dbraw/zinc/58/05/53/683580553.db2.gz DZAPKKZLUZCWMB-OLZOCXBDSA-N 1 1 294.355 1.806 10 5 CDBEMO Cc1nn(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000779867171 683580559 /nfs/dbraw/zinc/58/05/59/683580559.db2.gz DZAPKKZLUZCWMB-OLZOCXBDSA-N 1 1 294.355 1.806 10 5 CDBEMO CC(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194277097 683586102 /nfs/dbraw/zinc/58/61/02/683586102.db2.gz PILZHSVFAROVGT-UHFFFAOYSA-N 1 1 277.324 1.696 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000794926572 683807299 /nfs/dbraw/zinc/80/72/99/683807299.db2.gz CDXLYLLJNKIYTG-RISCZKNCSA-N 1 1 279.315 1.870 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000842047698 683908859 /nfs/dbraw/zinc/90/88/59/683908859.db2.gz TUNPDGDWSNRELU-RYUDHWBXSA-N 1 1 279.340 1.486 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000816949270 1164172567 /nfs/dbraw/zinc/17/25/67/1164172567.db2.gz RPQZMNKNEDAEMF-RNCFNFMXSA-N 1 1 293.298 1.510 10 5 CDBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001648633863 1169144263 /nfs/dbraw/zinc/14/42/63/1169144263.db2.gz ALMRCSABTSEEBB-GHMZBOCLSA-N 1 1 298.314 1.157 10 5 CDBEMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001648633863 1169144266 /nfs/dbraw/zinc/14/42/66/1169144266.db2.gz ALMRCSABTSEEBB-GHMZBOCLSA-N 1 1 298.314 1.157 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1NCc1c[nH+]c2n1CCC2 ZINC001652233837 1171410047 /nfs/dbraw/zinc/41/00/47/1171410047.db2.gz DKAWTCUSNBAIQK-UHFFFAOYSA-N 1 1 290.327 1.874 10 5 CDBEMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC(C)(C)C ZINC001712945385 1178255837 /nfs/dbraw/zinc/25/58/37/1178255837.db2.gz DMIPJUNZYMZEIU-VXGBXAGGSA-N 1 1 285.388 1.526 10 5 CDBEMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC(C)(C)C ZINC001712945385 1178255840 /nfs/dbraw/zinc/25/58/40/1178255840.db2.gz DMIPJUNZYMZEIU-VXGBXAGGSA-N 1 1 285.388 1.526 10 5 CDBEMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC(C)(C)C ZINC001712945385 1178255844 /nfs/dbraw/zinc/25/58/44/1178255844.db2.gz DMIPJUNZYMZEIU-VXGBXAGGSA-N 1 1 285.388 1.526 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001636536121 1166681969 /nfs/dbraw/zinc/68/19/69/1166681969.db2.gz WUHKPHXVVMIYKR-WDEREUQCSA-N 1 1 292.339 1.463 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001636536121 1166681972 /nfs/dbraw/zinc/68/19/72/1166681972.db2.gz WUHKPHXVVMIYKR-WDEREUQCSA-N 1 1 292.339 1.463 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001177810169 914954548 /nfs/dbraw/zinc/95/45/48/914954548.db2.gz ITTVNUDIRODXFJ-GFCCVEGCSA-N 1 1 299.306 1.469 10 5 CDBEMO Cn1cc(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)c([N+](=O)[O-])n1 ZINC001171087153 931503961 /nfs/dbraw/zinc/50/39/61/931503961.db2.gz MPWXVRXANCGGAZ-WDEREUQCSA-N 1 1 280.328 1.185 10 5 CDBEMO Cn1cc(C[N@H+]2CC(C)(C)[C@H]3COC[C@H]32)c([N+](=O)[O-])n1 ZINC001171087153 931503963 /nfs/dbraw/zinc/50/39/63/931503963.db2.gz MPWXVRXANCGGAZ-WDEREUQCSA-N 1 1 280.328 1.185 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001349884319 966512391 /nfs/dbraw/zinc/51/23/91/966512391.db2.gz AEABQGCJVQLYSE-UHFFFAOYSA-N 1 1 278.243 1.878 10 5 CDBEMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001460782528 969543614 /nfs/dbraw/zinc/54/36/14/969543614.db2.gz YFCIEGZTUNNUEP-SNVBAGLBSA-N 1 1 290.327 1.209 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001654027011 1171585670 /nfs/dbraw/zinc/58/56/70/1171585670.db2.gz GBTATRBKSMYEPB-CYBMUJFWSA-N 1 1 277.324 1.761 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011966 342519857 /nfs/dbraw/zinc/51/98/57/342519857.db2.gz NRICBASTEWZVGC-IUODEOHRSA-N 1 1 291.351 1.610 10 5 CDBEMO CN1C[C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011966 342519858 /nfs/dbraw/zinc/51/98/58/342519858.db2.gz NRICBASTEWZVGC-IUODEOHRSA-N 1 1 291.351 1.610 10 5 CDBEMO CN1C[C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011966 342519859 /nfs/dbraw/zinc/51/98/59/342519859.db2.gz NRICBASTEWZVGC-IUODEOHRSA-N 1 1 291.351 1.610 10 5 CDBEMO CC[N@H+]1CCC[C@@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000127044782 342007820 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COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000595658244 343118757 /nfs/dbraw/zinc/11/87/57/343118757.db2.gz DLGUVZXEQIRGQT-CMPLNLGQSA-N 1 1 280.280 1.015 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc1 ZINC000596537415 343345656 /nfs/dbraw/zinc/34/56/56/343345656.db2.gz FJRABEOIEVTWNZ-ZDUSSCGKSA-N 1 1 292.339 1.025 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000597925865 343663608 /nfs/dbraw/zinc/66/36/08/343663608.db2.gz XLBDITQQVWPBGJ-SNVBAGLBSA-N 1 1 292.339 1.592 10 5 CDBEMO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000598968172 343931359 /nfs/dbraw/zinc/93/13/59/343931359.db2.gz UPCQUFSXUWETRF-NSHDSACASA-N 1 1 281.360 1.254 10 5 CDBEMO Nc1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)nc1[N+](=O)[O-] ZINC000599165699 343972842 /nfs/dbraw/zinc/97/28/42/343972842.db2.gz QQWBZTZKHNZANU-LLVKDONJSA-N 1 1 291.355 1.423 10 5 CDBEMO COC[C@H]1CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000293562613 362580490 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O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](O)CC1 ZINC000339786860 359444658 /nfs/dbraw/zinc/44/46/58/359444658.db2.gz IDOUEHCUPXICHL-NSHDSACASA-N 1 1 266.297 1.647 10 5 CDBEMO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347930846 359952292 /nfs/dbraw/zinc/95/22/92/359952292.db2.gz WKMLWZJTRZGYEE-JTQLQIEISA-N 1 1 278.312 1.232 10 5 CDBEMO C[C@]1(F)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295267524 369814857 /nfs/dbraw/zinc/81/48/57/369814857.db2.gz CEFYGBKTBGMMNS-ZDUSSCGKSA-N 1 1 283.303 1.581 10 5 CDBEMO C[C@]1(F)CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295267524 369814860 /nfs/dbraw/zinc/81/48/60/369814860.db2.gz CEFYGBKTBGMMNS-ZDUSSCGKSA-N 1 1 283.303 1.581 10 5 CDBEMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832995 374363657 /nfs/dbraw/zinc/36/36/57/374363657.db2.gz JMNAJYDSASTJRZ-LBPRGKRZSA-N 1 1 278.308 1.980 10 5 CDBEMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970450 375052578 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CDBEMO COC(=O)c1cc(NC(=O)[C@@H](C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001136959739 931485609 /nfs/dbraw/zinc/48/56/09/931485609.db2.gz BZVXBVYTOBVMGB-MRVPVSSYSA-N 1 1 295.295 1.270 10 5 CDBEMO CC(C)(CCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[N+](=O)[O-] ZINC001523988498 970786712 /nfs/dbraw/zinc/78/67/12/970786712.db2.gz JFYNCYJDYVJYMD-NWDGAFQWSA-N 1 1 283.372 1.565 10 5 CDBEMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC001559706512 960795499 /nfs/dbraw/zinc/79/54/99/960795499.db2.gz RPIMIQYQTUANSZ-HONMWMINSA-N 1 1 280.324 1.331 10 5 CDBEMO CC[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)C1 ZINC001558528420 965307835 /nfs/dbraw/zinc/30/78/35/965307835.db2.gz VPNFDPYRQBTHEC-JTQLQIEISA-N 1 1 280.328 1.383 10 5 CDBEMO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC001526956467 968625775 /nfs/dbraw/zinc/62/57/75/968625775.db2.gz FFQRJPONUMTYHR-NSHDSACASA-N 1 1 278.312 1.729 10 5 CDBEMO CC(=O)NCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001571337668 1170371658 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10 5 CDBEMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000590696053 342583571 /nfs/dbraw/zinc/58/35/71/342583571.db2.gz NQQYZBRUBPQDRC-VHSXEESVSA-N 1 1 289.339 2.000 10 5 CDBEMO CO[C@@]1(CO)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000401711573 342623470 /nfs/dbraw/zinc/62/34/70/342623470.db2.gz VXQONNHDNYEYGZ-AWEZNQCLSA-N 1 1 280.324 1.568 10 5 CDBEMO CC1(C)C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725761 342829230 /nfs/dbraw/zinc/82/92/30/342829230.db2.gz VCRPEKZMYWJVPP-UHFFFAOYSA-N 1 1 265.313 1.484 10 5 CDBEMO [NH3+]C[C@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725736 342829321 /nfs/dbraw/zinc/82/93/21/342829321.db2.gz UGJHQMHCQWKEGX-LLVKDONJSA-N 1 1 265.313 1.614 10 5 CDBEMO CCc1nn(C)c(N[C@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000091559455 349779226 /nfs/dbraw/zinc/77/92/26/349779226.db2.gz XBJQTUYKKGIHEP-JTQLQIEISA-N 1 1 281.360 1.787 10 5 CDBEMO Cc1noc(C[N@@H+](C[C@H](C)O)C(C)C)c1[N+](=O)[O-] ZINC000595312886 343033620 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CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597856870 343647429 /nfs/dbraw/zinc/64/74/29/343647429.db2.gz BXFCUKUMMCNFMQ-VIFPVBQESA-N 1 1 281.312 1.790 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945021 343675520 /nfs/dbraw/zinc/67/55/20/343675520.db2.gz GNQRCEKSCYTFBB-SECBINFHSA-N 1 1 283.353 1.823 10 5 CDBEMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cscn1 ZINC000611336927 346751285 /nfs/dbraw/zinc/75/12/85/346751285.db2.gz NUTPERFMRYMNBC-MRVPVSSYSA-N 1 1 267.314 1.599 10 5 CDBEMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc([N+](=O)[O-])nc1 ZINC000344431749 362777161 /nfs/dbraw/zinc/77/71/61/362777161.db2.gz LBZPZXGESNQRKS-LLVKDONJSA-N 1 1 264.329 1.768 10 5 CDBEMO C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000108945718 186236905 /nfs/dbraw/zinc/23/69/05/186236905.db2.gz IFFPKGLDQIJPEA-LBPRGKRZSA-N 1 1 251.286 1.337 10 5 CDBEMO C[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000108945718 186236907 /nfs/dbraw/zinc/23/69/07/186236907.db2.gz 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C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000050393743 287067572 /nfs/dbraw/zinc/06/75/72/287067572.db2.gz OLTWIMMVGSZHTC-KOLCDFICSA-N 1 1 263.297 1.524 10 5 CDBEMO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000037403673 173180078 /nfs/dbraw/zinc/18/00/78/173180078.db2.gz OFVOABYUCSKDAV-SNVBAGLBSA-N 1 1 297.742 1.946 10 5 CDBEMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000037403673 173180079 /nfs/dbraw/zinc/18/00/79/173180079.db2.gz OFVOABYUCSKDAV-SNVBAGLBSA-N 1 1 297.742 1.946 10 5 CDBEMO [NH3+]CCCc1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000072236594 176345714 /nfs/dbraw/zinc/34/57/14/176345714.db2.gz AYODYQLAEWCWNP-UHFFFAOYSA-N 1 1 277.284 1.183 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)C1 ZINC000076489300 177027679 /nfs/dbraw/zinc/02/76/79/177027679.db2.gz ANIVEYSNICBXEP-MNOVXSKESA-N 1 1 295.339 1.990 10 5 CDBEMO C[C@H]1CC[C@](CO)([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187977861 261817465 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C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050815298 524391129 /nfs/dbraw/zinc/39/11/29/524391129.db2.gz OJXZPNCGQUADAA-UWVGGRQHSA-N 1 1 292.339 1.263 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749676190 576957223 /nfs/dbraw/zinc/95/72/23/576957223.db2.gz LXNVBRQHRAHYAL-DGCLKSJQSA-N 1 1 294.307 1.123 10 5 CDBEMO Cc1cc(F)cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000758471538 577110357 /nfs/dbraw/zinc/11/03/57/577110357.db2.gz HDGMDVCAMZTNJK-LLVKDONJSA-N 1 1 295.314 1.866 10 5 CDBEMO Cc1sc(C(=O)N2CC([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000898614227 621820758 /nfs/dbraw/zinc/82/07/58/621820758.db2.gz OGJFNFPFNMFHDO-UHFFFAOYSA-N 1 1 295.364 1.885 10 5 CDBEMO C[N@H+]1CC[C@](O)(CNCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000702583884 695471608 /nfs/dbraw/zinc/47/16/08/695471608.db2.gz GQTUEGGYCLGRHJ-ZDUSSCGKSA-N 1 1 299.758 1.404 10 5 CDBEMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000712333527 695506527 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CC(C)(O)C[N@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000865999571 1164719646 /nfs/dbraw/zinc/71/96/46/1164719646.db2.gz UNEDHYJRGXPOOU-NSHDSACASA-N 1 1 297.330 1.991 10 5 CDBEMO Cc1ccc(NC(=O)CCc2cnc[nH]2)c(N)c1[N+](=O)[O-] ZINC001636724213 1166692263 /nfs/dbraw/zinc/69/22/63/1166692263.db2.gz RSAFEUSFQVUVAW-UHFFFAOYSA-N 1 1 289.295 1.780 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001644305771 1167307987 /nfs/dbraw/zinc/30/79/87/1167307987.db2.gz UGIDOBVAXSBJTN-VIFPVBQESA-N 1 1 292.274 1.237 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001644305771 1167307991 /nfs/dbraw/zinc/30/79/91/1167307991.db2.gz UGIDOBVAXSBJTN-VIFPVBQESA-N 1 1 292.274 1.237 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001655886633 1171733216 /nfs/dbraw/zinc/73/32/16/1171733216.db2.gz PXNKCTAWPOVXFF-CYBMUJFWSA-N 1 1 250.298 1.727 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001655886633 1171733219 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NC(=O)CC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000048024635 724456207 /nfs/dbraw/zinc/45/62/07/724456207.db2.gz LAWWXLFNDYQRDS-UHFFFAOYSA-N 1 1 295.314 1.821 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247205438 724594894 /nfs/dbraw/zinc/59/48/94/724594894.db2.gz WQPLFXHQCGCYAH-WCQYABFASA-N 1 1 280.328 1.376 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247205438 724594898 /nfs/dbraw/zinc/59/48/98/724594898.db2.gz WQPLFXHQCGCYAH-WCQYABFASA-N 1 1 280.328 1.376 10 5 CDBEMO Cc1noc(CO[NH+]=C(N)[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000853731991 723777856 /nfs/dbraw/zinc/77/78/56/723777856.db2.gz UWQHHXUURXOIIB-IYSWYEEDSA-N 1 1 254.246 1.546 10 5 CDBEMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)nc1 ZINC000177635542 724289716 /nfs/dbraw/zinc/28/97/16/724289716.db2.gz JJENOCZLPCRRFG-UHFFFAOYSA-N 1 1 295.730 1.972 10 5 CDBEMO Cc1nn(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000853591589 725287995 /nfs/dbraw/zinc/28/79/95/725287995.db2.gz TVODWHQTGIOFSH-QWRGUYRKSA-N 1 1 266.301 1.026 10 5 CDBEMO Cc1nn(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000853591589 725287998 /nfs/dbraw/zinc/28/79/98/725287998.db2.gz TVODWHQTGIOFSH-QWRGUYRKSA-N 1 1 266.301 1.026 10 5 CDBEMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)Cc2c[nH]nc21 ZINC000931458919 725344766 /nfs/dbraw/zinc/34/47/66/725344766.db2.gz KVPSNJKKNIZDBD-VIFPVBQESA-N 1 1 276.300 1.134 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1F ZINC000123198533 725377327 /nfs/dbraw/zinc/37/73/27/725377327.db2.gz ZSPCWXDMVZBKEK-SNVBAGLBSA-N 1 1 268.288 1.938 10 5 CDBEMO CON1CC[C@H]([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000930354074 725947215 /nfs/dbraw/zinc/94/72/15/725947215.db2.gz ODCGXZJYHABRTF-ZDUSSCGKSA-N 1 1 293.323 1.231 10 5 CDBEMO CON1CC[C@H]([N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000930354074 725947216 /nfs/dbraw/zinc/94/72/16/725947216.db2.gz ODCGXZJYHABRTF-ZDUSSCGKSA-N 1 1 293.323 1.231 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001620647443 1165663657 /nfs/dbraw/zinc/66/36/57/1165663657.db2.gz RXQYKGLZSOAYFX-WCQYABFASA-N 1 1 296.396 1.785 10 5 CDBEMO Nc1[nH+]cccc1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000052733887 1166813896 /nfs/dbraw/zinc/81/38/96/1166813896.db2.gz FSRFMHGUTOLSGM-UHFFFAOYSA-N 1 1 298.100 1.579 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2CCO)cc1 ZINC000694922042 898788459 /nfs/dbraw/zinc/78/84/59/898788459.db2.gz PTSHBCPWNKXOEC-CQSZACIVSA-N 1 1 280.324 1.221 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2CCO)cc1 ZINC000694922042 898788465 /nfs/dbraw/zinc/78/84/65/898788465.db2.gz PTSHBCPWNKXOEC-CQSZACIVSA-N 1 1 280.324 1.221 10 5 CDBEMO CC[N@@H+]1CC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001136172125 930742683 /nfs/dbraw/zinc/74/26/83/930742683.db2.gz QCUGKLIOEUZGSF-CYBMUJFWSA-N 1 1 277.324 1.647 10 5 CDBEMO CC[N@H+]1CC[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001136172125 930742687 /nfs/dbraw/zinc/74/26/87/930742687.db2.gz QCUGKLIOEUZGSF-CYBMUJFWSA-N 1 1 277.324 1.647 10 5 CDBEMO CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001265476761 944402707 /nfs/dbraw/zinc/40/27/07/944402707.db2.gz OZUNTRKXGZQFBA-ARLSYOGJSA-N 1 1 295.383 1.635 10 5 CDBEMO CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001479368347 971314437 /nfs/dbraw/zinc/31/44/37/971314437.db2.gz YZDGFRGQKBOKOC-FDYHWXHSSA-N 1 1 281.356 1.102 10 5 CDBEMO CC(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001319966668 958824899 /nfs/dbraw/zinc/82/48/99/958824899.db2.gz NILHQBLJJKYPCH-UHFFFAOYSA-N 1 1 265.313 1.505 10 5 CDBEMO CC(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001319966668 958824911 /nfs/dbraw/zinc/82/49/11/958824911.db2.gz NILHQBLJJKYPCH-UHFFFAOYSA-N 1 1 265.313 1.505 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000593727237 342829715 /nfs/dbraw/zinc/82/97/15/342829715.db2.gz GQLYFDGXTXHRQH-TXEJJXNPSA-N 1 1 277.324 1.627 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000048752045 342262885 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C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000294980058 199281458 /nfs/dbraw/zinc/28/14/58/199281458.db2.gz JQUVCFXDSDRRSQ-GWCFXTLKSA-N 1 1 250.298 1.940 10 5 CDBEMO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cscn1 ZINC000595669539 343122444 /nfs/dbraw/zinc/12/24/44/343122444.db2.gz WIHCDAYAYGYCGU-QMMMGPOBSA-N 1 1 267.314 1.599 10 5 CDBEMO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000595853938 343164964 /nfs/dbraw/zinc/16/49/64/343164964.db2.gz ZJCXMZGMDZNCRD-TXEJJXNPSA-N 1 1 278.308 1.978 10 5 CDBEMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000595853938 343164965 /nfs/dbraw/zinc/16/49/65/343164965.db2.gz ZJCXMZGMDZNCRD-TXEJJXNPSA-N 1 1 278.308 1.978 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000597210530 343475752 /nfs/dbraw/zinc/47/57/52/343475752.db2.gz IRNHVMBKBIHNBG-GXTWGEPZSA-N 1 1 262.309 1.860 10 5 CDBEMO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597858743 343647903 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C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271801444 191336204 /nfs/dbraw/zinc/33/62/04/191336204.db2.gz MLCNVOZKJADXNL-ZWNOBZJWSA-N 1 1 277.324 1.866 10 5 CDBEMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)C1 ZINC000286199195 356233535 /nfs/dbraw/zinc/23/35/35/356233535.db2.gz BPDLPFPGYJIYKK-VIFPVBQESA-N 1 1 291.311 1.661 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000273636367 192241570 /nfs/dbraw/zinc/24/15/70/192241570.db2.gz RFMKDAAOHNSZIW-PWSUYJOCSA-N 1 1 279.344 1.551 10 5 CDBEMO COCCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000188936763 357954470 /nfs/dbraw/zinc/95/44/70/357954470.db2.gz CVQXGGKNVFLXPU-UHFFFAOYSA-N 1 1 282.340 1.734 10 5 CDBEMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000341115154 366485786 /nfs/dbraw/zinc/48/57/86/366485786.db2.gz JXNLUSJTQRVGBO-LLVKDONJSA-N 1 1 266.345 1.944 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(NCCc2c[nH+]cn2C)n1 ZINC000544395741 359024157 /nfs/dbraw/zinc/02/41/57/359024157.db2.gz JMGPGEALXDKMAD-UHFFFAOYSA-N 1 1 275.312 1.995 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605776 360464023 /nfs/dbraw/zinc/46/40/23/360464023.db2.gz GBCAIAOZRXDNIF-UHFFFAOYSA-N 1 1 295.364 1.967 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@H+](C2CC2)CC1 ZINC000061605776 360464032 /nfs/dbraw/zinc/46/40/32/360464032.db2.gz GBCAIAOZRXDNIF-UHFFFAOYSA-N 1 1 295.364 1.967 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000183337453 189355403 /nfs/dbraw/zinc/35/54/03/189355403.db2.gz XXAKWQJDISREFP-HNNXBMFYSA-N 1 1 294.351 1.877 10 5 CDBEMO C[N@H+](CCCCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000276418533 193322638 /nfs/dbraw/zinc/32/26/38/193322638.db2.gz QLAGPPRGHRMNER-UHFFFAOYSA-N 1 1 281.312 1.238 10 5 CDBEMO C[N@@H+](CCCCO)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000276418533 193322640 /nfs/dbraw/zinc/32/26/40/193322640.db2.gz QLAGPPRGHRMNER-UHFFFAOYSA-N 1 1 281.312 1.238 10 5 CDBEMO Cc1c(C[N@@H+]2CCOC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000295424203 370212069 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O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173955720 285160683 /nfs/dbraw/zinc/16/06/83/285160683.db2.gz MTZKKONVLIEOLT-CQSZACIVSA-N 1 1 291.351 1.501 10 5 CDBEMO COCC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413119115 391159669 /nfs/dbraw/zinc/15/96/69/391159669.db2.gz MWIFOYUAKAQNMI-SNVBAGLBSA-N 1 1 298.318 1.652 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2C)n1 ZINC000408171346 391458932 /nfs/dbraw/zinc/45/89/32/391458932.db2.gz IEYSSNMNLRVUDI-LLVKDONJSA-N 1 1 264.329 1.747 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C)C[C@H]2C)n1 ZINC000408171346 391458934 /nfs/dbraw/zinc/45/89/34/391458934.db2.gz IEYSSNMNLRVUDI-LLVKDONJSA-N 1 1 264.329 1.747 10 5 CDBEMO Cc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301633809 392786441 /nfs/dbraw/zinc/78/64/41/392786441.db2.gz DJQCTLARQPZGGG-KBPBESRZSA-N 1 1 277.324 1.422 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000425354053 393020598 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O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000044686255 175232269 /nfs/dbraw/zinc/23/22/69/175232269.db2.gz JYERIRFPSUVPIZ-SECBINFHSA-N 1 1 251.286 1.514 10 5 CDBEMO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000044686255 175232270 /nfs/dbraw/zinc/23/22/70/175232270.db2.gz JYERIRFPSUVPIZ-SECBINFHSA-N 1 1 251.286 1.514 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)N(C)C ZINC000045107721 175308493 /nfs/dbraw/zinc/30/84/93/175308493.db2.gz COHUQNCIJLRWKK-SNVBAGLBSA-N 1 1 267.329 1.643 10 5 CDBEMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398507487 270355052 /nfs/dbraw/zinc/35/50/52/270355052.db2.gz KVNQCMACNRTAKO-SNVBAGLBSA-N 1 1 281.287 1.302 10 5 CDBEMO COCC[N@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286161701 274026708 /nfs/dbraw/zinc/02/67/08/274026708.db2.gz CEQQHGCQQXXUBG-UHFFFAOYSA-N 1 1 297.330 1.892 10 5 CDBEMO COc1cccc(N2CC[N@@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000363701350 278016370 /nfs/dbraw/zinc/01/63/70/278016370.db2.gz 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CCc1nn(C)c(N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000246451500 379563604 /nfs/dbraw/zinc/56/36/04/379563604.db2.gz NSEJDOODFTYADM-JTQLQIEISA-N 1 1 279.344 1.175 10 5 CDBEMO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](CCCO)CC1 ZINC000286015622 285156510 /nfs/dbraw/zinc/15/65/10/285156510.db2.gz ALKKWLRFUIMWIO-UHFFFAOYSA-N 1 1 283.303 1.238 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000195508302 285175217 /nfs/dbraw/zinc/17/52/17/285175217.db2.gz OOXLGBMATAGITC-MRVPVSSYSA-N 1 1 254.315 1.336 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000153108268 392638071 /nfs/dbraw/zinc/63/80/71/392638071.db2.gz XQQPDEWBFRHJRY-ZIAGYGMSSA-N 1 1 277.324 1.422 10 5 CDBEMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000532398124 393073192 /nfs/dbraw/zinc/07/31/92/393073192.db2.gz RCKGQUSMNNNTKG-JTQLQIEISA-N 1 1 278.312 1.061 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195338921 140153623 /nfs/dbraw/zinc/15/36/23/140153623.db2.gz 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Cc1nc(N2CCc3cc[nH+]c(N)c3C2)ccc1[N+](=O)[O-] ZINC001655942165 1171749726 /nfs/dbraw/zinc/74/97/26/1171749726.db2.gz GVTLUVCKZNHANZ-UHFFFAOYSA-N 1 1 285.307 1.838 10 5 CDBEMO CN(CCC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716540683 1180277162 /nfs/dbraw/zinc/27/71/62/1180277162.db2.gz KONORFUGQAQHFU-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+]1C ZINC000719367269 729389990 /nfs/dbraw/zinc/38/99/90/729389990.db2.gz BZOSOINCMMKIDC-YUMQZZPRSA-N 1 1 268.292 1.821 10 5 CDBEMO C/C(=C\C(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784960612 728934335 /nfs/dbraw/zinc/93/43/35/728934335.db2.gz YVWCFXMIMCBOJR-VAWYXSNFSA-N 1 1 289.335 1.772 10 5 CDBEMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000923278598 728941339 /nfs/dbraw/zinc/94/13/39/728941339.db2.gz WIRHGLZSBPVBLL-CMPLNLGQSA-N 1 1 290.323 1.299 10 5 CDBEMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)c1 ZINC000712535224 728439192 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CC(C)c1cc([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n[nH]1 ZINC000931607730 728541924 /nfs/dbraw/zinc/54/19/24/728541924.db2.gz JOPXQWBHVKGVDT-NSHDSACASA-N 1 1 266.345 1.989 10 5 CDBEMO CC(C)c1cc([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n[nH]1 ZINC000931607730 728541927 /nfs/dbraw/zinc/54/19/27/728541927.db2.gz JOPXQWBHVKGVDT-NSHDSACASA-N 1 1 266.345 1.989 10 5 CDBEMO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000252662158 729035378 /nfs/dbraw/zinc/03/53/78/729035378.db2.gz VKWUMSISFIHJLK-RYUDHWBXSA-N 1 1 278.312 1.265 10 5 CDBEMO CCn1cc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000847821523 729128916 /nfs/dbraw/zinc/12/89/16/729128916.db2.gz HZTFDBITOODWIC-JTQLQIEISA-N 1 1 296.327 1.310 10 5 CDBEMO C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1C[NH3+] ZINC000923491797 729384617 /nfs/dbraw/zinc/38/46/17/729384617.db2.gz JSOCEXSXUMJLEL-WDEREUQCSA-N 1 1 264.329 1.407 10 5 CDBEMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)nc1 ZINC000720475038 729809407 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COC(=O)[C@]1(OC)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000599567191 344086058 /nfs/dbraw/zinc/08/60/58/344086058.db2.gz NHXRQXSKLVCUSE-AWEZNQCLSA-N 1 1 294.307 1.359 10 5 CDBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000120517983 362372839 /nfs/dbraw/zinc/37/28/39/362372839.db2.gz SZAZZQCNLVUQMR-SNVBAGLBSA-N 1 1 295.343 1.168 10 5 CDBEMO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120517983 362372844 /nfs/dbraw/zinc/37/28/44/362372844.db2.gz SZAZZQCNLVUQMR-SNVBAGLBSA-N 1 1 295.343 1.168 10 5 CDBEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120517983 362372850 /nfs/dbraw/zinc/37/28/50/362372850.db2.gz SZAZZQCNLVUQMR-SNVBAGLBSA-N 1 1 295.343 1.168 10 5 CDBEMO CC[N@H+]1CC[C@H]2OCCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000292916711 362519792 /nfs/dbraw/zinc/51/97/92/362519792.db2.gz XXSVUAVUDNIYLE-QWHCGFSZSA-N 1 1 292.339 1.289 10 5 CDBEMO CC[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C[C@H]1C ZINC000611242445 346716436 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O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000176217678 358741273 /nfs/dbraw/zinc/74/12/73/358741273.db2.gz IVMALJHXTUDRKF-NWDGAFQWSA-N 1 1 280.328 1.435 10 5 CDBEMO C[C@H]1CC[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176286803 358782356 /nfs/dbraw/zinc/78/23/56/358782356.db2.gz CSPQFYGRYHJSKJ-QWRGUYRKSA-N 1 1 252.318 1.912 10 5 CDBEMO C[C@@H]1CC[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176286784 358782793 /nfs/dbraw/zinc/78/27/93/358782793.db2.gz CSPQFYGRYHJSKJ-MNOVXSKESA-N 1 1 252.318 1.912 10 5 CDBEMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000540020168 359042708 /nfs/dbraw/zinc/04/27/08/359042708.db2.gz IOTHBSPIFJXSRA-VHSXEESVSA-N 1 1 278.312 1.154 10 5 CDBEMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000540020168 359042711 /nfs/dbraw/zinc/04/27/11/359042711.db2.gz IOTHBSPIFJXSRA-VHSXEESVSA-N 1 1 278.312 1.154 10 5 CDBEMO Cc1c(CN[C@@H](C)[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000400345657 364734047 /nfs/dbraw/zinc/73/40/47/364734047.db2.gz IUMRPEJAOPNHQV-WCQYABFASA-N 1 1 263.341 1.991 10 5 CDBEMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000095017774 370204673 /nfs/dbraw/zinc/20/46/73/370204673.db2.gz HEFPJAVKNLQNPT-SNVBAGLBSA-N 1 1 282.271 1.729 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000095017774 370204675 /nfs/dbraw/zinc/20/46/75/370204675.db2.gz HEFPJAVKNLQNPT-SNVBAGLBSA-N 1 1 282.271 1.729 10 5 CDBEMO O=C1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1 ZINC000093101529 371017666 /nfs/dbraw/zinc/01/76/66/371017666.db2.gz GHYROUGSIHNZJO-HWKANZROSA-N 1 1 275.308 1.430 10 5 CDBEMO O=C1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1 ZINC000093101529 371017672 /nfs/dbraw/zinc/01/76/72/371017672.db2.gz GHYROUGSIHNZJO-HWKANZROSA-N 1 1 275.308 1.430 10 5 CDBEMO C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000418997458 374272210 /nfs/dbraw/zinc/27/22/10/374272210.db2.gz GCXVVAXWTGUNBQ-MNOVXSKESA-N 1 1 297.330 1.625 10 5 CDBEMO CC[NH+]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462362 374407225 /nfs/dbraw/zinc/40/72/25/374407225.db2.gz MQTVUJXWMIGWQJ-OCCSQVGLSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[NH+]1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462362 374407230 /nfs/dbraw/zinc/40/72/30/374407230.db2.gz MQTVUJXWMIGWQJ-OCCSQVGLSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[N@@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462362 374407234 /nfs/dbraw/zinc/40/72/34/374407234.db2.gz MQTVUJXWMIGWQJ-OCCSQVGLSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462362 374407239 /nfs/dbraw/zinc/40/72/39/374407239.db2.gz MQTVUJXWMIGWQJ-OCCSQVGLSA-N 1 1 295.387 1.453 10 5 CDBEMO CCN1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462362 374407243 /nfs/dbraw/zinc/40/72/43/374407243.db2.gz MQTVUJXWMIGWQJ-OCCSQVGLSA-N 1 1 295.387 1.453 10 5 CDBEMO CCN1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462362 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1.597 10 5 CDBEMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000193724261 375895729 /nfs/dbraw/zinc/89/57/29/375895729.db2.gz NJEQRDWAYABCGU-CYBMUJFWSA-N 1 1 290.323 1.907 10 5 CDBEMO O=[N+]([O-])c1ccc(CCN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000172053715 377238291 /nfs/dbraw/zinc/23/82/91/377238291.db2.gz PVNYFXTWOXDFKZ-OAHLLOKOSA-N 1 1 275.352 1.917 10 5 CDBEMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)C1 ZINC000450949896 390580686 /nfs/dbraw/zinc/58/06/86/390580686.db2.gz BPWKCWGUBWJKDF-GFCCVEGCSA-N 1 1 264.329 1.909 10 5 CDBEMO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187663467 390895710 /nfs/dbraw/zinc/89/57/10/390895710.db2.gz ZMPMGVWYYTUYMZ-LLVKDONJSA-N 1 1 297.330 1.232 10 5 CDBEMO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187663467 390895711 /nfs/dbraw/zinc/89/57/11/390895711.db2.gz ZMPMGVWYYTUYMZ-LLVKDONJSA-N 1 1 297.330 1.232 10 5 CDBEMO C[C@H]1CC(C)(C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000412038890 391065216 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Cc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000866204842 733759759 /nfs/dbraw/zinc/75/97/59/733759759.db2.gz GWQBWIZNJBVTKZ-RYUDHWBXSA-N 1 1 276.340 1.829 10 5 CDBEMO CC(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000776581609 733815082 /nfs/dbraw/zinc/81/50/82/733815082.db2.gz FKLNVMYQWKCEEC-FZMZJTMJSA-N 1 1 282.340 1.719 10 5 CDBEMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1CO ZINC000189726093 733839600 /nfs/dbraw/zinc/83/96/00/733839600.db2.gz PKYLOFOIRHWWLR-TVQRCGJNSA-N 1 1 268.288 1.937 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000050104353 733855897 /nfs/dbraw/zinc/85/58/97/733855897.db2.gz DKDYLJYDTQBPGG-SNVBAGLBSA-N 1 1 268.288 1.938 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000050104353 733855899 /nfs/dbraw/zinc/85/58/99/733855899.db2.gz DKDYLJYDTQBPGG-SNVBAGLBSA-N 1 1 268.288 1.938 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(N)c3F)CC[C@@H]21 ZINC000866204605 734209542 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CDBEMO [NH3+]CCCOCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000863483496 735116372 /nfs/dbraw/zinc/11/63/72/735116372.db2.gz BUJKKMVLDFIYBU-UHFFFAOYSA-N 1 1 287.747 1.703 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCF)CC2)n1 ZINC000858600189 735118996 /nfs/dbraw/zinc/11/89/96/735118996.db2.gz UKZVGMHJWJNBMJ-UHFFFAOYSA-N 1 1 282.319 1.780 10 5 CDBEMO CC[N@@H+]1CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001624450493 1165841796 /nfs/dbraw/zinc/84/17/96/1165841796.db2.gz ARSKJAOQSZLZHH-ZDUSSCGKSA-N 1 1 292.339 1.217 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001624450493 1165841806 /nfs/dbraw/zinc/84/18/06/1165841806.db2.gz ARSKJAOQSZLZHH-ZDUSSCGKSA-N 1 1 292.339 1.217 10 5 CDBEMO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCC1 ZINC001632319460 1166341960 /nfs/dbraw/zinc/34/19/60/1166341960.db2.gz WGQHNHNNCQPDBL-UHFFFAOYSA-N 1 1 293.323 1.429 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)cc1F ZINC001176965249 914403360 /nfs/dbraw/zinc/40/33/60/914403360.db2.gz KFCSVVHTEXMOQU-RYUDHWBXSA-N 1 1 298.314 1.157 10 5 CDBEMO CC[N@@H+]1CC[C@H]1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001647994649 1169089129 /nfs/dbraw/zinc/08/91/29/1169089129.db2.gz CEARRTANMSNNCN-FZMZJTMJSA-N 1 1 291.351 1.909 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001647994649 1169089136 /nfs/dbraw/zinc/08/91/36/1169089136.db2.gz CEARRTANMSNNCN-FZMZJTMJSA-N 1 1 291.351 1.909 10 5 CDBEMO O=C(NCC1([NH2+]CC2CCC2)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001484635034 915963609 /nfs/dbraw/zinc/96/36/09/915963609.db2.gz RXYCEGYJKZMUAG-VXGBXAGGSA-N 1 1 281.356 1.080 10 5 CDBEMO CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001319875820 958767438 /nfs/dbraw/zinc/76/74/38/958767438.db2.gz AMWDOXPSSQUITH-ZIAGYGMSSA-N 1 1 297.399 1.622 10 5 CDBEMO CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001319875820 958767456 /nfs/dbraw/zinc/76/74/56/958767456.db2.gz AMWDOXPSSQUITH-ZIAGYGMSSA-N 1 1 297.399 1.622 10 5 CDBEMO CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001319875820 958767472 /nfs/dbraw/zinc/76/74/72/958767472.db2.gz AMWDOXPSSQUITH-ZIAGYGMSSA-N 1 1 297.399 1.622 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001559226127 965417800 /nfs/dbraw/zinc/41/78/00/965417800.db2.gz DWWUVIQQEZKHBO-NEPJUHHUSA-N 1 1 293.371 1.508 10 5 CDBEMO C[N@H+]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001456156619 968874936 /nfs/dbraw/zinc/87/49/36/968874936.db2.gz DIGFGLCERABPIC-CYBMUJFWSA-N 1 1 291.351 1.594 10 5 CDBEMO O=C1OCC[C@]12CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC001655918468 1171745300 /nfs/dbraw/zinc/74/53/00/1171745300.db2.gz DYWOJUJYJYKXIE-ZDUSSCGKSA-N 1 1 277.280 1.129 10 5 CDBEMO O=C1OCC[C@]12CC[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC001655918468 1171745307 /nfs/dbraw/zinc/74/53/07/1171745307.db2.gz DYWOJUJYJYKXIE-ZDUSSCGKSA-N 1 1 277.280 1.129 10 5 CDBEMO COc1cc(C[N@@H+](C)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000611516446 346807364 /nfs/dbraw/zinc/80/73/64/346807364.db2.gz AYAPUQWRKKDNQR-UHFFFAOYSA-N 1 1 268.313 1.806 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045258 342520603 /nfs/dbraw/zinc/52/06/03/342520603.db2.gz OIRXTEVWWJJQIB-PSASIEDQSA-N 1 1 281.337 1.432 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333899 342555011 /nfs/dbraw/zinc/55/50/11/342555011.db2.gz IFHNGXGTQDECEG-RISCZKNCSA-N 1 1 291.351 1.874 10 5 CDBEMO C[C@](C[NH3+])(NCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000593725422 342829421 /nfs/dbraw/zinc/82/94/21/342829421.db2.gz OODHXQQCPODENM-CYBMUJFWSA-N 1 1 265.313 1.517 10 5 CDBEMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000593728078 342829549 /nfs/dbraw/zinc/82/95/49/342829549.db2.gz ZEBSGRCLXMFQMR-NXEZZACHSA-N 1 1 265.313 1.483 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000593727210 342829645 /nfs/dbraw/zinc/82/96/45/342829645.db2.gz FRZBNWSGWRRKLP-GXFFZTMASA-N 1 1 277.324 1.484 10 5 CDBEMO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595474306 343063973 /nfs/dbraw/zinc/06/39/73/343063973.db2.gz LDPQMQAEONNJQJ-NWDGAFQWSA-N 1 1 284.287 1.316 10 5 CDBEMO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595474306 343063974 /nfs/dbraw/zinc/06/39/74/343063974.db2.gz LDPQMQAEONNJQJ-NWDGAFQWSA-N 1 1 284.287 1.316 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c(F)c1 ZINC000595756068 343141980 /nfs/dbraw/zinc/14/19/80/343141980.db2.gz DHFAUPWHIOSNFS-GXFFZTMASA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c(F)c1 ZINC000595756068 343141981 /nfs/dbraw/zinc/14/19/81/343141981.db2.gz DHFAUPWHIOSNFS-GXFFZTMASA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595827654 343167427 /nfs/dbraw/zinc/16/74/27/343167427.db2.gz CUQRGTLZOHXQKF-QWHCGFSZSA-N 1 1 292.335 1.942 10 5 CDBEMO COCC[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000080948242 342362020 /nfs/dbraw/zinc/36/20/20/342362020.db2.gz ISUVFFBCSCYQJF-UHFFFAOYSA-N 1 1 297.330 1.892 10 5 CDBEMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645138 344112167 /nfs/dbraw/zinc/11/21/67/344112167.db2.gz PRBMMZRBPNOZFA-BJHJDKERSA-N 1 1 277.324 1.333 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344223496 362557352 /nfs/dbraw/zinc/55/73/52/362557352.db2.gz QMHNJWPGXQDILA-NSHDSACASA-N 1 1 281.287 1.558 10 5 CDBEMO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000617722346 345926997 /nfs/dbraw/zinc/92/69/97/345926997.db2.gz MMOHUUXWYRJESZ-YPMHNXCESA-N 1 1 291.351 1.909 10 5 CDBEMO Cc1c(CC(=O)N[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000610969996 346558987 /nfs/dbraw/zinc/55/89/87/346558987.db2.gz FCOUVGGZWLNSJC-CYBMUJFWSA-N 1 1 291.351 1.656 10 5 CDBEMO COc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000618208154 349402755 /nfs/dbraw/zinc/40/27/55/349402755.db2.gz DWOFCAKASKKREK-SNVBAGLBSA-N 1 1 293.323 1.427 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364312218 362979154 /nfs/dbraw/zinc/97/91/54/362979154.db2.gz BMGFRFBCLCRMCC-GFCCVEGCSA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364312218 362979155 /nfs/dbraw/zinc/97/91/55/362979155.db2.gz BMGFRFBCLCRMCC-GFCCVEGCSA-N 1 1 266.272 1.691 10 5 CDBEMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000092456776 351281355 /nfs/dbraw/zinc/28/13/55/351281355.db2.gz YUROCKXCUUTVHR-SECBINFHSA-N 1 1 251.286 1.094 10 5 CDBEMO CC1(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)COC1 ZINC000347778016 359635640 /nfs/dbraw/zinc/63/56/40/359635640.db2.gz BXTGSSIWPCJICH-UHFFFAOYSA-N 1 1 263.297 1.384 10 5 CDBEMO CC1(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)COC1 ZINC000347778016 359635645 /nfs/dbraw/zinc/63/56/45/359635645.db2.gz BXTGSSIWPCJICH-UHFFFAOYSA-N 1 1 263.297 1.384 10 5 CDBEMO CNC(=O)CC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000046503388 360076135 /nfs/dbraw/zinc/07/61/35/360076135.db2.gz MLAUUTBKASYULH-SNVBAGLBSA-N 1 1 265.313 1.724 10 5 CDBEMO Cc1nc(N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408279762 360340521 /nfs/dbraw/zinc/34/05/21/360340521.db2.gz CCCYYNDPMPOCDT-VIFPVBQESA-N 1 1 250.302 1.439 10 5 CDBEMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1c([N+](=O)[O-])ncn1C ZINC000408380902 360756656 /nfs/dbraw/zinc/75/66/56/360756656.db2.gz DSOCTXPDENGRAL-IUCAKERBSA-N 1 1 268.317 1.062 10 5 CDBEMO C[C@@H]1C[C@H](N(C)c2ncccc2[N+](=O)[O-])CC[N@H+]1C ZINC000266192445 373977414 /nfs/dbraw/zinc/97/74/14/373977414.db2.gz BTWDQHRNJOLUIJ-GHMZBOCLSA-N 1 1 264.329 1.909 10 5 CDBEMO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000378457823 374646218 /nfs/dbraw/zinc/64/62/18/374646218.db2.gz CRLQRXPZKIWHRI-SNVBAGLBSA-N 1 1 293.323 1.305 10 5 CDBEMO C[C@@H]1CCOCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000378457823 374646228 /nfs/dbraw/zinc/64/62/28/374646228.db2.gz CRLQRXPZKIWHRI-SNVBAGLBSA-N 1 1 293.323 1.305 10 5 CDBEMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000171275501 376508922 /nfs/dbraw/zinc/50/89/22/376508922.db2.gz FQWNRFJYLFGSFL-NSHDSACASA-N 1 1 293.323 1.427 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000190142657 377556851 /nfs/dbraw/zinc/55/68/51/377556851.db2.gz RQJPWAYDXTUAKA-IINYFYTJSA-N 1 1 291.351 1.989 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000190142657 377556860 /nfs/dbraw/zinc/55/68/60/377556860.db2.gz RQJPWAYDXTUAKA-IINYFYTJSA-N 1 1 291.351 1.989 10 5 CDBEMO C[C@@]12C[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451370027 251694422 /nfs/dbraw/zinc/69/44/22/251694422.db2.gz NZJOLEUGAOZNLM-OSFYFWSMSA-N 1 1 288.351 1.935 10 5 CDBEMO Cc1cnc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419010221 392883779 /nfs/dbraw/zinc/88/37/79/392883779.db2.gz XQUXRBUGFGUSKO-NWDGAFQWSA-N 1 1 294.355 1.190 10 5 CDBEMO Cc1cnc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419010221 392883783 /nfs/dbraw/zinc/88/37/83/392883783.db2.gz 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C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371829150 160055078 /nfs/dbraw/zinc/05/50/78/160055078.db2.gz QUHBQLMVNRTZKG-IUODEOHRSA-N 1 1 291.351 1.672 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371829150 160055079 /nfs/dbraw/zinc/05/50/79/160055079.db2.gz QUHBQLMVNRTZKG-IUODEOHRSA-N 1 1 291.351 1.672 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H](C)C1 ZINC000285529454 196317541 /nfs/dbraw/zinc/31/75/41/196317541.db2.gz FHZSYCPHRQVGML-GXSJLCMTSA-N 1 1 295.343 1.120 10 5 CDBEMO CC[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454685 174267304 /nfs/dbraw/zinc/26/73/04/174267304.db2.gz TZZYCECRICDJBO-SECBINFHSA-N 1 1 251.290 1.139 10 5 CDBEMO C[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3nonc32)C1 ZINC000040673453 174371901 /nfs/dbraw/zinc/37/19/01/174371901.db2.gz NQCOJAYXHHXSKM-QMMMGPOBSA-N 1 1 277.284 1.637 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])ccn1 ZINC000044563220 175206978 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CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000577669986 317379190 /nfs/dbraw/zinc/37/91/90/317379190.db2.gz UGFFBOHKHZEFCT-LLVKDONJSA-N 1 1 294.355 1.840 10 5 CDBEMO CCNc1ccc(C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000050816604 520302618 /nfs/dbraw/zinc/30/26/18/520302618.db2.gz OKHOTEWUFCRFMS-GFCCVEGCSA-N 1 1 279.340 1.983 10 5 CDBEMO CCOC(=O)[C@]([NH3+])(COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000069194144 521348504 /nfs/dbraw/zinc/34/85/04/521348504.db2.gz QJZNHQGNMUUPQW-AWEZNQCLSA-N 1 1 294.307 1.644 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2CCCO)o1 ZINC000052762010 527348641 /nfs/dbraw/zinc/34/86/41/527348641.db2.gz XXGCWJRRHFGHEK-JTQLQIEISA-N 1 1 254.286 1.925 10 5 CDBEMO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000315079160 535086659 /nfs/dbraw/zinc/08/66/59/535086659.db2.gz MWTRLTYHWVHCQA-GFCCVEGCSA-N 1 1 293.323 1.379 10 5 CDBEMO CC1(C)[C@H](O)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000315079160 535086661 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O=C1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1CC1CC1 ZINC000716782723 737806907 /nfs/dbraw/zinc/80/69/07/737806907.db2.gz WGASNKCEMHSUQU-NSHDSACASA-N 1 1 295.364 1.757 10 5 CDBEMO CCON(C)C(=O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000846065665 737908562 /nfs/dbraw/zinc/90/85/62/737908562.db2.gz VGTRJAOWSCOQPS-UHFFFAOYSA-N 1 1 267.285 1.094 10 5 CDBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862627807 738816969 /nfs/dbraw/zinc/81/69/69/738816969.db2.gz LXOPPIMCYPWPKS-YNEHKIRRSA-N 1 1 281.356 1.175 10 5 CDBEMO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000862627807 738816970 /nfs/dbraw/zinc/81/69/70/738816970.db2.gz LXOPPIMCYPWPKS-YNEHKIRRSA-N 1 1 281.356 1.175 10 5 CDBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000862627807 738816971 /nfs/dbraw/zinc/81/69/71/738816971.db2.gz LXOPPIMCYPWPKS-YNEHKIRRSA-N 1 1 281.356 1.175 10 5 CDBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171573752 738844949 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O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000853623127 928059256 /nfs/dbraw/zinc/05/92/56/928059256.db2.gz DZNJHTKBWQCAKD-OKILXGFUSA-N 1 1 292.339 1.641 10 5 CDBEMO CCC[N@@H+](CCNC(C)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001493268727 971997004 /nfs/dbraw/zinc/99/70/04/971997004.db2.gz HPUJFFURHRQLAN-UHFFFAOYSA-N 1 1 279.340 1.943 10 5 CDBEMO CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCCC1 ZINC001316889972 957100356 /nfs/dbraw/zinc/10/03/56/957100356.db2.gz KLLWUQXSPGAWGB-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCC1 ZINC001316889972 957100360 /nfs/dbraw/zinc/10/03/60/957100360.db2.gz KLLWUQXSPGAWGB-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCC1 ZINC001316889972 957100364 /nfs/dbraw/zinc/10/03/64/957100364.db2.gz KLLWUQXSPGAWGB-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@]23CCOC3)cc1 ZINC001331540395 957127136 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CC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001496646482 973011921 /nfs/dbraw/zinc/01/19/21/973011921.db2.gz RVWDFJZWSACTAY-UHFFFAOYSA-N 1 1 265.313 1.505 10 5 CDBEMO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001653448207 1171545927 /nfs/dbraw/zinc/54/59/27/1171545927.db2.gz AYQHKRIFBNUEQT-MPKXVKKWSA-N 1 1 280.324 1.331 10 5 CDBEMO O=[N+]([O-])c1cccnc1N[C@@H]1CCc2c[nH+]cn2C1 ZINC000588067831 342491935 /nfs/dbraw/zinc/49/19/35/342491935.db2.gz TXPYEDTUCSZDLL-SECBINFHSA-N 1 1 259.269 1.613 10 5 CDBEMO O=[N+]([O-])c1ccc2[nH+]ccc(NCC3COC3)c2c1 ZINC000601202701 342492654 /nfs/dbraw/zinc/49/26/54/342492654.db2.gz GMVZYJPFOKLHRT-UHFFFAOYSA-N 1 1 259.265 1.623 10 5 CDBEMO Cc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590441687 342546143 /nfs/dbraw/zinc/54/61/43/342546143.db2.gz DGZDBUNQRCVKAA-GXTWGEPZSA-N 1 1 289.335 1.679 10 5 CDBEMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000366143602 361850916 /nfs/dbraw/zinc/85/09/16/361850916.db2.gz PKZUHBIKWGBHCX-UHFFFAOYSA-N 1 1 278.312 1.158 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000593012290 342751938 /nfs/dbraw/zinc/75/19/38/342751938.db2.gz UZJFTVIZYSZBER-LBPRGKRZSA-N 1 1 294.307 1.338 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2CO)c1 ZINC000593012290 342751940 /nfs/dbraw/zinc/75/19/40/342751940.db2.gz UZJFTVIZYSZBER-LBPRGKRZSA-N 1 1 294.307 1.338 10 5 CDBEMO C[NH2+]CCOCCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000600777665 342248604 /nfs/dbraw/zinc/24/86/04/342248604.db2.gz VTESMNMBWYDFAZ-UHFFFAOYSA-N 1 1 281.356 1.571 10 5 CDBEMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253379 349660332 /nfs/dbraw/zinc/66/03/32/349660332.db2.gz WNIQVMNAYIZNBA-ZYHUDNBSSA-N 1 1 296.302 1.181 10 5 CDBEMO Cc1nn(C)c(NCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000076776210 342323399 /nfs/dbraw/zinc/32/33/99/342323399.db2.gz GCYMZGCMBKLNNY-JTQLQIEISA-N 1 1 281.360 1.923 10 5 CDBEMO CC12CC(C1)C[N@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595915724 343190700 /nfs/dbraw/zinc/19/07/00/343190700.db2.gz MIXYFTICGJXHQZ-UHFFFAOYSA-N 1 1 275.308 1.678 10 5 CDBEMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)nc1 ZINC000599166753 343973553 /nfs/dbraw/zinc/97/35/53/343973553.db2.gz ZWTRYPBULUACFX-LBPRGKRZSA-N 1 1 276.340 1.841 10 5 CDBEMO O=[N+]([O-])c1ccccc1NC1CC([NH+]2CCOCC2)C1 ZINC000599095409 343953852 /nfs/dbraw/zinc/95/38/52/343953852.db2.gz TXKLSNGBVPENGI-UHFFFAOYSA-N 1 1 277.324 1.870 10 5 CDBEMO COC[C@@H]1CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000293475806 362562366 /nfs/dbraw/zinc/56/23/66/362562366.db2.gz FJGPGXHSQHQZME-NSHDSACASA-N 1 1 266.297 1.824 10 5 CDBEMO COC[C@@H]1CC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000293475806 362562369 /nfs/dbraw/zinc/56/23/69/362562369.db2.gz FJGPGXHSQHQZME-NSHDSACASA-N 1 1 266.297 1.824 10 5 CDBEMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000610772456 346404133 /nfs/dbraw/zinc/40/41/33/346404133.db2.gz DOOLKODELODRCU-LLVKDONJSA-N 1 1 290.323 1.204 10 5 CDBEMO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344422225 362767071 /nfs/dbraw/zinc/76/70/71/362767071.db2.gz QDYHCUYITRKUPW-LLVKDONJSA-N 1 1 279.344 1.038 10 5 CDBEMO CC(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000344424041 362768015 /nfs/dbraw/zinc/76/80/15/362768015.db2.gz SRUPYRGLZZASHY-LLVKDONJSA-N 1 1 250.302 1.884 10 5 CDBEMO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1F ZINC000611502335 346806055 /nfs/dbraw/zinc/80/60/55/346806055.db2.gz RLTRJCJMRYLUCE-GXSJLCMTSA-N 1 1 256.281 1.471 10 5 CDBEMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1F ZINC000611502335 346806056 /nfs/dbraw/zinc/80/60/56/346806056.db2.gz RLTRJCJMRYLUCE-GXSJLCMTSA-N 1 1 256.281 1.471 10 5 CDBEMO Nc1ccc([N+](=O)[O-])c(OCCC[NH+]2CCOCC2)c1 ZINC000090598609 180010021 /nfs/dbraw/zinc/01/00/21/180010021.db2.gz IURFJYOZZDLPTA-UHFFFAOYSA-N 1 1 281.312 1.278 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C=O)CC1 ZINC000273015652 192020030 /nfs/dbraw/zinc/02/00/30/192020030.db2.gz 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ZINC000440966914 367332740 /nfs/dbraw/zinc/33/27/40/367332740.db2.gz YZJCPVAWGZKFTP-UHFFFAOYSA-N 1 1 264.285 1.285 10 5 CDBEMO C[N@@H+](CCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000440966914 367332746 /nfs/dbraw/zinc/33/27/46/367332746.db2.gz YZJCPVAWGZKFTP-UHFFFAOYSA-N 1 1 264.285 1.285 10 5 CDBEMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCOC[C@@H](O)C1 ZINC000449415511 374809106 /nfs/dbraw/zinc/80/91/06/374809106.db2.gz PHYWVLUXYFFPBH-DXTPNHAXSA-N 1 1 278.308 1.301 10 5 CDBEMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC[C@@H](O)C1 ZINC000449415511 374809109 /nfs/dbraw/zinc/80/91/09/374809109.db2.gz PHYWVLUXYFFPBH-DXTPNHAXSA-N 1 1 278.308 1.301 10 5 CDBEMO O=[N+]([O-])c1cnccc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000357556161 375916447 /nfs/dbraw/zinc/91/64/47/375916447.db2.gz FOSWSLVKVIDSHK-MRVPVSSYSA-N 1 1 259.269 1.104 10 5 CDBEMO O=[N+]([O-])c1cnccc1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357556161 375916451 /nfs/dbraw/zinc/91/64/51/375916451.db2.gz FOSWSLVKVIDSHK-MRVPVSSYSA-N 1 1 259.269 1.104 10 5 CDBEMO O=[N+]([O-])c1cnccc1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357556161 375916455 /nfs/dbraw/zinc/91/64/55/375916455.db2.gz FOSWSLVKVIDSHK-MRVPVSSYSA-N 1 1 259.269 1.104 10 5 CDBEMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1(CO)CC1 ZINC000444672358 250164098 /nfs/dbraw/zinc/16/40/98/250164098.db2.gz JEIUWNXBUQENSZ-UHFFFAOYSA-N 1 1 290.323 1.675 10 5 CDBEMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1(CO)CC1 ZINC000444672358 250164100 /nfs/dbraw/zinc/16/41/00/250164100.db2.gz JEIUWNXBUQENSZ-UHFFFAOYSA-N 1 1 290.323 1.675 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000449788886 251025281 /nfs/dbraw/zinc/02/52/81/251025281.db2.gz YQCKNFNEZNILNY-JTQLQIEISA-N 1 1 285.369 1.155 10 5 CDBEMO C[C@H]1CC(C)(C)C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000412036879 391062634 /nfs/dbraw/zinc/06/26/34/391062634.db2.gz HHLAAXPPXYHZNH-JQWIXIFHSA-N 1 1 282.344 1.273 10 5 CDBEMO CCn1nncc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000459469352 392441715 /nfs/dbraw/zinc/44/17/15/392441715.db2.gz RZZIRJUYMIDVIB-UHFFFAOYSA-N 1 1 289.339 1.881 10 5 CDBEMO CCn1nncc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000459469352 392441719 /nfs/dbraw/zinc/44/17/19/392441719.db2.gz RZZIRJUYMIDVIB-UHFFFAOYSA-N 1 1 289.339 1.881 10 5 CDBEMO CSC[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548623546 392497449 /nfs/dbraw/zinc/49/74/49/392497449.db2.gz WVMKSAMWTCBNEU-NSHDSACASA-N 1 1 282.365 1.677 10 5 CDBEMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000359771348 158369584 /nfs/dbraw/zinc/36/95/84/158369584.db2.gz DBXNGTJDXYFRCL-JTQLQIEISA-N 1 1 297.359 1.179 10 5 CDBEMO C[N@H+]1CCCN(c2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000008178081 170322850 /nfs/dbraw/zinc/32/28/50/170322850.db2.gz FDAWIQIMIDRYNC-UHFFFAOYSA-N 1 1 263.297 1.549 10 5 CDBEMO C[C@H]([NH2+]CC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000037225241 173045605 /nfs/dbraw/zinc/04/56/05/173045605.db2.gz ZZARKRKNWASUSG-VIFPVBQESA-N 1 1 251.286 1.334 10 5 CDBEMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000038107493 174121686 /nfs/dbraw/zinc/12/16/86/174121686.db2.gz SXAPPFLWYAMKBP-LLVKDONJSA-N 1 1 293.298 1.654 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000040691009 174377302 /nfs/dbraw/zinc/37/73/02/174377302.db2.gz CDPMJNQHOMIZKL-LLVKDONJSA-N 1 1 295.314 1.948 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000247311601 288312802 /nfs/dbraw/zinc/31/28/02/288312802.db2.gz OCBFAPQUMIKMEC-NEPJUHHUSA-N 1 1 289.335 1.904 10 5 CDBEMO COCCOCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153279812 289163074 /nfs/dbraw/zinc/16/30/74/289163074.db2.gz INUPAVGGXPTIQG-UHFFFAOYSA-N 1 1 280.324 1.616 10 5 CDBEMO COCCOCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153279812 289163078 /nfs/dbraw/zinc/16/30/78/289163078.db2.gz INUPAVGGXPTIQG-UHFFFAOYSA-N 1 1 280.324 1.616 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1N1CC[NH+](C2CC2)CC1 ZINC000568931168 294125157 /nfs/dbraw/zinc/12/51/57/294125157.db2.gz HECSLXHRWYFYLN-UHFFFAOYSA-N 1 1 277.324 1.888 10 5 CDBEMO COC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815184 522221120 /nfs/dbraw/zinc/22/11/20/522221120.db2.gz UXPUKYOJNGHFNN-SECBINFHSA-N 1 1 253.302 1.644 10 5 CDBEMO CCC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815777 521667352 /nfs/dbraw/zinc/66/73/52/521667352.db2.gz SMKBSQOMRQKROE-UHFFFAOYSA-N 1 1 253.302 1.381 10 5 CDBEMO COC(=O)[C@]([NH3+])(COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000069194424 524005647 /nfs/dbraw/zinc/00/56/47/524005647.db2.gz BYKRXBLINSVFMZ-ZDUSSCGKSA-N 1 1 280.280 1.254 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000221417642 525461260 /nfs/dbraw/zinc/46/12/60/525461260.db2.gz DLURSQGTLKRXPO-GWCFXTLKSA-N 1 1 280.324 1.806 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000221417642 525461272 /nfs/dbraw/zinc/46/12/72/525461272.db2.gz DLURSQGTLKRXPO-GWCFXTLKSA-N 1 1 280.324 1.806 10 5 CDBEMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000183632329 527458052 /nfs/dbraw/zinc/45/80/52/527458052.db2.gz CGIFAAJQHONKLZ-JTQLQIEISA-N 1 1 291.311 1.302 10 5 CDBEMO CN(C(=O)C[N@@H+]1CC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000761086203 576545632 /nfs/dbraw/zinc/54/56/32/576545632.db2.gz BXFQOVWZJWEBJZ-GXFFZTMASA-N 1 1 275.308 1.652 10 5 CDBEMO CN(C(=O)C[N@H+]1CC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000761086203 576545636 /nfs/dbraw/zinc/54/56/36/576545636.db2.gz BXFQOVWZJWEBJZ-GXFFZTMASA-N 1 1 275.308 1.652 10 5 CDBEMO C[C@H]1[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928439244 619083218 /nfs/dbraw/zinc/08/32/18/619083218.db2.gz LHRZFDRWHVJXLM-SMDDNHRTSA-N 1 1 291.351 1.736 10 5 CDBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCCC1 ZINC000905906023 627032713 /nfs/dbraw/zinc/03/27/13/627032713.db2.gz QJZFUFSTLMWUSH-CQSZACIVSA-N 1 1 294.351 1.693 10 5 CDBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCCC1 ZINC000905906023 627032716 /nfs/dbraw/zinc/03/27/16/627032716.db2.gz QJZFUFSTLMWUSH-CQSZACIVSA-N 1 1 294.351 1.693 10 5 CDBEMO C[N@H+]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001639135514 1166903868 /nfs/dbraw/zinc/90/38/68/1166903868.db2.gz ISFGDGJDAUULBE-CYBMUJFWSA-N 1 1 291.351 1.594 10 5 CDBEMO CC[C@@H](CO)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC001648339164 1169122683 /nfs/dbraw/zinc/12/26/83/1169122683.db2.gz AHBNXGCLGQVMJF-JTQLQIEISA-N 1 1 292.295 1.505 10 5 CDBEMO C[C@H]1C[C@@H](Nc2nn(C)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001651638466 1171338794 /nfs/dbraw/zinc/33/87/94/1171338794.db2.gz GHAVVQAYKOOEKR-DTWKUNHWSA-N 1 1 265.317 1.365 10 5 CDBEMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@]12CCC[C@H]1OCC2 ZINC001655131123 1171670272 /nfs/dbraw/zinc/67/02/72/1171670272.db2.gz TUMZBLMCUSFTHV-ZIAGYGMSSA-N 1 1 294.355 1.682 10 5 CDBEMO Cc1noc(C[N@@H+]2CC[C@@H](c3cnccn3)C2)c1[N+](=O)[O-] ZINC001660352319 1172202785 /nfs/dbraw/zinc/20/27/85/1172202785.db2.gz NTUNDDAZAFIMSK-SNVBAGLBSA-N 1 1 289.295 1.671 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@@H](c3cnccn3)C2)c1[N+](=O)[O-] ZINC001660352319 1172202792 /nfs/dbraw/zinc/20/27/92/1172202792.db2.gz NTUNDDAZAFIMSK-SNVBAGLBSA-N 1 1 289.295 1.671 10 5 CDBEMO CC(C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731769958 1182563062 /nfs/dbraw/zinc/56/30/62/1182563062.db2.gz KTQCBDQAYFHZNN-VXGBXAGGSA-N 1 1 271.361 1.136 10 5 CDBEMO CC(C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731769958 1182563064 /nfs/dbraw/zinc/56/30/64/1182563064.db2.gz KTQCBDQAYFHZNN-VXGBXAGGSA-N 1 1 271.361 1.136 10 5 CDBEMO CC(C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731769958 1182563067 /nfs/dbraw/zinc/56/30/67/1182563067.db2.gz KTQCBDQAYFHZNN-VXGBXAGGSA-N 1 1 271.361 1.136 10 5 CDBEMO C[C@@H]([NH2+]C[C@@H]1CCCS1(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000126885581 739591746 /nfs/dbraw/zinc/59/17/46/739591746.db2.gz JBCCDTCZIDLFHW-MNOVXSKESA-N 1 1 298.364 1.823 10 5 CDBEMO CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000812879185 739663012 /nfs/dbraw/zinc/66/30/12/739663012.db2.gz MWLBYJGBTVFJMP-KBPBESRZSA-N 1 1 280.324 1.739 10 5 CDBEMO CCn1ncc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000863562010 740771880 /nfs/dbraw/zinc/77/18/80/740771880.db2.gz GPVHLTBLRWNKDF-ZDUSSCGKSA-N 1 1 291.311 1.029 10 5 CDBEMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000865999260 740810094 /nfs/dbraw/zinc/81/00/94/740810094.db2.gz LPMUKWGCRZZKIB-VIFPVBQESA-N 1 1 285.369 1.913 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000782290933 740821495 /nfs/dbraw/zinc/82/14/95/740821495.db2.gz QHPSITGBQFHCBZ-CYBMUJFWSA-N 1 1 287.323 1.708 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000782290933 740821496 /nfs/dbraw/zinc/82/14/96/740821496.db2.gz QHPSITGBQFHCBZ-CYBMUJFWSA-N 1 1 287.323 1.708 10 5 CDBEMO CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000823261325 740911123 /nfs/dbraw/zinc/91/11/23/740911123.db2.gz BRIYIAPMLPMDPR-LBPRGKRZSA-N 1 1 283.372 1.517 10 5 CDBEMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000852502411 741291713 /nfs/dbraw/zinc/29/17/13/741291713.db2.gz DMEKBWYGLDABMD-BVIHXZOGSA-N 1 1 294.351 1.577 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000846223188 741470420 /nfs/dbraw/zinc/47/04/20/741470420.db2.gz IQAFVLZINYZVBK-AWEZNQCLSA-N 1 1 277.324 1.628 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928458905 741846905 /nfs/dbraw/zinc/84/69/05/741846905.db2.gz ZEWRPRUTMWMJJO-BXKDBHETSA-N 1 1 263.297 1.417 10 5 CDBEMO CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000812879190 741870817 /nfs/dbraw/zinc/87/08/17/741870817.db2.gz MWLBYJGBTVFJMP-ZIAGYGMSSA-N 1 1 280.324 1.739 10 5 CDBEMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC3(CC3(F)F)C2)cc1 ZINC000848674183 741924662 /nfs/dbraw/zinc/92/46/62/741924662.db2.gz NYMYABDFFMMZFN-LLVKDONJSA-N 1 1 284.262 1.969 10 5 CDBEMO Cc1ccc(C[NH2+][C@@H](C)c2cnnn2C)cc1[N+](=O)[O-] ZINC000926797926 740605350 /nfs/dbraw/zinc/60/53/50/740605350.db2.gz WUYNTLYFVDPZLA-JTQLQIEISA-N 1 1 275.312 1.883 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928448227 742316158 /nfs/dbraw/zinc/31/61/58/742316158.db2.gz BRGQTVUJCRPPNH-SKDRFNHKSA-N 1 1 293.323 1.426 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266273497 894038385 /nfs/dbraw/zinc/03/83/85/894038385.db2.gz UMAKQWLYEIUKJH-CHWSQXEVSA-N 1 1 295.314 1.039 10 5 CDBEMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266273497 894038398 /nfs/dbraw/zinc/03/83/98/894038398.db2.gz UMAKQWLYEIUKJH-CHWSQXEVSA-N 1 1 295.314 1.039 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001266273497 894038421 /nfs/dbraw/zinc/03/84/21/894038421.db2.gz UMAKQWLYEIUKJH-CHWSQXEVSA-N 1 1 295.314 1.039 10 5 CDBEMO CC(C)C[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001486368457 920944848 /nfs/dbraw/zinc/94/48/48/920944848.db2.gz OJNJYPHMQIHYGX-CHWSQXEVSA-N 1 1 285.388 1.476 10 5 CDBEMO CC(C)C[N@H+](C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001486368457 920944868 /nfs/dbraw/zinc/94/48/68/920944868.db2.gz OJNJYPHMQIHYGX-CHWSQXEVSA-N 1 1 285.388 1.476 10 5 CDBEMO CC(C)C[N@@H+](C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001486368457 920944884 /nfs/dbraw/zinc/94/48/84/920944884.db2.gz OJNJYPHMQIHYGX-CHWSQXEVSA-N 1 1 285.388 1.476 10 5 CDBEMO Cc1noc(C[N@H+]2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)c1[N+](=O)[O-] ZINC001195596296 924662849 /nfs/dbraw/zinc/66/28/49/924662849.db2.gz LPZIYTFBFNBGTP-JEZHCXPESA-N 1 1 296.327 1.366 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)c1 ZINC001198686031 925500344 /nfs/dbraw/zinc/50/03/44/925500344.db2.gz PZTVAGWEAWOIQO-ZIAGYGMSSA-N 1 1 294.355 1.825 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)CC[C@@H]1CO ZINC001473755066 970843771 /nfs/dbraw/zinc/84/37/71/970843771.db2.gz MCGRMJPYMKTYBV-ZWNOBZJWSA-N 1 1 280.324 1.949 10 5 CDBEMO CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001265476762 944402895 /nfs/dbraw/zinc/40/28/95/944402895.db2.gz OZUNTRKXGZQFBA-YORYTSGFSA-N 1 1 295.383 1.635 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001351335404 966915079 /nfs/dbraw/zinc/91/50/79/966915079.db2.gz BWMYNSOZGAKWHE-UHFFFAOYSA-N 1 1 260.253 1.738 10 5 CDBEMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3cc([N+](=O)[O-])n[nH]3)C[N@H+]2C1 ZINC001455732575 968790763 /nfs/dbraw/zinc/79/07/63/968790763.db2.gz YJUZSKSGHNEBHU-BBBLOLIVSA-N 1 1 293.327 1.377 10 5 CDBEMO O=C1OC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]12 ZINC001460567892 969522904 /nfs/dbraw/zinc/52/29/04/969522904.db2.gz ORPQERQNJUZZJT-ONGXEEELSA-N 1 1 296.710 1.853 10 5 CDBEMO O=C1OC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]12 ZINC001460567892 969522909 /nfs/dbraw/zinc/52/29/09/969522909.db2.gz ORPQERQNJUZZJT-ONGXEEELSA-N 1 1 296.710 1.853 10 5 CDBEMO CCCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001495917707 972702339 /nfs/dbraw/zinc/70/23/39/972702339.db2.gz VNINCODKKJBWGB-VXGBXAGGSA-N 1 1 283.372 1.470 10 5 CDBEMO COCC[N@H+]1CCC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601111261 342468830 /nfs/dbraw/zinc/46/88/30/342468830.db2.gz PVNIYTQVHURZJK-NSHDSACASA-N 1 1 298.318 1.652 10 5 CDBEMO C[C@H](CO)[C@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601121383 342471277 /nfs/dbraw/zinc/47/12/77/342471277.db2.gz NDZMVSTZZXWHLD-ZJUUUORDSA-N 1 1 275.308 1.994 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590010909 342519570 /nfs/dbraw/zinc/51/95/70/342519570.db2.gz CBNAHJWUCLTJFP-DOMZBBRYSA-N 1 1 291.351 1.610 10 5 CDBEMO CN1C[C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590010909 342519571 /nfs/dbraw/zinc/51/95/71/342519571.db2.gz CBNAHJWUCLTJFP-DOMZBBRYSA-N 1 1 291.351 1.610 10 5 CDBEMO CN1C[C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590010909 342519572 /nfs/dbraw/zinc/51/95/72/342519572.db2.gz CBNAHJWUCLTJFP-DOMZBBRYSA-N 1 1 291.351 1.610 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000590446429 342546769 /nfs/dbraw/zinc/54/67/69/342546769.db2.gz VEVDAKZHCXOYCB-JSGCOSHPSA-N 1 1 289.335 1.300 10 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/nfs/dbraw/zinc/13/19/89/344131989.db2.gz ZETKPISPZVQYNI-HNNXBMFYSA-N 1 1 294.351 1.875 10 5 CDBEMO COC[C@]1(C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599695925 344131990 /nfs/dbraw/zinc/13/19/90/344131990.db2.gz ZETKPISPZVQYNI-HNNXBMFYSA-N 1 1 294.351 1.875 10 5 CDBEMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000107824058 186193844 /nfs/dbraw/zinc/19/38/44/186193844.db2.gz GHISWTYZAGGCCE-SECBINFHSA-N 1 1 282.271 1.729 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000107824058 186193846 /nfs/dbraw/zinc/19/38/46/186193846.db2.gz GHISWTYZAGGCCE-SECBINFHSA-N 1 1 282.271 1.729 10 5 CDBEMO Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000108945599 186237166 /nfs/dbraw/zinc/23/71/66/186237166.db2.gz NDFUWZXSXIMMQD-GFCCVEGCSA-N 1 1 265.313 1.646 10 5 CDBEMO Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000108945599 186237168 /nfs/dbraw/zinc/23/71/68/186237168.db2.gz NDFUWZXSXIMMQD-GFCCVEGCSA-N 1 1 265.313 1.646 10 5 CDBEMO Nc1ccc(N2CC[N@H+]3CCCC[C@H]3C2)nc1[N+](=O)[O-] ZINC000312525728 350783527 /nfs/dbraw/zinc/78/35/27/350783527.db2.gz PDVZUBVWJVZYDD-JTQLQIEISA-N 1 1 277.328 1.247 10 5 CDBEMO COCC[N@H+]1CCC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000068910814 351133365 /nfs/dbraw/zinc/13/33/65/351133365.db2.gz ZLDHNQOIXCOIKQ-LLVKDONJSA-N 1 1 280.328 1.513 10 5 CDBEMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000290559560 357221912 /nfs/dbraw/zinc/22/19/12/357221912.db2.gz AECXKRZZDUIAQX-SECBINFHSA-N 1 1 295.343 1.229 10 5 CDBEMO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CC3)CC2)c1 ZINC000192785968 358235673 /nfs/dbraw/zinc/23/56/73/358235673.db2.gz XYVAOHWLSAISNJ-UHFFFAOYSA-N 1 1 262.313 1.461 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000567061815 358623412 /nfs/dbraw/zinc/62/34/12/358623412.db2.gz GWLPIPUYSJACHU-NSHDSACASA-N 1 1 295.339 1.106 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000567061815 358623415 /nfs/dbraw/zinc/62/34/15/358623415.db2.gz GWLPIPUYSJACHU-NSHDSACASA-N 1 1 295.339 1.106 10 5 CDBEMO O=C1NCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000050395419 359440006 /nfs/dbraw/zinc/44/00/06/359440006.db2.gz OWUFQSNWJRWFRI-QMMMGPOBSA-N 1 1 255.299 1.025 10 5 CDBEMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccncc1[N+](=O)[O-] ZINC000340155364 359579600 /nfs/dbraw/zinc/57/96/00/359579600.db2.gz RZMXODNEOLAIBE-RYUDHWBXSA-N 1 1 278.356 1.944 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1CCCC[C@H]1O)CC2 ZINC000347778419 359635493 /nfs/dbraw/zinc/63/54/93/359635493.db2.gz CWMDNNNSXRIFJV-ZIAGYGMSSA-N 1 1 277.324 1.651 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@@H]1CCCC[C@H]1O)CC2 ZINC000347778419 359635498 /nfs/dbraw/zinc/63/54/98/359635498.db2.gz CWMDNNNSXRIFJV-ZIAGYGMSSA-N 1 1 277.324 1.651 10 5 CDBEMO CN(CCn1cccn1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338997196 361194253 /nfs/dbraw/zinc/19/42/53/361194253.db2.gz UXOKMXRAHCJNBQ-UHFFFAOYSA-N 1 1 276.296 1.629 10 5 CDBEMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000304796630 239365536 /nfs/dbraw/zinc/36/55/36/239365536.db2.gz MVDYPSLENMTVRW-MBNYWOFBSA-N 1 1 294.355 1.274 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275398265 193022204 /nfs/dbraw/zinc/02/22/04/193022204.db2.gz AYIKWXBJGNTNCS-SECBINFHSA-N 1 1 276.300 1.199 10 5 CDBEMO O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420404683 244206215 /nfs/dbraw/zinc/20/62/15/244206215.db2.gz SHYAXGSVQFCNNT-OLZOCXBDSA-N 1 1 293.371 1.255 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCCO ZINC000276398813 193314967 /nfs/dbraw/zinc/31/49/67/193314967.db2.gz OFJCCCVIFMFFIR-UHFFFAOYSA-N 1 1 295.339 1.546 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCCO ZINC000276398813 193314969 /nfs/dbraw/zinc/31/49/69/193314969.db2.gz OFJCCCVIFMFFIR-UHFFFAOYSA-N 1 1 295.339 1.546 10 5 CDBEMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000266192520 373977770 /nfs/dbraw/zinc/97/77/70/373977770.db2.gz BWBASXVIGBZJGR-MNOVXSKESA-N 1 1 264.329 1.909 10 5 CDBEMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531878442 374514284 /nfs/dbraw/zinc/51/42/84/374514284.db2.gz MEIFVVCFISLRLG-NSHDSACASA-N 1 1 292.339 1.452 10 5 CDBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459645582 392496067 /nfs/dbraw/zinc/49/60/67/392496067.db2.gz LPKVVLYTBANGRW-FZMZJTMJSA-N 1 1 280.324 1.475 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](O)(CO)C1 ZINC000459644277 392496278 /nfs/dbraw/zinc/49/62/78/392496278.db2.gz DNEIWMLZQDKLDF-SMDDNHRTSA-N 1 1 280.324 1.475 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184730751 148368614 /nfs/dbraw/zinc/36/86/14/148368614.db2.gz HUISSQNJXJAUKL-CYZMBNFOSA-N 1 1 280.324 1.392 10 5 CDBEMO COc1cc(C[N@H+]2CCCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305814709 149168256 /nfs/dbraw/zinc/16/82/56/149168256.db2.gz JKYOFWLMDPRHEA-LBPRGKRZSA-N 1 1 280.324 1.950 10 5 CDBEMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000351971099 154868292 /nfs/dbraw/zinc/86/82/92/154868292.db2.gz OPNKZKXZGFZBHP-NSHDSACASA-N 1 1 294.307 1.598 10 5 CDBEMO C[NH+](C)CCCNCCOc1ccc([N+](=O)[O-])cc1 ZINC000038079381 174089607 /nfs/dbraw/zinc/08/96/07/174089607.db2.gz NTBORXWMVCAKNN-UHFFFAOYSA-N 1 1 267.329 1.515 10 5 CDBEMO CN(C)CCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079381 174089609 /nfs/dbraw/zinc/08/96/09/174089609.db2.gz NTBORXWMVCAKNN-UHFFFAOYSA-N 1 1 267.329 1.515 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000352026103 278310824 /nfs/dbraw/zinc/31/08/24/278310824.db2.gz DODZAKSWQBGKSB-DFBGVHRSSA-N 1 1 291.351 1.671 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000352026103 278310825 /nfs/dbraw/zinc/31/08/25/278310825.db2.gz DODZAKSWQBGKSB-DFBGVHRSSA-N 1 1 291.351 1.671 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194724568 280051450 /nfs/dbraw/zinc/05/14/50/280051450.db2.gz DJMSAPBSHXAKEW-NSHDSACASA-N 1 1 293.323 1.427 10 5 CDBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2nncc2C1 ZINC000570583234 294268166 /nfs/dbraw/zinc/26/81/66/294268166.db2.gz ZYVYNPBWVSIHRM-HWKANZROSA-N 1 1 285.307 1.715 10 5 CDBEMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2nncc2C1 ZINC000570583234 294268169 /nfs/dbraw/zinc/26/81/69/294268169.db2.gz ZYVYNPBWVSIHRM-HWKANZROSA-N 1 1 285.307 1.715 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000183272779 323326569 /nfs/dbraw/zinc/32/65/69/323326569.db2.gz CRQBFSRRMRDDDG-WCQYABFASA-N 1 1 291.351 1.989 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000062541087 521071698 /nfs/dbraw/zinc/07/16/98/521071698.db2.gz KANGDOSZOUCJSB-NSHDSACASA-N 1 1 268.269 1.254 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000050708141 521622842 /nfs/dbraw/zinc/62/28/42/521622842.db2.gz QCGKIFYURSWLHA-LLVKDONJSA-N 1 1 292.339 1.391 10 5 CDBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCC[C@H](O)C1 ZINC000062727273 527397167 /nfs/dbraw/zinc/39/71/67/527397167.db2.gz RSLFLFCOMNVUGU-LBPRGKRZSA-N 1 1 250.298 1.594 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CO ZINC000050816568 527504120 /nfs/dbraw/zinc/50/41/20/527504120.db2.gz GHBLZPFWFQMEQF-LLVKDONJSA-N 1 1 251.286 1.134 10 5 CDBEMO COc1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000305849505 536753590 /nfs/dbraw/zinc/75/35/90/536753590.db2.gz UJYVINDBPRRJLR-LLVKDONJSA-N 1 1 266.297 1.560 10 5 CDBEMO COc1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000305849505 536753596 /nfs/dbraw/zinc/75/35/96/536753596.db2.gz UJYVINDBPRRJLR-LLVKDONJSA-N 1 1 266.297 1.560 10 5 CDBEMO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cscn2)cc1 ZINC000731678989 575059353 /nfs/dbraw/zinc/05/93/53/575059353.db2.gz VLUDXOWZKYZRCY-GFCCVEGCSA-N 1 1 279.321 1.875 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(C(=O)OCC[C@H]2CCCC[N@H+]2C)n1 ZINC000772062222 575656687 /nfs/dbraw/zinc/65/66/87/575656687.db2.gz UNNOMXBKOYZLPL-SNVBAGLBSA-N 1 1 296.327 1.360 10 5 CDBEMO Cn1cc(CN2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])n1 ZINC000931317945 617713550 /nfs/dbraw/zinc/71/35/50/617713550.db2.gz QWCSLXHGAQHSCB-OKILXGFUSA-N 1 1 293.371 1.102 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928442768 619087748 /nfs/dbraw/zinc/08/77/48/619087748.db2.gz BYIMTICVFROBNK-GHMZBOCLSA-N 1 1 292.339 1.216 10 5 CDBEMO Cc1nc(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000896912743 620302943 /nfs/dbraw/zinc/30/29/43/620302943.db2.gz FRXJHLHZLWXXGT-RISCZKNCSA-N 1 1 276.340 1.686 10 5 CDBEMO C[NH2+]CCN(Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000903573597 626029195 /nfs/dbraw/zinc/02/91/95/626029195.db2.gz DDLBDVFWSAFCTJ-UHFFFAOYSA-N 1 1 267.329 1.730 10 5 CDBEMO CC[N@@H+](C)C[C@@H]1CCN(c2nn(C)cc2[N+](=O)[O-])C1 ZINC001612058164 1165508297 /nfs/dbraw/zinc/50/82/97/1165508297.db2.gz NAZCDCYHFHVMAZ-JTQLQIEISA-N 1 1 267.333 1.106 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001643180256 1167232931 /nfs/dbraw/zinc/23/29/31/1167232931.db2.gz PRGFJNFAYJPKHV-NWDGAFQWSA-N 1 1 293.371 1.793 10 5 CDBEMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001596460723 1174238485 /nfs/dbraw/zinc/23/84/85/1174238485.db2.gz AWPKIKKDQSSXLR-VHSXEESVSA-N 1 1 292.339 1.342 10 5 CDBEMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001596460723 1174238490 /nfs/dbraw/zinc/23/84/90/1174238490.db2.gz AWPKIKKDQSSXLR-VHSXEESVSA-N 1 1 292.339 1.342 10 5 CDBEMO CC(C)(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716293154 1180146220 /nfs/dbraw/zinc/14/62/20/1180146220.db2.gz XUIDARBZGSYRMB-GKUNOOHESA-N 1 1 283.372 1.350 10 5 CDBEMO CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001731475969 1182407512 /nfs/dbraw/zinc/40/75/12/1182407512.db2.gz GTNSDOFZBHKHCF-YVECIDJPSA-N 1 1 283.372 1.325 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ccc(N)c([N+](=O)[O-])n3)CC[C@H]21 ZINC000866208730 745060179 /nfs/dbraw/zinc/06/01/79/745060179.db2.gz OBGNWIPPJVSQCK-MWLCHTKSSA-N 1 1 277.328 1.102 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865466523 745859915 /nfs/dbraw/zinc/85/99/15/745859915.db2.gz JJXPENWYWLAEHZ-JTQLQIEISA-N 1 1 283.303 1.732 10 5 CDBEMO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000870272228 745934662 /nfs/dbraw/zinc/93/46/62/745934662.db2.gz FWUYZWGOHZEVOB-CHWSQXEVSA-N 1 1 295.383 1.519 10 5 CDBEMO O=C1OC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000860159310 746354553 /nfs/dbraw/zinc/35/45/53/746354553.db2.gz CYQVYHGCLSJDJX-RKDXNWHRSA-N 1 1 280.255 1.339 10 5 CDBEMO O=C1OC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]12 ZINC000860159310 746354559 /nfs/dbraw/zinc/35/45/59/746354559.db2.gz CYQVYHGCLSJDJX-RKDXNWHRSA-N 1 1 280.255 1.339 10 5 CDBEMO C[C@]12COC[C@@H]1C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852534734 746474410 /nfs/dbraw/zinc/47/44/10/746474410.db2.gz OTZPJVNLQXEKPC-QEJZJMRPSA-N 1 1 292.335 1.597 10 5 CDBEMO C[N@H+]1CCn2nc(NCc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000865846543 746629589 /nfs/dbraw/zinc/62/95/89/746629589.db2.gz VTEPRGHIVCKSSG-UHFFFAOYSA-N 1 1 287.323 1.849 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[C@H]21 ZINC000866204878 746646629 /nfs/dbraw/zinc/64/66/29/746646629.db2.gz HHYVAHOXUHQUAW-CMPLNLGQSA-N 1 1 262.313 1.520 10 5 CDBEMO O=c1c([N+](=O)[O-])cccn1Cc1[nH+]ccn1CC(F)F ZINC000871651485 747888797 /nfs/dbraw/zinc/88/87/97/747888797.db2.gz FLOZZGQEMMCYBX-UHFFFAOYSA-N 1 1 284.222 1.266 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928438539 748342911 /nfs/dbraw/zinc/34/29/11/748342911.db2.gz KBWCKFPEEAWZIZ-PRHODGIISA-N 1 1 279.296 1.123 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928438539 748342937 /nfs/dbraw/zinc/34/29/37/748342937.db2.gz KBWCKFPEEAWZIZ-PRHODGIISA-N 1 1 279.296 1.123 10 5 CDBEMO CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001269545176 903914375 /nfs/dbraw/zinc/91/43/75/903914375.db2.gz GOXQCCALZRKIGF-CHWSQXEVSA-N 1 1 295.383 1.636 10 5 CDBEMO Cc1n[nH]c(C(=O)NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC001141891704 936952976 /nfs/dbraw/zinc/95/29/76/936952976.db2.gz FTVLKQFFCLSICL-UHFFFAOYSA-N 1 1 295.343 1.231 10 5 CDBEMO C[C@@H]1CC[C@H](CO)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000880440805 929678618 /nfs/dbraw/zinc/67/86/18/929678618.db2.gz JLPIELFSZQJXSG-BXUZGUMPSA-N 1 1 264.325 1.983 10 5 CDBEMO C[C@@H](CO)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000309583111 941052878 /nfs/dbraw/zinc/05/28/78/941052878.db2.gz QZBIAXRFEUUPJZ-ZETCQYMHSA-N 1 1 289.129 1.828 10 5 CDBEMO CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001568742414 1169458939 /nfs/dbraw/zinc/45/89/39/1169458939.db2.gz RVOCMRRTQFXKPL-CHWSQXEVSA-N 1 1 299.415 1.916 10 5 CDBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001473694124 970836523 /nfs/dbraw/zinc/83/65/23/970836523.db2.gz ZIHQLRHTCGBDGF-NHCYSSNCSA-N 1 1 276.292 1.761 10 5 CDBEMO CC(C)(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001479367909 971313878 /nfs/dbraw/zinc/31/38/78/971313878.db2.gz UEUYYLSNBIHEMS-FDYHWXHSSA-N 1 1 297.399 1.572 10 5 CDBEMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+]1C ZINC001294200889 954474035 /nfs/dbraw/zinc/47/40/35/954474035.db2.gz AWGAFNMRIFBVBD-NXEZZACHSA-N 1 1 292.339 1.390 10 5 CDBEMO CO[C@@](C)(CO)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601187157 342489414 /nfs/dbraw/zinc/48/94/14/342489414.db2.gz PGPGLLWGYHZHOA-CQSZACIVSA-N 1 1 291.307 1.374 10 5 CDBEMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000593062211 342761045 /nfs/dbraw/zinc/76/10/45/342761045.db2.gz CKOZDBJZZAUGFO-QWHCGFSZSA-N 1 1 296.323 1.185 10 5 CDBEMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000593062211 342761046 /nfs/dbraw/zinc/76/10/46/342761046.db2.gz CKOZDBJZZAUGFO-QWHCGFSZSA-N 1 1 296.323 1.185 10 5 CDBEMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000593061558 342761082 /nfs/dbraw/zinc/76/10/82/342761082.db2.gz SDXGQIKHTNAQJO-QWHCGFSZSA-N 1 1 280.324 1.485 10 5 CDBEMO C[C@@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725589 342829400 /nfs/dbraw/zinc/82/94/00/342829400.db2.gz RXIIYBRVWZWZHG-SECBINFHSA-N 1 1 251.286 1.094 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000593727684 342829662 /nfs/dbraw/zinc/82/96/62/342829662.db2.gz QIXVYAIJFPCHSK-HNNXBMFYSA-N 1 1 291.351 1.876 10 5 CDBEMO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594597037 342923778 /nfs/dbraw/zinc/92/37/78/342923778.db2.gz CDGXUJPDCVDRBW-YPMHNXCESA-N 1 1 276.340 1.841 10 5 CDBEMO Cc1noc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595525825 343089271 /nfs/dbraw/zinc/08/92/71/343089271.db2.gz IRGUYUSIZFTTFG-CYBMUJFWSA-N 1 1 281.312 1.894 10 5 CDBEMO Cc1noc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000595525825 343089273 /nfs/dbraw/zinc/08/92/73/343089273.db2.gz IRGUYUSIZFTTFG-CYBMUJFWSA-N 1 1 281.312 1.894 10 5 CDBEMO CC[C@@H](CO)[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000078523479 342338071 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C[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000052522303 346445485 /nfs/dbraw/zinc/44/54/85/346445485.db2.gz UEUORFFKQYPJFY-GFCCVEGCSA-N 1 1 292.339 1.488 10 5 CDBEMO O=[N+]([O-])c1cnc(Nc2cnn(-c3cc[nH+]cc3)c2)nc1 ZINC000612780504 347282976 /nfs/dbraw/zinc/28/29/76/347282976.db2.gz ABKJAENPGUWHEM-UHFFFAOYSA-N 1 1 283.251 1.709 10 5 CDBEMO CCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000074258603 349208595 /nfs/dbraw/zinc/20/85/95/349208595.db2.gz OCARTDATKNUMJX-UHFFFAOYSA-N 1 1 264.329 1.912 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364312220 362979013 /nfs/dbraw/zinc/97/90/13/362979013.db2.gz BMGFRFBCLCRMCC-LBPRGKRZSA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364312220 362979015 /nfs/dbraw/zinc/97/90/15/362979015.db2.gz BMGFRFBCLCRMCC-LBPRGKRZSA-N 1 1 266.272 1.691 10 5 CDBEMO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000155804312 188227680 /nfs/dbraw/zinc/22/76/80/188227680.db2.gz 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CDBEMO CN(CC(C)(C)C[NH2+]CC1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001282295051 901921410 /nfs/dbraw/zinc/92/14/10/901921410.db2.gz MPSDWBSXPINQNC-CHWSQXEVSA-N 1 1 297.399 1.526 10 5 CDBEMO Cn1cc([C@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001193155009 923502166 /nfs/dbraw/zinc/50/21/66/923502166.db2.gz RCBZWTLMWUAEAM-ZDUSSCGKSA-N 1 1 276.296 1.152 10 5 CDBEMO C[C@@H](O)C[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001194641431 924291895 /nfs/dbraw/zinc/29/18/95/924291895.db2.gz YTZMTAHQSPBYEC-SECBINFHSA-N 1 1 292.295 1.457 10 5 CDBEMO C[C@@H](O)C[N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001194641431 924291900 /nfs/dbraw/zinc/29/19/00/924291900.db2.gz YTZMTAHQSPBYEC-SECBINFHSA-N 1 1 292.295 1.457 10 5 CDBEMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001142620994 937040367 /nfs/dbraw/zinc/04/03/67/937040367.db2.gz VQLANJVSRHMLKW-NSHDSACASA-N 1 1 292.339 1.343 10 5 CDBEMO CON1CC[C@H]([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000930442712 933376952 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O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@]23CCOC3)c1 ZINC001345216047 964636294 /nfs/dbraw/zinc/63/62/94/964636294.db2.gz TUCKLTRPZIWSCC-KBPBESRZSA-N 1 1 278.308 1.493 10 5 CDBEMO C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1C ZINC001620944246 1174171577 /nfs/dbraw/zinc/17/15/77/1174171577.db2.gz KATHSLOGJPJGCV-QWRGUYRKSA-N 1 1 271.361 1.421 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590012758 342520028 /nfs/dbraw/zinc/52/00/28/342520028.db2.gz XWDQPCBTYLAJNF-DZGCQCFKSA-N 1 1 275.352 1.773 10 5 CDBEMO CN1C[C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590012758 342520029 /nfs/dbraw/zinc/52/00/29/342520029.db2.gz XWDQPCBTYLAJNF-DZGCQCFKSA-N 1 1 275.352 1.773 10 5 CDBEMO CN1C[C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590012758 342520030 /nfs/dbraw/zinc/52/00/30/342520030.db2.gz XWDQPCBTYLAJNF-DZGCQCFKSA-N 1 1 275.352 1.773 10 5 CDBEMO Cc1c(CN2C[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000601325441 342553469 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O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cn[nH]c1)CC2 ZINC000595425026 343056460 /nfs/dbraw/zinc/05/64/60/343056460.db2.gz RAPQXIFNESCPDA-UHFFFAOYSA-N 1 1 259.269 1.271 10 5 CDBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000595835106 343171130 /nfs/dbraw/zinc/17/11/30/343171130.db2.gz ULAZOKHMEOSAIE-QWHCGFSZSA-N 1 1 292.335 1.942 10 5 CDBEMO O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570049 343344991 /nfs/dbraw/zinc/34/49/91/343344991.db2.gz IACRKZWYBVWVHO-ZDUSSCGKSA-N 1 1 290.367 1.946 10 5 CDBEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093437250 342428564 /nfs/dbraw/zinc/42/85/64/342428564.db2.gz BTPVIUJBCQGFFS-DGCLKSJQSA-N 1 1 291.351 1.969 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093437250 342428565 /nfs/dbraw/zinc/42/85/65/342428565.db2.gz BTPVIUJBCQGFFS-DGCLKSJQSA-N 1 1 291.351 1.969 10 5 CDBEMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CC[N@@H+](C)C1 ZINC000597946934 343676205 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C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265675667 362571342 /nfs/dbraw/zinc/57/13/42/362571342.db2.gz ZHDVXSMWWISCGK-ZWNOBZJWSA-N 1 1 277.324 1.818 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCCO ZINC000265759695 362596684 /nfs/dbraw/zinc/59/66/84/362596684.db2.gz ATWGLSJZEMPXBG-NSHDSACASA-N 1 1 268.313 1.597 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000610667809 346337027 /nfs/dbraw/zinc/33/70/27/346337027.db2.gz LRCRCVNFUVLBSD-CYBMUJFWSA-N 1 1 291.351 1.738 10 5 CDBEMO C[N@@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344428834 362775767 /nfs/dbraw/zinc/77/57/67/362775767.db2.gz HRHJHZJBTFZJAG-UHFFFAOYSA-N 1 1 294.355 1.273 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364510584 363040005 /nfs/dbraw/zinc/04/00/05/363040005.db2.gz ONXLLSIVRHTKFQ-AWEZNQCLSA-N 1 1 287.323 1.942 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000154231942 188130999 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O=[N+]([O-])c1ccccc1CNC[C@H]1CCCC[N@@H+]1CCO ZINC000449390297 374806542 /nfs/dbraw/zinc/80/65/42/374806542.db2.gz GETOCAARHDALMO-CQSZACIVSA-N 1 1 293.367 1.531 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CCO)[C@H](C)C1 ZINC000331123040 374890683 /nfs/dbraw/zinc/89/06/83/374890683.db2.gz BUQLSWFYFGVHGT-CHWSQXEVSA-N 1 1 293.367 1.654 10 5 CDBEMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000124776866 374846722 /nfs/dbraw/zinc/84/67/22/374846722.db2.gz BIVZLFFGFFHZAI-GFCCVEGCSA-N 1 1 291.351 1.975 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000471802962 375056416 /nfs/dbraw/zinc/05/64/16/375056416.db2.gz DYSJGIHJQMUMFW-GXFFZTMASA-N 1 1 250.298 1.858 10 5 CDBEMO COc1cc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000443325633 250021369 /nfs/dbraw/zinc/02/13/69/250021369.db2.gz HHHKLACDSOUIGG-MNOVXSKESA-N 1 1 298.339 1.167 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCCO)C2)cn1 ZINC000450614195 251367111 /nfs/dbraw/zinc/36/71/11/251367111.db2.gz MOWNEXFGPUCCOU-GFCCVEGCSA-N 1 1 280.328 1.249 10 5 CDBEMO Cc1cnc(NC[C@H]2CCCC[N@H+]2CCO)c([N+](=O)[O-])c1 ZINC000450619031 251370107 /nfs/dbraw/zinc/37/01/07/251370107.db2.gz UBYSLCMLADOLBR-GFCCVEGCSA-N 1 1 294.355 1.557 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)nc1 ZINC000301113043 285126333 /nfs/dbraw/zinc/12/63/33/285126333.db2.gz WFEUEFFNCDZLRF-LBPRGKRZSA-N 1 1 262.313 1.664 10 5 CDBEMO O=[N+]([O-])c1cccnc1N1CCC[N@H+](C2CC2)CC1 ZINC000057857631 285165295 /nfs/dbraw/zinc/16/52/95/285165295.db2.gz UZAXJPSSSVEQCX-UHFFFAOYSA-N 1 1 262.313 1.664 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCn1cccn1)CC2 ZINC000353000327 285183922 /nfs/dbraw/zinc/18/39/22/285183922.db2.gz XTJQMQZXIIGFDG-UHFFFAOYSA-N 1 1 273.296 1.245 10 5 CDBEMO C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000081903142 177887196 /nfs/dbraw/zinc/88/71/96/177887196.db2.gz CJLJLFRYKHGBHO-MRVPVSSYSA-N 1 1 290.316 1.257 10 5 CDBEMO C[N@@H+](CCCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281560768 195289690 /nfs/dbraw/zinc/28/96/90/195289690.db2.gz CTDJDBKNOVDHNY-UHFFFAOYSA-N 1 1 281.312 1.238 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408464281 391646455 /nfs/dbraw/zinc/64/64/55/391646455.db2.gz DTOFRLMJACAYIO-UWVGGRQHSA-N 1 1 280.303 1.802 10 5 CDBEMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000189781858 130022026 /nfs/dbraw/zinc/02/20/26/130022026.db2.gz UMKBPFHUXCYXEG-UHFFFAOYSA-N 1 1 286.353 1.630 10 5 CDBEMO COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000488760935 392726459 /nfs/dbraw/zinc/72/64/59/392726459.db2.gz NFGMQFRTHWKPDP-VHSXEESVSA-N 1 1 298.314 1.945 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000488760935 392726466 /nfs/dbraw/zinc/72/64/66/392726466.db2.gz NFGMQFRTHWKPDP-VHSXEESVSA-N 1 1 298.314 1.945 10 5 CDBEMO C[N@@H+](CCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000282012080 393166937 /nfs/dbraw/zinc/16/69/37/393166937.db2.gz YBGBZJLLTZUTMW-UHFFFAOYSA-N 1 1 254.286 1.288 10 5 CDBEMO Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000284969388 393194673 /nfs/dbraw/zinc/19/46/73/393194673.db2.gz KOMXRQXCIOOHHD-CHWSQXEVSA-N 1 1 292.339 1.208 10 5 CDBEMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000103471643 147179864 /nfs/dbraw/zinc/17/98/64/147179864.db2.gz LGCLVHMSNLXKLG-SNVBAGLBSA-N 1 1 295.314 1.964 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1C ZINC001586743905 1172956897 /nfs/dbraw/zinc/95/68/97/1172956897.db2.gz ZVSOKANUUHLFDF-NXEZZACHSA-N 1 1 295.343 1.263 10 5 CDBEMO C[N@H+]1CCC[C@H](CNc2cc([N+](=O)[O-])ccn2)C1 ZINC000044537849 175200311 /nfs/dbraw/zinc/20/03/11/175200311.db2.gz WCZXRLQKBKWOOY-SNVBAGLBSA-N 1 1 250.302 1.744 10 5 CDBEMO [NH3+][C@H](CCO)c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732025 175240794 /nfs/dbraw/zinc/24/07/94/175240794.db2.gz AJZLVAIQNHDOCX-MRVPVSSYSA-N 1 1 264.241 1.027 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000177314490 276167437 /nfs/dbraw/zinc/16/74/37/276167437.db2.gz YVAFYHVNXIXFQZ-LLVKDONJSA-N 1 1 295.314 1.948 10 5 CDBEMO C[N@H+]1CCO[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153119000 277124682 /nfs/dbraw/zinc/12/46/82/277124682.db2.gz HIMRSZQTKWOYJT-QWHCGFSZSA-N 1 1 281.287 1.253 10 5 CDBEMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000301642792 277131464 /nfs/dbraw/zinc/13/14/64/277131464.db2.gz GYJRMFVVBJOBHO-STQMWFEESA-N 1 1 263.297 1.114 10 5 CDBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CO ZINC000050816610 520329748 /nfs/dbraw/zinc/32/97/48/520329748.db2.gz OABOBQWJOQDVRD-CYBMUJFWSA-N 1 1 279.340 1.983 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000062542211 521071579 /nfs/dbraw/zinc/07/15/79/521071579.db2.gz RSBXWMOUZAOSDE-JTQLQIEISA-N 1 1 286.259 1.393 10 5 CDBEMO COC[C@H]1CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339290967 522853300 /nfs/dbraw/zinc/85/33/00/522853300.db2.gz QNBHMLGZSWGGKD-CHWSQXEVSA-N 1 1 296.323 1.055 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@@H](C)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000068651050 523819126 /nfs/dbraw/zinc/81/91/26/523819126.db2.gz QFBRBUASNOCFMZ-YGRLFVJLSA-N 1 1 296.323 1.951 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](C)(O)C1 ZINC000183389418 525567201 /nfs/dbraw/zinc/56/72/01/525567201.db2.gz UJXCKIIOLHQKNG-ZDUSSCGKSA-N 1 1 250.298 1.860 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)CC1 ZINC000050792026 527504700 /nfs/dbraw/zinc/50/47/00/527504700.db2.gz SGABFUMRYMQAQH-UHFFFAOYSA-N 1 1 251.286 1.134 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000305835688 536772808 /nfs/dbraw/zinc/77/28/08/536772808.db2.gz FSIJNHDMAONUMZ-PWSUYJOCSA-N 1 1 280.324 1.806 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001125418472 1158632917 /nfs/dbraw/zinc/63/29/17/1158632917.db2.gz IDLRLLYPSOYYMS-UHFFFAOYSA-N 1 1 275.264 1.843 10 5 CDBEMO CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001698720714 1175903226 /nfs/dbraw/zinc/90/32/26/1175903226.db2.gz DKIFOTSKWHPQBX-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001724620728 1181706806 /nfs/dbraw/zinc/70/68/06/1181706806.db2.gz RPHKPTYWXVMOPU-ZIAGYGMSSA-N 1 1 291.351 1.290 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000866204863 753888860 /nfs/dbraw/zinc/88/88/60/753888860.db2.gz HEIQYHKUBFDAOS-MNOVXSKESA-N 1 1 262.313 1.520 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000931272611 754185450 /nfs/dbraw/zinc/18/54/50/754185450.db2.gz XGRQTYFNZJRLTA-CYBMUJFWSA-N 1 1 277.324 1.689 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000931272611 754185459 /nfs/dbraw/zinc/18/54/59/754185459.db2.gz XGRQTYFNZJRLTA-CYBMUJFWSA-N 1 1 277.324 1.689 10 5 CDBEMO Cc1nn(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000853591588 754339946 /nfs/dbraw/zinc/33/99/46/754339946.db2.gz TVODWHQTGIOFSH-MNOVXSKESA-N 1 1 266.301 1.026 10 5 CDBEMO Cc1nn(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000853591588 754339953 /nfs/dbraw/zinc/33/99/53/754339953.db2.gz TVODWHQTGIOFSH-MNOVXSKESA-N 1 1 266.301 1.026 10 5 CDBEMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])nc2)CCC1(C)C ZINC000866112465 755054960 /nfs/dbraw/zinc/05/49/60/755054960.db2.gz BZLNPSQPZRDIRF-UHFFFAOYSA-N 1 1 264.329 1.910 10 5 CDBEMO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000925394805 755383486 /nfs/dbraw/zinc/38/34/86/755383486.db2.gz CGXZWIVRHQORQP-LLVKDONJSA-N 1 1 278.312 1.729 10 5 CDBEMO Cc1csc(C[C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)n1 ZINC000931749120 755389510 /nfs/dbraw/zinc/38/95/10/755389510.db2.gz GXTCYCQKUYGJDP-LLVKDONJSA-N 1 1 269.370 1.983 10 5 CDBEMO Cc1csc(C[C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)n1 ZINC000931749120 755389514 /nfs/dbraw/zinc/38/95/14/755389514.db2.gz GXTCYCQKUYGJDP-LLVKDONJSA-N 1 1 269.370 1.983 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866204928 755531829 /nfs/dbraw/zinc/53/18/29/755531829.db2.gz HYAOGZCOHYSSMD-AAEUAGOBSA-N 1 1 276.340 1.829 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000712593235 755698267 /nfs/dbraw/zinc/69/82/67/755698267.db2.gz XFKHNDDGXFOHPC-QMMMGPOBSA-N 1 1 252.274 1.202 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000794926570 756350964 /nfs/dbraw/zinc/35/09/64/756350964.db2.gz CDXLYLLJNKIYTG-FZMZJTMJSA-N 1 1 279.315 1.870 10 5 CDBEMO COc1ccc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000860158733 757077946 /nfs/dbraw/zinc/07/79/46/757077946.db2.gz SOAPSZKYYHUNQQ-GHMZBOCLSA-N 1 1 292.291 1.208 10 5 CDBEMO Cc1cnc(N[C@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000719620808 757184830 /nfs/dbraw/zinc/18/48/30/757184830.db2.gz AMEZQLHDSMRMMB-UWVGGRQHSA-N 1 1 250.302 1.803 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)cn1 ZINC000720464873 757341573 /nfs/dbraw/zinc/34/15/73/757341573.db2.gz SHUNPCMNAIGQNW-NWDGAFQWSA-N 1 1 294.380 1.982 10 5 CDBEMO C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000804625510 757689783 /nfs/dbraw/zinc/68/97/83/757689783.db2.gz SYWBQXKBJDUARP-JTQLQIEISA-N 1 1 299.758 1.751 10 5 CDBEMO C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000804625510 757689823 /nfs/dbraw/zinc/68/98/23/757689823.db2.gz SYWBQXKBJDUARP-JTQLQIEISA-N 1 1 299.758 1.751 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000931391778 758727717 /nfs/dbraw/zinc/72/77/17/758727717.db2.gz LEWXAYZGOJAYGH-ZNMIVQPWSA-N 1 1 291.351 1.407 10 5 CDBEMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1N)C1CC1 ZINC001631236282 1166261816 /nfs/dbraw/zinc/26/18/16/1166261816.db2.gz KUZNDIXCAKDLRX-UHFFFAOYSA-N 1 1 278.312 1.001 10 5 CDBEMO CC[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C(C)(C)C1 ZINC001635809028 1166624129 /nfs/dbraw/zinc/62/41/29/1166624129.db2.gz MNYXWKUKRFWUNV-LBPRGKRZSA-N 1 1 294.355 1.393 10 5 CDBEMO CCc1[nH+]ccn1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001177514998 914731308 /nfs/dbraw/zinc/73/13/08/914731308.db2.gz WGLWRDPQBKCPSQ-UHFFFAOYSA-N 1 1 282.344 1.397 10 5 CDBEMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000782598847 937255934 /nfs/dbraw/zinc/25/59/34/937255934.db2.gz IYICVLMGOXSBSK-CYBMUJFWSA-N 1 1 280.324 1.333 10 5 CDBEMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccsc1[N+](=O)[O-] ZINC001458496137 932755042 /nfs/dbraw/zinc/75/50/42/932755042.db2.gz UCEIDMJBYGCYPE-JTQLQIEISA-N 1 1 298.368 1.408 10 5 CDBEMO CC(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001324864798 953614561 /nfs/dbraw/zinc/61/45/61/953614561.db2.gz UHTURRGIMJDPFI-CHWSQXEVSA-N 1 1 297.399 1.526 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC001348546426 966051258 /nfs/dbraw/zinc/05/12/58/966051258.db2.gz HIPYOUBPMMAUCI-MNOVXSKESA-N 1 1 262.313 1.520 10 5 CDBEMO O=C1OC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC001460569584 969523466 /nfs/dbraw/zinc/52/34/66/969523466.db2.gz VMGXTYARBHRBMX-ONGXEEELSA-N 1 1 296.710 1.853 10 5 CDBEMO O=C1OC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC001460569584 969523473 /nfs/dbraw/zinc/52/34/73/969523473.db2.gz VMGXTYARBHRBMX-ONGXEEELSA-N 1 1 296.710 1.853 10 5 CDBEMO C[C@@H](CO)[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601121382 342471265 /nfs/dbraw/zinc/47/12/65/342471265.db2.gz NDZMVSTZZXWHLD-VHSXEESVSA-N 1 1 275.308 1.994 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590046942 342520966 /nfs/dbraw/zinc/52/09/66/342520966.db2.gz OSEPGRQBJOGYPG-GXTWGEPZSA-N 1 1 289.335 1.300 10 5 CDBEMO Cc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590047165 342521143 /nfs/dbraw/zinc/52/11/43/342521143.db2.gz WJQNXCBKYAWOTR-TZMCWYRMSA-N 1 1 289.335 1.679 10 5 CDBEMO C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000593725904 342829250 /nfs/dbraw/zinc/82/92/50/342829250.db2.gz ZCCQEMSUMYILSU-NXEZZACHSA-N 1 1 265.313 1.483 10 5 CDBEMO C[C@@](C[NH3+])(NCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000593725423 342829353 /nfs/dbraw/zinc/82/93/53/342829353.db2.gz OODHXQQCPODENM-ZDUSSCGKSA-N 1 1 265.313 1.517 10 5 CDBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000593725574 342829489 /nfs/dbraw/zinc/82/94/89/342829489.db2.gz QNODWWBATMCDID-UHFFFAOYSA-N 1 1 267.329 1.717 10 5 CDBEMO Cc1noc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000595338476 343030141 /nfs/dbraw/zinc/03/01/41/343030141.db2.gz IOGWXTKUXZHTTO-QWRGUYRKSA-N 1 1 281.312 1.892 10 5 CDBEMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191797602 529689779 /nfs/dbraw/zinc/68/97/79/529689779.db2.gz MTGRDLLRZWZLQG-JTQLQIEISA-N 1 1 297.359 1.271 10 5 CDBEMO Cc1noc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1[N+](=O)[O-] ZINC000595781544 343154732 /nfs/dbraw/zinc/15/47/32/343154732.db2.gz MAZISUGQMZFRTM-VHSXEESVSA-N 1 1 267.285 1.284 10 5 CDBEMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC4(COC4)C3)nc2c1 ZINC000595833433 343169714 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CCOc1ccc(C(=O)NCC[NH+]2CCC2)cc1[N+](=O)[O-] ZINC000337299423 520909884 /nfs/dbraw/zinc/90/98/84/520909884.db2.gz VJIVATYYPFDKDM-UHFFFAOYSA-N 1 1 293.323 1.429 10 5 CDBEMO CN(C)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443290 521789436 /nfs/dbraw/zinc/78/94/36/521789436.db2.gz YLTOJAPENZQJDZ-UHFFFAOYSA-N 1 1 257.721 1.899 10 5 CDBEMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050708175 523796502 /nfs/dbraw/zinc/79/65/02/523796502.db2.gz KDDPFXMAJHYJBZ-LLVKDONJSA-N 1 1 292.339 1.391 10 5 CDBEMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000299977827 524513510 /nfs/dbraw/zinc/51/35/10/524513510.db2.gz UEBMKIKBMYWQBU-ZWNOBZJWSA-N 1 1 250.298 1.798 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000285065963 545519167 /nfs/dbraw/zinc/51/91/67/545519167.db2.gz OZPDTPGYGDDTSF-OLZOCXBDSA-N 1 1 292.339 1.208 10 5 CDBEMO Cc1[nH+]ccn1CCOC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000771896090 575633201 /nfs/dbraw/zinc/63/32/01/575633201.db2.gz 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CDBEMO C[N@H+]1CC[C@H](CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001642045463 1167153080 /nfs/dbraw/zinc/15/30/80/1167153080.db2.gz QCGRFXYTAKUVTD-SECBINFHSA-N 1 1 278.312 1.457 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC001620577386 1172326665 /nfs/dbraw/zinc/32/66/65/1172326665.db2.gz FXVFTBKNOLGNMI-FAAHXZRKSA-N 1 1 292.335 1.331 10 5 CDBEMO CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001686258960 1174704516 /nfs/dbraw/zinc/70/45/16/1174704516.db2.gz YSQYKYXVHZQWAQ-UHFFFAOYSA-N 1 1 289.335 1.649 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1=CCCCC1 ZINC001690940068 1175619262 /nfs/dbraw/zinc/61/92/62/1175619262.db2.gz QHRSSHXJVIJBKR-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1=CCCCC1 ZINC001690940068 1175619268 /nfs/dbraw/zinc/61/92/68/1175619268.db2.gz QHRSSHXJVIJBKR-ZIAGYGMSSA-N 1 1 295.383 1.590 10 5 CDBEMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC1=CCCCC1 ZINC001690940068 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/nfs/dbraw/zinc/52/01/71/342520171.db2.gz UPAVHLWEUPJUED-YGRLFVJLSA-N 1 1 279.315 1.870 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000590045834 342520691 /nfs/dbraw/zinc/52/06/91/342520691.db2.gz XWGPRRDQEALXGS-JSGCOSHPSA-N 1 1 289.335 1.300 10 5 CDBEMO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590053113 342521289 /nfs/dbraw/zinc/52/12/89/342521289.db2.gz YGISFJFDMBHFLO-HZMBPMFUSA-N 1 1 277.324 1.436 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590053113 342521290 /nfs/dbraw/zinc/52/12/90/342521290.db2.gz YGISFJFDMBHFLO-HZMBPMFUSA-N 1 1 277.324 1.436 10 5 CDBEMO Cc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590441692 342546147 /nfs/dbraw/zinc/54/61/47/342546147.db2.gz DGZDBUNQRCVKAA-OCCSQVGLSA-N 1 1 289.335 1.679 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611578367 346825167 /nfs/dbraw/zinc/82/51/67/346825167.db2.gz BBYJKLFNTDHOKY-JTQLQIEISA-N 1 1 290.270 1.495 10 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/nfs/dbraw/zinc/16/74/66/343167466.db2.gz PNBIQLRCHZPHST-VHSXEESVSA-N 1 1 267.285 1.360 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000595827427 343167467 /nfs/dbraw/zinc/16/74/67/343167467.db2.gz PNBIQLRCHZPHST-VHSXEESVSA-N 1 1 267.285 1.360 10 5 CDBEMO CC12CC(C1)C[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595915125 343190791 /nfs/dbraw/zinc/19/07/91/343190791.db2.gz JRRMWNHQRDNVJJ-QRJNDHJOSA-N 1 1 292.335 1.819 10 5 CDBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000596487808 343329354 /nfs/dbraw/zinc/32/93/54/343329354.db2.gz JZIKDHXUKKVBJR-UHFFFAOYSA-N 1 1 296.371 1.784 10 5 CDBEMO CO[C@@H]1C[C@H](CO)[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000344094163 362535260 /nfs/dbraw/zinc/53/52/60/362535260.db2.gz GUEBKZRHVOIBBV-CHWSQXEVSA-N 1 1 280.324 1.485 10 5 CDBEMO COC[C@H]1CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293474017 362560964 /nfs/dbraw/zinc/56/09/64/362560964.db2.gz FENGGBNMINQMHV-CHWSQXEVSA-N 1 1 266.297 1.349 10 5 CDBEMO COC[C@H]1CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293474017 362560968 /nfs/dbraw/zinc/56/09/68/362560968.db2.gz FENGGBNMINQMHV-CHWSQXEVSA-N 1 1 266.297 1.349 10 5 CDBEMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000611276847 346733609 /nfs/dbraw/zinc/73/36/09/346733609.db2.gz WMJPMLPNWCTPGK-VFWWJLHSSA-N 1 1 278.308 1.036 10 5 CDBEMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000611276847 346733612 /nfs/dbraw/zinc/73/36/12/346733612.db2.gz WMJPMLPNWCTPGK-VFWWJLHSSA-N 1 1 278.308 1.036 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](CC)C1 ZINC000389459257 362941167 /nfs/dbraw/zinc/94/11/67/362941167.db2.gz RVYGOUXSXANHAN-SNVBAGLBSA-N 1 1 267.333 1.626 10 5 CDBEMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000091498725 180173875 /nfs/dbraw/zinc/17/38/75/180173875.db2.gz HDJWFVFCFMIHNA-UHFFFAOYSA-N 1 1 293.323 1.236 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171193676 363410990 /nfs/dbraw/zinc/41/09/90/363410990.db2.gz LCZCQGRBMJHERL-ZDUSSCGKSA-N 1 1 292.339 1.488 10 5 CDBEMO C[N@H+]1CC[C@H]2OCCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284484009 283158862 /nfs/dbraw/zinc/15/88/62/283158862.db2.gz GTVYMOLBOGKIGO-UONOGXRCSA-N 1 1 295.314 1.643 10 5 CDBEMO C[C@H]1CCCC[N@H+]1CCNc1ncc([N+](=O)[O-])cn1 ZINC000273649231 192246324 /nfs/dbraw/zinc/24/63/24/192246324.db2.gz UDPPEUAEVVCCDC-JTQLQIEISA-N 1 1 265.317 1.671 10 5 CDBEMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000181048033 357306965 /nfs/dbraw/zinc/30/69/65/357306965.db2.gz SIHFKLODPXEQQS-JTQLQIEISA-N 1 1 290.323 1.097 10 5 CDBEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000408112451 358157711 /nfs/dbraw/zinc/15/77/11/358157711.db2.gz LAQKHILWEYFCRE-JTQLQIEISA-N 1 1 263.297 1.371 10 5 CDBEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000408112451 358157712 /nfs/dbraw/zinc/15/77/12/358157712.db2.gz LAQKHILWEYFCRE-JTQLQIEISA-N 1 1 263.297 1.371 10 5 CDBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000408200560 358898840 /nfs/dbraw/zinc/89/88/40/358898840.db2.gz AUWLJUWOKWKSKJ-QWHCGFSZSA-N 1 1 291.351 1.672 10 5 CDBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2CCOC[C@H]2C1 ZINC000408200560 358898841 /nfs/dbraw/zinc/89/88/41/358898841.db2.gz AUWLJUWOKWKSKJ-QWHCGFSZSA-N 1 1 291.351 1.672 10 5 CDBEMO COCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000571410177 359564796 /nfs/dbraw/zinc/56/47/96/359564796.db2.gz AFRWSINYNACLIZ-UHFFFAOYSA-N 1 1 298.318 1.287 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000078332657 359900537 /nfs/dbraw/zinc/90/05/37/359900537.db2.gz GDPCCINUQLTPPG-GHMZBOCLSA-N 1 1 281.360 1.495 10 5 CDBEMO CC[N@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000582103304 364066396 /nfs/dbraw/zinc/06/63/96/364066396.db2.gz NEVLPEOESJYRJY-QWHCGFSZSA-N 1 1 292.339 1.289 10 5 CDBEMO O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)n1 ZINC000420404681 244205006 /nfs/dbraw/zinc/20/50/06/244205006.db2.gz SHYAXGSVQFCNNT-CHWSQXEVSA-N 1 1 293.371 1.255 10 5 CDBEMO CC(C)(C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000330834380 203292270 /nfs/dbraw/zinc/29/22/70/203292270.db2.gz HVSDSJMSQZWMLL-STQMWFEESA-N 1 1 296.371 1.520 10 5 CDBEMO CC(C)(C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000330834379 203292764 /nfs/dbraw/zinc/29/27/64/203292764.db2.gz HVSDSJMSQZWMLL-QWHCGFSZSA-N 1 1 296.371 1.520 10 5 CDBEMO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000330906921 203377097 /nfs/dbraw/zinc/37/70/97/203377097.db2.gz BSKSZWUWQMQKFP-TVQRCGJNSA-N 1 1 298.314 1.945 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000330906921 203377101 /nfs/dbraw/zinc/37/71/01/203377101.db2.gz BSKSZWUWQMQKFP-TVQRCGJNSA-N 1 1 298.314 1.945 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000573024967 371380015 /nfs/dbraw/zinc/38/00/15/371380015.db2.gz QKWQTOWQHPKDSN-LLVKDONJSA-N 1 1 294.355 1.261 10 5 CDBEMO O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422938233 374364273 /nfs/dbraw/zinc/36/42/73/374364273.db2.gz HAHBMGBTLURVQG-CABCVRRESA-N 1 1 291.351 1.451 10 5 CDBEMO C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000274695002 374679495 /nfs/dbraw/zinc/67/94/95/374679495.db2.gz RXOSUKYQOKBMFL-MRVPVSSYSA-N 1 1 284.291 1.059 10 5 CDBEMO C[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000274695002 374679503 /nfs/dbraw/zinc/67/95/03/374679503.db2.gz RXOSUKYQOKBMFL-MRVPVSSYSA-N 1 1 284.291 1.059 10 5 CDBEMO CC1=C[C@@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000430271391 247593918 /nfs/dbraw/zinc/59/39/18/247593918.db2.gz XHEYITGGSSXSNM-SNVBAGLBSA-N 1 1 250.302 1.689 10 5 CDBEMO O=C1C[C@]2(CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278785883 194154214 /nfs/dbraw/zinc/15/42/14/194154214.db2.gz DMTWMBBGHLLEBI-CQSZACIVSA-N 1 1 275.308 1.307 10 5 CDBEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000175027605 379625746 /nfs/dbraw/zinc/62/57/46/379625746.db2.gz HHWJOKZRLIJOBR-GHMZBOCLSA-N 1 1 293.323 1.887 10 5 CDBEMO Cc1ccc(CN2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000449788593 251026266 /nfs/dbraw/zinc/02/62/66/251026266.db2.gz YDPNEEKFVURARN-ZDUSSCGKSA-N 1 1 293.367 1.402 10 5 CDBEMO C[C@@H](C[NH+]1CCOCC1)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000450483734 251306054 /nfs/dbraw/zinc/30/60/54/251306054.db2.gz KCHHKCHUUMUSMZ-NSHDSACASA-N 1 1 280.328 1.147 10 5 CDBEMO COCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413119114 391159738 /nfs/dbraw/zinc/15/97/38/391159738.db2.gz MWIFOYUAKAQNMI-JTQLQIEISA-N 1 1 298.318 1.652 10 5 CDBEMO CC[C@@H](C)[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264100277 131394428 /nfs/dbraw/zinc/39/44/28/131394428.db2.gz PCSTZPWPSHNCOP-SECBINFHSA-N 1 1 295.343 1.231 10 5 CDBEMO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000548753941 392508597 /nfs/dbraw/zinc/50/85/97/392508597.db2.gz PGKYJWNEBNHFQP-IUCAKERBSA-N 1 1 263.297 1.676 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000449677685 393139751 /nfs/dbraw/zinc/13/97/51/393139751.db2.gz NJOPYWJZJBTKFA-SWLSCSKDSA-N 1 1 294.351 1.875 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000284470056 393191282 /nfs/dbraw/zinc/19/12/82/393191282.db2.gz FTEZHIUPZZIAAT-HUUCEWRRSA-N 1 1 291.351 1.813 10 5 CDBEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351825680 393206594 /nfs/dbraw/zinc/20/65/94/393206594.db2.gz IXESDATWZLTVLR-NXEZZACHSA-N 1 1 295.314 1.820 10 5 CDBEMO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+](C)C1CC1 ZINC000227526664 140185429 /nfs/dbraw/zinc/18/54/29/140185429.db2.gz RVVOVUDYGUKEJT-SECBINFHSA-N 1 1 250.302 1.884 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000246986243 140284937 /nfs/dbraw/zinc/28/49/37/140284937.db2.gz SMURERFYQABDTB-CHWSQXEVSA-N 1 1 280.328 1.435 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000246986243 140284939 /nfs/dbraw/zinc/28/49/39/140284939.db2.gz SMURERFYQABDTB-CHWSQXEVSA-N 1 1 280.328 1.435 10 5 CDBEMO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000037225242 173045832 /nfs/dbraw/zinc/04/58/32/173045832.db2.gz ZZARKRKNWASUSG-SECBINFHSA-N 1 1 251.286 1.334 10 5 CDBEMO C[C@@H](O)C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302824191 274270825 /nfs/dbraw/zinc/27/08/25/274270825.db2.gz WIGGGPAWDPIQIF-SNVBAGLBSA-N 1 1 283.303 1.237 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH2+]Cc2ccccc21 ZINC000062818494 275012856 /nfs/dbraw/zinc/01/28/56/275012856.db2.gz YVWKZOTTWYOWLS-UHFFFAOYSA-N 1 1 287.275 1.938 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c(Cl)c1 ZINC000371801751 275036635 /nfs/dbraw/zinc/03/66/35/275036635.db2.gz HTPQPDHZNMMHJA-NSHDSACASA-N 1 1 297.742 1.769 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c(Cl)c1 ZINC000371801751 275036636 /nfs/dbraw/zinc/03/66/36/275036636.db2.gz HTPQPDHZNMMHJA-NSHDSACASA-N 1 1 297.742 1.769 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000049096279 279169103 /nfs/dbraw/zinc/16/91/03/279169103.db2.gz VOISDGGOUGDFGE-LBPRGKRZSA-N 1 1 277.324 1.348 10 5 CDBEMO CC(=O)NCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153025503 289154253 /nfs/dbraw/zinc/15/42/53/289154253.db2.gz MOIRJBZLGYODCQ-UHFFFAOYSA-N 1 1 277.324 1.479 10 5 CDBEMO CC(=O)NCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153025503 289154254 /nfs/dbraw/zinc/15/42/54/289154254.db2.gz MOIRJBZLGYODCQ-UHFFFAOYSA-N 1 1 277.324 1.479 10 5 CDBEMO CC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000561288521 293074437 /nfs/dbraw/zinc/07/44/37/293074437.db2.gz QOUBPYLHIVUNDR-UHFFFAOYSA-N 1 1 251.286 1.163 10 5 CDBEMO CC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000561288521 293074438 /nfs/dbraw/zinc/07/44/38/293074438.db2.gz QOUBPYLHIVUNDR-UHFFFAOYSA-N 1 1 251.286 1.163 10 5 CDBEMO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000789519181 1162092599 /nfs/dbraw/zinc/09/25/99/1162092599.db2.gz JKRTWEGKZUFVQG-LLVKDONJSA-N 1 1 295.343 1.130 10 5 CDBEMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000789519181 1162092601 /nfs/dbraw/zinc/09/26/01/1162092601.db2.gz JKRTWEGKZUFVQG-LLVKDONJSA-N 1 1 295.343 1.130 10 5 CDBEMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000789519182 1162092619 /nfs/dbraw/zinc/09/26/19/1162092619.db2.gz JKRTWEGKZUFVQG-NSHDSACASA-N 1 1 295.343 1.130 10 5 CDBEMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cn1cc([N+](=O)[O-])cn1 ZINC000789519182 1162092620 /nfs/dbraw/zinc/09/26/20/1162092620.db2.gz JKRTWEGKZUFVQG-NSHDSACASA-N 1 1 295.343 1.130 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@H](C)Oc1cccc([N+](=O)[O-])c1C ZINC000068651249 523818469 /nfs/dbraw/zinc/81/84/69/523818469.db2.gz QAGFSTUVKWRHAJ-XPTSAGLGSA-N 1 1 296.323 1.951 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1cccc([N+](=O)[O-])c1C ZINC000062540527 523913367 /nfs/dbraw/zinc/91/33/67/523913367.db2.gz AOLVICGVWVAIHK-SECBINFHSA-N 1 1 268.269 1.172 10 5 CDBEMO C[C@@H]1C[N@@H+](CCN(C)c2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000340851442 524951201 /nfs/dbraw/zinc/95/12/01/524951201.db2.gz INQULJOAKAQGTI-TXEJJXNPSA-N 1 1 294.355 1.535 10 5 CDBEMO C[C@@H]1C[N@H+](CCN(C)c2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000340851442 524951213 /nfs/dbraw/zinc/95/12/13/524951213.db2.gz INQULJOAKAQGTI-TXEJJXNPSA-N 1 1 294.355 1.535 10 5 CDBEMO Cn1cc[nH+]c1CCNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455887 527430099 /nfs/dbraw/zinc/43/00/99/527430099.db2.gz PVXJZEJSOZZGIC-UHFFFAOYSA-N 1 1 282.691 1.426 10 5 CDBEMO Nc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000050817071 527481870 /nfs/dbraw/zinc/48/18/70/527481870.db2.gz VCNUDHTVILVZET-NSHDSACASA-N 1 1 265.313 1.524 10 5 CDBEMO CC(C)[N@@H+](C[C@H](C)O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581611 617679779 /nfs/dbraw/zinc/67/97/79/617679779.db2.gz FKLNVMYQWKCEEC-SMDDNHRTSA-N 1 1 282.340 1.719 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ccc(N)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866207307 1164752103 /nfs/dbraw/zinc/75/21/03/1164752103.db2.gz HOCNEDNVHPAZEO-ZYHUDNBSSA-N 1 1 276.340 1.707 10 5 CDBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877749737 1166092557 /nfs/dbraw/zinc/09/25/57/1166092557.db2.gz SLRWOCDKOPPESZ-PHACEPHWSA-N 1 1 292.335 1.426 10 5 CDBEMO Cc1cnc(N2CCc3cc[nH+]c(N)c3C2)c([N+](=O)[O-])c1 ZINC001643302460 1167242129 /nfs/dbraw/zinc/24/21/29/1167242129.db2.gz ZMUDGFSOTKDQKY-UHFFFAOYSA-N 1 1 285.307 1.838 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CC[N@@H+](C)C1 ZINC001645325847 1167392144 /nfs/dbraw/zinc/39/21/44/1167392144.db2.gz ODZHISVLNCHSMK-LLVKDONJSA-N 1 1 292.339 1.343 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001654027012 1171585580 /nfs/dbraw/zinc/58/55/80/1171585580.db2.gz GBTATRBKSMYEPB-ZDUSSCGKSA-N 1 1 277.324 1.761 10 5 CDBEMO Cc1nn(C)c(N2CCc3cc[nH+]c(N)c3C2)c1[N+](=O)[O-] ZINC001655942010 1171749243 /nfs/dbraw/zinc/74/92/43/1171749243.db2.gz AILJDKBVHZHPIY-UHFFFAOYSA-N 1 1 288.311 1.177 10 5 CDBEMO CCC[N@H+](C/C=C\Cl)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714652619 1179299103 /nfs/dbraw/zinc/29/91/03/1179299103.db2.gz BXNFGODASXMKNJ-ANDSXOESSA-N 1 1 289.763 1.232 10 5 CDBEMO C[N@@H+](CCNC(=O)CCCF)Cc1ccc([N+](=O)[O-])cc1 ZINC001731782544 1182574301 /nfs/dbraw/zinc/57/43/01/1182574301.db2.gz RZPYWUUNLJNOSR-UHFFFAOYSA-N 1 1 297.330 1.893 10 5 CDBEMO O=C1OC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860156616 783921556 /nfs/dbraw/zinc/92/15/56/783921556.db2.gz DCHICQCTDPVAHJ-ZYHUDNBSSA-N 1 1 262.265 1.200 10 5 CDBEMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1[N+](=O)[O-] ZINC000931391273 784296538 /nfs/dbraw/zinc/29/65/38/784296538.db2.gz QMTYZKBOIVDWCZ-TXEJJXNPSA-N 1 1 262.313 1.268 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000866207696 785867249 /nfs/dbraw/zinc/86/72/49/785867249.db2.gz FRWAMGDBFBYKGE-NXEZZACHSA-N 1 1 278.312 1.226 10 5 CDBEMO O=C1OC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000860159931 786743154 /nfs/dbraw/zinc/74/31/54/786743154.db2.gz SAVHLLYSDNIJBQ-MWLCHTKSSA-N 1 1 296.710 1.853 10 5 CDBEMO O=C1OC[C@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000860159931 786743173 /nfs/dbraw/zinc/74/31/73/786743173.db2.gz SAVHLLYSDNIJBQ-MWLCHTKSSA-N 1 1 296.710 1.853 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C ZINC000928459022 786846780 /nfs/dbraw/zinc/84/67/80/786846780.db2.gz ZRVKQBCOHYHYCQ-SFYZADRCSA-N 1 1 253.258 1.010 10 5 CDBEMO CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000855360239 787816636 /nfs/dbraw/zinc/81/66/36/787816636.db2.gz DAZULWMZPYFZBQ-NSHDSACASA-N 1 1 292.339 1.343 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866204929 788092681 /nfs/dbraw/zinc/09/26/81/788092681.db2.gz HYAOGZCOHYSSMD-DGCLKSJQSA-N 1 1 276.340 1.829 10 5 CDBEMO Cc1nn(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c(C)c1[N+](=O)[O-] ZINC000853566396 788529986 /nfs/dbraw/zinc/52/99/86/788529986.db2.gz OOMRAOZETUEGOK-YPMHNXCESA-N 1 1 280.328 1.334 10 5 CDBEMO Cc1nn(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c(C)c1[N+](=O)[O-] ZINC000853566396 788530007 /nfs/dbraw/zinc/53/00/07/788530007.db2.gz OOMRAOZETUEGOK-YPMHNXCESA-N 1 1 280.328 1.334 10 5 CDBEMO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000252662157 789729783 /nfs/dbraw/zinc/72/97/83/789729783.db2.gz VKWUMSISFIHJLK-NWDGAFQWSA-N 1 1 278.312 1.265 10 5 CDBEMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001124088713 936283466 /nfs/dbraw/zinc/28/34/66/936283466.db2.gz XUGRXSHARBOOEY-CYZMBNFOSA-N 1 1 289.335 1.665 10 5 CDBEMO CNC(=O)c1ccc(Nc2[nH]cc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC001253258767 951830886 /nfs/dbraw/zinc/83/08/86/951830886.db2.gz LKXKQAZMGFUFNQ-UHFFFAOYSA-N 1 1 275.268 1.730 10 5 CDBEMO Cc1noc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[N+](=O)[O-] ZINC001327545948 954925924 /nfs/dbraw/zinc/92/59/24/954925924.db2.gz HSRSXVWABQOUKF-HWYHXSKPSA-N 1 1 281.312 1.484 10 5 CDBEMO Cc1noc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[N+](=O)[O-] ZINC001327545948 954925933 /nfs/dbraw/zinc/92/59/33/954925933.db2.gz HSRSXVWABQOUKF-HWYHXSKPSA-N 1 1 281.312 1.484 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001444068913 965728682 /nfs/dbraw/zinc/72/86/82/965728682.db2.gz IYMLHIQMRJKWGN-JTQLQIEISA-N 1 1 278.312 1.074 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001444068913 965728687 /nfs/dbraw/zinc/72/86/87/965728687.db2.gz IYMLHIQMRJKWGN-JTQLQIEISA-N 1 1 278.312 1.074 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001349952105 966539568 /nfs/dbraw/zinc/53/95/68/966539568.db2.gz VZKAYZVVAZRFHL-UHFFFAOYSA-N 1 1 260.253 1.738 10 5 CDBEMO CN(C(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CCC[N@@H+](C)C1 ZINC001545090594 967402558 /nfs/dbraw/zinc/40/25/58/967402558.db2.gz JCFFSEAGICWGBX-LLVKDONJSA-N 1 1 292.339 1.343 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001534265240 969482909 /nfs/dbraw/zinc/48/29/09/969482909.db2.gz FRPZRCVBIQRLJS-UHFFFAOYSA-N 1 1 279.227 1.844 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001536238502 969596440 /nfs/dbraw/zinc/59/64/40/969596440.db2.gz RCAUZRSIWWAPKL-UHFFFAOYSA-N 1 1 289.295 1.172 10 5 CDBEMO CC[N@H+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)[C@H](C)C1 ZINC000588068972 342492128 /nfs/dbraw/zinc/49/21/28/342492128.db2.gz SKNIPBNAFVLIAT-SNVBAGLBSA-N 1 1 294.355 1.200 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000593726585 342829473 /nfs/dbraw/zinc/82/94/73/342829473.db2.gz ORXVSSZLBIXONK-UHFFFAOYSA-N 1 1 277.324 1.628 10 5 CDBEMO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593924344 342852296 /nfs/dbraw/zinc/85/22/96/342852296.db2.gz MKKHTOTXAVHRDL-KOLCDFICSA-N 1 1 265.313 1.612 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000048752111 342262822 /nfs/dbraw/zinc/26/28/22/342262822.db2.gz UASBEWBGOLBGJF-LLVKDONJSA-N 1 1 263.297 1.419 10 5 CDBEMO O=[N+]([O-])c1cnccc1N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609384337 342267870 /nfs/dbraw/zinc/26/78/70/342267870.db2.gz KRYFNBXXDRLEOO-NSHDSACASA-N 1 1 262.313 1.308 10 5 CDBEMO O=C1C[C@]2(CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)CN1 ZINC000595468598 343072087 /nfs/dbraw/zinc/07/20/87/343072087.db2.gz UGTPEUVGQFQSLR-CQSZACIVSA-N 1 1 293.298 1.446 10 5 CDBEMO C[C@@]12COC[C@]1(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000595688873 343132263 /nfs/dbraw/zinc/13/22/63/343132263.db2.gz JRJXJFLRONBRII-BETUJISGSA-N 1 1 280.328 1.150 10 5 CDBEMO CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597946000 343675391 /nfs/dbraw/zinc/67/53/91/343675391.db2.gz MHGHOKSJABYSFS-JTQLQIEISA-N 1 1 283.353 1.823 10 5 CDBEMO CCn1nncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000598985216 343934627 /nfs/dbraw/zinc/93/46/27/343934627.db2.gz CMZJSZRAIISUSV-UHFFFAOYSA-N 1 1 275.312 1.804 10 5 CDBEMO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCOCC3)C2)cn1 ZINC000599092114 343952641 /nfs/dbraw/zinc/95/26/41/343952641.db2.gz GGZLKVRIIWGKDF-UHFFFAOYSA-N 1 1 278.312 1.265 10 5 CDBEMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599652911 344103993 /nfs/dbraw/zinc/10/39/93/344103993.db2.gz QDVVNJHAIQRYSO-JGZJWPJOSA-N 1 1 281.287 1.430 10 5 CDBEMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000292856965 362514097 /nfs/dbraw/zinc/51/40/97/362514097.db2.gz AJSXLILOANGHIE-WOPDTQHZSA-N 1 1 280.324 1.675 10 5 CDBEMO Cc1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000052192323 345235357 /nfs/dbraw/zinc/23/53/57/345235357.db2.gz CFNSDCLZCWQLMY-UHFFFAOYSA-N 1 1 289.295 1.233 10 5 CDBEMO C[C@@H]([NH2+]Cc1cnnn1C)c1ccccc1[N+](=O)[O-] ZINC000271644087 191257322 /nfs/dbraw/zinc/25/73/22/191257322.db2.gz HTKUUHNJGKXPKZ-SECBINFHSA-N 1 1 261.285 1.574 10 5 CDBEMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000577821844 356056769 /nfs/dbraw/zinc/05/67/69/356056769.db2.gz GWDKFYLRFCIPTE-NSHDSACASA-N 1 1 292.339 1.546 10 5 CDBEMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000577821844 356056770 /nfs/dbraw/zinc/05/67/70/356056770.db2.gz GWDKFYLRFCIPTE-NSHDSACASA-N 1 1 292.339 1.546 10 5 CDBEMO CC[N@H+]1CCC[C@@H]1CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000175338114 356226180 /nfs/dbraw/zinc/22/61/80/356226180.db2.gz VPRWFCYSUVVOTC-GFCCVEGCSA-N 1 1 281.360 1.207 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCNC1=O ZINC000340224745 359612594 /nfs/dbraw/zinc/61/25/94/359612594.db2.gz BTRXQFBPLIRCNP-BXKDBHETSA-N 1 1 263.297 1.476 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340224745 359612600 /nfs/dbraw/zinc/61/26/00/359612600.db2.gz BTRXQFBPLIRCNP-BXKDBHETSA-N 1 1 263.297 1.476 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000548091091 360102267 /nfs/dbraw/zinc/10/22/67/360102267.db2.gz MXWVKBIZCANGQR-GXSJLCMTSA-N 1 1 295.343 1.120 10 5 CDBEMO CC(C)[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000572218357 360067219 /nfs/dbraw/zinc/06/72/19/360067219.db2.gz ZMIQSZNTQGLIQI-CQSZACIVSA-N 1 1 264.325 1.970 10 5 CDBEMO CC1=CC[N@@H+](CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302153975 201369717 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C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000302350510 375194509 /nfs/dbraw/zinc/19/45/09/375194509.db2.gz BOTRWOJNCBJTKX-JTQLQIEISA-N 1 1 283.303 1.237 10 5 CDBEMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000302350510 375194515 /nfs/dbraw/zinc/19/45/15/375194515.db2.gz BOTRWOJNCBJTKX-JTQLQIEISA-N 1 1 283.303 1.237 10 5 CDBEMO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000490078510 253027263 /nfs/dbraw/zinc/02/72/63/253027263.db2.gz HODGZQKBAVLRAO-CQSZACIVSA-N 1 1 280.324 1.832 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c(F)c1 ZINC000494661086 390811088 /nfs/dbraw/zinc/81/10/88/390811088.db2.gz JEOBNXBITSMJQL-GFCCVEGCSA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(F)c1 ZINC000494661086 390811093 /nfs/dbraw/zinc/81/10/93/390811093.db2.gz JEOBNXBITSMJQL-GFCCVEGCSA-N 1 1 266.272 1.691 10 5 CDBEMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000399208360 391656697 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CC1=C[C@H](C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000430276032 393097606 /nfs/dbraw/zinc/09/76/06/393097606.db2.gz CCSAUNXMMURDCV-GXFFZTMASA-N 1 1 280.328 1.050 10 5 CDBEMO COc1cc(C[N@H+](C)CCCO)c([N+](=O)[O-])cc1OC ZINC000281890905 393161859 /nfs/dbraw/zinc/16/18/59/393161859.db2.gz YCPPMNQMTYWHFW-UHFFFAOYSA-N 1 1 284.312 1.426 10 5 CDBEMO COc1cc(C[N@@H+](C)CCCO)c([N+](=O)[O-])cc1OC ZINC000281890905 393161865 /nfs/dbraw/zinc/16/18/65/393161865.db2.gz YCPPMNQMTYWHFW-UHFFFAOYSA-N 1 1 284.312 1.426 10 5 CDBEMO Cc1sc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000188850964 140103070 /nfs/dbraw/zinc/10/30/70/140103070.db2.gz GCLXFTJASLWUMP-UHFFFAOYSA-N 1 1 295.364 1.885 10 5 CDBEMO CNc1c(C(=O)NC[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000231523189 140216614 /nfs/dbraw/zinc/21/66/14/140216614.db2.gz RMXSVNLXNCHRDH-JTQLQIEISA-N 1 1 292.339 1.461 10 5 CDBEMO COc1cc(C[N@@H+](C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000352416704 155174601 /nfs/dbraw/zinc/17/46/01/155174601.db2.gz IQIFXTXMFWFFAC-NSHDSACASA-N 1 1 266.297 1.824 10 5 CDBEMO COCC[N@H+]1CC[C@H](Nc2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000359088683 158122949 /nfs/dbraw/zinc/12/29/49/158122949.db2.gz BQDGSYIYPHZMEW-LBPRGKRZSA-N 1 1 294.355 1.739 10 5 CDBEMO C[N@H+]1CCO[C@H]2CCN(c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000285193906 290114714 /nfs/dbraw/zinc/11/47/14/290114714.db2.gz WEHZPCLDZWTXBQ-KGLIPLIRSA-N 1 1 277.324 1.504 10 5 CDBEMO COc1cc(C[N@H+]2CCC[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000574848225 295063098 /nfs/dbraw/zinc/06/30/98/295063098.db2.gz VTXLCCWLKNVZCF-AWEZNQCLSA-N 1 1 280.324 1.950 10 5 CDBEMO CCOC(=O)[C@@]([NH3+])(COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000069194186 521172930 /nfs/dbraw/zinc/17/29/30/521172930.db2.gz XRVOXMJWJBSSQX-CQSZACIVSA-N 1 1 294.307 1.644 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000068652073 523818791 /nfs/dbraw/zinc/81/87/91/523818791.db2.gz VIQTUXGBNDICHL-HZMBPMFUSA-N 1 1 296.323 1.951 10 5 CDBEMO NNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CCCO 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288.307 1.784 10 5 CDBEMO Cc1[nH]c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC001646068302 1167631828 /nfs/dbraw/zinc/63/18/28/1167631828.db2.gz OJUZXZOHAJUPFO-UHFFFAOYSA-N 1 1 288.307 1.794 10 5 CDBEMO Cc1[nH]c(CNc2c([N+](=O)[O-])cnn2C)c(C)[nH+]1 ZINC001651435242 1171324278 /nfs/dbraw/zinc/32/42/78/1171324278.db2.gz VOWCOVJITCANED-UHFFFAOYSA-N 1 1 250.262 1.280 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC001597647636 1174283700 /nfs/dbraw/zinc/28/37/00/1174283700.db2.gz VZHDESMZKPFMTC-SNVBAGLBSA-N 1 1 290.323 1.265 10 5 CDBEMO CC[N@H+](CCNC(C)=O)Cc1ccccc1[N+](=O)[O-] ZINC001713479293 1178595137 /nfs/dbraw/zinc/59/51/37/1178595137.db2.gz QOAGRDSAPHLCJP-UHFFFAOYSA-N 1 1 265.313 1.553 10 5 CDBEMO CC[N@@H+](CCNC(C)=O)Cc1ccccc1[N+](=O)[O-] ZINC001713479293 1178595140 /nfs/dbraw/zinc/59/51/40/1178595140.db2.gz QOAGRDSAPHLCJP-UHFFFAOYSA-N 1 1 265.313 1.553 10 5 CDBEMO CC/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713591091 1178672697 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C[C@]12COC[C@@H]1C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000852534733 789893829 /nfs/dbraw/zinc/89/38/29/789893829.db2.gz OTZPJVNLQXEKPC-CFVMTHIKSA-N 1 1 292.335 1.597 10 5 CDBEMO CCn1ncc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000863562009 790014766 /nfs/dbraw/zinc/01/47/66/790014766.db2.gz GPVHLTBLRWNKDF-CYBMUJFWSA-N 1 1 291.311 1.029 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928458906 793070586 /nfs/dbraw/zinc/07/05/86/793070586.db2.gz ZEWRPRUTMWMJJO-CABZTGNLSA-N 1 1 263.297 1.417 10 5 CDBEMO CCc1nn(C)c(N[C@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000719625941 794372829 /nfs/dbraw/zinc/37/28/29/794372829.db2.gz QBEZEGSSCXYCET-WPRPVWTQSA-N 1 1 267.333 1.395 10 5 CDBEMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000190918307 796154170 /nfs/dbraw/zinc/15/41/70/796154170.db2.gz PKFGVDKHMHIOCN-KOLCDFICSA-N 1 1 268.288 1.794 10 5 CDBEMO O=C(NC1CC[NH+](C2CCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001635641294 1166606558 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Cc1ccc(C[NH2+]C2(C(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000414489008 241227987 /nfs/dbraw/zinc/22/79/87/241227987.db2.gz RYDJMEDPDYXFJK-UHFFFAOYSA-N 1 1 277.324 1.614 10 5 CDBEMO Cc1sc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000280221436 367312640 /nfs/dbraw/zinc/31/26/40/367312640.db2.gz LKIGBGPYGDSZFX-UHFFFAOYSA-N 1 1 295.364 1.956 10 5 CDBEMO Cc1sc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000280221436 367312644 /nfs/dbraw/zinc/31/26/44/367312644.db2.gz LKIGBGPYGDSZFX-UHFFFAOYSA-N 1 1 295.364 1.956 10 5 CDBEMO CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462366 374407143 /nfs/dbraw/zinc/40/71/43/374407143.db2.gz MQTVUJXWMIGWQJ-TZMCWYRMSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462366 374407146 /nfs/dbraw/zinc/40/71/46/374407146.db2.gz MQTVUJXWMIGWQJ-TZMCWYRMSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[N@@H+]1CC[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000079462366 374407150 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CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C(C)C ZINC000171139720 376219054 /nfs/dbraw/zinc/21/90/54/376219054.db2.gz WSCDITOQQIOYPO-UHFFFAOYSA-N 1 1 280.328 1.368 10 5 CDBEMO C[N@@H+]1C[C@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193604572 391908124 /nfs/dbraw/zinc/90/81/24/391908124.db2.gz BKANAOKWQROCBD-TXEJJXNPSA-N 1 1 279.315 1.727 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cn1 ZINC000113248458 392870168 /nfs/dbraw/zinc/87/01/68/392870168.db2.gz BZBNGLIIXODTRR-CMPLNLGQSA-N 1 1 262.313 1.663 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525291988 392926163 /nfs/dbraw/zinc/92/61/63/392926163.db2.gz PGWQVZPOWPITPX-SNVBAGLBSA-N 1 1 292.339 1.370 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)CC[C@H]1C ZINC000421007611 392926244 /nfs/dbraw/zinc/92/62/44/392926244.db2.gz HUIMXBBYNRLDDP-ZWNOBZJWSA-N 1 1 280.324 1.949 10 5 CDBEMO CC(=O)N1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000268703589 132052257 /nfs/dbraw/zinc/05/22/57/132052257.db2.gz RUDHEYXHWSDWRU-GFCCVEGCSA-N 1 1 291.351 1.690 10 5 CDBEMO CC(=O)N1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000268703589 132052260 /nfs/dbraw/zinc/05/22/60/132052260.db2.gz RUDHEYXHWSDWRU-GFCCVEGCSA-N 1 1 291.351 1.690 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000302790026 393200741 /nfs/dbraw/zinc/20/07/41/393200741.db2.gz YAOXCZCCVFHKBQ-NSHDSACASA-N 1 1 264.329 1.829 10 5 CDBEMO Cc1cccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000195309231 140153009 /nfs/dbraw/zinc/15/30/09/140153009.db2.gz XTZGHSQNUBHBCR-LBPRGKRZSA-N 1 1 289.335 1.823 10 5 CDBEMO CCc1nn(C)c(N2CCC[N@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000179577570 148121402 /nfs/dbraw/zinc/12/14/02/148121402.db2.gz BXGYXDSCHUHEEN-UHFFFAOYSA-N 1 1 293.371 1.565 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000299901713 149126367 /nfs/dbraw/zinc/12/63/67/149126367.db2.gz DLURSQGTLKRXPO-GXFFZTMASA-N 1 1 280.324 1.806 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000299901713 149126368 /nfs/dbraw/zinc/12/63/68/149126368.db2.gz DLURSQGTLKRXPO-GXFFZTMASA-N 1 1 280.324 1.806 10 5 CDBEMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)[N@@H+](C)C1CC1 ZINC001584748672 1172846437 /nfs/dbraw/zinc/84/64/37/1172846437.db2.gz VCIAVTPHRYRIPT-SECBINFHSA-N 1 1 292.339 1.390 10 5 CDBEMO CCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000352316394 155090140 /nfs/dbraw/zinc/09/01/40/155090140.db2.gz UGCWFCAOWBCSPW-UHFFFAOYSA-N 1 1 295.343 1.233 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C)C2)n1 ZINC000359079532 158120382 /nfs/dbraw/zinc/12/03/82/158120382.db2.gz BUJIZFNFGDFYKY-LLVKDONJSA-N 1 1 264.329 1.970 10 5 CDBEMO O=[N+]([O-])c1ccccc1CN1CCC[N@H+](CCO)CC1 ZINC000071349990 176133322 /nfs/dbraw/zinc/13/33/22/176133322.db2.gz LUADXYBWAIFXLT-UHFFFAOYSA-N 1 1 279.340 1.095 10 5 CDBEMO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302419652 274365923 /nfs/dbraw/zinc/36/59/23/274365923.db2.gz MTBYXDHDFMYXOT-LLVKDONJSA-N 1 1 265.313 1.098 10 5 CDBEMO C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302419652 274365924 /nfs/dbraw/zinc/36/59/24/274365924.db2.gz MTBYXDHDFMYXOT-LLVKDONJSA-N 1 1 265.313 1.098 10 5 CDBEMO CC[C@@H](CO)[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342261973 276426364 /nfs/dbraw/zinc/42/63/64/276426364.db2.gz BUZOFUAGYPUOBA-NSHDSACASA-N 1 1 297.330 1.627 10 5 CDBEMO CC[N@H+]1CC[C@@H]([NH+](C)CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000247268421 280325625 /nfs/dbraw/zinc/32/56/25/280325625.db2.gz VZOJTDUZIJWNBQ-QWHCGFSZSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[NH+]1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000247268421 280325626 /nfs/dbraw/zinc/32/56/26/280325626.db2.gz VZOJTDUZIJWNBQ-QWHCGFSZSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[NH+]1CC[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000247268421 280325627 /nfs/dbraw/zinc/32/56/27/280325627.db2.gz VZOJTDUZIJWNBQ-QWHCGFSZSA-N 1 1 295.387 1.453 10 5 CDBEMO CCN1CC[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000247268421 280325628 /nfs/dbraw/zinc/32/56/28/280325628.db2.gz VZOJTDUZIJWNBQ-QWHCGFSZSA-N 1 1 295.387 1.453 10 5 CDBEMO CCN1CC[C@@H]([N@@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000247268421 280325629 /nfs/dbraw/zinc/32/56/29/280325629.db2.gz VZOJTDUZIJWNBQ-QWHCGFSZSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[N@@H+]1CC[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000247268421 280325630 /nfs/dbraw/zinc/32/56/30/280325630.db2.gz VZOJTDUZIJWNBQ-QWHCGFSZSA-N 1 1 295.387 1.453 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000247268421 280325631 /nfs/dbraw/zinc/32/56/31/280325631.db2.gz VZOJTDUZIJWNBQ-QWHCGFSZSA-N 1 1 295.387 1.453 10 5 CDBEMO O=[N+]([O-])c1ccccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000371804227 280375368 /nfs/dbraw/zinc/37/53/68/280375368.db2.gz VOHDOUZRGPCDMQ-NSHDSACASA-N 1 1 263.297 1.116 10 5 CDBEMO O=[N+]([O-])c1ccccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000371804227 280375370 /nfs/dbraw/zinc/37/53/70/280375370.db2.gz VOHDOUZRGPCDMQ-NSHDSACASA-N 1 1 263.297 1.116 10 5 CDBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000069623488 327100200 /nfs/dbraw/zinc/10/02/00/327100200.db2.gz APMDQOZLQKPZEZ-WCBMZHEXSA-N 1 1 283.353 1.742 10 5 CDBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000069623488 327100202 /nfs/dbraw/zinc/10/02/02/327100202.db2.gz APMDQOZLQKPZEZ-WCBMZHEXSA-N 1 1 283.353 1.742 10 5 CDBEMO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000049198242 519793660 /nfs/dbraw/zinc/79/36/60/519793660.db2.gz GDIKNAFTVCBMQQ-LLVKDONJSA-N 1 1 255.318 1.864 10 5 CDBEMO CC[N@H+](CC(=O)NC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050815089 520327430 /nfs/dbraw/zinc/32/74/30/520327430.db2.gz IHPGPQGPAXWNSH-UHFFFAOYSA-N 1 1 280.328 1.204 10 5 CDBEMO CC[N@@H+](CC(=O)NC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050815089 520327438 /nfs/dbraw/zinc/32/74/38/520327438.db2.gz IHPGPQGPAXWNSH-UHFFFAOYSA-N 1 1 280.328 1.204 10 5 CDBEMO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1nccc1[N+](=O)[O-] ZINC000789517850 1162092549 /nfs/dbraw/zinc/09/25/49/1162092549.db2.gz CEAYLROLMZLQOG-LLVKDONJSA-N 1 1 295.343 1.130 10 5 CDBEMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cn1nccc1[N+](=O)[O-] ZINC000789517850 1162092553 /nfs/dbraw/zinc/09/25/53/1162092553.db2.gz CEAYLROLMZLQOG-LLVKDONJSA-N 1 1 295.343 1.130 10 5 CDBEMO CC[N@@H+](CCO)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050814551 521122294 /nfs/dbraw/zinc/12/22/94/521122294.db2.gz FZXXELGPIYOWAB-UHFFFAOYSA-N 1 1 253.302 1.451 10 5 CDBEMO COCC[NH+](CCOC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050817399 523719976 /nfs/dbraw/zinc/71/99/76/523719976.db2.gz PYFBNNBTBCCMLY-UHFFFAOYSA-N 1 1 283.328 1.272 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000062595845 523913162 /nfs/dbraw/zinc/91/31/62/523913162.db2.gz KCZANRRHCXBHRI-MRVPVSSYSA-N 1 1 288.687 1.517 10 5 CDBEMO COC(=O)[C@](C)([NH3+])C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1C ZINC000068651311 524002228 /nfs/dbraw/zinc/00/22/28/524002228.db2.gz UXAKGJGJFZABRL-QMTHXVAHSA-N 1 1 296.323 1.951 10 5 CDBEMO CNC(=O)C1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCCC1 ZINC000733999822 575151077 /nfs/dbraw/zinc/15/10/77/575151077.db2.gz RYVVHNRQCBALSM-UHFFFAOYSA-N 1 1 295.314 1.882 10 5 CDBEMO CN1CC[N@@H+](C)CC(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000905032510 626375767 /nfs/dbraw/zinc/37/57/67/626375767.db2.gz OGNGRTUHFSPJNV-UHFFFAOYSA-N 1 1 292.339 1.027 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000866206007 1164750086 /nfs/dbraw/zinc/75/00/86/1164750086.db2.gz HZJMQAPAYXMSDR-PWSUYJOCSA-N 1 1 262.313 1.520 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3cc(N)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000866209286 1164752806 /nfs/dbraw/zinc/75/28/06/1164752806.db2.gz QKKWADGPCWUJJU-CMPLNLGQSA-N 1 1 276.340 1.707 10 5 CDBEMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H](O)C2)o1 ZINC001615450980 1165556757 /nfs/dbraw/zinc/55/67/57/1165556757.db2.gz IJZMJPNMIWFRLJ-VIFPVBQESA-N 1 1 290.279 1.211 10 5 CDBEMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@H](O)C2)o1 ZINC001615450980 1165556764 /nfs/dbraw/zinc/55/67/64/1165556764.db2.gz IJZMJPNMIWFRLJ-VIFPVBQESA-N 1 1 290.279 1.211 10 5 CDBEMO CC(C)(CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[N+](=O)[O-] ZINC001626363114 1165934024 /nfs/dbraw/zinc/93/40/24/1165934024.db2.gz IFPKPIKKMBEJMB-LLVKDONJSA-N 1 1 283.372 1.422 10 5 CDBEMO O=C(N[C@H]1CC[C@H]([NH2+]CCCF)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001666283759 1173123289 /nfs/dbraw/zinc/12/32/89/1173123289.db2.gz TULDRWXUGRUEGJ-DDHJBXDOSA-N 1 1 287.335 1.028 10 5 CDBEMO C[C@H]1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1C ZINC001620944247 1174171802 /nfs/dbraw/zinc/17/18/02/1174171802.db2.gz KATHSLOGJPJGCV-WDEREUQCSA-N 1 1 271.361 1.421 10 5 CDBEMO CC(C)CC[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001700971169 1177214985 /nfs/dbraw/zinc/21/49/85/1177214985.db2.gz NUNMFCMDUYTTMU-ZIAGYGMSSA-N 1 1 299.415 1.867 10 5 CDBEMO CC(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001700971169 1177214990 /nfs/dbraw/zinc/21/49/90/1177214990.db2.gz NUNMFCMDUYTTMU-ZIAGYGMSSA-N 1 1 299.415 1.867 10 5 CDBEMO CC(C)CC[N@@H+](C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001700971169 1177214999 /nfs/dbraw/zinc/21/49/99/1177214999.db2.gz NUNMFCMDUYTTMU-ZIAGYGMSSA-N 1 1 299.415 1.867 10 5 CDBEMO CCCC(=O)NCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001713444601 1178563611 /nfs/dbraw/zinc/56/36/11/1178563611.db2.gz XCBIGBPEKMJPHN-UHFFFAOYSA-N 1 1 279.340 1.943 10 5 CDBEMO CCCC(=O)NCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001713444601 1178563614 /nfs/dbraw/zinc/56/36/14/1178563614.db2.gz XCBIGBPEKMJPHN-UHFFFAOYSA-N 1 1 279.340 1.943 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000922157335 811809414 /nfs/dbraw/zinc/80/94/14/811809414.db2.gz XJASRLGRWJBMLE-NSHDSACASA-N 1 1 295.314 1.487 10 5 CDBEMO C[C@]12CN(CC[N+](=O)[O-])C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000931612560 805016569 /nfs/dbraw/zinc/01/65/69/805016569.db2.gz HZEDXTTWFUJDCI-JKSUJKDBSA-N 1 1 289.379 1.717 10 5 CDBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827384589 812094668 /nfs/dbraw/zinc/09/46/68/812094668.db2.gz VEGZRTXUNPNGJE-PHIMTYICSA-N 1 1 271.361 1.373 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCO[C@H]1CCOC1)C2 ZINC000930099511 812194252 /nfs/dbraw/zinc/19/42/52/812194252.db2.gz MAUAAXWLXGJOPS-ZDUSSCGKSA-N 1 1 292.335 1.758 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCO[C@H]1CCOC1)C2 ZINC000930099511 812194285 /nfs/dbraw/zinc/19/42/85/812194285.db2.gz MAUAAXWLXGJOPS-ZDUSSCGKSA-N 1 1 292.335 1.758 10 5 CDBEMO O=C1CC[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000851906987 812878817 /nfs/dbraw/zinc/87/88/17/812878817.db2.gz CEYZHXYAJSESDE-NSHDSACASA-N 1 1 277.280 1.054 10 5 CDBEMO C[C@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000719607893 812911013 /nfs/dbraw/zinc/91/10/13/812911013.db2.gz COZWUXICPAMFAZ-ZANVPECISA-N 1 1 267.304 1.916 10 5 CDBEMO C[C@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000719607893 812911065 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CDBEMO O=C(NCC[NH+]1CC=CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001136908953 931476596 /nfs/dbraw/zinc/47/65/96/931476596.db2.gz LJTTWOZHWQBASU-UHFFFAOYSA-N 1 1 295.726 1.850 10 5 CDBEMO CCc1[nH+]ccn1CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000719678786 932191830 /nfs/dbraw/zinc/19/18/30/932191830.db2.gz YHNIJJMLVIJJPL-UHFFFAOYSA-N 1 1 295.730 1.936 10 5 CDBEMO COC1(OC)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000931639362 933600012 /nfs/dbraw/zinc/60/00/12/933600012.db2.gz IURNXJCQSVZHJK-ZDUSSCGKSA-N 1 1 296.323 1.151 10 5 CDBEMO Cc1cc(N2CC[N@H+](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000687589593 934327303 /nfs/dbraw/zinc/32/73/03/934327303.db2.gz WMDNNUOCWWOSEV-LBPRGKRZSA-N 1 1 265.313 1.016 10 5 CDBEMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCOC1=S ZINC000800865520 935943264 /nfs/dbraw/zinc/94/32/64/935943264.db2.gz FAPWAQWLUDKAIP-UHFFFAOYSA-N 1 1 295.364 1.644 10 5 CDBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1CCOC1=S ZINC000800865520 935943266 /nfs/dbraw/zinc/94/32/66/935943266.db2.gz FAPWAQWLUDKAIP-UHFFFAOYSA-N 1 1 295.364 1.644 10 5 CDBEMO CCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001265192326 944266572 /nfs/dbraw/zinc/26/65/72/944266572.db2.gz XMKHVFHHODOIQA-ZIAGYGMSSA-N 1 1 297.399 1.765 10 5 CDBEMO Cc1[nH]nc(C(=O)N2CC[C@H](CC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001558291664 965259626 /nfs/dbraw/zinc/25/96/26/965259626.db2.gz BWJIANLYORUQOD-JTQLQIEISA-N 1 1 295.343 1.040 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC001559305279 965430615 /nfs/dbraw/zinc/43/06/15/965430615.db2.gz CCMMEKAUFYGHEW-QMMMGPOBSA-N 1 1 256.331 1.582 10 5 CDBEMO CO[C@H]1C[C@@H](CN(C)c2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000585783497 342455523 /nfs/dbraw/zinc/45/55/23/342455523.db2.gz JBQQZAHFCVFFQT-RYUDHWBXSA-N 1 1 279.340 1.750 10 5 CDBEMO C[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000601122187 342471382 /nfs/dbraw/zinc/47/13/82/342471382.db2.gz UNPVTPKMMJZRLP-JTQLQIEISA-N 1 1 298.318 1.509 10 5 CDBEMO CC(C)[C@@H](O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 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296.348 1.179 10 5 CDBEMO C[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000593725796 342829476 /nfs/dbraw/zinc/82/94/76/342829476.db2.gz WKNDCOMISVPSMG-IINYFYTJSA-N 1 1 279.340 1.860 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000588811050 342222044 /nfs/dbraw/zinc/22/20/44/342222044.db2.gz VCJUAXDPTZAHTJ-LLVKDONJSA-N 1 1 279.344 1.404 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000595754419 343153235 /nfs/dbraw/zinc/15/32/35/343153235.db2.gz BDDGACJQBXYDQH-LLVKDONJSA-N 1 1 270.308 1.863 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000596308479 343293849 /nfs/dbraw/zinc/29/38/49/343293849.db2.gz SSRGAOLQLSHMRN-SNVBAGLBSA-N 1 1 264.329 1.696 10 5 CDBEMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295058214 199322561 /nfs/dbraw/zinc/32/25/61/199322561.db2.gz GHLJZKBNAUORSJ-GJZGRUSLSA-N 1 1 291.351 1.500 10 5 CDBEMO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599054991 343946629 /nfs/dbraw/zinc/94/66/29/343946629.db2.gz LQYWKYXDBKCKNM-GWCFXTLKSA-N 1 1 290.323 1.713 10 5 CDBEMO Cn1c(C(=O)N2CC[NH+](CCCF)CC2)ccc1[N+](=O)[O-] ZINC000600071540 344170966 /nfs/dbraw/zinc/17/09/66/344170966.db2.gz DGWNAWJLHGQLFO-UHFFFAOYSA-N 1 1 298.318 1.051 10 5 CDBEMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000292856954 362515032 /nfs/dbraw/zinc/51/50/32/362515032.db2.gz AJSXLILOANGHIE-GRYCIOLGSA-N 1 1 280.324 1.675 10 5 CDBEMO COc1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-] ZINC000295097129 199343501 /nfs/dbraw/zinc/34/35/01/199343501.db2.gz ULSGADFXSYOVPD-ZWNOBZJWSA-N 1 1 280.324 1.949 10 5 CDBEMO C[C@H](CO)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000611236116 346704290 /nfs/dbraw/zinc/70/42/90/346704290.db2.gz HFFIKCROYASJQN-WDEREUQCSA-N 1 1 280.328 1.104 10 5 CDBEMO CCCNC(=O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000036780905 363012261 /nfs/dbraw/zinc/01/22/61/363012261.db2.gz LUINAMDYDXDLES-SNVBAGLBSA-N 1 1 265.313 1.772 10 5 CDBEMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000155286308 188196048 /nfs/dbraw/zinc/19/60/48/188196048.db2.gz VJJNLWIYHGCRTI-DTORHVGOSA-N 1 1 267.285 1.352 10 5 CDBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000155286308 188196050 /nfs/dbraw/zinc/19/60/50/188196050.db2.gz VJJNLWIYHGCRTI-DTORHVGOSA-N 1 1 267.285 1.352 10 5 CDBEMO CN(C)C(=O)C1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000411914117 363374714 /nfs/dbraw/zinc/37/47/14/363374714.db2.gz PLRYRNFPLJBYQL-UHFFFAOYSA-N 1 1 263.297 1.305 10 5 CDBEMO CC[N@H+](CCc1nccs1)CCn1ccc([N+](=O)[O-])n1 ZINC000159197810 358803541 /nfs/dbraw/zinc/80/35/41/358803541.db2.gz CRHPFGBJOQFKMN-UHFFFAOYSA-N 1 1 295.368 1.812 10 5 CDBEMO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347901844 359924376 /nfs/dbraw/zinc/92/43/76/359924376.db2.gz UWUSJRZNFPUTPN-SNVBAGLBSA-N 1 1 278.312 1.232 10 5 CDBEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408309629 360498896 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O=[N+]([O-])c1cnccc1N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357556162 375916549 /nfs/dbraw/zinc/91/65/49/375916549.db2.gz FOSWSLVKVIDSHK-QMMMGPOBSA-N 1 1 259.269 1.104 10 5 CDBEMO O=[N+]([O-])c1cnccc1N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357556162 375916553 /nfs/dbraw/zinc/91/65/53/375916553.db2.gz FOSWSLVKVIDSHK-QMMMGPOBSA-N 1 1 259.269 1.104 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195093228 375985159 /nfs/dbraw/zinc/98/51/59/375985159.db2.gz JZFXMQJILVTTMP-JTQLQIEISA-N 1 1 279.296 1.498 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])o1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195093228 375985164 /nfs/dbraw/zinc/98/51/64/375985164.db2.gz JZFXMQJILVTTMP-JTQLQIEISA-N 1 1 279.296 1.498 10 5 CDBEMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(C)CCCC1 ZINC000489858666 253014009 /nfs/dbraw/zinc/01/40/09/253014009.db2.gz ZCHCJBSXFQIIQM-GFCCVEGCSA-N 1 1 282.344 1.417 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491881715 253111310 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CCCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1C ZINC000183287202 520450453 /nfs/dbraw/zinc/45/04/53/520450453.db2.gz GBTWIERPZALLFH-UHFFFAOYSA-N 1 1 279.340 1.991 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@@H](C)Oc1cccc([N+](=O)[O-])c1C ZINC000068651251 523818281 /nfs/dbraw/zinc/81/82/81/523818281.db2.gz QAGFSTUVKWRHAJ-OTYXRUKQSA-N 1 1 296.323 1.951 10 5 CDBEMO COC(=O)[C@]([NH3+])(COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000069194137 524005952 /nfs/dbraw/zinc/00/59/52/524005952.db2.gz OVYVFBJLVLPPJY-ZDUSSCGKSA-N 1 1 280.280 1.254 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000729919516 574827644 /nfs/dbraw/zinc/82/76/44/574827644.db2.gz PHFHVESOSHREGI-PPGNKHEKSA-N 1 1 289.335 1.818 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000747473416 576872056 /nfs/dbraw/zinc/87/20/56/576872056.db2.gz TVJNSNFSQVYKRU-ZDUSSCGKSA-N 1 1 280.328 1.641 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000747473416 576872057 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C[N@H+]1CCO[C@@H](CSCc2cccnc2[N+](=O)[O-])C1 ZINC000917908912 632297701 /nfs/dbraw/zinc/29/77/01/632297701.db2.gz AOVBMYSRGGYONX-LLVKDONJSA-N 1 1 283.353 1.554 10 5 CDBEMO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872092762 1165380354 /nfs/dbraw/zinc/38/03/54/1165380354.db2.gz QNUGEOYJTKPYAD-HLUHBDAQSA-N 1 1 284.287 1.534 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)n1 ZINC001626976690 1165970051 /nfs/dbraw/zinc/97/00/51/1165970051.db2.gz DNOKPDSDLATHFP-LLVKDONJSA-N 1 1 294.355 1.757 10 5 CDBEMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001654790755 1171639058 /nfs/dbraw/zinc/63/90/58/1171639058.db2.gz HITWDYKUURAFQE-SNVBAGLBSA-N 1 1 290.327 1.209 10 5 CDBEMO O=C1OCC[C@@]12CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001656566512 1171843055 /nfs/dbraw/zinc/84/30/55/1171843055.db2.gz ALKZIBXLSYBDEF-OAHLLOKOSA-N 1 1 290.319 1.776 10 5 CDBEMO Cc1noc(C[N@@H+]2CC[C@H](c3cnccn3)C2)c1[N+](=O)[O-] ZINC001660352311 1172202973 /nfs/dbraw/zinc/20/29/73/1172202973.db2.gz NTUNDDAZAFIMSK-JTQLQIEISA-N 1 1 289.295 1.671 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@H](c3cnccn3)C2)c1[N+](=O)[O-] ZINC001660352311 1172202976 /nfs/dbraw/zinc/20/29/76/1172202976.db2.gz NTUNDDAZAFIMSK-JTQLQIEISA-N 1 1 289.295 1.671 10 5 CDBEMO CCC[N@@H+](CC)CCNc1nn(C)cc1[N+](=O)[O-] ZINC000220196682 1177909034 /nfs/dbraw/zinc/90/90/34/1177909034.db2.gz OWBIWXZMIFPBID-UHFFFAOYSA-N 1 1 255.322 1.472 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1CC ZINC000712543859 822707818 /nfs/dbraw/zinc/70/78/18/822707818.db2.gz VCDFGRZTNOHASG-JTQLQIEISA-N 1 1 267.333 1.626 10 5 CDBEMO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830715014 828549318 /nfs/dbraw/zinc/54/93/18/828549318.db2.gz STQOMOLJCPLURG-CFVMTHIKSA-N 1 1 294.351 1.721 10 5 CDBEMO Cc1ccc(N2CC[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000829578188 823936108 /nfs/dbraw/zinc/93/61/08/823936108.db2.gz WMLJADJFGXOWKW-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CC[N+](=O)[O-] ZINC000931567185 824268882 /nfs/dbraw/zinc/26/88/82/824268882.db2.gz OXHJEDITEKUIIK-NWDGAFQWSA-N 1 1 299.371 1.737 10 5 CDBEMO CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CC[N+](=O)[O-] ZINC000931567185 824268892 /nfs/dbraw/zinc/26/88/92/824268892.db2.gz OXHJEDITEKUIIK-NWDGAFQWSA-N 1 1 299.371 1.737 10 5 CDBEMO C[C@@](CO)(NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000931469041 824720338 /nfs/dbraw/zinc/72/03/38/824720338.db2.gz NCOLFZFKISMOSJ-HNNXBMFYSA-N 1 1 293.367 1.488 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000844314130 824817413 /nfs/dbraw/zinc/81/74/13/824817413.db2.gz PVFSIVQGHCZWNT-RNCFNFMXSA-N 1 1 276.292 1.976 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000844314130 824817419 /nfs/dbraw/zinc/81/74/19/824817419.db2.gz PVFSIVQGHCZWNT-RNCFNFMXSA-N 1 1 276.292 1.976 10 5 CDBEMO C[C@H](CO)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000121598765 825053016 /nfs/dbraw/zinc/05/30/16/825053016.db2.gz CTNYCXQGDPQAJM-JTQLQIEISA-N 1 1 250.298 1.581 10 5 CDBEMO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872091574 825322539 /nfs/dbraw/zinc/32/25/39/825322539.db2.gz JRXIFZJXLUGDBG-ZOFUNIGCSA-N 1 1 270.260 1.144 10 5 CDBEMO Cc1noc(CO[NH+]=C(N)[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000853731989 825575324 /nfs/dbraw/zinc/57/53/24/825575324.db2.gz UWQHHXUURXOIIB-FSPLSTOPSA-N 1 1 254.246 1.546 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000719383012 826218919 /nfs/dbraw/zinc/21/89/19/826218919.db2.gz YFUOGOTZODQCNN-KWQFWETISA-N 1 1 281.287 1.556 10 5 CDBEMO C[C@@H]1[C@H](NCc2csc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000719558375 826330115 /nfs/dbraw/zinc/33/01/15/826330115.db2.gz LLKXTWDLXFBYHL-PSASIEDQSA-N 1 1 255.343 1.839 10 5 CDBEMO C[C@@H]1[C@H](NCc2csc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000719558375 826330120 /nfs/dbraw/zinc/33/01/20/826330120.db2.gz LLKXTWDLXFBYHL-PSASIEDQSA-N 1 1 255.343 1.839 10 5 CDBEMO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030892 827021930 /nfs/dbraw/zinc/02/19/30/827021930.db2.gz KJCGHXVGKUVMQF-IUCAKERBSA-N 1 1 281.287 1.615 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001642757572 1167194499 /nfs/dbraw/zinc/19/44/99/1167194499.db2.gz WDOQVJKNSFRALZ-JTQLQIEISA-N 1 1 278.312 1.001 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721798286 827920786 /nfs/dbraw/zinc/92/07/86/827920786.db2.gz KDDOOBSNMSRWHY-LLVKDONJSA-N 1 1 282.344 1.193 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCn1cnnc1 ZINC001644373698 1167313241 /nfs/dbraw/zinc/31/32/41/1167313241.db2.gz DCUVVWBAGWPOJC-UHFFFAOYSA-N 1 1 291.311 1.327 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCn1cnnc1 ZINC001644373698 1167313247 /nfs/dbraw/zinc/31/32/47/1167313247.db2.gz DCUVVWBAGWPOJC-UHFFFAOYSA-N 1 1 291.311 1.327 10 5 CDBEMO C[N@H+]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178704626 915601542 /nfs/dbraw/zinc/60/15/42/915601542.db2.gz ZLSOTDLPUFPTQD-CYBMUJFWSA-N 1 1 291.351 1.594 10 5 CDBEMO CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001265161561 944256858 /nfs/dbraw/zinc/25/68/58/944256858.db2.gz RZHOQVHKYAXSND-ZIAGYGMSSA-N 1 1 295.383 1.589 10 5 CDBEMO CC(C)=CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001265161561 944256873 /nfs/dbraw/zinc/25/68/73/944256873.db2.gz RZHOQVHKYAXSND-ZIAGYGMSSA-N 1 1 295.383 1.589 10 5 CDBEMO CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001265161561 944256882 /nfs/dbraw/zinc/25/68/82/944256882.db2.gz RZHOQVHKYAXSND-ZIAGYGMSSA-N 1 1 295.383 1.589 10 5 CDBEMO Cc1[nH]nc(C(=O)Nc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC001319180058 958415832 /nfs/dbraw/zinc/41/58/32/958415832.db2.gz MZYZCFQTUNCIGT-UHFFFAOYSA-N 1 1 275.268 1.312 10 5 CDBEMO Nc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC001556445935 965041123 /nfs/dbraw/zinc/04/11/23/965041123.db2.gz PLAMCHNPOCRUQR-UHFFFAOYSA-N 1 1 290.323 1.169 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC001457418997 969159152 /nfs/dbraw/zinc/15/91/52/969159152.db2.gz YWLGCGXDVCWRQC-VIFPVBQESA-N 1 1 266.301 1.089 10 5 CDBEMO Cn1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC001656563189 1171843581 /nfs/dbraw/zinc/84/35/81/1171843581.db2.gz XNKSTNQBDOVICS-LBPRGKRZSA-N 1 1 296.371 1.965 10 5 CDBEMO Cn1cc(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC001656563189 1171843590 /nfs/dbraw/zinc/84/35/90/1171843590.db2.gz XNKSTNQBDOVICS-LBPRGKRZSA-N 1 1 296.371 1.965 10 5 CDBEMO C[C@@H]1[C@@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000590659793 342581377 /nfs/dbraw/zinc/58/13/77/342581377.db2.gz PPFGPWNAAWQVLK-RNCFNFMXSA-N 1 1 294.307 1.416 10 5 CDBEMO C[C@@H]1[C@@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000590659793 342581378 /nfs/dbraw/zinc/58/13/78/342581378.db2.gz PPFGPWNAAWQVLK-RNCFNFMXSA-N 1 1 294.307 1.416 10 5 CDBEMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000593060528 342760973 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CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000595753296 343153100 /nfs/dbraw/zinc/15/31/00/343153100.db2.gz YLTJHFADZQMMNH-CYBMUJFWSA-N 1 1 280.328 1.028 10 5 CDBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000595833874 343169889 /nfs/dbraw/zinc/16/98/89/343169889.db2.gz SMZLUMGVAGNIDI-QWHCGFSZSA-N 1 1 292.335 1.942 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000596308831 343294031 /nfs/dbraw/zinc/29/40/31/343294031.db2.gz WFZILAGRUPFBHW-SNVBAGLBSA-N 1 1 264.329 1.696 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(CO)(CO)C1 ZINC000597218769 343483373 /nfs/dbraw/zinc/48/33/73/343483373.db2.gz LIXVAXDHJVKQPD-UHFFFAOYSA-N 1 1 280.324 1.080 10 5 CDBEMO COc1ccc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1[N+](=O)[O-] ZINC000599682261 344118448 /nfs/dbraw/zinc/11/84/48/344118448.db2.gz XWHBWDAVPSCGFL-NJZAAPMLSA-N 1 1 292.335 1.949 10 5 CDBEMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000120544584 362459709 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CDBEMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000182216000 357422094 /nfs/dbraw/zinc/42/20/94/357422094.db2.gz WEZSIRIMSONPFQ-UHFFFAOYSA-N 1 1 298.364 1.710 10 5 CDBEMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000182216000 357422096 /nfs/dbraw/zinc/42/20/96/357422096.db2.gz WEZSIRIMSONPFQ-UHFFFAOYSA-N 1 1 298.364 1.710 10 5 CDBEMO Cn1cc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000174866213 364585641 /nfs/dbraw/zinc/58/56/41/364585641.db2.gz HSQNCJHVNHFOGR-NSHDSACASA-N 1 1 290.327 1.014 10 5 CDBEMO C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000075138964 367900029 /nfs/dbraw/zinc/90/00/29/367900029.db2.gz WXBAVNQDBASSJN-UHFFFAOYSA-N 1 1 295.339 1.626 10 5 CDBEMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000330906919 203378123 /nfs/dbraw/zinc/37/81/23/203378123.db2.gz BSKSZWUWQMQKFP-NOZJJQNGSA-N 1 1 298.314 1.945 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000330906919 203378127 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CC[N@H+]1CCC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173563601 378620954 /nfs/dbraw/zinc/62/09/54/378620954.db2.gz FIWWYKVWCQVWQZ-CYBMUJFWSA-N 1 1 291.351 1.738 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000279164269 194312160 /nfs/dbraw/zinc/31/21/60/194312160.db2.gz AYFHIHZPSRGCDT-OAHLLOKOSA-N 1 1 289.335 1.615 10 5 CDBEMO CC(C)[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000432843003 390491454 /nfs/dbraw/zinc/49/14/54/390491454.db2.gz NBLAYSMYYNXUJV-CYBMUJFWSA-N 1 1 265.313 1.365 10 5 CDBEMO CC(C)[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000432843003 390491455 /nfs/dbraw/zinc/49/14/55/390491455.db2.gz NBLAYSMYYNXUJV-CYBMUJFWSA-N 1 1 265.313 1.365 10 5 CDBEMO C[N@H+]1CC[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000408463171 391642757 /nfs/dbraw/zinc/64/27/57/391642757.db2.gz BIZBSDHHXKAUEQ-BXKDBHETSA-N 1 1 280.303 1.659 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408464283 391646466 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CCOC(=O)[C@H]([NH3+])CCOc1cccc([N+](=O)[O-])c1C ZINC000062540517 521258397 /nfs/dbraw/zinc/25/83/97/521258397.db2.gz YFPOVLZIRZRGLL-SNVBAGLBSA-N 1 1 282.296 1.563 10 5 CDBEMO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049201778 521743760 /nfs/dbraw/zinc/74/37/60/521743760.db2.gz BPMRJJXXQDNIMM-MRVPVSSYSA-N 1 1 269.276 1.348 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCSc1ccccc1[N+](=O)[O-] ZINC000062596751 523601446 /nfs/dbraw/zinc/60/14/46/523601446.db2.gz YKMVLXVBPIMBBE-QMMMGPOBSA-N 1 1 270.310 1.577 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCOc1ccc([N+](=O)[O-])cc1F ZINC000062540948 523601248 /nfs/dbraw/zinc/60/12/48/523601248.db2.gz VEZHONFRKWFOTD-VIFPVBQESA-N 1 1 272.232 1.003 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1ccc([N+](=O)[O-])cc1F ZINC000062540945 523912501 /nfs/dbraw/zinc/91/25/01/523912501.db2.gz VEZHONFRKWFOTD-SECBINFHSA-N 1 1 272.232 1.003 10 5 CDBEMO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000050443442 525441297 /nfs/dbraw/zinc/44/12/97/525441297.db2.gz WHGLWMDNZVQHNA-LURJTMIESA-N 1 1 257.677 1.212 10 5 CDBEMO Cc1[nH+]ccn1CCOc1ccc([N+](=O)[O-])cc1C=O ZINC000049330586 527434777 /nfs/dbraw/zinc/43/47/77/527434777.db2.gz XHWYBLIKRXIPHH-UHFFFAOYSA-N 1 1 275.264 1.991 10 5 CDBEMO Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000729525066 574813827 /nfs/dbraw/zinc/81/38/27/574813827.db2.gz ADZHVLAELZAYOG-JTQLQIEISA-N 1 1 292.339 1.309 10 5 CDBEMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928453787 619118996 /nfs/dbraw/zinc/11/89/96/619118996.db2.gz LHOPXZGAPDWVOA-JQWIXIFHSA-N 1 1 277.324 1.726 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928563246 619392898 /nfs/dbraw/zinc/39/28/98/619392898.db2.gz OYXVZPLECSBKIE-LLVKDONJSA-N 1 1 263.297 1.337 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928563246 619392901 /nfs/dbraw/zinc/39/29/01/619392901.db2.gz OYXVZPLECSBKIE-LLVKDONJSA-N 1 1 263.297 1.337 10 5 CDBEMO Cc1[nH]c(Cn2cc([N+](=O)[O-])c(C)cc2=O)c(C)[nH+]1 ZINC000917220973 632176746 /nfs/dbraw/zinc/17/67/46/632176746.db2.gz KFKHUOSXGSCSKD-UHFFFAOYSA-N 1 1 262.269 1.453 10 5 CDBEMO C[N@@H+]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001652491458 1171442349 /nfs/dbraw/zinc/44/23/49/1171442349.db2.gz JQHAFEPRZIDYNR-LBPRGKRZSA-N 1 1 293.323 1.370 10 5 CDBEMO C[N@H+]1C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001652491458 1171442354 /nfs/dbraw/zinc/44/23/54/1171442354.db2.gz JQHAFEPRZIDYNR-LBPRGKRZSA-N 1 1 293.323 1.370 10 5 CDBEMO Cc1ccc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC001620677752 1172604924 /nfs/dbraw/zinc/60/49/24/1172604924.db2.gz WWTSBIPLDFHHSQ-KGLIPLIRSA-N 1 1 294.351 1.326 10 5 CDBEMO COC[C@@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001618077197 1165621053 /nfs/dbraw/zinc/62/10/53/1165621053.db2.gz YYHYDMNOAUOTNB-AWEZNQCLSA-N 1 1 295.339 1.115 10 5 CDBEMO CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830719886 833288333 /nfs/dbraw/zinc/28/83/33/833288333.db2.gz JEVKKLZLGGYKHL-CFVMTHIKSA-N 1 1 294.351 1.721 10 5 CDBEMO C[C@H](C[N+](=O)[O-])OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000814037205 833336784 /nfs/dbraw/zinc/33/67/84/833336784.db2.gz UIZGTOSFIJRSJB-BXKDBHETSA-N 1 1 276.308 1.407 10 5 CDBEMO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1[nH+]ccn1CC(F)F ZINC000871671787 833379385 /nfs/dbraw/zinc/37/93/85/833379385.db2.gz OMVOSKFSWOOLHL-UHFFFAOYSA-N 1 1 298.249 1.575 10 5 CDBEMO Cc1nc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866204918 829825141 /nfs/dbraw/zinc/82/51/41/829825141.db2.gz HWBWRMOEEFNCBW-WCQYABFASA-N 1 1 276.340 1.829 10 5 CDBEMO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000095017762 829934430 /nfs/dbraw/zinc/93/44/30/829934430.db2.gz VKAUSLJKWFIWBJ-KOLCDFICSA-N 1 1 296.298 1.975 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000794955254 832269492 /nfs/dbraw/zinc/26/94/92/832269492.db2.gz RKVZMMYOFKTSRA-QMTHXVAHSA-N 1 1 279.315 1.870 10 5 CDBEMO 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CDBEMO C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000593724970 342829315 /nfs/dbraw/zinc/82/93/15/342829315.db2.gz CWNCHMXGHGLFDK-QWRGUYRKSA-N 1 1 279.340 1.860 10 5 CDBEMO [NH3+]CCCOCCNCc1ccc([N+](=O)[O-])cc1F ZINC000600677541 342242082 /nfs/dbraw/zinc/24/20/82/342242082.db2.gz FLGBNTKOHCNKAM-UHFFFAOYSA-N 1 1 271.292 1.189 10 5 CDBEMO C[NH2+]CCOCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000600724604 342244968 /nfs/dbraw/zinc/24/49/68/342244968.db2.gz BVURJRYEXMZXBW-UHFFFAOYSA-N 1 1 281.356 1.571 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1CN(C)CCOCC[NH3+] ZINC000600773503 342248350 /nfs/dbraw/zinc/24/83/50/342248350.db2.gz ITCAWWIUVRRTSV-UHFFFAOYSA-N 1 1 267.329 1.310 10 5 CDBEMO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595748833 343151618 /nfs/dbraw/zinc/15/16/18/343151618.db2.gz IFGMOBNKMFPOMV-JYAVWHMHSA-N 1 1 294.351 1.922 10 5 CDBEMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCOC1 ZINC000611268574 346730629 /nfs/dbraw/zinc/73/06/29/346730629.db2.gz VYKNMTOSNJKSJW-NSHDSACASA-N 1 1 294.307 1.587 10 5 CDBEMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCOC1 ZINC000611268574 346730631 /nfs/dbraw/zinc/73/06/31/346730631.db2.gz VYKNMTOSNJKSJW-NSHDSACASA-N 1 1 294.307 1.587 10 5 CDBEMO C[N@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000615279327 348420495 /nfs/dbraw/zinc/42/04/95/348420495.db2.gz PXHFNVBGDZCCDV-SNVBAGLBSA-N 1 1 294.355 1.423 10 5 CDBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000266075356 362937221 /nfs/dbraw/zinc/93/72/21/362937221.db2.gz MUCUJFAQNHLSPE-LBPRGKRZSA-N 1 1 291.351 1.975 10 5 CDBEMO CC[N@H+]1CCC[C@H]1CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000175338135 356226159 /nfs/dbraw/zinc/22/61/59/356226159.db2.gz VPRWFCYSUVVOTC-LBPRGKRZSA-N 1 1 281.360 1.207 10 5 CDBEMO CO[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1C ZINC000189252827 357988758 /nfs/dbraw/zinc/98/87/58/357988758.db2.gz GXWNADMPSBLCJR-YPMHNXCESA-N 1 1 295.339 1.113 10 5 CDBEMO C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000305761125 358652834 /nfs/dbraw/zinc/65/28/34/358652834.db2.gz KRTQOJIYHJIMFZ-SMDDNHRTSA-N 1 1 280.324 1.676 10 5 CDBEMO Cn1cc([C@H]2CCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000176229809 358743016 /nfs/dbraw/zinc/74/30/16/358743016.db2.gz OCVBHBILYBQINW-GFCCVEGCSA-N 1 1 290.327 1.362 10 5 CDBEMO CCOC(=O)COCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000347745615 359473495 /nfs/dbraw/zinc/47/34/95/359473495.db2.gz VKEGZGHCQUJAMG-UHFFFAOYSA-N 1 1 296.323 1.606 10 5 CDBEMO CCOC(=O)COCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000347745615 359473499 /nfs/dbraw/zinc/47/34/99/359473499.db2.gz VKEGZGHCQUJAMG-UHFFFAOYSA-N 1 1 296.323 1.606 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000248146918 360409169 /nfs/dbraw/zinc/40/91/69/360409169.db2.gz QHTQOSAZRNWUML-GXTWGEPZSA-N 1 1 294.355 1.418 10 5 CDBEMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cn1 ZINC000531878507 374513849 /nfs/dbraw/zinc/51/38/49/374513849.db2.gz ZIYCERKSKDFEJQ-AAEUAGOBSA-N 1 1 290.323 1.346 10 5 CDBEMO COc1cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000447801123 374712238 /nfs/dbraw/zinc/71/22/38/374712238.db2.gz ZDJBFDHDAOXOGO-CYBMUJFWSA-N 1 1 280.324 1.806 10 5 CDBEMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000331126147 374892934 /nfs/dbraw/zinc/89/29/34/374892934.db2.gz DHJHAEUESVJMET-NSHDSACASA-N 1 1 297.330 1.232 10 5 CDBEMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000173575589 378645588 /nfs/dbraw/zinc/64/55/88/378645588.db2.gz WDLOASSQDUDXRS-CQSZACIVSA-N 1 1 289.335 1.444 10 5 CDBEMO CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246127735 379434661 /nfs/dbraw/zinc/43/46/61/379434661.db2.gz DVRVJOPHHAEXGU-GHMZBOCLSA-N 1 1 279.340 1.970 10 5 CDBEMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)cn1 ZINC000450587844 251352872 /nfs/dbraw/zinc/35/28/72/251352872.db2.gz ADIMKHFYASZSCX-LBPRGKRZSA-N 1 1 280.328 1.249 10 5 CDBEMO CC[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451157131 390602514 /nfs/dbraw/zinc/60/25/14/390602514.db2.gz HDAFDOWIIPULPD-LLVKDONJSA-N 1 1 268.313 1.806 10 5 CDBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000338992746 390680441 /nfs/dbraw/zinc/68/04/41/390680441.db2.gz MGGKHLQHUAJWNL-CYBMUJFWSA-N 1 1 291.351 1.969 10 5 CDBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000338992746 390680444 /nfs/dbraw/zinc/68/04/44/390680444.db2.gz MGGKHLQHUAJWNL-CYBMUJFWSA-N 1 1 291.351 1.969 10 5 CDBEMO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000192567918 533409822 /nfs/dbraw/zinc/40/98/22/533409822.db2.gz IFJBRMUKYKHXPG-JTQLQIEISA-N 1 1 293.323 1.427 10 5 CDBEMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)[C@H](C)[NH3+] ZINC000415015428 391245342 /nfs/dbraw/zinc/24/53/42/391245342.db2.gz NAXDTCWHKCCTOS-OUAUKWLOSA-N 1 1 294.355 1.637 10 5 CDBEMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)[C@H](C)N ZINC000415015428 391245343 /nfs/dbraw/zinc/24/53/43/391245343.db2.gz NAXDTCWHKCCTOS-OUAUKWLOSA-N 1 1 294.355 1.637 10 5 CDBEMO CN(C)CC[N@@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069458135 391981351 /nfs/dbraw/zinc/98/13/51/391981351.db2.gz RFYREIARVKBLRA-UHFFFAOYSA-N 1 1 292.383 1.669 10 5 CDBEMO CN(C)CC[N@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069458135 391981358 /nfs/dbraw/zinc/98/13/58/391981358.db2.gz RFYREIARVKBLRA-UHFFFAOYSA-N 1 1 292.383 1.669 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC1(CO)CC1 ZINC000430197689 393090879 /nfs/dbraw/zinc/09/08/79/393090879.db2.gz WEPCTWYFHUZYQQ-UHFFFAOYSA-N 1 1 280.324 1.808 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000346900101 153342646 /nfs/dbraw/zinc/34/26/46/153342646.db2.gz HMAKNTUIOUXKQX-UHFFFAOYSA-N 1 1 292.339 1.464 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC1(C)C ZINC000346900101 153342650 /nfs/dbraw/zinc/34/26/50/153342650.db2.gz HMAKNTUIOUXKQX-UHFFFAOYSA-N 1 1 292.339 1.464 10 5 CDBEMO CO[C@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000350090824 154325634 /nfs/dbraw/zinc/32/56/34/154325634.db2.gz GVYJKRWNVXYRPF-LLVKDONJSA-N 1 1 270.333 1.537 10 5 CDBEMO COCCC[N@@H+](C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359093825 158125324 /nfs/dbraw/zinc/12/53/24/158125324.db2.gz HTLWGBNDGKYPAR-UHFFFAOYSA-N 1 1 296.371 1.987 10 5 CDBEMO C[N@H+]1CCC[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000040673590 174371796 /nfs/dbraw/zinc/37/17/96/174371796.db2.gz SXXIZJVHJXYBQZ-SNVBAGLBSA-N 1 1 278.312 1.200 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1CN1CCC[N@H+](CCO)CC1 ZINC000071349970 176134035 /nfs/dbraw/zinc/13/40/35/176134035.db2.gz WNWQOBOSOMPJQJ-UHFFFAOYSA-N 1 1 297.330 1.234 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000408464280 274375033 /nfs/dbraw/zinc/37/50/33/274375033.db2.gz DTOFRLMJACAYIO-NXEZZACHSA-N 1 1 280.303 1.802 10 5 CDBEMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+]Cc2ccccc21 ZINC000062818412 280167946 /nfs/dbraw/zinc/16/79/46/280167946.db2.gz RCKRHWNKPFRLHW-UHFFFAOYSA-N 1 1 286.291 1.673 10 5 CDBEMO CCN(CC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001668426217 1173411854 /nfs/dbraw/zinc/41/18/54/1173411854.db2.gz DGQXHPLRFBISBB-VXGBXAGGSA-N 1 1 297.380 1.351 10 5 CDBEMO Cn1cc[nH+]c1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000579237546 324137470 /nfs/dbraw/zinc/13/74/70/324137470.db2.gz TZKRTZCHMXOOTG-UHFFFAOYSA-N 1 1 288.307 1.417 10 5 CDBEMO CCNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000050786335 520328106 /nfs/dbraw/zinc/32/81/06/520328106.db2.gz HIZIZUVEUHEHEQ-JTQLQIEISA-N 1 1 292.339 1.461 10 5 CDBEMO CCOC(=O)[C@@]([NH3+])(COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000069194426 521172783 /nfs/dbraw/zinc/17/27/83/521172783.db2.gz UONLLLZVMAXQNX-CQSZACIVSA-N 1 1 294.307 1.644 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC23CCOCC3)c1 ZINC000368895731 527394730 /nfs/dbraw/zinc/39/47/30/527394730.db2.gz JZWHWRMZOYMFKF-CQSZACIVSA-N 1 1 292.335 1.883 10 5 CDBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000062727274 527398056 /nfs/dbraw/zinc/39/80/56/527398056.db2.gz RSLFLFCOMNVUGU-GFCCVEGCSA-N 1 1 250.298 1.594 10 5 CDBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CC[C@H](CO)C1 ZINC000062727299 527398615 /nfs/dbraw/zinc/39/86/15/527398615.db2.gz QOTVHQDIBPZEBC-NSHDSACASA-N 1 1 250.298 1.452 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000050817154 527504043 /nfs/dbraw/zinc/50/40/43/527504043.db2.gz AWHCDOKAZBIKOM-NSHDSACASA-N 1 1 251.286 1.134 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](O)C1 ZINC000050817154 527504051 /nfs/dbraw/zinc/50/40/51/527504051.db2.gz AWHCDOKAZBIKOM-NSHDSACASA-N 1 1 251.286 1.134 10 5 CDBEMO C[C@@H]1CCC[N@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000742427832 576602686 /nfs/dbraw/zinc/60/26/86/576602686.db2.gz QXLDJBXGKZMYLE-SNVBAGLBSA-N 1 1 250.302 1.308 10 5 CDBEMO Cc1cnc(N2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408239866 617643188 /nfs/dbraw/zinc/64/31/88/617643188.db2.gz FVJBFHSBEREISS-JTQLQIEISA-N 1 1 250.302 1.439 10 5 CDBEMO Cc1cnc(N2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000408239866 617643198 /nfs/dbraw/zinc/64/31/98/617643198.db2.gz FVJBFHSBEREISS-JTQLQIEISA-N 1 1 250.302 1.439 10 5 CDBEMO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928443745 619089935 /nfs/dbraw/zinc/08/99/35/619089935.db2.gz VLVPPBOHYYYOGA-BXKDBHETSA-N 1 1 295.314 1.865 10 5 CDBEMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000895800038 619850724 /nfs/dbraw/zinc/85/07/24/619850724.db2.gz YGWXYALDHBQVLC-HNNXBMFYSA-N 1 1 289.335 1.697 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000902926183 625642737 /nfs/dbraw/zinc/64/27/37/625642737.db2.gz AGSQDKXKEUGWON-KWQFWETISA-N 1 1 296.302 1.948 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000902927003 625643796 /nfs/dbraw/zinc/64/37/96/625643796.db2.gz YLVDXOWFACKCIG-BXKDBHETSA-N 1 1 278.312 1.809 10 5 CDBEMO Cc1c(C[N@H+]2CC[C@H](c3nn[nH]n3)C2)cccc1[N+](=O)[O-] ZINC001648159050 1169103046 /nfs/dbraw/zinc/10/30/46/1169103046.db2.gz VLBVPLUFBFJPLR-NSHDSACASA-N 1 1 288.311 1.406 10 5 CDBEMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1)C(C)C ZINC001585183606 1172881826 /nfs/dbraw/zinc/88/18/26/1172881826.db2.gz PWKXQKOQLNVDRA-UHFFFAOYSA-N 1 1 294.355 1.758 10 5 CDBEMO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001700130628 1176761902 /nfs/dbraw/zinc/76/19/02/1176761902.db2.gz KTQDXEQSIMJHNJ-VXGBXAGGSA-N 1 1 281.356 1.246 10 5 CDBEMO CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715730534 1179782490 /nfs/dbraw/zinc/78/24/90/1179782490.db2.gz GYNWCEOKUKLMGV-ZIAGYGMSSA-N 1 1 291.351 1.290 10 5 CDBEMO CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001732775377 1183120862 /nfs/dbraw/zinc/12/08/62/1183120862.db2.gz QYTGRUYYTLDKNG-VXGBXAGGSA-N 1 1 285.388 1.526 10 5 CDBEMO C[C@@H]1C[C@@H](N(C)C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1C ZINC000826056866 843819863 /nfs/dbraw/zinc/81/98/63/843819863.db2.gz BPDPNDYAFGMDQE-NEPJUHHUSA-N 1 1 285.388 1.763 10 5 CDBEMO C[C@@H](C[N+](=O)[O-])OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000814037206 845103184 /nfs/dbraw/zinc/10/31/84/845103184.db2.gz UIZGTOSFIJRSJB-CABZTGNLSA-N 1 1 276.308 1.407 10 5 CDBEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774631 845175038 /nfs/dbraw/zinc/17/50/38/845175038.db2.gz FPTQJPNSDLWSRH-MWLCHTKSSA-N 1 1 295.314 1.820 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC1(OC)OC ZINC000924956034 845449236 /nfs/dbraw/zinc/44/92/36/845449236.db2.gz WZROCBCOTBPKPI-CYBMUJFWSA-N 1 1 296.323 1.845 10 5 CDBEMO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931467838 845570511 /nfs/dbraw/zinc/57/05/11/845570511.db2.gz RXJWLGPEXYPECV-QMMMGPOBSA-N 1 1 276.300 1.171 10 5 CDBEMO C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC000931467838 845570518 /nfs/dbraw/zinc/57/05/18/845570518.db2.gz RXJWLGPEXYPECV-QMMMGPOBSA-N 1 1 276.300 1.171 10 5 CDBEMO CC[NH+](/C=C\c1nnnn1-c1ccc([N+](=O)[O-])cc1)CC ZINC000195761331 845892354 /nfs/dbraw/zinc/89/23/54/845892354.db2.gz LIJBHRQCXIEHBD-KTKRTIGZSA-N 1 1 288.311 1.883 10 5 CDBEMO COC(OC)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000079608771 846293781 /nfs/dbraw/zinc/29/37/81/846293781.db2.gz XMUULSNKIBGMRC-VIFPVBQESA-N 1 1 254.286 1.692 10 5 CDBEMO C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000817288702 846388223 /nfs/dbraw/zinc/38/82/23/846388223.db2.gz LGVAJYLQUNVVSU-LERXQTSPSA-N 1 1 280.324 1.473 10 5 CDBEMO C[C@H](NCC[N@@H+]1CC[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089756 846392582 /nfs/dbraw/zinc/39/25/82/846392582.db2.gz DLOGOQBJFJKHGT-QWRGUYRKSA-N 1 1 297.330 1.451 10 5 CDBEMO C[C@H](NCC[N@H+]1CC[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089756 846392584 /nfs/dbraw/zinc/39/25/84/846392584.db2.gz DLOGOQBJFJKHGT-QWRGUYRKSA-N 1 1 297.330 1.451 10 5 CDBEMO CC(C)(CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[N+](=O)[O-] ZINC000863031849 846568340 /nfs/dbraw/zinc/56/83/40/846568340.db2.gz KAONTRRRZLPZLL-ZDUSSCGKSA-N 1 1 297.399 1.955 10 5 CDBEMO CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000830719888 846695667 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CDBEMO COc1cccc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000577768701 356025317 /nfs/dbraw/zinc/02/53/17/356025317.db2.gz MCACEHRXYJIFDG-LLVKDONJSA-N 1 1 293.323 1.124 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000577768701 356025323 /nfs/dbraw/zinc/02/53/23/356025323.db2.gz MCACEHRXYJIFDG-LLVKDONJSA-N 1 1 293.323 1.124 10 5 CDBEMO CC[N@@H+]1CCO[C@@H](CNc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000135242605 357805417 /nfs/dbraw/zinc/80/54/17/357805417.db2.gz PAGADUJDGQYUCH-LBPRGKRZSA-N 1 1 295.339 1.736 10 5 CDBEMO CC[N@H+]1CCO[C@@H](CNc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000135242605 357805419 /nfs/dbraw/zinc/80/54/19/357805419.db2.gz PAGADUJDGQYUCH-LBPRGKRZSA-N 1 1 295.339 1.736 10 5 CDBEMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000361558014 358319784 /nfs/dbraw/zinc/31/97/84/358319784.db2.gz UOHCFHCXJDVVFQ-RISCZKNCSA-N 1 1 280.324 1.567 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000153956506 358868267 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C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000368571672 374317750 /nfs/dbraw/zinc/31/77/50/374317750.db2.gz FMXDCPYJRRGCAF-WDEREUQCSA-N 1 1 277.324 1.853 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000377848578 374622272 /nfs/dbraw/zinc/62/22/72/374622272.db2.gz YLZYAENJTQQDQV-NSHDSACASA-N 1 1 277.324 1.601 10 5 CDBEMO COc1cc(C[N@@H+](CC(N)=O)CC(C)C)ccc1[N+](=O)[O-] ZINC000351971805 375344650 /nfs/dbraw/zinc/34/46/50/375344650.db2.gz WZBLQISTKHSFRU-UHFFFAOYSA-N 1 1 295.339 1.547 10 5 CDBEMO COc1cc(C[N@H+](CC(N)=O)CC(C)C)ccc1[N+](=O)[O-] ZINC000351971805 375344678 /nfs/dbraw/zinc/34/46/78/375344678.db2.gz WZBLQISTKHSFRU-UHFFFAOYSA-N 1 1 295.339 1.547 10 5 CDBEMO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@H+]1CC(C)(C)O ZINC000443986368 250069332 /nfs/dbraw/zinc/06/93/32/250069332.db2.gz IHWDOXOTTSBJAH-NSHDSACASA-N 1 1 294.355 1.271 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449786291 251020951 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C[C@H](CC[NH+](C)C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000049557044 524161904 /nfs/dbraw/zinc/16/19/04/524161904.db2.gz CNFNLHKAXHQYLS-GFCCVEGCSA-N 1 1 281.356 1.903 10 5 CDBEMO Cc1cn2cc(Nc3ncc([N+](=O)[O-])c(N)n3)ccc2[nH+]1 ZINC000354090810 525953241 /nfs/dbraw/zinc/95/32/41/525953241.db2.gz FQMFSRNQYBJXOF-UHFFFAOYSA-N 1 1 285.267 1.497 10 5 CDBEMO Nc1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000050791777 527482282 /nfs/dbraw/zinc/48/22/82/527482282.db2.gz RTYIHPOGGYDEMR-NSHDSACASA-N 1 1 265.313 1.381 10 5 CDBEMO CC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000189683702 535541885 /nfs/dbraw/zinc/54/18/85/535541885.db2.gz WPOMADFNKZKPSL-MRVPVSSYSA-N 1 1 256.331 1.948 10 5 CDBEMO O=C1[C@H]([N@H+]2CC[C@H]3C[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000761087090 576545464 /nfs/dbraw/zinc/54/54/64/576545464.db2.gz CBVUUMKMQLPADF-ZLKJLUDKSA-N 1 1 287.319 1.794 10 5 CDBEMO CON(C)C(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000788010434 617700995 /nfs/dbraw/zinc/70/09/95/617700995.db2.gz 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CC[N@@H+](C)[C@@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC001640548809 1167035472 /nfs/dbraw/zinc/03/54/72/1167035472.db2.gz FMWZEKSHGPACPN-LLVKDONJSA-N 1 1 289.339 1.773 10 5 CDBEMO O=C(CN1CCn2cc[nH+]c21)Nc1ccccc1[N+](=O)[O-] ZINC001644204488 1167299575 /nfs/dbraw/zinc/29/95/75/1167299575.db2.gz BQBFRMHJJUVQRJ-UHFFFAOYSA-N 1 1 287.279 1.250 10 5 CDBEMO Cn1cc(C[N@@H+]2CC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])n1 ZINC001655716944 1171719718 /nfs/dbraw/zinc/71/97/18/1171719718.db2.gz STGREHZHCMFQJP-SNVBAGLBSA-N 1 1 288.311 1.108 10 5 CDBEMO Cn1cc(C[N@H+]2CC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])n1 ZINC001655716944 1171719724 /nfs/dbraw/zinc/71/97/24/1171719724.db2.gz STGREHZHCMFQJP-SNVBAGLBSA-N 1 1 288.311 1.108 10 5 CDBEMO CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001713948793 1178878512 /nfs/dbraw/zinc/87/85/12/1178878512.db2.gz ZHQNDCGIIXTBKV-KJVIQNAVSA-N 1 1 281.356 1.245 10 5 CDBEMO CCC(=O)NCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001731798247 1182588282 /nfs/dbraw/zinc/58/82/82/1182588282.db2.gz ANRWJPKQWUYZDV-UHFFFAOYSA-N 1 1 279.340 1.943 10 5 CDBEMO CN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001731911274 1182675544 /nfs/dbraw/zinc/67/55/44/1182675544.db2.gz JNERPCOVPDVWTK-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000094997041 705546118 /nfs/dbraw/zinc/54/61/18/705546118.db2.gz JXNZLRYLLNLUHE-SKDRFNHKSA-N 1 1 296.298 1.975 10 5 CDBEMO COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000094997041 705546123 /nfs/dbraw/zinc/54/61/23/705546123.db2.gz JXNZLRYLLNLUHE-SKDRFNHKSA-N 1 1 296.298 1.975 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC000709837330 705692820 /nfs/dbraw/zinc/69/28/20/705692820.db2.gz QFPRVCNRTBPNPV-GXTWGEPZSA-N 1 1 280.324 1.160 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931411044 705972545 /nfs/dbraw/zinc/97/25/45/705972545.db2.gz MKDMEAKURJCEQN-RISCZKNCSA-N 1 1 279.340 1.264 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000931411044 705972549 /nfs/dbraw/zinc/97/25/49/705972549.db2.gz MKDMEAKURJCEQN-RISCZKNCSA-N 1 1 279.340 1.264 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000720470250 709882367 /nfs/dbraw/zinc/88/23/67/709882367.db2.gz FNGCVLCYTANNNB-UWVGGRQHSA-N 1 1 297.384 1.320 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000719381434 709916239 /nfs/dbraw/zinc/91/62/39/709916239.db2.gz OXXKNSZWSZKBJO-KCJUWKMLSA-N 1 1 281.287 1.556 10 5 CDBEMO Cc1nn(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000779860939 710053889 /nfs/dbraw/zinc/05/38/89/710053889.db2.gz KXMVIGYTGKCFOU-GFCCVEGCSA-N 1 1 279.344 1.226 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)n1 ZINC000865998456 710235181 /nfs/dbraw/zinc/23/51/81/710235181.db2.gz INTVLHTWEBHEIB-NSHDSACASA-N 1 1 294.355 1.555 10 5 CDBEMO C[N@H+]1CC[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000712551603 710536230 /nfs/dbraw/zinc/53/62/30/710536230.db2.gz ZBMAJFUQVCTQDN-VIFPVBQESA-N 1 1 261.285 1.587 10 5 CDBEMO CC(C)(O)C[N@H+]1CC[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000865996525 710743007 /nfs/dbraw/zinc/74/30/07/710743007.db2.gz IZGQDFDOSAFALF-JTQLQIEISA-N 1 1 280.328 1.247 10 5 CDBEMO O=[N+]([O-])CC[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000931255610 711406757 /nfs/dbraw/zinc/40/67/57/711406757.db2.gz CWNXEJFDQVNKQS-UHFFFAOYSA-N 1 1 294.355 1.868 10 5 CDBEMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000866195492 711525785 /nfs/dbraw/zinc/52/57/85/711525785.db2.gz VYHCVHCGGSNPSS-ZDUSSCGKSA-N 1 1 285.307 1.983 10 5 CDBEMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000866195492 711525788 /nfs/dbraw/zinc/52/57/88/711525788.db2.gz VYHCVHCGGSNPSS-ZDUSSCGKSA-N 1 1 285.307 1.983 10 5 CDBEMO CC[NH+](CC)[C@H](C)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819059083 711663161 /nfs/dbraw/zinc/66/31/61/711663161.db2.gz BHPDNPRNSRHRHR-IUODEOHRSA-N 1 1 295.383 1.948 10 5 CDBEMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000784224411 711703856 /nfs/dbraw/zinc/70/38/56/711703856.db2.gz VOLUUIWYFIIUEF-WZRBSPASSA-N 1 1 278.308 1.429 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](CO)C1 ZINC000051887724 711830860 /nfs/dbraw/zinc/83/08/60/711830860.db2.gz UAKSGOBTPWMBQB-VIFPVBQESA-N 1 1 254.261 1.548 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000051887724 711830862 /nfs/dbraw/zinc/83/08/62/711830862.db2.gz UAKSGOBTPWMBQB-VIFPVBQESA-N 1 1 254.261 1.548 10 5 CDBEMO NC(=O)C1([NH2+]Cc2cccnc2[N+](=O)[O-])CCCCC1 ZINC001191801380 922768491 /nfs/dbraw/zinc/76/84/91/922768491.db2.gz NVHVWKCELWACGC-UHFFFAOYSA-N 1 1 278.312 1.268 10 5 CDBEMO Cn1cc(C[N@H+]2C[C@H]3CSC[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC001198466540 925431485 /nfs/dbraw/zinc/43/14/85/925431485.db2.gz ATPQZPHXZDPFFT-CMPLNLGQSA-N 1 1 282.369 1.513 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@]23CCOC3)n1 ZINC001198761231 925520085 /nfs/dbraw/zinc/52/00/85/925520085.db2.gz GCONLWFKNXFYBR-CYBMUJFWSA-N 1 1 280.328 1.436 10 5 CDBEMO CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001488826826 926711559 /nfs/dbraw/zinc/71/15/59/926711559.db2.gz VQRWYTLKQIZSFE-AAVRWANBSA-N 1 1 297.399 1.572 10 5 CDBEMO Cc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001492249165 955754889 /nfs/dbraw/zinc/75/48/89/955754889.db2.gz BJJDRVJCUWYZPT-ZIAGYGMSSA-N 1 1 291.351 1.208 10 5 CDBEMO Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001492249165 955754901 /nfs/dbraw/zinc/75/49/01/955754901.db2.gz BJJDRVJCUWYZPT-ZIAGYGMSSA-N 1 1 291.351 1.208 10 5 CDBEMO Cc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001492249165 955754912 /nfs/dbraw/zinc/75/49/12/955754912.db2.gz BJJDRVJCUWYZPT-ZIAGYGMSSA-N 1 1 291.351 1.208 10 5 CDBEMO Cc1cncc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001329297379 955805830 /nfs/dbraw/zinc/80/58/30/955805830.db2.gz GHQUZOIKVDYQHD-RYUDHWBXSA-N 1 1 276.340 1.829 10 5 CDBEMO Cc1c[nH]c(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[nH+]1 ZINC001322727398 960309155 /nfs/dbraw/zinc/30/91/55/960309155.db2.gz MCMLGSCPYFBIRB-UHFFFAOYSA-N 1 1 296.308 1.773 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3cnccn3)C2)c1 ZINC001560176798 960873208 /nfs/dbraw/zinc/87/32/08/960873208.db2.gz HGOVNGIAOPCQDP-NSHDSACASA-N 1 1 288.311 1.071 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)cs1 ZINC001560231507 960890145 /nfs/dbraw/zinc/89/01/45/960890145.db2.gz VEOGBOVUIDMPTF-WDEREUQCSA-N 1 1 286.353 1.079 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)cs1 ZINC001560231507 960890163 /nfs/dbraw/zinc/89/01/63/960890163.db2.gz VEOGBOVUIDMPTF-WDEREUQCSA-N 1 1 286.353 1.079 10 5 CDBEMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)CCO1 ZINC001655119866 1171669628 /nfs/dbraw/zinc/66/96/28/1171669628.db2.gz FDKNEQVRBBOGEU-GHMZBOCLSA-N 1 1 268.317 1.291 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1NCC[N@@H+]1CC=CCC1 ZINC000401183834 342482023 /nfs/dbraw/zinc/48/20/23/342482023.db2.gz KMHNFVGPGKOXLZ-UHFFFAOYSA-N 1 1 266.276 1.803 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC[C@H](C)O)c1 ZINC000589502475 342507714 /nfs/dbraw/zinc/50/77/14/342507714.db2.gz VZHLBWFFDRDMFD-JTQLQIEISA-N 1 1 296.323 1.584 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CC[C@H](C)O)c1 ZINC000589502475 342507715 /nfs/dbraw/zinc/50/77/15/342507715.db2.gz VZHLBWFFDRDMFD-JTQLQIEISA-N 1 1 296.323 1.584 10 5 CDBEMO COCCC[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496858 342507973 /nfs/dbraw/zinc/50/79/73/342507973.db2.gz RUNGZAWLZVBWGZ-UHFFFAOYSA-N 1 1 296.323 1.850 10 5 CDBEMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000590345129 342537380 /nfs/dbraw/zinc/53/73/80/342537380.db2.gz SDRFGRHJGBCYBP-LLVKDONJSA-N 1 1 292.339 1.546 10 5 CDBEMO C[C@@H]1[C@@H](O)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000590759048 342588604 /nfs/dbraw/zinc/58/86/04/342588604.db2.gz IRNRRPYMYWXCIE-PWSUYJOCSA-N 1 1 266.297 1.429 10 5 CDBEMO CC1(C)C[NH2+]CC[C@@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000593727510 342829851 /nfs/dbraw/zinc/82/98/51/342829851.db2.gz ODHPRVRBGXUKKK-ZDUSSCGKSA-N 1 1 279.340 1.778 10 5 CDBEMO COC[C@@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000595485091 343065959 /nfs/dbraw/zinc/06/59/59/343065959.db2.gz RIRQEGXCDCHCLK-CYBMUJFWSA-N 1 1 282.340 1.731 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000595609612 343108431 /nfs/dbraw/zinc/10/84/31/343108431.db2.gz ZLDVSLHSVMFDED-CYBMUJFWSA-N 1 1 287.323 1.708 10 5 CDBEMO CCC[N@H+](C)CC(C)(C)NCCn1cc([N+](=O)[O-])cn1 ZINC000595873144 343177866 /nfs/dbraw/zinc/17/78/66/343177866.db2.gz LTJSXFZVNDUNAN-UHFFFAOYSA-N 1 1 283.376 1.501 10 5 CDBEMO CCC[N@@H+](C)CC(C)(C)NCCn1cc([N+](=O)[O-])cn1 ZINC000595873144 343177868 /nfs/dbraw/zinc/17/78/68/343177868.db2.gz LTJSXFZVNDUNAN-UHFFFAOYSA-N 1 1 283.376 1.501 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[N@@H+](C)C1 ZINC000597945022 343675301 /nfs/dbraw/zinc/67/53/01/343675301.db2.gz GNQRCEKSCYTFBB-VIFPVBQESA-N 1 1 283.353 1.823 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@@H+](C)C1 ZINC000597945067 343675425 /nfs/dbraw/zinc/67/54/25/343675425.db2.gz HMMFJFBOCHTOLS-SNVBAGLBSA-N 1 1 280.328 1.100 10 5 CDBEMO Cc1cc(NC2CC([NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000599095406 343953657 /nfs/dbraw/zinc/95/36/57/343953657.db2.gz SZLIPPUJJQIESZ-UHFFFAOYSA-N 1 1 292.339 1.573 10 5 CDBEMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCCC2)nc1 ZINC000599126997 343964034 /nfs/dbraw/zinc/96/40/34/343964034.db2.gz LDVRDDORNSHLOD-GFCCVEGCSA-N 1 1 291.355 1.626 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)ccc1[N+](=O)[O-] ZINC000599681935 344118494 /nfs/dbraw/zinc/11/84/94/344118494.db2.gz FFENMZUYYORTRR-NJZAAPMLSA-N 1 1 292.335 1.949 10 5 CDBEMO C[C@]12CCCC[C@H]1C[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599674865 344115743 /nfs/dbraw/zinc/11/57/43/344115743.db2.gz JPXYLIMSXRNYDB-UBHSHLNASA-N 1 1 294.355 1.417 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680446 344117911 /nfs/dbraw/zinc/11/79/11/344117911.db2.gz CFKGRJOKQANXMP-PSOPSSQASA-N 1 1 292.335 1.949 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000604199659 344865472 /nfs/dbraw/zinc/86/54/72/344865472.db2.gz SNLBSUVRVPOFOQ-SECBINFHSA-N 1 1 281.287 1.558 10 5 CDBEMO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001658667097 1172054539 /nfs/dbraw/zinc/05/45/39/1172054539.db2.gz VGGACSONAYHNMF-UFBFGSQYSA-N 1 1 254.261 1.689 10 5 CDBEMO C[C@H]1[C@@H](O)CC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001658667097 1172054545 /nfs/dbraw/zinc/05/45/45/1172054545.db2.gz VGGACSONAYHNMF-UFBFGSQYSA-N 1 1 254.261 1.689 10 5 CDBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000107893532 186196424 /nfs/dbraw/zinc/19/64/24/186196424.db2.gz VNORIGDNEVHFSE-JTQLQIEISA-N 1 1 295.314 1.806 10 5 CDBEMO Nc1c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000157334165 188311033 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WOJWNHSQPBRAQW-ZETCQYMHSA-N 1 1 256.283 1.187 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCOc1cccc(C)c1[N+](=O)[O-] ZINC000062540806 523601466 /nfs/dbraw/zinc/60/14/66/523601466.db2.gz HFFZAPXCQOOBKF-VIFPVBQESA-N 1 1 268.269 1.172 10 5 CDBEMO COCC[N@@H+](C)CCNc1cccc([N+](=O)[O-])c1C ZINC000062724277 523614925 /nfs/dbraw/zinc/61/49/25/523614925.db2.gz JPMIQFAZQHPOEK-UHFFFAOYSA-N 1 1 267.329 1.893 10 5 CDBEMO C[N@H+]1CCC[C@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455213 523845690 /nfs/dbraw/zinc/84/56/90/523845690.db2.gz SEHDYOCLGYJXPN-ZETCQYMHSA-N 1 1 271.708 1.544 10 5 CDBEMO COC(=O)[C@](C)([NH3+])C[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000068650937 524002888 /nfs/dbraw/zinc/00/28/88/524002888.db2.gz SMKIUJQZOUYZME-TVQRCGJNSA-N 1 1 282.296 1.643 10 5 CDBEMO CN(C)C(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000840957089 617807433 /nfs/dbraw/zinc/80/74/33/617807433.db2.gz IYFBVGJJVHNBAV-UHFFFAOYSA-N 1 1 297.742 1.959 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC001608184949 1164441173 /nfs/dbraw/zinc/44/11/73/1164441173.db2.gz XKLUASZUUJOCGK-SNVBAGLBSA-N 1 1 280.328 1.100 10 5 CDBEMO O=C(CC[N@H+]1CC[C@@H](F)C1)NCc1cccc([N+](=O)[O-])c1 ZINC001617673516 1165604777 /nfs/dbraw/zinc/60/47/77/1165604777.db2.gz OHUSBUJMICTPKE-GFCCVEGCSA-N 1 1 295.314 1.645 10 5 CDBEMO C[C@H]([C@H](C)O)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001617860020 1165610761 /nfs/dbraw/zinc/61/07/61/1165610761.db2.gz KQBUAHQHMIVBCU-MNOVXSKESA-N 1 1 252.314 1.838 10 5 CDBEMO C[C@@H](O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001617860018 1165610901 /nfs/dbraw/zinc/61/09/01/1165610901.db2.gz KQBUAHQHMIVBCU-GHMZBOCLSA-N 1 1 252.314 1.838 10 5 CDBEMO COc1ccc(C[C@@H]2CC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC001641992650 1167150657 /nfs/dbraw/zinc/15/06/57/1167150657.db2.gz SZNXZSIDOKPGGC-LBPRGKRZSA-N 1 1 250.298 1.589 10 5 CDBEMO COc1ccc(C[C@@H]2CC[N@H+]2CC[N+](=O)[O-])cc1 ZINC001641992650 1167150663 /nfs/dbraw/zinc/15/06/63/1167150663.db2.gz SZNXZSIDOKPGGC-LBPRGKRZSA-N 1 1 250.298 1.589 10 5 CDBEMO O=C1OC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]12 ZINC001647942740 1169083388 /nfs/dbraw/zinc/08/33/88/1169083388.db2.gz PEQIRKNGEAJEOT-ONGXEEELSA-N 1 1 280.255 1.339 10 5 CDBEMO O=C1OC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]12 ZINC001647942740 1169083397 /nfs/dbraw/zinc/08/33/97/1169083397.db2.gz PEQIRKNGEAJEOT-ONGXEEELSA-N 1 1 280.255 1.339 10 5 CDBEMO CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001675740048 1174143985 /nfs/dbraw/zinc/14/39/85/1174143985.db2.gz WNPJMGYXSDSZCN-FDYHWXHSSA-N 1 1 283.372 1.326 10 5 CDBEMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000230236256 1178146671 /nfs/dbraw/zinc/14/66/71/1178146671.db2.gz WKTZMUFNMHXXEI-ZANVPECISA-N 1 1 268.288 1.937 10 5 CDBEMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000230236256 1178146676 /nfs/dbraw/zinc/14/66/76/1178146676.db2.gz WKTZMUFNMHXXEI-ZANVPECISA-N 1 1 268.288 1.937 10 5 CDBEMO CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716217523 1180106982 /nfs/dbraw/zinc/10/69/82/1180106982.db2.gz VZVZWBCZRYDYAG-VXGBXAGGSA-N 1 1 269.345 1.056 10 5 CDBEMO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000401529363 1186422793 /nfs/dbraw/zinc/42/27/93/1186422793.db2.gz HHYIJDWPCTVXPE-GXSJLCMTSA-N 1 1 268.288 1.937 10 5 CDBEMO C[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000401529363 1186422794 /nfs/dbraw/zinc/42/27/94/1186422794.db2.gz HHYIJDWPCTVXPE-GXSJLCMTSA-N 1 1 268.288 1.937 10 5 CDBEMO C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063628 711906908 /nfs/dbraw/zinc/90/69/08/711906908.db2.gz YZHQUYXVWGXSFV-IINYFYTJSA-N 1 1 297.330 1.451 10 5 CDBEMO COc1cccc([C@]2(C)CC[N@@H+](CC[N+](=O)[O-])C2)c1 ZINC000931018368 712063558 /nfs/dbraw/zinc/06/35/58/712063558.db2.gz CEQWQYUJFDDEPK-CQSZACIVSA-N 1 1 264.325 1.935 10 5 CDBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929163798 712409660 /nfs/dbraw/zinc/40/96/60/712409660.db2.gz DCGNAPJBLHHOKS-KCQAQPDRSA-N 1 1 292.335 1.831 10 5 CDBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929163798 712409661 /nfs/dbraw/zinc/40/96/61/712409661.db2.gz DCGNAPJBLHHOKS-KCQAQPDRSA-N 1 1 292.335 1.831 10 5 CDBEMO O=c1[nH]ccc(N[C@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865928080 1164710087 /nfs/dbraw/zinc/71/00/87/1164710087.db2.gz PTDXLQDYYGTZIC-VIFPVBQESA-N 1 1 284.291 1.541 10 5 CDBEMO O=c1[nH]ccc(N[C@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865928080 1164710089 /nfs/dbraw/zinc/71/00/89/1164710089.db2.gz PTDXLQDYYGTZIC-VIFPVBQESA-N 1 1 284.291 1.541 10 5 CDBEMO Cc1cnc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206894 1164749418 /nfs/dbraw/zinc/74/94/18/1164749418.db2.gz UNMZOVPBDQBZLZ-NEPJUHHUSA-N 1 1 276.340 1.829 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000866207815 1164751258 /nfs/dbraw/zinc/75/12/58/1164751258.db2.gz QXBANLOWZIOGKY-GHMZBOCLSA-N 1 1 262.313 1.520 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC[C@@H]21 ZINC001635860539 1166629482 /nfs/dbraw/zinc/62/94/82/1166629482.db2.gz MBTNXPAWXAPICX-CABZTGNLSA-N 1 1 278.312 1.089 10 5 CDBEMO CN(CCC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001483464396 911153554 /nfs/dbraw/zinc/15/35/54/911153554.db2.gz KQYYPJUTDLHUEH-CHWSQXEVSA-N 1 1 297.399 1.526 10 5 CDBEMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001192389618 923053909 /nfs/dbraw/zinc/05/39/09/923053909.db2.gz HNUXZFMIDJWQFH-MNOVXSKESA-N 1 1 299.277 1.344 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCNCC[NH2+]CC1 ZINC000923460036 923848412 /nfs/dbraw/zinc/84/84/12/923848412.db2.gz OODRKWMYMIKRPA-CYBMUJFWSA-N 1 1 292.383 1.459 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@H+](C)C(C)C)n1 ZINC001141542749 936896913 /nfs/dbraw/zinc/89/69/13/936896913.db2.gz XFRCRYHAVKGPKL-UHFFFAOYSA-N 1 1 294.355 1.758 10 5 CDBEMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@]12CCC[C@H]1OCC2 ZINC001198790778 925515311 /nfs/dbraw/zinc/51/53/11/925515311.db2.gz OLJQLOZPZWIZJA-TZMCWYRMSA-N 1 1 294.355 1.682 10 5 CDBEMO COC(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000851869686 927648950 /nfs/dbraw/zinc/64/89/50/927648950.db2.gz OLDNLDDNEWIMCA-UHFFFAOYSA-N 1 1 280.324 1.962 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000852667248 927839118 /nfs/dbraw/zinc/83/91/18/927839118.db2.gz ZBLIOAYPAOIUHQ-KCQAQPDRSA-N 1 1 292.335 1.597 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782621685 937257116 /nfs/dbraw/zinc/25/71/16/937257116.db2.gz NQZGZIYBISBAJC-MFKMUULPSA-N 1 1 266.272 1.548 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782621685 937257119 /nfs/dbraw/zinc/25/71/19/937257119.db2.gz NQZGZIYBISBAJC-MFKMUULPSA-N 1 1 266.272 1.548 10 5 CDBEMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1CCO ZINC000801546412 935997100 /nfs/dbraw/zinc/99/71/00/935997100.db2.gz LEDHQCHFFCYPDY-NSHDSACASA-N 1 1 297.330 1.232 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC[N@H+]3CCC[C@H]3C2)cn1 ZINC001324437991 953387256 /nfs/dbraw/zinc/38/72/56/953387256.db2.gz HBMPSVPGUOLGGB-LBPRGKRZSA-N 1 1 262.313 1.664 10 5 CDBEMO CC[N@@H+]1CC[C@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001291742222 954110285 /nfs/dbraw/zinc/11/02/85/954110285.db2.gz JIUINCLFAGCUNM-GWCFXTLKSA-N 1 1 277.324 1.866 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001291742222 954110293 /nfs/dbraw/zinc/11/02/93/954110293.db2.gz JIUINCLFAGCUNM-GWCFXTLKSA-N 1 1 277.324 1.866 10 5 CDBEMO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001560143628 960865714 /nfs/dbraw/zinc/86/57/14/960865714.db2.gz GXMIXDMAAFBGHF-JTQLQIEISA-N 1 1 287.323 1.907 10 5 CDBEMO C[C@H]1Cc2n[nH]cc2C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001560143628 960865725 /nfs/dbraw/zinc/86/57/25/960865725.db2.gz GXMIXDMAAFBGHF-JTQLQIEISA-N 1 1 287.323 1.907 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c[nH+]cc1C ZINC001349942763 966538595 /nfs/dbraw/zinc/53/85/95/966538595.db2.gz SBVSAKXZDYKKAV-UHFFFAOYSA-N 1 1 290.279 1.747 10 5 CDBEMO C[N@H+]1CCN(c2ccncc2[N+](=O)[O-])CC1(C)C ZINC000601186788 342489469 /nfs/dbraw/zinc/48/94/69/342489469.db2.gz AUFUKCZAZHRBSZ-UHFFFAOYSA-N 1 1 250.302 1.520 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CCO)C2CC2)c1 ZINC000589494989 342507883 /nfs/dbraw/zinc/50/78/83/342507883.db2.gz KGYNEJCDXIOFEJ-UHFFFAOYSA-N 1 1 294.307 1.338 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](CCO)C2CC2)c1 ZINC000589494989 342507884 /nfs/dbraw/zinc/50/78/84/342507884.db2.gz KGYNEJCDXIOFEJ-UHFFFAOYSA-N 1 1 294.307 1.338 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590442708 342546269 /nfs/dbraw/zinc/54/62/69/342546269.db2.gz AGLOGPFRYBZKFW-WCQYABFASA-N 1 1 289.335 1.679 10 5 CDBEMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000590696052 342583650 /nfs/dbraw/zinc/58/36/50/342583650.db2.gz NQQYZBRUBPQDRC-UWVGGRQHSA-N 1 1 289.339 2.000 10 5 CDBEMO CO[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000401700693 342613276 /nfs/dbraw/zinc/61/32/76/342613276.db2.gz OJSJSIILUZLXEZ-AWEZNQCLSA-N 1 1 298.314 1.707 10 5 CDBEMO CO[C@@]1(CO)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000401700693 342613277 /nfs/dbraw/zinc/61/32/77/342613277.db2.gz OJSJSIILUZLXEZ-AWEZNQCLSA-N 1 1 298.314 1.707 10 5 CDBEMO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000593060785 342761091 /nfs/dbraw/zinc/76/10/91/342761091.db2.gz IJACSNIGOFPSGX-NWDGAFQWSA-N 1 1 296.323 1.185 10 5 CDBEMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000593060785 342761092 /nfs/dbraw/zinc/76/10/92/342761092.db2.gz IJACSNIGOFPSGX-NWDGAFQWSA-N 1 1 296.323 1.185 10 5 CDBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000593725572 342829328 /nfs/dbraw/zinc/82/93/28/342829328.db2.gz QHLNAIFKPZEUOT-JTQLQIEISA-N 1 1 251.286 1.094 10 5 CDBEMO Cc1noc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1[N+](=O)[O-] ZINC000595303649 343030447 /nfs/dbraw/zinc/03/04/47/343030447.db2.gz BDJASTCQPPBCGN-SECBINFHSA-N 1 1 282.300 1.121 10 5 CDBEMO Cc1noc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c1[N+](=O)[O-] ZINC000595303649 343030448 /nfs/dbraw/zinc/03/04/48/343030448.db2.gz BDJASTCQPPBCGN-SECBINFHSA-N 1 1 282.300 1.121 10 5 CDBEMO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595466293 343071499 /nfs/dbraw/zinc/07/14/99/343071499.db2.gz KAVGGZJQFBLIRD-MFKMUULPSA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595466293 343071500 /nfs/dbraw/zinc/07/15/00/343071500.db2.gz KAVGGZJQFBLIRD-MFKMUULPSA-N 1 1 298.314 1.706 10 5 CDBEMO Cc1noc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)c1[N+](=O)[O-] ZINC000595530807 343090136 /nfs/dbraw/zinc/09/01/36/343090136.db2.gz UQPPBORWOHJLIQ-NSHDSACASA-N 1 1 281.312 1.771 10 5 CDBEMO Cc1noc(C[N@H+]2CCCC[C@H]2C2(O)CC2)c1[N+](=O)[O-] ZINC000595530807 343090137 /nfs/dbraw/zinc/09/01/37/343090137.db2.gz UQPPBORWOHJLIQ-NSHDSACASA-N 1 1 281.312 1.771 10 5 CDBEMO Cc1noc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595732357 343133976 /nfs/dbraw/zinc/13/39/76/343133976.db2.gz NIAICYWIAKZUPU-YUMQZZPRSA-N 1 1 269.301 1.340 10 5 CDBEMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC2(COC2)C1 ZINC000595835077 343170347 /nfs/dbraw/zinc/17/03/47/343170347.db2.gz RKQSTSMABCBBQM-UHFFFAOYSA-N 1 1 266.272 1.956 10 5 CDBEMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC2(COC2)C1 ZINC000595835077 343170349 /nfs/dbraw/zinc/17/03/49/343170349.db2.gz RKQSTSMABCBBQM-UHFFFAOYSA-N 1 1 266.272 1.956 10 5 CDBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC3(COC3)C2)cc1 ZINC000595836546 343171821 /nfs/dbraw/zinc/17/18/21/343171821.db2.gz ZONGAPJXPQNPAU-UHFFFAOYSA-N 1 1 278.308 1.696 10 5 CDBEMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000091482708 342404528 /nfs/dbraw/zinc/40/45/28/342404528.db2.gz ZWMVSQRKGRMRLF-SNVBAGLBSA-N 1 1 292.339 1.447 10 5 CDBEMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000120567908 362571151 /nfs/dbraw/zinc/57/11/51/362571151.db2.gz JVPGQGWWQMVCFR-LBPRGKRZSA-N 1 1 277.324 1.825 10 5 CDBEMO Cc1cccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000405226499 345415485 /nfs/dbraw/zinc/41/54/85/345415485.db2.gz OWEVIHZPFXJBBO-NWDGAFQWSA-N 1 1 277.324 1.158 10 5 CDBEMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000610572861 346315507 /nfs/dbraw/zinc/31/55/07/346315507.db2.gz NAMFEIINXHQNRP-SNVBAGLBSA-N 1 1 256.327 1.859 10 5 CDBEMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000610572861 346315508 /nfs/dbraw/zinc/31/55/08/346315508.db2.gz NAMFEIINXHQNRP-SNVBAGLBSA-N 1 1 256.327 1.859 10 5 CDBEMO COC[C@@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000612402229 347147564 /nfs/dbraw/zinc/14/75/64/347147564.db2.gz ZOTMHGIFTFOMLT-GFCCVEGCSA-N 1 1 288.731 1.735 10 5 CDBEMO CNC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092097134 180323500 /nfs/dbraw/zinc/32/35/00/180323500.db2.gz HCOOOPFVCIQZGD-GBXSZLQWSA-N 1 1 289.335 1.818 10 5 CDBEMO CNC(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000092097134 180323502 /nfs/dbraw/zinc/32/35/02/180323502.db2.gz HCOOOPFVCIQZGD-GBXSZLQWSA-N 1 1 289.335 1.818 10 5 CDBEMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC[N@H+]1C ZINC000124269902 187129331 /nfs/dbraw/zinc/12/93/31/187129331.db2.gz ZUFJAFIEBVSZNK-UWVGGRQHSA-N 1 1 281.312 1.743 10 5 CDBEMO COC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000065562240 363317866 /nfs/dbraw/zinc/31/78/66/363317866.db2.gz CRTZLULVRDUXME-LLVKDONJSA-N 1 1 297.330 1.891 10 5 CDBEMO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000384893406 366216568 /nfs/dbraw/zinc/21/65/68/366216568.db2.gz LLPQLJFKSDZINR-GXFFZTMASA-N 1 1 250.298 1.940 10 5 CDBEMO CC[N@@H+]1CCO[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000134430577 356303374 /nfs/dbraw/zinc/30/33/74/356303374.db2.gz DIORVCNLRJNYGW-SNVBAGLBSA-N 1 1 266.301 1.122 10 5 CDBEMO CC[N@H+]1CCO[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000134430577 356303378 /nfs/dbraw/zinc/30/33/78/356303378.db2.gz DIORVCNLRJNYGW-SNVBAGLBSA-N 1 1 266.301 1.122 10 5 CDBEMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000186778939 357688047 /nfs/dbraw/zinc/68/80/47/357688047.db2.gz MQRDBZVPQZJJDG-UHFFFAOYSA-N 1 1 280.324 1.678 10 5 CDBEMO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000408112749 358157515 /nfs/dbraw/zinc/15/75/15/358157515.db2.gz NGYYAXQVIPHWJN-NSHDSACASA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000408112749 358157520 /nfs/dbraw/zinc/15/75/20/358157520.db2.gz NGYYAXQVIPHWJN-NSHDSACASA-N 1 1 277.324 1.679 10 5 CDBEMO C[N@H+]1CC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000094771721 367012613 /nfs/dbraw/zinc/01/26/13/367012613.db2.gz OIWIKZZIFAWKSP-VIFPVBQESA-N 1 1 275.312 1.835 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](C)C1 ZINC000330895395 203364019 /nfs/dbraw/zinc/36/40/19/203364019.db2.gz GDXZEYYJOGGTMT-ZWNOBZJWSA-N 1 1 294.355 1.725 10 5 CDBEMO COCC[N@H+]1CCC[C@@H]1CNc1nccc(C)c1[N+](=O)[O-] ZINC000301246714 369917797 /nfs/dbraw/zinc/91/77/97/369917797.db2.gz AXUPEHDRQRALSL-GFCCVEGCSA-N 1 1 294.355 1.821 10 5 CDBEMO C[C@@H](CO)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298672666 373765301 /nfs/dbraw/zinc/76/53/01/373765301.db2.gz YNHOSZZMHQXLEC-JTQLQIEISA-N 1 1 281.312 1.236 10 5 CDBEMO COc1cc(C[N@H+]2CCC[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000352771016 375537151 /nfs/dbraw/zinc/53/71/51/375537151.db2.gz VOEKULFQQOGFSF-CQSZACIVSA-N 1 1 280.324 1.950 10 5 CDBEMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000193724504 375896347 /nfs/dbraw/zinc/89/63/47/375896347.db2.gz ILHXNAGEBUKYAG-ZDUSSCGKSA-N 1 1 290.323 1.907 10 5 CDBEMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H](O)[C@H]1[N+](=O)[O-] ZINC000245204510 377919611 /nfs/dbraw/zinc/91/96/11/377919611.db2.gz CMLHFOVDJBOQMH-BNOWGMLFSA-N 1 1 264.325 1.535 10 5 CDBEMO Cc1c(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cccc1[N+](=O)[O-] ZINC000278781629 194152966 /nfs/dbraw/zinc/15/29/66/194152966.db2.gz DHCTZWNPEUXMON-OAHLLOKOSA-N 1 1 289.335 1.615 10 5 CDBEMO C[N@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281744453 195361337 /nfs/dbraw/zinc/36/13/37/195361337.db2.gz KELZDVWQFWCPOS-UHFFFAOYSA-N 1 1 269.257 1.317 10 5 CDBEMO C[N@@H+](CCCO)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281744453 195361339 /nfs/dbraw/zinc/36/13/39/195361339.db2.gz KELZDVWQFWCPOS-UHFFFAOYSA-N 1 1 269.257 1.317 10 5 CDBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408246201 391019508 /nfs/dbraw/zinc/01/95/08/391019508.db2.gz KNGXRWOALDTRNB-MNOVXSKESA-N 1 1 292.339 1.622 10 5 CDBEMO Cc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000266841529 391585925 /nfs/dbraw/zinc/58/59/25/391585925.db2.gz MRJNZGIULPESGF-NWDGAFQWSA-N 1 1 276.340 1.971 10 5 CDBEMO C[N@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000408465496 391649831 /nfs/dbraw/zinc/64/98/31/391649831.db2.gz HDTHNMYBHUKRHM-NWDGAFQWSA-N 1 1 296.302 1.038 10 5 CDBEMO COc1ccc(C[N@@H+](C)CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000190038229 130053171 /nfs/dbraw/zinc/05/31/71/130053171.db2.gz LXDDRDCXGVKVNG-UHFFFAOYSA-N 1 1 280.324 1.808 10 5 CDBEMO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420974265 392923954 /nfs/dbraw/zinc/92/39/54/392923954.db2.gz MOEBIRZRPURUIC-JTQLQIEISA-N 1 1 297.742 1.816 10 5 CDBEMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420974265 392923958 /nfs/dbraw/zinc/92/39/58/392923958.db2.gz MOEBIRZRPURUIC-JTQLQIEISA-N 1 1 297.742 1.816 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000426154762 393038286 /nfs/dbraw/zinc/03/82/86/393038286.db2.gz WWWNENJRQZYMRJ-GWCFXTLKSA-N 1 1 280.324 1.806 10 5 CDBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286008782 393039728 /nfs/dbraw/zinc/03/97/28/393039728.db2.gz HZARCFASCHABQY-ZJUUUORDSA-N 1 1 293.327 1.017 10 5 CDBEMO COC[C@]1(CO)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000449693390 393139969 /nfs/dbraw/zinc/13/99/69/393139969.db2.gz DCFHQELGLGYUST-OAHLLOKOSA-N 1 1 294.351 1.734 10 5 CDBEMO Cc1ccc(N2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302398791 393199835 /nfs/dbraw/zinc/19/98/35/393199835.db2.gz JNBGMCNLPJKKAJ-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO Cc1ccc(N2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000302398791 393199836 /nfs/dbraw/zinc/19/98/36/393199836.db2.gz JNBGMCNLPJKKAJ-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000247192887 140288407 /nfs/dbraw/zinc/28/84/07/140288407.db2.gz LHZMRQGLGWHBGW-UWVGGRQHSA-N 1 1 295.364 1.965 10 5 CDBEMO CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000334048906 149308857 /nfs/dbraw/zinc/30/88/57/149308857.db2.gz ZBBXKKCOPLLOIM-QWRGUYRKSA-N 1 1 292.339 1.659 10 5 CDBEMO CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000334048906 149308861 /nfs/dbraw/zinc/30/88/61/149308861.db2.gz ZBBXKKCOPLLOIM-QWRGUYRKSA-N 1 1 292.339 1.659 10 5 CDBEMO CO[C@H]1C[C@@H](CN(C)c2nc(C)ccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000284465737 196062447 /nfs/dbraw/zinc/06/24/47/196062447.db2.gz FJBGHWPCIBIUBW-RYUDHWBXSA-N 1 1 294.355 1.454 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000302790025 276077367 /nfs/dbraw/zinc/07/73/67/276077367.db2.gz YAOXCZCCVFHKBQ-LLVKDONJSA-N 1 1 264.329 1.829 10 5 CDBEMO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000081901520 278363539 /nfs/dbraw/zinc/36/35/39/278363539.db2.gz SZYBBKDZZHNWLD-VHSXEESVSA-N 1 1 286.353 1.679 10 5 CDBEMO Cc1cnc(N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000284618429 302351780 /nfs/dbraw/zinc/35/17/80/302351780.db2.gz SSHKVDGPUIBDDU-CHWSQXEVSA-N 1 1 292.339 1.208 10 5 CDBEMO COC(=O)CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000578776122 324023581 /nfs/dbraw/zinc/02/35/81/324023581.db2.gz WDGRMXXZFOGLQK-UHFFFAOYSA-N 1 1 270.310 1.842 10 5 CDBEMO CCC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713546455 1178638197 /nfs/dbraw/zinc/63/81/97/1178638197.db2.gz MHYWRQMGKMOQKG-CHWSQXEVSA-N 1 1 283.372 1.446 10 5 CDBEMO CCC[N@H+](CC=C(C)C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713546455 1178638199 /nfs/dbraw/zinc/63/81/99/1178638199.db2.gz MHYWRQMGKMOQKG-CHWSQXEVSA-N 1 1 283.372 1.446 10 5 CDBEMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050704268 521717139 /nfs/dbraw/zinc/71/71/39/521717139.db2.gz GLIPLUGPFXFAIB-SNVBAGLBSA-N 1 1 292.339 1.249 10 5 CDBEMO COC(=O)[C@@H]([NH3+])CCOc1cc([N+](=O)[O-])ccc1Cl ZINC000069508194 523599285 /nfs/dbraw/zinc/59/92/85/523599285.db2.gz LPEINNFYPIQUSS-VIFPVBQESA-N 1 1 288.687 1.517 10 5 CDBEMO O=[N+]([O-])c1cccc(NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000049630944 527390610 /nfs/dbraw/zinc/39/06/10/527390610.db2.gz MXVWDPKOAVWJQQ-NSHDSACASA-N 1 1 299.352 1.479 10 5 CDBEMO Cc1nn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000756883098 577012661 /nfs/dbraw/zinc/01/26/61/577012661.db2.gz UJLLKSAZTXENAW-QWHCGFSZSA-N 1 1 294.355 1.867 10 5 CDBEMO Cc1nn(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000756883098 577012662 /nfs/dbraw/zinc/01/26/62/577012662.db2.gz UJLLKSAZTXENAW-QWHCGFSZSA-N 1 1 294.355 1.867 10 5 CDBEMO O=[N+]([O-])CC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000931378741 617771910 /nfs/dbraw/zinc/77/19/10/617771910.db2.gz DGUBCYLPCHLZSE-NSHDSACASA-N 1 1 276.695 1.769 10 5 CDBEMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C ZINC000895770964 619836999 /nfs/dbraw/zinc/83/69/99/619836999.db2.gz SYNAYEKPEHFPMK-LLVKDONJSA-N 1 1 263.297 1.913 10 5 CDBEMO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C ZINC000895770964 619837002 /nfs/dbraw/zinc/83/70/02/619837002.db2.gz SYNAYEKPEHFPMK-LLVKDONJSA-N 1 1 263.297 1.913 10 5 CDBEMO Cn1ncc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000808417984 1162852296 /nfs/dbraw/zinc/85/22/96/1162852296.db2.gz YLWBBMNBWPOULH-XQRVVYSFSA-N 1 1 273.296 1.526 10 5 CDBEMO CC1([NH2+]CCC2CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001570372797 1170145652 /nfs/dbraw/zinc/14/56/52/1170145652.db2.gz CQNDPAMEGIVQEN-CHWSQXEVSA-N 1 1 295.383 1.422 10 5 CDBEMO CCC[N@H+](CC=C(C)C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713546455 1178638195 /nfs/dbraw/zinc/63/81/95/1178638195.db2.gz MHYWRQMGKMOQKG-CHWSQXEVSA-N 1 1 283.372 1.446 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207819 1164752904 /nfs/dbraw/zinc/75/29/04/1164752904.db2.gz QXBANLOWZIOGKY-QWRGUYRKSA-N 1 1 262.313 1.520 10 5 CDBEMO CCCC(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001268495069 902381383 /nfs/dbraw/zinc/38/13/83/902381383.db2.gz GUKUXVDYDFEWTM-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO Cc1ccc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000842047464 908892579 /nfs/dbraw/zinc/89/25/79/908892579.db2.gz OHRUNVPSAGQHIJ-STQMWFEESA-N 1 1 293.367 1.795 10 5 CDBEMO CC[N@H+]1CC[C@@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000712613263 909568758 /nfs/dbraw/zinc/56/87/58/909568758.db2.gz GJCDREFKSILCCL-SNVBAGLBSA-N 1 1 250.302 1.804 10 5 CDBEMO Cc1noc(C[N@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)c1[N+](=O)[O-] ZINC001195596289 924662703 /nfs/dbraw/zinc/66/27/03/924662703.db2.gz LPZIYTFBFNBGTP-FKTZTGRPSA-N 1 1 296.327 1.366 10 5 CDBEMO Cc1nn(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853586463 928049759 /nfs/dbraw/zinc/04/97/59/928049759.db2.gz SDGSAXSERWJKKR-NEPJUHHUSA-N 1 1 280.328 1.334 10 5 CDBEMO Cc1nn(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853586463 928049769 /nfs/dbraw/zinc/04/97/69/928049769.db2.gz SDGSAXSERWJKKR-NEPJUHHUSA-N 1 1 280.328 1.334 10 5 CDBEMO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000928446721 933146143 /nfs/dbraw/zinc/14/61/43/933146143.db2.gz YBHTZYDMVCOXPA-QPUJVOFHSA-N 1 1 281.287 1.556 10 5 CDBEMO CN(CC[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000930036629 933300597 /nfs/dbraw/zinc/30/05/97/933300597.db2.gz CDBKXPYLVMIOME-AWEZNQCLSA-N 1 1 263.341 1.469 10 5 CDBEMO COc1ccc(C2CC[NH+](CC[N+](=O)[O-])CC2)nc1 ZINC000930841882 933459772 /nfs/dbraw/zinc/45/97/72/933459772.db2.gz QHMJPRMDICXVHH-UHFFFAOYSA-N 1 1 265.313 1.546 10 5 CDBEMO Cn1ncc2c1CC(C)(C)C[N@H+](CC[N+](=O)[O-])C2 ZINC000931083588 933503785 /nfs/dbraw/zinc/50/37/85/933503785.db2.gz QKVQVSUBLONBTE-UHFFFAOYSA-N 1 1 252.318 1.081 10 5 CDBEMO Cn1ncc2c1CC(C)(C)C[N@@H+](CC[N+](=O)[O-])C2 ZINC000931083588 933503788 /nfs/dbraw/zinc/50/37/88/933503788.db2.gz QKVQVSUBLONBTE-UHFFFAOYSA-N 1 1 252.318 1.081 10 5 CDBEMO CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001479292386 971292850 /nfs/dbraw/zinc/29/28/50/971292850.db2.gz DLLIWOPMCBANST-NMMKFXDXSA-N 1 1 295.383 1.492 10 5 CDBEMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCO[C@@H]1CCOC1)CC2 ZINC001332653851 957656648 /nfs/dbraw/zinc/65/66/48/957656648.db2.gz RJNSLIROENMISB-OAHLLOKOSA-N 1 1 292.335 1.758 10 5 CDBEMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCO[C@@H]1CCOC1)CC2 ZINC001332653851 957656657 /nfs/dbraw/zinc/65/66/57/957656657.db2.gz RJNSLIROENMISB-OAHLLOKOSA-N 1 1 292.335 1.758 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)cs1 ZINC001560231505 960892366 /nfs/dbraw/zinc/89/23/66/960892366.db2.gz VEOGBOVUIDMPTF-MNOVXSKESA-N 1 1 286.353 1.079 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](CO)[C@H](CCO)C2)cs1 ZINC001560231505 960892387 /nfs/dbraw/zinc/89/23/87/960892387.db2.gz VEOGBOVUIDMPTF-MNOVXSKESA-N 1 1 286.353 1.079 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(NCCCC[N@@H+](C)C2CC2)n1 ZINC001458418384 969298340 /nfs/dbraw/zinc/29/83/40/969298340.db2.gz FDFXXIZZTXADJG-UHFFFAOYSA-N 1 1 267.333 1.615 10 5 CDBEMO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC001459877000 969455390 /nfs/dbraw/zinc/45/53/90/969455390.db2.gz ZJCPTNNOOZVQJT-KOLCDFICSA-N 1 1 251.286 1.193 10 5 CDBEMO C[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@@H]1O ZINC001459877000 969455397 /nfs/dbraw/zinc/45/53/97/969455397.db2.gz ZJCPTNNOOZVQJT-KOLCDFICSA-N 1 1 251.286 1.193 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3cnccn3)C2)n1 ZINC001460866170 969557988 /nfs/dbraw/zinc/55/79/88/969557988.db2.gz XVPOSPLXYIYJTK-LLVKDONJSA-N 1 1 288.311 1.071 10 5 CDBEMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C[C@H]1C ZINC001466104090 969922835 /nfs/dbraw/zinc/92/28/35/969922835.db2.gz UOFQBMDDULJPSJ-LLVKDONJSA-N 1 1 292.339 1.464 10 5 CDBEMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)C[C@H]1C ZINC001466104090 969922840 /nfs/dbraw/zinc/92/28/40/969922840.db2.gz UOFQBMDDULJPSJ-LLVKDONJSA-N 1 1 292.339 1.464 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CC=CCC2)n1 ZINC001467675905 970086987 /nfs/dbraw/zinc/08/69/87/970086987.db2.gz HGMNPKVFNVGBLC-UHFFFAOYSA-N 1 1 290.323 1.290 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@@H+]2CC=CCC2)n1 ZINC001467675905 970086998 /nfs/dbraw/zinc/08/69/98/970086998.db2.gz HGMNPKVFNVGBLC-UHFFFAOYSA-N 1 1 290.323 1.290 10 5 CDBEMO CC(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496701635 973056760 /nfs/dbraw/zinc/05/67/60/973056760.db2.gz GLMHDBRGGWTUEE-VXGBXAGGSA-N 1 1 271.361 1.088 10 5 CDBEMO CC(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496701635 973056770 /nfs/dbraw/zinc/05/67/70/973056770.db2.gz GLMHDBRGGWTUEE-VXGBXAGGSA-N 1 1 271.361 1.088 10 5 CDBEMO CC(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001496701635 973056780 /nfs/dbraw/zinc/05/67/80/973056780.db2.gz GLMHDBRGGWTUEE-VXGBXAGGSA-N 1 1 271.361 1.088 10 5 CDBEMO CC[N@H+](CCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494133 342507844 /nfs/dbraw/zinc/50/78/44/342507844.db2.gz AFXCQPZFLPIKLK-UHFFFAOYSA-N 1 1 282.296 1.196 10 5 CDBEMO CC[N@@H+](CCO)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494133 342507845 /nfs/dbraw/zinc/50/78/45/342507845.db2.gz AFXCQPZFLPIKLK-UHFFFAOYSA-N 1 1 282.296 1.196 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590012760 342520161 /nfs/dbraw/zinc/52/01/61/342520161.db2.gz XWDQPCBTYLAJNF-UKRRQHHQSA-N 1 1 275.352 1.773 10 5 CDBEMO CN1C[C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590012760 342520162 /nfs/dbraw/zinc/52/01/62/342520162.db2.gz XWDQPCBTYLAJNF-UKRRQHHQSA-N 1 1 275.352 1.773 10 5 CDBEMO CN1C[C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590012760 342520163 /nfs/dbraw/zinc/52/01/63/342520163.db2.gz XWDQPCBTYLAJNF-UKRRQHHQSA-N 1 1 275.352 1.773 10 5 CDBEMO Cc1c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cccc1[N+](=O)[O-] ZINC000590043748 342520471 /nfs/dbraw/zinc/52/04/71/342520471.db2.gz FPTPTXAGTKSCCD-RISCZKNCSA-N 1 1 289.335 1.679 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000590445826 342546511 /nfs/dbraw/zinc/54/65/11/342546511.db2.gz SIQFWMLTARGXDA-ZANVPECISA-N 1 1 293.298 1.510 10 5 CDBEMO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000092454744 341999117 /nfs/dbraw/zinc/99/91/17/341999117.db2.gz YUROCKXCUUTVHR-VIFPVBQESA-N 1 1 251.286 1.094 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590661391 342581450 /nfs/dbraw/zinc/58/14/50/342581450.db2.gz BJRGBRFMRKVMMF-ZWNOBZJWSA-N 1 1 250.298 1.858 10 5 CDBEMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000595661798 343120238 /nfs/dbraw/zinc/12/02/38/343120238.db2.gz HQWDYODKLMTQJK-SUZMYJTESA-N 1 1 294.307 1.576 10 5 CDBEMO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000595752281 343152673 /nfs/dbraw/zinc/15/26/73/343152673.db2.gz WFRNJZLMJVIWGJ-JYAVWHMHSA-N 1 1 294.351 1.922 10 5 CDBEMO O=[N+]([O-])c1ccsc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537563 343345629 /nfs/dbraw/zinc/34/56/29/343345629.db2.gz HQEGWTQFZDLKAN-NSHDSACASA-N 1 1 297.380 1.692 10 5 CDBEMO COCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000092649501 342415892 /nfs/dbraw/zinc/41/58/92/342415892.db2.gz OPLAPSIAXDDPCV-LBPRGKRZSA-N 1 1 294.355 1.821 10 5 CDBEMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000100633589 529831845 /nfs/dbraw/zinc/83/18/45/529831845.db2.gz GIIYNQKTYHZSAK-UBSAEIQESA-N 1 1 289.335 1.950 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)s1 ZINC000610075964 346167565 /nfs/dbraw/zinc/16/75/65/346167565.db2.gz JOASLMHYCNKSRB-UHFFFAOYSA-N 1 1 271.342 1.161 10 5 CDBEMO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1F ZINC000611501643 346806659 /nfs/dbraw/zinc/80/66/59/346806659.db2.gz GDVNADRWUVTQQT-VHSXEESVSA-N 1 1 256.281 1.471 10 5 CDBEMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1F ZINC000611501643 346806663 /nfs/dbraw/zinc/80/66/63/346806663.db2.gz GDVNADRWUVTQQT-VHSXEESVSA-N 1 1 256.281 1.471 10 5 CDBEMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271801442 191335596 /nfs/dbraw/zinc/33/55/96/191335596.db2.gz MLCNVOZKJADXNL-MFKMUULPSA-N 1 1 277.324 1.866 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000360897863 357738479 /nfs/dbraw/zinc/73/84/79/357738479.db2.gz WTHNJIJUCUIJQZ-LBPRGKRZSA-N 1 1 293.371 1.793 10 5 CDBEMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000193580345 358305595 /nfs/dbraw/zinc/30/55/95/358305595.db2.gz SXGDSWFGILBHPI-OIBJUYFYSA-N 1 1 269.326 1.271 10 5 CDBEMO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000339568674 359415369 /nfs/dbraw/zinc/41/53/69/359415369.db2.gz RCCLCAOOSIZBRL-WDEREUQCSA-N 1 1 277.324 1.898 10 5 CDBEMO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000339568674 359415371 /nfs/dbraw/zinc/41/53/71/359415371.db2.gz RCCLCAOOSIZBRL-WDEREUQCSA-N 1 1 277.324 1.898 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H](C)C1 ZINC000548091093 360089258 /nfs/dbraw/zinc/08/92/58/360089258.db2.gz MXWVKBIZCANGQR-MWLCHTKSSA-N 1 1 295.343 1.120 10 5 CDBEMO Cc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174809059 364570705 /nfs/dbraw/zinc/57/07/05/364570705.db2.gz HNGFVUYWGQZWFG-UHFFFAOYSA-N 1 1 264.285 1.825 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000348549043 367492552 /nfs/dbraw/zinc/49/25/52/367492552.db2.gz RFEAVQBEHROJTP-ZDUSSCGKSA-N 1 1 277.324 1.566 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCN(C)C1=O ZINC000348549043 367492554 /nfs/dbraw/zinc/49/25/54/367492554.db2.gz RFEAVQBEHROJTP-ZDUSSCGKSA-N 1 1 277.324 1.566 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](C)C1 ZINC000330895392 203362486 /nfs/dbraw/zinc/36/24/86/203362486.db2.gz GDXZEYYJOGGTMT-GWCFXTLKSA-N 1 1 294.355 1.725 10 5 CDBEMO CC1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000547293083 373283881 /nfs/dbraw/zinc/28/38/81/373283881.db2.gz MLEJQNBXBRRCAL-UHFFFAOYSA-N 1 1 290.323 1.372 10 5 CDBEMO O=[N+]([O-])c1ccc(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422938235 374364918 /nfs/dbraw/zinc/36/49/18/374364918.db2.gz HAHBMGBTLURVQG-HUUCEWRRSA-N 1 1 291.351 1.451 10 5 CDBEMO COc1cc(C[N@@H+](C)CCCCO)c([N+](=O)[O-])cc1OC ZINC000276667634 374741239 /nfs/dbraw/zinc/74/12/39/374741239.db2.gz OTCSJZOYINGPRY-UHFFFAOYSA-N 1 1 298.339 1.816 10 5 CDBEMO O=C1C[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)CN1 ZINC000282609333 375095798 /nfs/dbraw/zinc/09/57/98/375095798.db2.gz YTBFDULVXBKLIT-CQSZACIVSA-N 1 1 293.298 1.446 10 5 CDBEMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000246273447 379520395 /nfs/dbraw/zinc/52/03/95/379520395.db2.gz MSUHNRIEZGIZMP-BXUZGUMPSA-N 1 1 280.324 1.739 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c(F)c1 ZINC000494661087 390811254 /nfs/dbraw/zinc/81/12/54/390811254.db2.gz JEOBNXBITSMJQL-LBPRGKRZSA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c(F)c1 ZINC000494661087 390811256 /nfs/dbraw/zinc/81/12/56/390811256.db2.gz JEOBNXBITSMJQL-LBPRGKRZSA-N 1 1 266.272 1.691 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000048753456 391375976 /nfs/dbraw/zinc/37/59/76/391375976.db2.gz VDFHBPPGQDDGAQ-GFCCVEGCSA-N 1 1 277.324 1.809 10 5 CDBEMO C[N@H+]1CCO[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000301682460 392845500 /nfs/dbraw/zinc/84/55/00/392845500.db2.gz VTRMZRFGUUETHO-OLZOCXBDSA-N 1 1 297.742 1.767 10 5 CDBEMO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425350098 393020988 /nfs/dbraw/zinc/02/09/88/393020988.db2.gz DZVSYEKQXVDUSU-NSHDSACASA-N 1 1 273.296 1.702 10 5 CDBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCNC1=O ZINC000352562186 155272221 /nfs/dbraw/zinc/27/22/21/155272221.db2.gz JEKBQUJNUSAIJW-CYBMUJFWSA-N 1 1 277.324 1.348 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)(C[NH3+])CC1 ZINC000397091561 270345853 /nfs/dbraw/zinc/34/58/53/270345853.db2.gz WASHYXGBKQRSHB-LLVKDONJSA-N 1 1 279.340 1.441 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000247204729 275040998 /nfs/dbraw/zinc/04/09/98/275040998.db2.gz VAILVKJCELNJOP-VIFPVBQESA-N 1 1 282.731 1.928 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]3CCOC[C@@H]3C2)n1 ZINC000408199770 280398774 /nfs/dbraw/zinc/39/87/74/280398774.db2.gz WMQWNTUIWAACQP-LBPRGKRZSA-N 1 1 292.339 1.127 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+]3CCOC[C@@H]3C2)n1 ZINC000408199770 280398777 /nfs/dbraw/zinc/39/87/77/280398777.db2.gz WMQWNTUIWAACQP-LBPRGKRZSA-N 1 1 292.339 1.127 10 5 CDBEMO CC[N@H+]1CCC[C@@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455434 521627826 /nfs/dbraw/zinc/62/78/26/521627826.db2.gz SNPSIQQUSYAEDZ-MRVPVSSYSA-N 1 1 285.735 1.934 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000062540215 523913307 /nfs/dbraw/zinc/91/33/07/523913307.db2.gz HTJCJCOHXGLNHB-MRVPVSSYSA-N 1 1 272.232 1.003 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(C)(CO)CO ZINC000183355903 525564506 /nfs/dbraw/zinc/56/45/06/525564506.db2.gz UJDKEIUBMBNEKP-UHFFFAOYSA-N 1 1 282.340 1.326 10 5 CDBEMO [NH3+]C[C@@H]1CCCN(CCc2ccccc2[N+](=O)[O-])C1 ZINC000062727105 527212881 /nfs/dbraw/zinc/21/28/81/527212881.db2.gz VSVLWRMHGJVHMP-LBPRGKRZSA-N 1 1 263.341 1.808 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000748349731 576907520 /nfs/dbraw/zinc/90/75/20/576907520.db2.gz DFTAYDULLFKABW-SECBINFHSA-N 1 1 278.312 1.074 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000748349731 576907521 /nfs/dbraw/zinc/90/75/21/576907521.db2.gz DFTAYDULLFKABW-SECBINFHSA-N 1 1 278.312 1.074 10 5 CDBEMO Cc1c(NC(=O)NC[C@H]2CC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000925395778 630714189 /nfs/dbraw/zinc/71/41/89/630714189.db2.gz ZJCYEYGZWCGDFY-SNVBAGLBSA-N 1 1 278.312 1.729 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)C1(O)CCC1)C2 ZINC000930098875 632679460 /nfs/dbraw/zinc/67/94/60/632679460.db2.gz GXAQLXXZEOQSIH-AWEZNQCLSA-N 1 1 292.335 1.229 10 5 CDBEMO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001634599632 1166518304 /nfs/dbraw/zinc/51/83/04/1166518304.db2.gz LPGHMFZCRPMTGV-SECBINFHSA-N 1 1 281.316 1.521 10 5 CDBEMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001634599632 1166518309 /nfs/dbraw/zinc/51/83/09/1166518309.db2.gz LPGHMFZCRPMTGV-SECBINFHSA-N 1 1 281.316 1.521 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC001651927935 1171377346 /nfs/dbraw/zinc/37/73/46/1171377346.db2.gz FDQBOXVYGMRICZ-SNVBAGLBSA-N 1 1 267.333 1.472 10 5 CDBEMO C[C@H](O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001652760809 1171473855 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CDBEMO O=[N+]([O-])c1ncccc1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001643270262 1167240222 /nfs/dbraw/zinc/24/02/22/1167240222.db2.gz DOUROGOXKNDUIU-UWVGGRQHSA-N 1 1 266.276 1.222 10 5 CDBEMO CC(C)=CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001486368578 920947862 /nfs/dbraw/zinc/94/78/62/920947862.db2.gz SUNBUWLNOXTXCD-ZIAGYGMSSA-N 1 1 297.399 1.787 10 5 CDBEMO CC(C)=CC[N@@H+](C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001486368578 920947870 /nfs/dbraw/zinc/94/78/70/920947870.db2.gz SUNBUWLNOXTXCD-ZIAGYGMSSA-N 1 1 297.399 1.787 10 5 CDBEMO CC(C)=CC[N@H+](C)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001486368578 920947880 /nfs/dbraw/zinc/94/78/80/920947880.db2.gz SUNBUWLNOXTXCD-ZIAGYGMSSA-N 1 1 297.399 1.787 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@H+](C)C2)n1 ZINC001144808386 932033486 /nfs/dbraw/zinc/03/34/86/932033486.db2.gz UKUHEVHPVXZJEI-JTQLQIEISA-N 1 1 278.312 1.122 10 5 CDBEMO Cc1nnc(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001119759878 937753997 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O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001261638967 946207429 /nfs/dbraw/zinc/20/74/29/946207429.db2.gz RKBZDGVWZOFWIY-GFCCVEGCSA-N 1 1 266.272 1.691 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001526558963 968568035 /nfs/dbraw/zinc/56/80/35/968568035.db2.gz LKTAXYKFMHMTOY-UHFFFAOYSA-N 1 1 278.243 1.878 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC001458717917 969339431 /nfs/dbraw/zinc/33/94/31/969339431.db2.gz JETDZSUPHZZPHE-SNVBAGLBSA-N 1 1 265.317 1.224 10 5 CDBEMO Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)c(N)c1[N+](=O)[O-] ZINC001472226219 970598913 /nfs/dbraw/zinc/59/89/13/970598913.db2.gz AHFMTLBZGNUBOO-LLVKDONJSA-N 1 1 292.339 1.908 10 5 CDBEMO Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)c(N)c1[N+](=O)[O-] ZINC001472226219 970598917 /nfs/dbraw/zinc/59/89/17/970598917.db2.gz AHFMTLBZGNUBOO-LLVKDONJSA-N 1 1 292.339 1.908 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC001652340038 1171429038 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COc1cc(CN[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000608782024 342039862 /nfs/dbraw/zinc/03/98/62/342039862.db2.gz HDCACGXTTXIBER-LLVKDONJSA-N 1 1 295.339 1.493 10 5 CDBEMO COc1cc(CN[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000608782024 342039863 /nfs/dbraw/zinc/03/98/63/342039863.db2.gz HDCACGXTTXIBER-LLVKDONJSA-N 1 1 295.339 1.493 10 5 CDBEMO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000127173048 342181118 /nfs/dbraw/zinc/18/11/18/342181118.db2.gz ZPOPIZKWQGJDHX-UHFFFAOYSA-N 1 1 290.323 1.907 10 5 CDBEMO C[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000593725795 342829239 /nfs/dbraw/zinc/82/92/39/342829239.db2.gz WKNDCOMISVPSMG-HZMBPMFUSA-N 1 1 279.340 1.860 10 5 CDBEMO CC[N@@H+](C)C[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000593969055 342858542 /nfs/dbraw/zinc/85/85/42/342858542.db2.gz YPTWAZPUWIFMQB-ZDUSSCGKSA-N 1 1 293.367 1.266 10 5 CDBEMO Cc1noc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000595338474 343029879 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CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000295092120 199340763 /nfs/dbraw/zinc/34/07/63/199340763.db2.gz AFMGRZKRZCTDND-GWCFXTLKSA-N 1 1 280.324 1.949 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](O)[C@@H]1C ZINC000295092120 199340764 /nfs/dbraw/zinc/34/07/64/199340764.db2.gz AFMGRZKRZCTDND-GWCFXTLKSA-N 1 1 280.324 1.949 10 5 CDBEMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000292869528 362506560 /nfs/dbraw/zinc/50/65/60/362506560.db2.gz AXJNNKCYWZOVEC-MDZLAQPJSA-N 1 1 280.324 1.675 10 5 CDBEMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093334489 147045396 /nfs/dbraw/zinc/04/53/96/147045396.db2.gz UEBMKIKBMYWQBU-GWCFXTLKSA-N 1 1 250.298 1.798 10 5 CDBEMO COCC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344423385 362767808 /nfs/dbraw/zinc/76/78/08/362767808.db2.gz RNLRDAWKNJUAIQ-LBPRGKRZSA-N 1 1 280.328 1.513 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000613936777 347955820 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NHCSWEZZFXCLCR-JTQLQIEISA-N 1 1 293.323 1.467 10 5 CDBEMO COc1cc(C[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000352417313 155173848 /nfs/dbraw/zinc/17/38/48/155173848.db2.gz OOWOBFLXUFDHHC-UHFFFAOYSA-N 1 1 266.297 1.826 10 5 CDBEMO COc1cc(C[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000352417313 155173853 /nfs/dbraw/zinc/17/38/53/155173853.db2.gz OOWOBFLXUFDHHC-UHFFFAOYSA-N 1 1 266.297 1.826 10 5 CDBEMO CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354074405 156255037 /nfs/dbraw/zinc/25/50/37/156255037.db2.gz GBWSLWZAOWLTCI-SNVBAGLBSA-N 1 1 265.317 1.001 10 5 CDBEMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cn[nH]c1 ZINC000358789146 158026386 /nfs/dbraw/zinc/02/63/86/158026386.db2.gz GZMKBOHFAXMCFU-MRVPVSSYSA-N 1 1 289.295 1.268 10 5 CDBEMO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000284643894 196101457 /nfs/dbraw/zinc/10/14/57/196101457.db2.gz UTURRQFIJMLXKF-NWDGAFQWSA-N 1 1 284.287 1.316 10 5 CDBEMO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 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277.324 1.681 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000299357554 275036167 /nfs/dbraw/zinc/03/61/67/275036167.db2.gz TYXDWFZPGAIHAL-UHFFFAOYSA-N 1 1 292.295 1.787 10 5 CDBEMO COc1cccc(N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000185267175 278016056 /nfs/dbraw/zinc/01/60/56/278016056.db2.gz JRAIGNKUAWNBEI-UHFFFAOYSA-N 1 1 277.324 1.888 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1N1CCC([N@@H+](C)CCO)CC1 ZINC000155041526 281259105 /nfs/dbraw/zinc/25/91/05/281259105.db2.gz MKLSLJYLJDRGGW-UHFFFAOYSA-N 1 1 293.367 1.796 10 5 CDBEMO CC[N@H+]1CCC[C@@H]1CNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454909 521641320 /nfs/dbraw/zinc/64/13/20/521641320.db2.gz WFYIFOJIKPEUCF-MRVPVSSYSA-N 1 1 285.735 1.934 10 5 CDBEMO COC(=O)[C@@]([NH3+])(CSc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000069184492 523826448 /nfs/dbraw/zinc/82/64/48/523826448.db2.gz LVKNZHUXADKBAI-CYBMUJFWSA-N 1 1 296.348 1.967 10 5 CDBEMO C[NH+](C)CC1CCN(Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050815609 524049891 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CDBEMO N[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000925631894 677741140 /nfs/dbraw/zinc/74/11/40/677741140.db2.gz YFPPHSFMYUOMEX-ZIAGYGMSSA-N 1 1 275.352 1.997 10 5 CDBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000860131000 678230107 /nfs/dbraw/zinc/23/01/07/678230107.db2.gz NOVBENHGXOCWDB-CJYSPXJISA-N 1 1 292.335 1.473 10 5 CDBEMO C[C@]12COC[C@@H]1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000852533808 678709521 /nfs/dbraw/zinc/70/95/21/678709521.db2.gz DMSRPIRWLNGREJ-QEJZJMRPSA-N 1 1 292.335 1.597 10 5 CDBEMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000928444775 678883216 /nfs/dbraw/zinc/88/32/16/678883216.db2.gz MIXFBEGJXUMALW-GWCFXTLKSA-N 1 1 277.324 1.726 10 5 CDBEMO Cc1ccc(O[C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)nc1 ZINC000931270185 679023589 /nfs/dbraw/zinc/02/35/89/679023589.db2.gz SXXVFNYJZULVOY-LLVKDONJSA-N 1 1 251.286 1.120 10 5 CDBEMO Cc1ccc(O[C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)nc1 ZINC000931270185 679023592 /nfs/dbraw/zinc/02/35/92/679023592.db2.gz SXXVFNYJZULVOY-LLVKDONJSA-N 1 1 251.286 1.120 10 5 CDBEMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCNC1=O ZINC000872085841 679039647 /nfs/dbraw/zinc/03/96/47/679039647.db2.gz REEPSVHRSBTZCH-KWQFWETISA-N 1 1 295.364 1.856 10 5 CDBEMO Cc1ccc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000842047461 679053662 /nfs/dbraw/zinc/05/36/62/679053662.db2.gz OHRUNVPSAGQHIJ-CHWSQXEVSA-N 1 1 293.367 1.795 10 5 CDBEMO Cc1nn(C)c(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866208912 679122260 /nfs/dbraw/zinc/12/22/60/679122260.db2.gz XHMGOEUHOHPBKK-WDEREUQCSA-N 1 1 279.344 1.167 10 5 CDBEMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000931495251 679374146 /nfs/dbraw/zinc/37/41/46/679374146.db2.gz FWIRILMZIBDCAI-LBPRGKRZSA-N 1 1 292.339 1.983 10 5 CDBEMO CCCCC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001482218138 1160058733 /nfs/dbraw/zinc/05/87/33/1160058733.db2.gz JQEYDHPSDYKJIO-CHWSQXEVSA-N 1 1 297.399 1.860 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)n1 ZINC001633279312 1166413832 /nfs/dbraw/zinc/41/38/32/1166413832.db2.gz XFQCMONDXUUSJF-LLVKDONJSA-N 1 1 292.339 1.370 10 5 CDBEMO Cc1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC001636729392 1166692216 /nfs/dbraw/zinc/69/22/16/1166692216.db2.gz XFUNFTMXLDPTGC-JTQLQIEISA-N 1 1 292.339 1.766 10 5 CDBEMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)c(N)c1[N+](=O)[O-] ZINC001653214296 1171518189 /nfs/dbraw/zinc/51/81/89/1171518189.db2.gz DLZWCGXRQKLSQV-JTQLQIEISA-N 1 1 278.312 1.518 10 5 CDBEMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)c(N)c1[N+](=O)[O-] ZINC001653214296 1171518198 /nfs/dbraw/zinc/51/81/98/1171518198.db2.gz DLZWCGXRQKLSQV-JTQLQIEISA-N 1 1 278.312 1.518 10 5 CDBEMO CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001731444044 1182389520 /nfs/dbraw/zinc/38/95/20/1182389520.db2.gz FQKUWHKEWRREHY-DDHJBXDOSA-N 1 1 269.345 1.079 10 5 CDBEMO CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001731477020 1182409083 /nfs/dbraw/zinc/40/90/83/1182409083.db2.gz ZHQNDCGIIXTBKV-TWNRCFSMSA-N 1 1 281.356 1.245 10 5 CDBEMO N[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000405371228 940985192 /nfs/dbraw/zinc/98/51/92/940985192.db2.gz ZEOSUFYICGMIGW-ZIAGYGMSSA-N 1 1 275.352 1.997 10 5 CDBEMO [NH3+][C@@H]1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000405371228 940985194 /nfs/dbraw/zinc/98/51/94/940985194.db2.gz ZEOSUFYICGMIGW-ZIAGYGMSSA-N 1 1 275.352 1.997 10 5 CDBEMO CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001326821810 954573239 /nfs/dbraw/zinc/57/32/39/954573239.db2.gz IQIHDFXXERQQSO-VXGBXAGGSA-N 1 1 283.372 1.326 10 5 CDBEMO CC[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC001559768373 960807739 /nfs/dbraw/zinc/80/77/39/960807739.db2.gz FTLOXGPEOKCXBB-LOWVWBTDSA-N 1 1 282.344 1.273 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001655117513 1171670070 /nfs/dbraw/zinc/67/00/70/1171670070.db2.gz XYZATNRYTVTBJT-JQWIXIFHSA-N 1 1 298.314 1.157 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ccncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601183968 342489166 /nfs/dbraw/zinc/48/91/66/342489166.db2.gz DXTMIUIZFZRHKI-MNOVXSKESA-N 1 1 262.313 1.378 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](OC(F)F)C2)n1 ZINC000611579151 346824806 /nfs/dbraw/zinc/82/48/06/346824806.db2.gz JSTMPYGPKWXEOI-SECBINFHSA-N 1 1 290.270 1.495 10 5 CDBEMO CC(C)[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000223802179 539087866 /nfs/dbraw/zinc/08/78/66/539087866.db2.gz UHOGAXVWSUMCIQ-LLVKDONJSA-N 1 1 285.731 1.848 10 5 CDBEMO COc1ncncc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000592366723 342689667 /nfs/dbraw/zinc/68/96/67/342689667.db2.gz HUDNMHXMUUOUPO-UHFFFAOYSA-N 1 1 288.307 1.992 10 5 CDBEMO Cc1cccc(C(=O)N[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000048751916 342262746 /nfs/dbraw/zinc/26/27/46/342262746.db2.gz IJWONZTYWJVPEK-NSHDSACASA-N 1 1 277.324 1.727 10 5 CDBEMO C[C@@]1(C2CC2)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595617192 343110819 /nfs/dbraw/zinc/11/08/19/343110819.db2.gz GFRIRYNISCEHEI-ZDUSSCGKSA-N 1 1 280.328 1.292 10 5 CDBEMO C[C@@]1(C2CC2)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000595617192 343110821 /nfs/dbraw/zinc/11/08/21/343110821.db2.gz GFRIRYNISCEHEI-ZDUSSCGKSA-N 1 1 280.328 1.292 10 5 CDBEMO C[C@H]1COC2(CCC2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595681857 343130819 /nfs/dbraw/zinc/13/08/19/343130819.db2.gz NIVLQVGEGLUDGG-NSHDSACASA-N 1 1 280.328 1.435 10 5 CDBEMO C[C@H]1COC2(CCC2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595681857 343130821 /nfs/dbraw/zinc/13/08/21/343130821.db2.gz NIVLQVGEGLUDGG-NSHDSACASA-N 1 1 280.328 1.435 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc1 ZINC000596537414 343345645 /nfs/dbraw/zinc/34/56/45/343345645.db2.gz FJRABEOIEVTWNZ-CYBMUJFWSA-N 1 1 292.339 1.025 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C)C1 ZINC000597943960 343674997 /nfs/dbraw/zinc/67/49/97/343674997.db2.gz BGCGWFRJISLSGK-LLVKDONJSA-N 1 1 278.312 1.156 10 5 CDBEMO CCc1n[nH]c(C(=O)N(CC)[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000597945582 343675500 /nfs/dbraw/zinc/67/55/00/343675500.db2.gz ITHNHLSFTQPHMU-VIFPVBQESA-N 1 1 295.343 1.047 10 5 CDBEMO CCc1[nH]nc(C(=O)N(CC)[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000597945582 343675501 /nfs/dbraw/zinc/67/55/01/343675501.db2.gz ITHNHLSFTQPHMU-VIFPVBQESA-N 1 1 295.343 1.047 10 5 CDBEMO CCc1[nH]nc(C(=O)N(CC)[C@H]2CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000597945582 343675505 /nfs/dbraw/zinc/67/55/05/343675505.db2.gz ITHNHLSFTQPHMU-VIFPVBQESA-N 1 1 295.343 1.047 10 5 CDBEMO Cc1c[nH+]cn1CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599104248 343955189 /nfs/dbraw/zinc/95/51/89/343955189.db2.gz UEUKLISATLBYMZ-LLVKDONJSA-N 1 1 288.307 1.977 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681933 344118408 /nfs/dbraw/zinc/11/84/08/344118408.db2.gz FBXBNPNSJBZGCM-PSOPSSQASA-N 1 1 292.335 1.949 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000601594640 344200587 /nfs/dbraw/zinc/20/05/87/344200587.db2.gz NCVJNKFCCQVBNL-SKDRFNHKSA-N 1 1 293.298 1.510 10 5 CDBEMO CC[N@H+]1CCN(c2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000611084673 346603954 /nfs/dbraw/zinc/60/39/54/346603954.db2.gz IYJKHIDWNUVXFI-JTQLQIEISA-N 1 1 250.302 1.520 10 5 CDBEMO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(N)=O ZINC000271596846 191234501 /nfs/dbraw/zinc/23/45/01/191234501.db2.gz HHBQVPQLDYQENM-PSASIEDQSA-N 1 1 251.286 1.509 10 5 CDBEMO CC[C@@H](CO)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001660185042 1172173291 /nfs/dbraw/zinc/17/32/91/1172173291.db2.gz NBQGVZBQSCLSDK-VIFPVBQESA-N 1 1 292.295 1.505 10 5 CDBEMO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000065604205 363392967 /nfs/dbraw/zinc/39/29/67/363392967.db2.gz QLZDENNAVHROHX-UHFFFAOYSA-N 1 1 289.335 1.444 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000578061259 356126073 /nfs/dbraw/zinc/12/60/73/356126073.db2.gz GDPCCINUQLTPPG-WDEREUQCSA-N 1 1 281.360 1.495 10 5 CDBEMO C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000273580220 192214875 /nfs/dbraw/zinc/21/48/75/192214875.db2.gz FOOJALLGLMNGTQ-NXEZZACHSA-N 1 1 265.317 1.304 10 5 CDBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000408112582 358157706 /nfs/dbraw/zinc/15/77/06/358157706.db2.gz MCDBOWWGNAEXTN-SECBINFHSA-N 1 1 281.287 1.510 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000408112582 358157708 /nfs/dbraw/zinc/15/77/08/358157708.db2.gz MCDBOWWGNAEXTN-SECBINFHSA-N 1 1 281.287 1.510 10 5 CDBEMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176286832 358782679 /nfs/dbraw/zinc/78/26/79/358782679.db2.gz CSPQFYGRYHJSKJ-WDEREUQCSA-N 1 1 252.318 1.912 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000104185376 358950269 /nfs/dbraw/zinc/95/02/69/358950269.db2.gz XWVIFALNMXGKGV-NSHDSACASA-N 1 1 277.324 1.585 10 5 CDBEMO COC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000050117717 359310842 /nfs/dbraw/zinc/31/08/42/359310842.db2.gz FLFAHYYLKUTDEE-NSHDSACASA-N 1 1 254.286 1.034 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000571714893 359604265 /nfs/dbraw/zinc/60/42/65/359604265.db2.gz XIYQWKFMQNSHCY-GFCCVEGCSA-N 1 1 293.371 1.794 10 5 CDBEMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000177251143 189039865 /nfs/dbraw/zinc/03/98/65/189039865.db2.gz ORYJUAUUSLZOTH-UHFFFAOYSA-N 1 1 288.307 1.896 10 5 CDBEMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cnccn1 ZINC000177251143 189039866 /nfs/dbraw/zinc/03/98/66/189039866.db2.gz ORYJUAUUSLZOTH-UHFFFAOYSA-N 1 1 288.307 1.896 10 5 CDBEMO CNC(=O)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000183671251 261436656 /nfs/dbraw/zinc/43/66/56/261436656.db2.gz ZJVGODOLAOKWEU-LBPRGKRZSA-N 1 1 283.303 1.594 10 5 CDBEMO O=[N+]([O-])c1ccc(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422938234 374364363 /nfs/dbraw/zinc/36/43/63/374364363.db2.gz HAHBMGBTLURVQG-GJZGRUSLSA-N 1 1 291.351 1.451 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3CCCC[C@H]32)n1 ZINC000377774858 374618775 /nfs/dbraw/zinc/61/87/75/374618775.db2.gz YTOBCBLWCYAEMA-GHMZBOCLSA-N 1 1 250.302 1.666 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000377780585 374619539 /nfs/dbraw/zinc/61/95/39/374619539.db2.gz QTLRTNRVKFVJLO-ZYHUDNBSSA-N 1 1 250.302 1.666 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265675661 190199469 /nfs/dbraw/zinc/19/94/69/190199469.db2.gz ZHDVXSMWWISCGK-MFKMUULPSA-N 1 1 277.324 1.818 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265675661 190199470 /nfs/dbraw/zinc/19/94/70/190199470.db2.gz ZHDVXSMWWISCGK-MFKMUULPSA-N 1 1 277.324 1.818 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC(N)=O)CC(C)C ZINC000183278137 391259528 /nfs/dbraw/zinc/25/95/28/391259528.db2.gz LBHOFPPGQQLIAF-UHFFFAOYSA-N 1 1 279.340 1.847 10 5 CDBEMO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000418110089 392875319 /nfs/dbraw/zinc/87/53/19/392875319.db2.gz IZXHAPGOXYUETL-MNOVXSKESA-N 1 1 299.396 1.543 10 5 CDBEMO CC[N@@H+](CCOCCO)Cc1ccc([N+](=O)[O-])cc1C ZINC000281924315 393162982 /nfs/dbraw/zinc/16/29/82/393162982.db2.gz AJYJRGNUSJNXIC-UHFFFAOYSA-N 1 1 282.340 1.734 10 5 CDBEMO Cc1cc(N2CCO[C@H]3CC[N@H+](C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000284591242 393192965 /nfs/dbraw/zinc/19/29/65/393192965.db2.gz QGMJSGFLLSCBDW-OLZOCXBDSA-N 1 1 292.339 1.208 10 5 CDBEMO C[N@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])ccn1 ZINC000044563219 175206716 /nfs/dbraw/zinc/20/67/16/175206716.db2.gz BJRPSPJZWRZNHV-LLVKDONJSA-N 1 1 250.302 1.886 10 5 CDBEMO O=C(NC1(C[NH2+]CCCF)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001665921876 1173086478 /nfs/dbraw/zinc/08/64/78/1173086478.db2.gz WOTUMBBHTVAJKV-GHMZBOCLSA-N 1 1 287.335 1.030 10 5 CDBEMO C[C@@H]1C[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000408472955 274334321 /nfs/dbraw/zinc/33/43/21/274334321.db2.gz XYGLUDFCDCTBIF-MRVPVSSYSA-N 1 1 254.265 1.269 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000408472955 274334322 /nfs/dbraw/zinc/33/43/22/274334322.db2.gz XYGLUDFCDCTBIF-MRVPVSSYSA-N 1 1 254.265 1.269 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000450455897 275036300 /nfs/dbraw/zinc/03/63/00/275036300.db2.gz OYQCLPCCXPKHLC-ZDUSSCGKSA-N 1 1 292.339 1.291 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000302416197 281259949 /nfs/dbraw/zinc/25/99/49/281259949.db2.gz MGWMFBHOCWOXJO-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000302416197 281259951 /nfs/dbraw/zinc/25/99/51/281259951.db2.gz MGWMFBHOCWOXJO-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO [NH3+]CC(F)(F)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000579726772 324267393 /nfs/dbraw/zinc/26/73/93/324267393.db2.gz VGQZOOVTXVLFGT-UHFFFAOYSA-N 1 1 273.239 1.195 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1ccc([N+](=O)[O-])cc1 ZINC000062541083 521257745 /nfs/dbraw/zinc/25/77/45/521257745.db2.gz KANGDOSZOUCJSB-LLVKDONJSA-N 1 1 268.269 1.254 10 5 CDBEMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000050704289 521717432 /nfs/dbraw/zinc/71/74/32/521717432.db2.gz UVBWHWVFEVPPHG-SNVBAGLBSA-N 1 1 292.339 1.249 10 5 CDBEMO C[N@H+](Cc1ccc(N)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000050815879 523262954 /nfs/dbraw/zinc/26/29/54/523262954.db2.gz KJVOPVDRGCCMDE-NSHDSACASA-N 1 1 265.313 1.788 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1CCCO ZINC000052763196 527504008 /nfs/dbraw/zinc/50/40/08/527504008.db2.gz QDLMGUVLOGILPB-LBPRGKRZSA-N 1 1 279.340 1.914 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000305809368 536767316 /nfs/dbraw/zinc/76/73/16/536767316.db2.gz HHWUXDDZRHTZGG-NSHDSACASA-N 1 1 266.297 1.418 10 5 CDBEMO Cc1cc(F)cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000758471539 577110238 /nfs/dbraw/zinc/11/02/38/577110238.db2.gz HDGMDVCAMZTNJK-NSHDSACASA-N 1 1 295.314 1.866 10 5 CDBEMO C[C@@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CC[N@H+]1C 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C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000182216027 357422122 /nfs/dbraw/zinc/42/21/22/357422122.db2.gz DLWDFCGNDYSPBC-LBPRGKRZSA-N 1 1 280.324 1.676 10 5 CDBEMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000190011287 358048744 /nfs/dbraw/zinc/04/87/44/358048744.db2.gz FUYUHMSNIOSGLJ-CYBMUJFWSA-N 1 1 280.324 1.333 10 5 CDBEMO CC(C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341566918 358661751 /nfs/dbraw/zinc/66/17/51/358661751.db2.gz QEUMRBDJJJIXEC-LBPRGKRZSA-N 1 1 279.340 1.734 10 5 CDBEMO C[C@]12CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]1C2(F)F ZINC000298187852 200355704 /nfs/dbraw/zinc/35/57/04/200355704.db2.gz AWRSWFXMAWEWJY-KOLCDFICSA-N 1 1 286.282 1.768 10 5 CDBEMO COC[C@H](C)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000514779190 360225424 /nfs/dbraw/zinc/22/54/24/360225424.db2.gz AEHSUDOHPKJWOM-LLVKDONJSA-N 1 1 280.324 1.940 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2C)n1 ZINC000178185647 189096336 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O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000377727762 374616496 /nfs/dbraw/zinc/61/64/96/374616496.db2.gz VAASIEGSDHPPNG-RAIGVLPGSA-N 1 1 280.328 1.027 10 5 CDBEMO O=C(c1csc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000049516040 375454065 /nfs/dbraw/zinc/45/40/65/375454065.db2.gz QPGJKYVXCLBRQM-SNVBAGLBSA-N 1 1 281.337 1.577 10 5 CDBEMO Cc1cc(N2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000450951327 390581645 /nfs/dbraw/zinc/58/16/45/390581645.db2.gz FTDLQQWEIMNNOX-LBPRGKRZSA-N 1 1 279.340 1.406 10 5 CDBEMO COc1ccc(CN[C@H]2C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358014251 391941343 /nfs/dbraw/zinc/94/13/43/391941343.db2.gz BWBWSSRCCTXVJY-JQWIXIFHSA-N 1 1 279.340 1.643 10 5 CDBEMO COc1ccc(CN[C@H]2C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358014251 391941348 /nfs/dbraw/zinc/94/13/48/391941348.db2.gz BWBWSSRCCTXVJY-JQWIXIFHSA-N 1 1 279.340 1.643 10 5 CDBEMO COCC[C@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347785889 392241592 /nfs/dbraw/zinc/24/15/92/392241592.db2.gz OMPDQXKMSYRBGA-JTQLQIEISA-N 1 1 265.313 1.773 10 5 CDBEMO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCO ZINC000442963245 392512537 /nfs/dbraw/zinc/51/25/37/392512537.db2.gz LNMNUCVXWWVPFJ-DAXSKMNVSA-N 1 1 250.298 1.922 10 5 CDBEMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000420970875 392922398 /nfs/dbraw/zinc/92/23/98/392922398.db2.gz HEZIPDCWBFKFQH-JTQLQIEISA-N 1 1 293.323 1.171 10 5 CDBEMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420981296 392924225 /nfs/dbraw/zinc/92/42/25/392924225.db2.gz VYIGUTJKXUIBRO-SNVBAGLBSA-N 1 1 297.742 1.816 10 5 CDBEMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@]12CCOC2 ZINC000421030641 392927729 /nfs/dbraw/zinc/92/77/29/392927729.db2.gz YWRAOXXBGHYTLC-CQSZACIVSA-N 1 1 278.308 1.838 10 5 CDBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@]12CCOC2 ZINC000421030641 392927732 /nfs/dbraw/zinc/92/77/32/392927732.db2.gz YWRAOXXBGHYTLC-CQSZACIVSA-N 1 1 278.308 1.838 10 5 CDBEMO CC(C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000421409774 392935099 /nfs/dbraw/zinc/93/50/99/392935099.db2.gz NNOVCBLDWGQIQG-BRLPQQTGSA-N 1 1 294.351 1.672 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCO ZINC000281939190 393163446 /nfs/dbraw/zinc/16/34/46/393163446.db2.gz SZOCSHWCXLFKDZ-UHFFFAOYSA-N 1 1 295.339 1.546 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000246986261 140284431 /nfs/dbraw/zinc/28/44/31/140284431.db2.gz SMURERFYQABDTB-OLZOCXBDSA-N 1 1 280.328 1.435 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000246986261 140284432 /nfs/dbraw/zinc/28/44/32/140284432.db2.gz SMURERFYQABDTB-OLZOCXBDSA-N 1 1 280.328 1.435 10 5 CDBEMO COCC[N@@H+](C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359109665 158128455 /nfs/dbraw/zinc/12/84/55/158128455.db2.gz PMWIYCXULYSCTI-UHFFFAOYSA-N 1 1 282.344 1.597 10 5 CDBEMO O=C(C[NH+]1CCCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000037332621 173133823 /nfs/dbraw/zinc/13/38/23/173133823.db2.gz VHEYBWFBOOSJSR-UHFFFAOYSA-N 1 1 251.286 1.982 10 5 CDBEMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000044725678 175238046 /nfs/dbraw/zinc/23/80/46/175238046.db2.gz BKLMEJHLYBJWNX-SNVBAGLBSA-N 1 1 293.298 1.700 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C)CC2)c1 ZINC000136290197 274004244 /nfs/dbraw/zinc/00/42/44/274004244.db2.gz NLDPMGKOWQEGRG-UHFFFAOYSA-N 1 1 279.296 1.133 10 5 CDBEMO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@H+](CCO)CC1 ZINC000071349645 275033332 /nfs/dbraw/zinc/03/33/32/275033332.db2.gz ZWAWLQKMOSCOPZ-UHFFFAOYSA-N 1 1 299.758 1.753 10 5 CDBEMO O=[N+]([O-])c1cccc2ncnc(N3CC[N@H+]4CCC[C@H]4C3)c21 ZINC000408193147 275039651 /nfs/dbraw/zinc/03/96/51/275039651.db2.gz BHDGBBLCINYBAM-NSHDSACASA-N 1 1 299.334 1.822 10 5 CDBEMO CN(c1ncc([N+](=O)[O-])s1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000443511184 277004450 /nfs/dbraw/zinc/00/44/50/277004450.db2.gz PJBNDGYWVBKAJJ-VIFPVBQESA-N 1 1 268.342 1.724 10 5 CDBEMO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000069141926 278281608 /nfs/dbraw/zinc/28/16/08/278281608.db2.gz CDCXRJDCCQUJKL-QWRGUYRKSA-N 1 1 298.364 1.823 10 5 CDBEMO COC(=O)CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153220793 289161325 /nfs/dbraw/zinc/16/13/25/289161325.db2.gz KOWVGPATOBUEPR-UHFFFAOYSA-N 1 1 278.308 1.906 10 5 CDBEMO COC(=O)CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153220793 289161327 /nfs/dbraw/zinc/16/13/27/289161327.db2.gz KOWVGPATOBUEPR-UHFFFAOYSA-N 1 1 278.308 1.906 10 5 CDBEMO C[N@@H+](CCNC(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCCC1 ZINC000554863716 290195316 /nfs/dbraw/zinc/19/53/16/290195316.db2.gz WDDVHXVUSORRJY-UHFFFAOYSA-N 1 1 295.343 1.312 10 5 CDBEMO Cc1c(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000571223300 294392866 /nfs/dbraw/zinc/39/28/66/294392866.db2.gz CCBYAMUITWUKQJ-LLVKDONJSA-N 1 1 291.351 1.861 10 5 CDBEMO CCNc1ccc(C[N@@H+](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000050818008 520301317 /nfs/dbraw/zinc/30/13/17/520301317.db2.gz RLMPYMGHKXLULS-UHFFFAOYSA-N 1 1 279.340 1.983 10 5 CDBEMO CC[N@@H+](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)C(C)C ZINC000338721123 521085688 /nfs/dbraw/zinc/08/56/88/521085688.db2.gz OHYARKWTRFIGNK-UHFFFAOYSA-N 1 1 295.343 1.231 10 5 CDBEMO COC[C@@H]1CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000339290979 522484793 /nfs/dbraw/zinc/48/47/93/522484793.db2.gz QNBHMLGZSWGGKD-STQMWFEESA-N 1 1 296.323 1.055 10 5 CDBEMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187668356 524620020 /nfs/dbraw/zinc/62/00/20/524620020.db2.gz NHFPQFYGHSAOMA-LBPRGKRZSA-N 1 1 279.340 1.093 10 5 CDBEMO [NH3+]Cc1nnc(-c2cc(F)c(F)cc2[N+](=O)[O-])o1 ZINC000050283517 527266640 /nfs/dbraw/zinc/26/66/40/527266640.db2.gz VKCPKDFSVNEPDN-UHFFFAOYSA-N 1 1 256.168 1.382 10 5 CDBEMO Nc1ccc(C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000050816567 527482695 /nfs/dbraw/zinc/48/26/95/527482695.db2.gz XGGSCNOCDLVVBE-JTQLQIEISA-N 1 1 251.286 1.134 10 5 CDBEMO C[C@H]1CCC[N@H+]1CCNc1ccncc1[N+](=O)[O-] ZINC000742427831 576602709 /nfs/dbraw/zinc/60/27/09/576602709.db2.gz QXLDJBXGKZMYLE-JTQLQIEISA-N 1 1 250.302 1.308 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756881677 577012618 /nfs/dbraw/zinc/01/26/18/577012618.db2.gz GTOLNLOFERFBJY-WDEREUQCSA-N 1 1 266.301 1.250 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756881677 577012620 /nfs/dbraw/zinc/01/26/20/577012620.db2.gz GTOLNLOFERFBJY-WDEREUQCSA-N 1 1 266.301 1.250 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCc2nccc(Br)c2C1 ZINC000930824764 617542835 /nfs/dbraw/zinc/54/28/35/617542835.db2.gz IPZAAXDCJUGWHC-UHFFFAOYSA-N 1 1 286.129 1.479 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CCc2nccc(Br)c2C1 ZINC000930824764 617542836 /nfs/dbraw/zinc/54/28/36/617542836.db2.gz IPZAAXDCJUGWHC-UHFFFAOYSA-N 1 1 286.129 1.479 10 5 CDBEMO Cc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000903965176 626171850 /nfs/dbraw/zinc/17/18/50/626171850.db2.gz ZALNMUHIXZKHAJ-YPMHNXCESA-N 1 1 263.341 1.848 10 5 CDBEMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000815165798 685561209 /nfs/dbraw/zinc/56/12/09/685561209.db2.gz WKQGTICASYBDQG-BREBYQMCSA-N 1 1 250.298 1.968 10 5 CDBEMO Cc1cnc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866206896 684307822 /nfs/dbraw/zinc/30/78/22/684307822.db2.gz UNMZOVPBDQBZLZ-RYUDHWBXSA-N 1 1 276.340 1.829 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866207697 684689628 /nfs/dbraw/zinc/68/96/28/684689628.db2.gz FRWAMGDBFBYKGE-UWVGGRQHSA-N 1 1 278.312 1.226 10 5 CDBEMO C[C@@H](NCC[N@@H+]1CC[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089755 684744541 /nfs/dbraw/zinc/74/45/41/684744541.db2.gz DLOGOQBJFJKHGT-MNOVXSKESA-N 1 1 297.330 1.451 10 5 CDBEMO C[C@@H](NCC[N@H+]1CC[C@H](O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089755 684744546 /nfs/dbraw/zinc/74/45/46/684744546.db2.gz DLOGOQBJFJKHGT-MNOVXSKESA-N 1 1 297.330 1.451 10 5 CDBEMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000246260615 686069766 /nfs/dbraw/zinc/06/97/66/686069766.db2.gz LBJWGLPJSICYFC-ZIAGYGMSSA-N 1 1 280.324 1.739 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](CO)C1 ZINC000051887725 686822424 /nfs/dbraw/zinc/82/24/24/686822424.db2.gz UAKSGOBTPWMBQB-SECBINFHSA-N 1 1 254.261 1.548 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000051887725 686822426 /nfs/dbraw/zinc/82/24/26/686822426.db2.gz UAKSGOBTPWMBQB-SECBINFHSA-N 1 1 254.261 1.548 10 5 CDBEMO Cc1ccc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000862545397 687089951 /nfs/dbraw/zinc/08/99/51/687089951.db2.gz RMBPTWMTKDFEEL-VXGBXAGGSA-N 1 1 276.292 1.508 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000931708010 687120251 /nfs/dbraw/zinc/12/02/51/687120251.db2.gz VCLIDSNUBVHTCN-CYBMUJFWSA-N 1 1 256.346 1.792 10 5 CDBEMO CCc1ccc(C[NH+]2CCN(CC[N+](=O)[O-])CC2)s1 ZINC000929685653 687140048 /nfs/dbraw/zinc/14/00/48/687140048.db2.gz QEEONVPEGPIPKK-UHFFFAOYSA-N 1 1 283.397 1.705 10 5 CDBEMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000815165800 687842404 /nfs/dbraw/zinc/84/24/04/687842404.db2.gz WKQGTICASYBDQG-GBIKHYSHSA-N 1 1 250.298 1.968 10 5 CDBEMO COc1ccc(OC)c([C@@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000930186439 688081462 /nfs/dbraw/zinc/08/14/62/688081462.db2.gz XXILKLTZBMRHSR-SECBINFHSA-N 1 1 254.286 1.631 10 5 CDBEMO C[NH+]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001618387168 1165630762 /nfs/dbraw/zinc/63/07/62/1165630762.db2.gz PEKAQIXBAMBJRA-UHFFFAOYSA-N 1 1 297.742 1.565 10 5 CDBEMO CCN(C#N)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001644144064 1167296506 /nfs/dbraw/zinc/29/65/06/1167296506.db2.gz DGBQDXDMCJFGSR-AWEZNQCLSA-N 1 1 292.339 1.195 10 5 CDBEMO Cc1c(C[NH2+]Cc2cnccn2)cccc1[N+](=O)[O-] ZINC000231884146 1178180898 /nfs/dbraw/zinc/18/08/98/1178180898.db2.gz GWZQPCBUCVNKHJ-UHFFFAOYSA-N 1 1 258.281 1.983 10 5 CDBEMO C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCCCC1 ZINC001731239673 1182268138 /nfs/dbraw/zinc/26/81/38/1182268138.db2.gz DPWBOMREFJGJTM-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO C[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCCC1 ZINC001731239673 1182268144 /nfs/dbraw/zinc/26/81/44/1182268144.db2.gz DPWBOMREFJGJTM-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO C[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCCC1 ZINC001731239673 1182268151 /nfs/dbraw/zinc/26/81/51/1182268151.db2.gz DPWBOMREFJGJTM-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO O=C(NCC[N@@H+](CC1CCCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731875399 1182643278 /nfs/dbraw/zinc/64/32/78/1182643278.db2.gz NVKRDPQGNVMUBH-ZIAGYGMSSA-N 1 1 295.383 1.422 10 5 CDBEMO O=C(NCC[N@H+](CC1CCCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001731875399 1182643283 /nfs/dbraw/zinc/64/32/83/1182643283.db2.gz NVKRDPQGNVMUBH-ZIAGYGMSSA-N 1 1 295.383 1.422 10 5 CDBEMO O=C(NCC[N@@H+](CC1CCCC1)C1CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001731875399 1182643288 /nfs/dbraw/zinc/64/32/88/1182643288.db2.gz NVKRDPQGNVMUBH-ZIAGYGMSSA-N 1 1 295.383 1.422 10 5 CDBEMO CC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC001642790893 1167197319 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10 5 CDBEMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000282506710 375090405 /nfs/dbraw/zinc/09/04/05/375090405.db2.gz RNVCEMLQIBOASC-LLVKDONJSA-N 1 1 292.257 1.992 10 5 CDBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000282506710 375090408 /nfs/dbraw/zinc/09/04/08/375090408.db2.gz RNVCEMLQIBOASC-LLVKDONJSA-N 1 1 292.257 1.992 10 5 CDBEMO Cc1n[nH]c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000299514348 375051335 /nfs/dbraw/zinc/05/13/35/375051335.db2.gz HGOZQUDKPPZOGG-SECBINFHSA-N 1 1 295.343 1.231 10 5 CDBEMO CN1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1=O ZINC000263722260 190075611 /nfs/dbraw/zinc/07/56/11/190075611.db2.gz KGEOLEBMJCHHGR-VIFPVBQESA-N 1 1 283.715 1.569 10 5 CDBEMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCOC1 ZINC000291712372 391051873 /nfs/dbraw/zinc/05/18/73/391051873.db2.gz IQLARIZLIXBDEV-NSHDSACASA-N 1 1 268.317 1.291 10 5 CDBEMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000408311223 391904525 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CC(C)C[C@@H](CO)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000185336264 140037676 /nfs/dbraw/zinc/03/76/76/140037676.db2.gz XOZZOLXGDKPWCK-ZDUSSCGKSA-N 1 1 297.355 1.095 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195316043 140154596 /nfs/dbraw/zinc/15/45/96/140154596.db2.gz JEPGRPOWUUWVDJ-SECBINFHSA-N 1 1 281.337 1.577 10 5 CDBEMO C[N@@H+]1CCCC[C@H]1CNCc1ccc([N+](=O)[O-])o1 ZINC000044561084 175204968 /nfs/dbraw/zinc/20/49/68/175204968.db2.gz OLVJCIMKRHEFAO-JTQLQIEISA-N 1 1 253.302 1.762 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNCc1ccc([N+](=O)[O-])o1 ZINC000044561084 175204970 /nfs/dbraw/zinc/20/49/70/175204970.db2.gz OLVJCIMKRHEFAO-JTQLQIEISA-N 1 1 253.302 1.762 10 5 CDBEMO O=[N+]([O-])c1c(N2CC[N@H+]3CCC[C@H]3C2)nc2sccn21 ZINC000248892598 275032660 /nfs/dbraw/zinc/03/26/60/275032660.db2.gz DXWSBRVFERFYAS-VIFPVBQESA-N 1 1 293.352 1.588 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000194834265 280059013 /nfs/dbraw/zinc/05/90/13/280059013.db2.gz PTTDJZVVBYTWSO-GFCCVEGCSA-N 1 1 277.324 1.727 10 5 CDBEMO COCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153391732 289167681 /nfs/dbraw/zinc/16/76/81/289167681.db2.gz CPHLDVWLQIIQHH-UHFFFAOYSA-N 1 1 250.298 1.989 10 5 CDBEMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183341771 323331736 /nfs/dbraw/zinc/33/17/36/323331736.db2.gz NPSVFWMOPMLZDO-CYBMUJFWSA-N 1 1 291.351 1.861 10 5 CDBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)COC ZINC000050817906 520329301 /nfs/dbraw/zinc/32/93/01/520329301.db2.gz SGFHITZNPUVFTM-ZDUSSCGKSA-N 1 1 297.355 1.466 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCOc1cc([N+](=O)[O-])ccc1OC ZINC000062540394 521072533 /nfs/dbraw/zinc/07/25/33/521072533.db2.gz PNDBWJCZQRYSEA-JTQLQIEISA-N 1 1 298.295 1.263 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000062540206 521258707 /nfs/dbraw/zinc/25/87/07/521258707.db2.gz XBQVOHPCOBYIGF-SECBINFHSA-N 1 1 286.259 1.393 10 5 CDBEMO COCC[C@H]([NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052785430 521951237 /nfs/dbraw/zinc/95/12/37/521951237.db2.gz MVZXFHSBXJIKEB-JTQLQIEISA-N 1 1 278.268 1.681 10 5 CDBEMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2N)C1 ZINC000052841303 523815151 /nfs/dbraw/zinc/81/51/51/523815151.db2.gz FBNCKFOTAWFXKI-JTQLQIEISA-N 1 1 264.329 1.931 10 5 CDBEMO O=[N+]([O-])c1ccc(CCn2nnnc2C[NH2+]C2CC2)cc1 ZINC000054746947 527347631 /nfs/dbraw/zinc/34/76/31/527347631.db2.gz KVSTWYFBPCTJBL-UHFFFAOYSA-N 1 1 288.311 1.076 10 5 CDBEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183630476 535578740 /nfs/dbraw/zinc/57/87/40/535578740.db2.gz XDHXGMLUEWKSKF-JTQLQIEISA-N 1 1 293.327 1.596 10 5 CDBEMO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000761089835 576546330 /nfs/dbraw/zinc/54/63/30/576546330.db2.gz GUFVOCWPPQLRJD-RISCZKNCSA-N 1 1 287.319 1.578 10 5 CDBEMO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000761089835 576546332 /nfs/dbraw/zinc/54/63/32/576546332.db2.gz GUFVOCWPPQLRJD-RISCZKNCSA-N 1 1 287.319 1.578 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000747473414 576871998 /nfs/dbraw/zinc/87/19/98/576871998.db2.gz TVJNSNFSQVYKRU-CYBMUJFWSA-N 1 1 280.328 1.641 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000747473414 576871999 /nfs/dbraw/zinc/87/19/99/576871999.db2.gz TVJNSNFSQVYKRU-CYBMUJFWSA-N 1 1 280.328 1.641 10 5 CDBEMO CON1CC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1=O ZINC000905764157 626969207 /nfs/dbraw/zinc/96/92/07/626969207.db2.gz VLVGBPHWKCTGCR-ONGXEEELSA-N 1 1 279.296 1.408 10 5 CDBEMO C[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817970172 693997194 /nfs/dbraw/zinc/99/71/94/693997194.db2.gz NBKUSWUZIRNBNU-OUJBWJOFSA-N 1 1 278.356 1.826 10 5 CDBEMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703519662 694075837 /nfs/dbraw/zinc/07/58/37/694075837.db2.gz HQPDXVYTAREONY-AOOOYVTPSA-N 1 1 297.742 1.944 10 5 CDBEMO CCn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000845818965 688672432 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CDBEMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923411616 693341555 /nfs/dbraw/zinc/34/15/55/693341555.db2.gz OBNIEBFWRCKSNX-MPKXVKKWSA-N 1 1 279.340 1.155 10 5 CDBEMO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923411616 693341561 /nfs/dbraw/zinc/34/15/61/693341561.db2.gz OBNIEBFWRCKSNX-MPKXVKKWSA-N 1 1 279.340 1.155 10 5 CDBEMO COC[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872069275 693441598 /nfs/dbraw/zinc/44/15/98/693441598.db2.gz OICYVYHJIHEVIN-IUCAKERBSA-N 1 1 272.276 1.392 10 5 CDBEMO O=C1OC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000860157878 694747845 /nfs/dbraw/zinc/74/78/45/694747845.db2.gz GDJRXOTWUSEBFI-ZWNOBZJWSA-N 1 1 292.291 1.078 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000712616994 694777230 /nfs/dbraw/zinc/77/72/30/694777230.db2.gz SVPFFLDYFYMKBJ-JTQLQIEISA-N 1 1 250.302 1.804 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000840118347 695062765 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CN(Cc1cc([N+](=O)[O-])ccc1NN)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191167 176070090 /nfs/dbraw/zinc/07/00/90/176070090.db2.gz VWPIEYBCLSYUFM-LLVKDONJSA-N 1 1 293.371 1.264 10 5 CDBEMO C[N@H+]1CCO[C@@H]2CN(c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000301640634 277124907 /nfs/dbraw/zinc/12/49/07/277124907.db2.gz GLGWSNRYAAAUJV-CHWSQXEVSA-N 1 1 263.297 1.114 10 5 CDBEMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@H+]1C ZINC000525029525 281115178 /nfs/dbraw/zinc/11/51/78/281115178.db2.gz HEPLYJAIFZNUNL-QWRGUYRKSA-N 1 1 294.355 1.488 10 5 CDBEMO CCCC[N@H+](CC(N)=O)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815737 520452198 /nfs/dbraw/zinc/45/21/98/520452198.db2.gz KSWUYBRQSDDFQW-UHFFFAOYSA-N 1 1 280.328 1.264 10 5 CDBEMO CCCC[N@@H+](CC(N)=O)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815737 520452205 /nfs/dbraw/zinc/45/22/05/520452205.db2.gz KSWUYBRQSDDFQW-UHFFFAOYSA-N 1 1 280.328 1.264 10 5 CDBEMO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187695623 525015239 /nfs/dbraw/zinc/01/52/39/525015239.db2.gz HQJZUWSUWTWATK-GFCCVEGCSA-N 1 1 279.340 1.093 10 5 CDBEMO Cc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000061320348 526039476 /nfs/dbraw/zinc/03/94/76/526039476.db2.gz WOQKJJKIXJNJKV-UHFFFAOYSA-N 1 1 258.281 1.983 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1CCO ZINC000050792868 527504246 /nfs/dbraw/zinc/50/42/46/527504246.db2.gz XERBQJJYZANXGQ-GFCCVEGCSA-N 1 1 279.340 1.914 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000896915057 620306587 /nfs/dbraw/zinc/30/65/87/620306587.db2.gz VJSRFTBXMLHQDQ-RISCZKNCSA-N 1 1 276.340 1.686 10 5 CDBEMO COC[C@@H](CCO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038238 695300298 /nfs/dbraw/zinc/30/02/98/695300298.db2.gz MAVAKVHAXVIRHK-NXEZZACHSA-N 1 1 286.303 1.782 10 5 CDBEMO Cn1cc(C[NH+]2CCC(c3ncco3)CC2)c([N+](=O)[O-])n1 ZINC000931443340 695426479 /nfs/dbraw/zinc/42/64/79/695426479.db2.gz SUGPMGIHHNMABG-UHFFFAOYSA-N 1 1 291.311 1.696 10 5 CDBEMO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000825654601 695465892 /nfs/dbraw/zinc/46/58/92/695465892.db2.gz AATICVWKCWIFJC-GFCCVEGCSA-N 1 1 277.324 1.614 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844437016 695800222 /nfs/dbraw/zinc/80/02/22/695800222.db2.gz KMNGJYYLAUMXGG-NSHDSACASA-N 1 1 286.282 1.913 10 5 CDBEMO C[C@@H]1CC[N@H+](CC[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000930809945 695895501 /nfs/dbraw/zinc/89/55/01/695895501.db2.gz MIQIZTARCGBGTA-GHMZBOCLSA-N 1 1 272.345 1.563 10 5 CDBEMO C[C@@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000930809945 695895503 /nfs/dbraw/zinc/89/55/03/695895503.db2.gz MIQIZTARCGBGTA-GHMZBOCLSA-N 1 1 272.345 1.563 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832783169 695975286 /nfs/dbraw/zinc/97/52/86/695975286.db2.gz OHDCZEKIWWOYCL-NSHDSACASA-N 1 1 297.330 1.232 10 5 CDBEMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])n[nH]2)C1 ZINC001644679741 1167336254 /nfs/dbraw/zinc/33/62/54/1167336254.db2.gz RWHNWGXAMBMOAR-SECBINFHSA-N 1 1 281.316 1.378 10 5 CDBEMO O=[N+]([O-])CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC001653154127 1171512470 /nfs/dbraw/zinc/51/24/70/1171512470.db2.gz IPZXLUSXVURJQP-QWRGUYRKSA-N 1 1 260.359 1.250 10 5 CDBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C(C)(C)O ZINC001653400132 1171541165 /nfs/dbraw/zinc/54/11/65/1171541165.db2.gz MKPZQNGDVFIRFE-ZDUSSCGKSA-N 1 1 282.340 1.201 10 5 CDBEMO CC[N@@H+](CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1)C(C)C ZINC001585183528 1172882074 /nfs/dbraw/zinc/88/20/74/1172882074.db2.gz NHAHHEDTSBYHPH-UHFFFAOYSA-N 1 1 295.343 1.032 10 5 CDBEMO O=C(N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001713192495 1178423435 /nfs/dbraw/zinc/42/34/35/1178423435.db2.gz NOKLNXDVLYGSEQ-XJFOESAGSA-N 1 1 295.383 1.469 10 5 CDBEMO C[N@H+](CCNC(=O)CCCF)Cc1ccccc1[N+](=O)[O-] ZINC001714558805 1179213483 /nfs/dbraw/zinc/21/34/83/1179213483.db2.gz ZZFGRBNKGGHQMI-UHFFFAOYSA-N 1 1 297.330 1.893 10 5 CDBEMO C[N@@H+](CCNC(=O)CCCF)Cc1ccccc1[N+](=O)[O-] ZINC001714558805 1179213488 /nfs/dbraw/zinc/21/34/88/1179213488.db2.gz ZZFGRBNKGGHQMI-UHFFFAOYSA-N 1 1 297.330 1.893 10 5 CDBEMO COC[C@@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000716974131 723702615 /nfs/dbraw/zinc/70/26/15/723702615.db2.gz XBYYSVLHSMIKKO-GFCCVEGCSA-N 1 1 288.731 1.735 10 5 CDBEMO Cc1ccc(CN[C@@H]2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000722303535 723754205 /nfs/dbraw/zinc/75/42/05/723754205.db2.gz BDPCCIPSPFJALS-DGCLKSJQSA-N 1 1 263.341 1.943 10 5 CDBEMO Cc1ccc(CN[C@@H]2C[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000722303535 723754206 /nfs/dbraw/zinc/75/42/06/723754206.db2.gz BDPCCIPSPFJALS-DGCLKSJQSA-N 1 1 263.341 1.943 10 5 CDBEMO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796575452 724629376 /nfs/dbraw/zinc/62/93/76/724629376.db2.gz PBGJXCVLMQVXLN-ZWNOBZJWSA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796575452 724629378 /nfs/dbraw/zinc/62/93/78/724629378.db2.gz PBGJXCVLMQVXLN-ZWNOBZJWSA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@@H]([NH2+]C/C=C\CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872086190 724710615 /nfs/dbraw/zinc/71/06/15/724710615.db2.gz VBPZZXGBJVDAQZ-PKRMOACSSA-N 1 1 254.261 1.933 10 5 CDBEMO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923411620 723701928 /nfs/dbraw/zinc/70/19/28/723701928.db2.gz OBNIEBFWRCKSNX-QKCSRTOESA-N 1 1 279.340 1.155 10 5 CDBEMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1CCO ZINC000801546410 723899192 /nfs/dbraw/zinc/89/91/92/723899192.db2.gz LEDHQCHFFCYPDY-LLVKDONJSA-N 1 1 297.330 1.232 10 5 CDBEMO Cc1nn(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247080277 724026239 /nfs/dbraw/zinc/02/62/39/724026239.db2.gz NHIKMGHONCNMKI-MFKMUULPSA-N 1 1 293.371 1.534 10 5 CDBEMO C[C@H]1[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1C ZINC000719628397 725309144 /nfs/dbraw/zinc/30/91/44/725309144.db2.gz YRRDBVZVYVOCTM-JGVFFNPUSA-N 1 1 281.341 1.809 10 5 CDBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000826653404 725417652 /nfs/dbraw/zinc/41/76/52/725417652.db2.gz DMGFPJBWQLYWHY-BFHYXJOUSA-N 1 1 295.383 1.565 10 5 CDBEMO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000826653404 725417653 /nfs/dbraw/zinc/41/76/53/725417653.db2.gz DMGFPJBWQLYWHY-BFHYXJOUSA-N 1 1 295.383 1.565 10 5 CDBEMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000826653404 725417654 /nfs/dbraw/zinc/41/76/54/725417654.db2.gz DMGFPJBWQLYWHY-BFHYXJOUSA-N 1 1 295.383 1.565 10 5 CDBEMO CN1CC(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000853556201 725435144 /nfs/dbraw/zinc/43/51/44/725435144.db2.gz ZJOWODOUTKTOPM-UHFFFAOYSA-N 1 1 289.339 1.395 10 5 CDBEMO CN1CC(C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000853556201 725435146 /nfs/dbraw/zinc/43/51/46/725435146.db2.gz ZJOWODOUTKTOPM-UHFFFAOYSA-N 1 1 289.339 1.395 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000931411040 725994244 /nfs/dbraw/zinc/99/42/44/725994244.db2.gz MKDMEAKURJCEQN-BXUZGUMPSA-N 1 1 279.340 1.264 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000931411040 725994247 /nfs/dbraw/zinc/99/42/47/725994247.db2.gz MKDMEAKURJCEQN-BXUZGUMPSA-N 1 1 279.340 1.264 10 5 CDBEMO CCCC(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001567822827 1168995534 /nfs/dbraw/zinc/99/55/34/1168995534.db2.gz SMQFZUONSPWYIA-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+]1C ZINC001294200892 916231337 /nfs/dbraw/zinc/23/13/37/916231337.db2.gz AWGAFNMRIFBVBD-ZJUUUORDSA-N 1 1 292.339 1.390 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)[C@H]2C1 ZINC000854600549 928243490 /nfs/dbraw/zinc/24/34/90/928243490.db2.gz YATHIUUYJKZPGA-RNCFNFMXSA-N 1 1 293.298 1.510 10 5 CDBEMO Cc1nc(N2CC[N@H+](C)C(C)(C)CC2)ncc1[N+](=O)[O-] ZINC001329741554 940974461 /nfs/dbraw/zinc/97/44/61/940974461.db2.gz UQMRCNDYQFLWHE-UHFFFAOYSA-N 1 1 279.344 1.614 10 5 CDBEMO CC[N@@H+](CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)C1CC1 ZINC001323947803 961068102 /nfs/dbraw/zinc/06/81/02/961068102.db2.gz BOJZNXCARYTMSE-UHFFFAOYSA-N 1 1 294.355 1.566 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+](C(C)C)CC2)n1 ZINC001543057590 967262501 /nfs/dbraw/zinc/26/25/01/967262501.db2.gz BKJPGNJIDNUOGR-UHFFFAOYSA-N 1 1 292.339 1.464 10 5 CDBEMO CC[N@@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC001458717907 969340087 /nfs/dbraw/zinc/34/00/87/969340087.db2.gz JETDZSUPHZZPHE-JTQLQIEISA-N 1 1 265.317 1.224 10 5 CDBEMO CCCCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])CC(N)=O ZINC001459800339 969450913 /nfs/dbraw/zinc/45/09/13/969450913.db2.gz ZAUSVALHFSCRHB-UHFFFAOYSA-N 1 1 297.359 1.077 10 5 CDBEMO O=C(NCC1([NH2+]CC2=CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001499221668 974216144 /nfs/dbraw/zinc/21/61/44/974216144.db2.gz RKQVNJNRMKRATK-CHWSQXEVSA-N 1 1 293.367 1.390 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000601147701 342482111 /nfs/dbraw/zinc/48/21/11/342482111.db2.gz WIROGHPXFRTUOL-SECBINFHSA-N 1 1 277.259 1.752 10 5 CDBEMO C[N@H+]1CCc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2C1 ZINC000082807661 178310124 /nfs/dbraw/zinc/31/01/24/178310124.db2.gz SUQRDOOLWVRKGO-UHFFFAOYSA-N 1 1 258.281 1.973 10 5 CDBEMO O=[N+]([O-])c1cc(C[NH2+]C2COCCOC2)cs1 ZINC000310569772 342127739 /nfs/dbraw/zinc/12/77/39/342127739.db2.gz NOMLNFMSNVMKRD-UHFFFAOYSA-N 1 1 258.299 1.161 10 5 CDBEMO C[NH2+]C[C@@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725623 342829396 /nfs/dbraw/zinc/82/93/96/342829396.db2.gz STYNDVMENLCTFY-NSHDSACASA-N 1 1 279.340 1.732 10 5 CDBEMO O=[N+]([O-])c1cnccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594597035 342923810 /nfs/dbraw/zinc/92/38/10/342923810.db2.gz CDGXUJPDCVDRBW-WCQYABFASA-N 1 1 276.340 1.841 10 5 CDBEMO Cc1noc(C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595447855 343053885 /nfs/dbraw/zinc/05/38/85/343053885.db2.gz GCRKKVHKOGDMRX-TVQRCGJNSA-N 1 1 283.328 1.874 10 5 CDBEMO Cc1noc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595447855 343053886 /nfs/dbraw/zinc/05/38/86/343053886.db2.gz GCRKKVHKOGDMRX-TVQRCGJNSA-N 1 1 283.328 1.874 10 5 CDBEMO Cc1noc(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595447856 343053954 /nfs/dbraw/zinc/05/39/54/343053954.db2.gz GCRKKVHKOGDMRX-ZANVPECISA-N 1 1 283.328 1.874 10 5 CDBEMO Cc1noc(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595447856 343053956 /nfs/dbraw/zinc/05/39/56/343053956.db2.gz GCRKKVHKOGDMRX-ZANVPECISA-N 1 1 283.328 1.874 10 5 CDBEMO CNC(=O)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595416224 343054705 /nfs/dbraw/zinc/05/47/05/343054705.db2.gz HIRQZHCDLDTYBP-LBPRGKRZSA-N 1 1 283.303 1.594 10 5 CDBEMO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595466295 343071687 /nfs/dbraw/zinc/07/16/87/343071687.db2.gz KAVGGZJQFBLIRD-ZWNOBZJWSA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595466295 343071689 /nfs/dbraw/zinc/07/16/89/343071689.db2.gz KAVGGZJQFBLIRD-ZWNOBZJWSA-N 1 1 298.314 1.706 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000597944974 343674985 /nfs/dbraw/zinc/67/49/85/343674985.db2.gz FRHDGGJXKIVTDK-LLVKDONJSA-N 1 1 295.314 1.900 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000598043878 343704570 /nfs/dbraw/zinc/70/45/70/343704570.db2.gz WXIFTZZJPNZHAK-LLVKDONJSA-N 1 1 294.355 1.490 10 5 CDBEMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC=CCC1 ZINC000344061211 362541115 /nfs/dbraw/zinc/54/11/15/362541115.db2.gz MLFAAAODIRPOCQ-JSGCOSHPSA-N 1 1 294.355 1.440 10 5 CDBEMO CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000344419365 362765948 /nfs/dbraw/zinc/76/59/48/362765948.db2.gz MWHJEVYDSLJBNE-GFCCVEGCSA-N 1 1 262.313 1.663 10 5 CDBEMO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1F ZINC000611502260 346806033 /nfs/dbraw/zinc/80/60/33/346806033.db2.gz QMDFSYRJKFVZPS-CMPLNLGQSA-N 1 1 283.303 1.436 10 5 CDBEMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1F ZINC000611502260 346806035 /nfs/dbraw/zinc/80/60/35/346806035.db2.gz QMDFSYRJKFVZPS-CMPLNLGQSA-N 1 1 283.303 1.436 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000107824085 186193802 /nfs/dbraw/zinc/19/38/02/186193802.db2.gz ZSTPKWHUTFMTAO-GFCCVEGCSA-N 1 1 278.308 1.898 10 5 CDBEMO O=[N+]([O-])c1cnccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000066796561 350875370 /nfs/dbraw/zinc/87/53/70/350875370.db2.gz RNQSZEDOIJLBGL-LBPRGKRZSA-N 1 1 292.339 1.291 10 5 CDBEMO C[C@H]([NH2+]CC(=O)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000036782370 363013839 /nfs/dbraw/zinc/01/38/39/363013839.db2.gz AZBJWWNFFOFVEW-VIFPVBQESA-N 1 1 263.297 1.524 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000566102621 357281657 /nfs/dbraw/zinc/28/16/57/357281657.db2.gz FQGCLXSMYCRHER-LLVKDONJSA-N 1 1 299.277 1.582 10 5 CDBEMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC1(CO)CC1 ZINC000186790557 357691486 /nfs/dbraw/zinc/69/14/86/357691486.db2.gz DXODTZZVZPNLPN-UHFFFAOYSA-N 1 1 280.324 1.678 10 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Cc1cc(N2CC[N@@H+](CCO)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000450957587 390581388 /nfs/dbraw/zinc/58/13/88/390581388.db2.gz UKICQEBSEYBJEX-LLVKDONJSA-N 1 1 297.330 1.545 10 5 CDBEMO Cc1cc(N2CC[N@H+](CCO)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000450957587 390581392 /nfs/dbraw/zinc/58/13/92/390581392.db2.gz UKICQEBSEYBJEX-LLVKDONJSA-N 1 1 297.330 1.545 10 5 CDBEMO COc1cc(C[N@H+](C)C(C)(C)C(N)=O)ccc1[N+](=O)[O-] ZINC000451137695 390602001 /nfs/dbraw/zinc/60/20/01/390602001.db2.gz VBUSSCHOSWBNGK-UHFFFAOYSA-N 1 1 281.312 1.299 10 5 CDBEMO COc1cc(C[N@@H+](C)C(C)(C)C(N)=O)ccc1[N+](=O)[O-] ZINC000451137695 390602005 /nfs/dbraw/zinc/60/20/05/390602005.db2.gz VBUSSCHOSWBNGK-UHFFFAOYSA-N 1 1 281.312 1.299 10 5 CDBEMO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000399284605 391667750 /nfs/dbraw/zinc/66/77/50/391667750.db2.gz KEFIEYOFWJHDCD-GWCFXTLKSA-N 1 1 250.298 1.940 10 5 CDBEMO CNC(=O)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000430209155 393092384 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295.314 1.948 10 5 CDBEMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)n1 ZINC000191799261 227174431 /nfs/dbraw/zinc/17/44/31/227174431.db2.gz CROWYNZXHCRFOJ-SECBINFHSA-N 1 1 295.343 1.024 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000418105633 228053948 /nfs/dbraw/zinc/05/39/48/228053948.db2.gz BHGXWWGTSDSMFS-CHWSQXEVSA-N 1 1 293.367 1.482 10 5 CDBEMO CC[N@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)[C@H](C)C1 ZINC000266231415 270313363 /nfs/dbraw/zinc/31/33/63/270313363.db2.gz JSHAVPIAZUBGQL-NXEZZACHSA-N 1 1 294.359 1.134 10 5 CDBEMO C[C@@H]1C[N@H+](CCO)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000450954598 274348721 /nfs/dbraw/zinc/34/87/21/274348721.db2.gz NNFFVKGQFPWJCX-SNVBAGLBSA-N 1 1 299.758 1.751 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000450954598 274348722 /nfs/dbraw/zinc/34/87/22/274348722.db2.gz NNFFVKGQFPWJCX-SNVBAGLBSA-N 1 1 299.758 1.751 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCSCC1 ZINC000408015816 279384681 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CCNC(=O)C[N@@H+](CC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817816 521736755 /nfs/dbraw/zinc/73/67/55/521736755.db2.gz SLGSPEKTELMUNF-UHFFFAOYSA-N 1 1 294.355 1.595 10 5 CDBEMO COC(=O)[C@@](C)([NH3+])C[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000068652077 523819608 /nfs/dbraw/zinc/81/96/08/523819608.db2.gz VIQTUXGBNDICHL-YGRLFVJLSA-N 1 1 296.323 1.951 10 5 CDBEMO C[N@H+]1CCC[C@H](CNc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455793 523842268 /nfs/dbraw/zinc/84/22/68/523842268.db2.gz FCKFXWWJLGCCIB-MRVPVSSYSA-N 1 1 285.735 1.792 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000062539910 523911125 /nfs/dbraw/zinc/91/11/25/523911125.db2.gz MOEBSGIKEXFLAT-SECBINFHSA-N 1 1 268.269 1.172 10 5 CDBEMO C[C@H](O)C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000247162190 525771411 /nfs/dbraw/zinc/77/14/11/525771411.db2.gz MLHHJNBCTSRHEY-MNOVXSKESA-N 1 1 299.396 1.543 10 5 CDBEMO C[N@@H+](CCCCNc1ccncc1[N+](=O)[O-])C1CC1 ZINC000413348896 536334236 /nfs/dbraw/zinc/33/42/36/536334236.db2.gz PTPHWBJDCDWJEP-UHFFFAOYSA-N 1 1 264.329 1.698 10 5 CDBEMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC[N+](=O)[O-] ZINC000791052999 618741090 /nfs/dbraw/zinc/74/10/90/618741090.db2.gz RBDXPKFMZGMIGA-ZDUSSCGKSA-N 1 1 264.325 1.979 10 5 CDBEMO Cc1occc1C(=O)NC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791054192 618743406 /nfs/dbraw/zinc/74/34/06/618743406.db2.gz YJWJHYMWTVUZDF-UHFFFAOYSA-N 1 1 281.312 1.059 10 5 CDBEMO CC1(C)CC(=O)NCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000895400567 619641154 /nfs/dbraw/zinc/64/11/54/619641154.db2.gz RYITXVASGRUYBQ-UHFFFAOYSA-N 1 1 291.351 1.738 10 5 CDBEMO C[C@H](ON=C(N)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000902611642 625022043 /nfs/dbraw/zinc/02/20/43/625022043.db2.gz GREASFXDIJZIJO-VIFPVBQESA-N 1 1 266.301 1.716 10 5 CDBEMO CC[N@@H+]1CC[C@H]1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001632372303 1166345249 /nfs/dbraw/zinc/34/52/49/1166345249.db2.gz YMIIYZGBAGTTMC-LBPRGKRZSA-N 1 1 277.324 1.614 10 5 CDBEMO CC[N@H+]1CC[C@H]1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001632372303 1166345250 /nfs/dbraw/zinc/34/52/50/1166345250.db2.gz YMIIYZGBAGTTMC-LBPRGKRZSA-N 1 1 277.324 1.614 10 5 CDBEMO CCc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC001644450233 1167318716 /nfs/dbraw/zinc/31/87/16/1167318716.db2.gz ACNSZSLQRFNBMC-UHFFFAOYSA-N 1 1 278.268 1.377 10 5 CDBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C(C)(C)O ZINC001653400131 1171540884 /nfs/dbraw/zinc/54/08/84/1171540884.db2.gz MKPZQNGDVFIRFE-CYBMUJFWSA-N 1 1 282.340 1.201 10 5 CDBEMO Cc1noc(C[N@@H+]2CC[C@@]3(CCOC3=O)C2)c1[N+](=O)[O-] ZINC001655919836 1171744572 /nfs/dbraw/zinc/74/45/72/1171744572.db2.gz ZNDCDERYCMPHTO-GFCCVEGCSA-N 1 1 281.268 1.030 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@@]3(CCOC3=O)C2)c1[N+](=O)[O-] ZINC001655919836 1171744578 /nfs/dbraw/zinc/74/45/78/1171744578.db2.gz ZNDCDERYCMPHTO-GFCCVEGCSA-N 1 1 281.268 1.030 10 5 CDBEMO CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001725352747 1181969355 /nfs/dbraw/zinc/96/93/55/1181969355.db2.gz ITIXXCYKRZVZJP-AAVRWANBSA-N 1 1 297.399 1.572 10 5 CDBEMO O=C1OC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000860157833 733236133 /nfs/dbraw/zinc/23/61/33/733236133.db2.gz DWBWPXWBMTYVOP-GHMZBOCLSA-N 1 1 292.291 1.078 10 5 CDBEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822524236 733368827 /nfs/dbraw/zinc/36/88/27/733368827.db2.gz VWQYAPJSFADZMU-GFCCVEGCSA-N 1 1 285.388 1.813 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928437319 733384999 /nfs/dbraw/zinc/38/49/99/733384999.db2.gz BYEZPJVWDHJITB-PELKAZGASA-N 1 1 281.287 1.556 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(COC3)C2)cc1F ZINC000852683702 733523028 /nfs/dbraw/zinc/52/30/28/733523028.db2.gz PZRNMWAKWFFSBZ-UHFFFAOYSA-N 1 1 266.272 1.956 10 5 CDBEMO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840459530 733804401 /nfs/dbraw/zinc/80/44/01/733804401.db2.gz VZLWPPOIGBEZDE-ZIAGYGMSSA-N 1 1 297.399 1.765 10 5 CDBEMO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000159413011 733859677 /nfs/dbraw/zinc/85/96/77/733859677.db2.gz PGBUDGBZAMULKM-ZANVPECISA-N 1 1 268.288 1.937 10 5 CDBEMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1O ZINC000159413011 733859679 /nfs/dbraw/zinc/85/96/79/733859679.db2.gz PGBUDGBZAMULKM-ZANVPECISA-N 1 1 268.288 1.937 10 5 CDBEMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CC[N+](=O)[O-] ZINC000931567184 733933182 /nfs/dbraw/zinc/93/31/82/733933182.db2.gz OXHJEDITEKUIIK-NEPJUHHUSA-N 1 1 299.371 1.737 10 5 CDBEMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CC[N+](=O)[O-] ZINC000931567184 733933189 /nfs/dbraw/zinc/93/31/89/733933189.db2.gz OXHJEDITEKUIIK-NEPJUHHUSA-N 1 1 299.371 1.737 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC(C[NH+]3CCOCC3)C2)n1 ZINC000853640619 734128151 /nfs/dbraw/zinc/12/81/51/734128151.db2.gz NMNLNJOQGJIQMI-UHFFFAOYSA-N 1 1 292.339 1.067 10 5 CDBEMO COC(OC)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000079609019 734183066 /nfs/dbraw/zinc/18/30/66/734183066.db2.gz PGDMPZZRDIXIRY-ZETCQYMHSA-N 1 1 260.315 1.753 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000930348425 734687594 /nfs/dbraw/zinc/68/75/94/734687594.db2.gz PNGZTTFNBBGQAJ-AWEZNQCLSA-N 1 1 264.325 1.289 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000930348425 734687597 /nfs/dbraw/zinc/68/75/97/734687597.db2.gz PNGZTTFNBBGQAJ-AWEZNQCLSA-N 1 1 264.325 1.289 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000931272612 734925454 /nfs/dbraw/zinc/92/54/54/734925454.db2.gz XGRQTYFNZJRLTA-ZDUSSCGKSA-N 1 1 277.324 1.689 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000931272612 734925456 /nfs/dbraw/zinc/92/54/56/734925456.db2.gz XGRQTYFNZJRLTA-ZDUSSCGKSA-N 1 1 277.324 1.689 10 5 CDBEMO C[C@@H]1CC[C@H](O)C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817287237 735168580 /nfs/dbraw/zinc/16/85/80/735168580.db2.gz DLTRMNVSBZUDFU-DDTOSNHZSA-N 1 1 280.324 1.473 10 5 CDBEMO Cn1cc([C@@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001193155007 923500984 /nfs/dbraw/zinc/50/09/84/923500984.db2.gz RCBZWTLMWUAEAM-CYBMUJFWSA-N 1 1 276.296 1.152 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@]23CCOC3)n1 ZINC001198761232 925520541 /nfs/dbraw/zinc/52/05/41/925520541.db2.gz GCONLWFKNXFYBR-ZDUSSCGKSA-N 1 1 280.328 1.436 10 5 CDBEMO C[N@H+]1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000823771441 925728506 /nfs/dbraw/zinc/72/85/06/925728506.db2.gz JRQBXZZHZQIWTM-NSHDSACASA-N 1 1 299.277 1.583 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1C[C@H](C)C[NH+]1CCOCC1 ZINC001165571362 939571278 /nfs/dbraw/zinc/57/12/78/939571278.db2.gz YSRMQSBBRDONRX-SNVBAGLBSA-N 1 1 268.317 1.068 10 5 CDBEMO CC(C)(CCC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)[N+](=O)[O-] ZINC001556727235 965088623 /nfs/dbraw/zinc/08/86/23/965088623.db2.gz GTCBRFSKVZAMTI-QWRGUYRKSA-N 1 1 287.335 1.077 10 5 CDBEMO CC(C)(CCC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1)[N+](=O)[O-] ZINC001556727235 965088632 /nfs/dbraw/zinc/08/86/32/965088632.db2.gz GTCBRFSKVZAMTI-QWRGUYRKSA-N 1 1 287.335 1.077 10 5 CDBEMO Cn1cc(C[N@@H+]2CCCC[C@]23CCOC3)c([N+](=O)[O-])n1 ZINC001460959133 969574172 /nfs/dbraw/zinc/57/41/72/969574172.db2.gz KSYCZZCCGNLIOR-CYBMUJFWSA-N 1 1 280.328 1.473 10 5 CDBEMO Cn1cc(C[N@H+]2CCCC[C@]23CCOC3)c([N+](=O)[O-])n1 ZINC001460959133 969574178 /nfs/dbraw/zinc/57/41/78/969574178.db2.gz KSYCZZCCGNLIOR-CYBMUJFWSA-N 1 1 280.328 1.473 10 5 CDBEMO COc1ccc(NC(=O)Cn2c[nH+]cc2C)cc1[N+](=O)[O-] ZINC001536587475 969620749 /nfs/dbraw/zinc/62/07/49/969620749.db2.gz XMGGSOWYJHMEJF-UHFFFAOYSA-N 1 1 290.279 1.747 10 5 CDBEMO C[N@@H+]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001652491457 1171443453 /nfs/dbraw/zinc/44/34/53/1171443453.db2.gz JQHAFEPRZIDYNR-GFCCVEGCSA-N 1 1 293.323 1.370 10 5 CDBEMO C[N@H+]1C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001652491457 1171443459 /nfs/dbraw/zinc/44/34/59/1171443459.db2.gz JQHAFEPRZIDYNR-GFCCVEGCSA-N 1 1 293.323 1.370 10 5 CDBEMO COc1ccc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590010667 342519447 /nfs/dbraw/zinc/51/94/47/342519447.db2.gz BSYGVMRCWADBSR-JSGCOSHPSA-N 1 1 291.351 1.739 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442073 342546050 /nfs/dbraw/zinc/54/60/50/342546050.db2.gz GEQSVFJYUXKHQG-NOZJJQNGSA-N 1 1 293.298 1.510 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCO)CC1 ZINC000066559993 342172554 /nfs/dbraw/zinc/17/25/54/342172554.db2.gz UCERFDDMNXIZFX-LBPRGKRZSA-N 1 1 279.340 1.266 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000593020072 342758563 /nfs/dbraw/zinc/75/85/63/342758563.db2.gz ILDPQLLMSHXARF-JOYOIKCWSA-N 1 1 294.307 1.337 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000593020072 342758564 /nfs/dbraw/zinc/75/85/64/342758564.db2.gz ILDPQLLMSHXARF-JOYOIKCWSA-N 1 1 294.307 1.337 10 5 CDBEMO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594597033 342923786 /nfs/dbraw/zinc/92/37/86/342923786.db2.gz CDGXUJPDCVDRBW-DGCLKSJQSA-N 1 1 276.340 1.841 10 5 CDBEMO Cc1noc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1[N+](=O)[O-] ZINC000595450890 343065839 /nfs/dbraw/zinc/06/58/39/343065839.db2.gz FCUMIRRKHBLFDF-HTQZYQBOSA-N 1 1 269.301 1.625 10 5 CDBEMO COC[C@H](C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000595485092 343065992 /nfs/dbraw/zinc/06/59/92/343065992.db2.gz RIRQEGXCDCHCLK-ZDUSSCGKSA-N 1 1 282.340 1.731 10 5 CDBEMO CC[C@H](CO)[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078670712 342339585 /nfs/dbraw/zinc/33/95/85/342339585.db2.gz FJKPXUVUABWOJG-GFCCVEGCSA-N 1 1 294.355 1.191 10 5 CDBEMO C[C@@]12COC[C@@H]1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000595759072 343143367 /nfs/dbraw/zinc/14/33/67/343143367.db2.gz OWTFNHZCXSJBSW-SWLSCSKDSA-N 1 1 292.335 1.942 10 5 CDBEMO Cc1noc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595827428 343167517 /nfs/dbraw/zinc/16/75/17/343167517.db2.gz PNBIQLRCHZPHST-ZJUUUORDSA-N 1 1 267.285 1.360 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1[N+](=O)[O-] ZINC000595827428 343167518 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Cn1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000231668133 1178172701 /nfs/dbraw/zinc/17/27/01/1178172701.db2.gz ZSSFLIIOUDSNDR-SECBINFHSA-N 1 1 253.306 1.082 10 5 CDBEMO CC/C=C/CC[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713591090 1178672208 /nfs/dbraw/zinc/67/22/08/1178672208.db2.gz BBBCQIMIFBFWMU-GKUNOOHESA-N 1 1 269.345 1.056 10 5 CDBEMO C[N@@H+](CCCC1CCCC1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714533248 1179188436 /nfs/dbraw/zinc/18/84/36/1179188436.db2.gz FNMAKMACWNEZQR-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO C[N@H+](CCCC1CCCC1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714533248 1179188442 /nfs/dbraw/zinc/18/84/42/1179188442.db2.gz FNMAKMACWNEZQR-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO C[N@@H+](CCCC1CCCC1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714533248 1179188446 /nfs/dbraw/zinc/18/84/46/1179188446.db2.gz FNMAKMACWNEZQR-ZIAGYGMSSA-N 1 1 297.399 1.670 10 5 CDBEMO O=C(NCC1([NH2+]C/C=C/Cl)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001717150145 1180548995 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O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227574479 744963932 /nfs/dbraw/zinc/96/39/32/744963932.db2.gz DIIVCVXMIHBOSA-JTQLQIEISA-N 1 1 268.288 1.938 10 5 CDBEMO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000712333522 745665079 /nfs/dbraw/zinc/66/50/79/745665079.db2.gz RPTLSSOXAOKRHP-JTQLQIEISA-N 1 1 281.287 1.558 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000712333522 745665094 /nfs/dbraw/zinc/66/50/94/745665094.db2.gz RPTLSSOXAOKRHP-JTQLQIEISA-N 1 1 281.287 1.558 10 5 CDBEMO C[C@H]1[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928438543 745926586 /nfs/dbraw/zinc/92/65/86/745926586.db2.gz KBWCKFPEEAWZIZ-QPUJVOFHSA-N 1 1 279.296 1.123 10 5 CDBEMO C[C@H]1[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928438543 745926606 /nfs/dbraw/zinc/92/66/06/745926606.db2.gz KBWCKFPEEAWZIZ-QPUJVOFHSA-N 1 1 279.296 1.123 10 5 CDBEMO C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1C[NH3+] ZINC000923491589 746166548 /nfs/dbraw/zinc/16/65/48/746166548.db2.gz JSOCEXSXUMJLEL-MNOVXSKESA-N 1 1 264.329 1.407 10 5 CDBEMO COC(OC)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000079609021 746271672 /nfs/dbraw/zinc/27/16/72/746271672.db2.gz PGDMPZZRDIXIRY-SSDOTTSWSA-N 1 1 260.315 1.753 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928445559 747700250 /nfs/dbraw/zinc/70/02/50/747700250.db2.gz ZCNBGTIRLVZAJA-GHMZBOCLSA-N 1 1 277.324 1.726 10 5 CDBEMO Cc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000866204841 747898110 /nfs/dbraw/zinc/89/81/10/747898110.db2.gz GWQBWIZNJBVTKZ-NWDGAFQWSA-N 1 1 276.340 1.829 10 5 CDBEMO C[N@H+]1CC[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000712551600 748242896 /nfs/dbraw/zinc/24/28/96/748242896.db2.gz ZBMAJFUQVCTQDN-SECBINFHSA-N 1 1 261.285 1.587 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000840112722 748867623 /nfs/dbraw/zinc/86/76/23/748867623.db2.gz AUXWPUVEHCYUTO-MCIONIFRSA-N 1 1 294.355 1.764 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000840112722 748867628 /nfs/dbraw/zinc/86/76/28/748867628.db2.gz AUXWPUVEHCYUTO-MCIONIFRSA-N 1 1 294.355 1.764 10 5 CDBEMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1CO ZINC000248949617 749336759 /nfs/dbraw/zinc/33/67/59/749336759.db2.gz PKYLOFOIRHWWLR-ZANVPECISA-N 1 1 268.288 1.937 10 5 CDBEMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001643510205 1167254104 /nfs/dbraw/zinc/25/41/04/1167254104.db2.gz BRVLVXIGHNGZPI-SNVBAGLBSA-N 1 1 292.339 1.309 10 5 CDBEMO C[C@H]1[C@@H](O)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001645674957 1167460635 /nfs/dbraw/zinc/46/06/35/1167460635.db2.gz ICOKMMWQPUGKNG-GWCFXTLKSA-N 1 1 250.298 1.592 10 5 CDBEMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1nn(C)cc1[N+](=O)[O-] ZINC001185017446 919370360 /nfs/dbraw/zinc/37/03/60/919370360.db2.gz MCJWZTCLDDYWIE-WDEREUQCSA-N 1 1 281.360 1.861 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001187807784 920666055 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CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC001296126350 954813074 /nfs/dbraw/zinc/81/30/74/954813074.db2.gz HNNRIPVBOROPPZ-JTQLQIEISA-N 1 1 280.328 1.526 10 5 CDBEMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H](C)C1 ZINC001449341322 967438817 /nfs/dbraw/zinc/43/88/17/967438817.db2.gz YSKINXIWFWLXII-SNVBAGLBSA-N 1 1 292.339 1.343 10 5 CDBEMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)[C@H](C)C1 ZINC001449341322 967438822 /nfs/dbraw/zinc/43/88/22/967438822.db2.gz YSKINXIWFWLXII-SNVBAGLBSA-N 1 1 292.339 1.343 10 5 CDBEMO C[NH+](C)C1(C)CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001454920284 968567608 /nfs/dbraw/zinc/56/76/08/968567608.db2.gz JULFIKBQIBETMS-UHFFFAOYSA-N 1 1 295.343 1.311 10 5 CDBEMO C[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C(C)(C)C1 ZINC001456158476 968878469 /nfs/dbraw/zinc/87/84/69/968878469.db2.gz MMIUZEXHBBSYPW-SECBINFHSA-N 1 1 267.285 1.258 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)n1 ZINC001354790735 968896511 /nfs/dbraw/zinc/89/65/11/968896511.db2.gz GJPNSDMIKRPKDY-NSHDSACASA-N 1 1 292.339 1.464 10 5 CDBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001473147276 970761556 /nfs/dbraw/zinc/76/15/56/970761556.db2.gz HJMSTLYHYBCRGS-VHSXEESVSA-N 1 1 278.312 1.076 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000601166582 342485168 /nfs/dbraw/zinc/48/51/68/342485168.db2.gz OOMHSWNEXOSKLN-QMMMGPOBSA-N 1 1 277.259 1.821 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000601166582 342485169 /nfs/dbraw/zinc/48/51/69/342485169.db2.gz OOMHSWNEXOSKLN-QMMMGPOBSA-N 1 1 277.259 1.821 10 5 CDBEMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CSC3)nc2c1 ZINC000618618711 349494623 /nfs/dbraw/zinc/49/46/23/349494623.db2.gz RCAGZGOBGPOBMN-UHFFFAOYSA-N 1 1 264.310 1.676 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590442707 342546226 /nfs/dbraw/zinc/54/62/26/342546226.db2.gz AGLOGPFRYBZKFW-DGCLKSJQSA-N 1 1 289.335 1.679 10 5 CDBEMO COCC[N@H+]1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000609039376 342087935 /nfs/dbraw/zinc/08/79/35/342087935.db2.gz RNSBPJXCOLNSJU-LLVKDONJSA-N 1 1 280.328 1.513 10 5 CDBEMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])s1 ZINC000591370556 342629933 /nfs/dbraw/zinc/62/99/33/342629933.db2.gz DQCVVVQHRUGKJP-NXEZZACHSA-N 1 1 285.369 1.548 10 5 CDBEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])s1 ZINC000591370556 342629934 /nfs/dbraw/zinc/62/99/34/342629934.db2.gz DQCVVVQHRUGKJP-NXEZZACHSA-N 1 1 285.369 1.548 10 5 CDBEMO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593924345 342852208 /nfs/dbraw/zinc/85/22/08/342852208.db2.gz MKKHTOTXAVHRDL-MWLCHTKSSA-N 1 1 265.313 1.612 10 5 CDBEMO Cc1noc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1[N+](=O)[O-] ZINC000595303650 343030646 /nfs/dbraw/zinc/03/06/46/343030646.db2.gz BDJASTCQPPBCGN-VIFPVBQESA-N 1 1 282.300 1.121 10 5 CDBEMO Cc1noc(C[N@H+]2CCCC[C@H]2CC(N)=O)c1[N+](=O)[O-] ZINC000595303650 343030648 /nfs/dbraw/zinc/03/06/48/343030648.db2.gz BDJASTCQPPBCGN-VIFPVBQESA-N 1 1 282.300 1.121 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000597944548 343674975 /nfs/dbraw/zinc/67/49/75/343674975.db2.gz DXUOPYKYBYNJJK-SECBINFHSA-N 1 1 266.301 1.089 10 5 CDBEMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000599559947 344082994 /nfs/dbraw/zinc/08/29/94/344082994.db2.gz ZFCHPTKYALQEPU-CQSZACIVSA-N 1 1 294.307 1.359 10 5 CDBEMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000599559947 344082995 /nfs/dbraw/zinc/08/29/95/344082995.db2.gz ZFCHPTKYALQEPU-CQSZACIVSA-N 1 1 294.307 1.359 10 5 CDBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1CCCO ZINC000052762641 345331994 /nfs/dbraw/zinc/33/19/94/345331994.db2.gz MMTJJUWQOVUPSU-GFCCVEGCSA-N 1 1 282.344 1.337 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C(F)F)C2)c1 ZINC000611180149 346630598 /nfs/dbraw/zinc/63/05/98/346630598.db2.gz SPMBRNGAHPQUAD-QMMMGPOBSA-N 1 1 260.244 1.378 10 5 CDBEMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271801439 191336425 /nfs/dbraw/zinc/33/64/25/191336425.db2.gz MLCNVOZKJADXNL-GWCFXTLKSA-N 1 1 277.324 1.866 10 5 CDBEMO CC(C)C[C@@H](CO)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000185332824 357533818 /nfs/dbraw/zinc/53/38/18/357533818.db2.gz HGMPAZOHQAADOR-NSHDSACASA-N 1 1 270.333 1.130 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000360897861 357738269 /nfs/dbraw/zinc/73/82/69/357738269.db2.gz WTHNJIJUCUIJQZ-GFCCVEGCSA-N 1 1 293.371 1.793 10 5 CDBEMO CO[C@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000341567729 358661189 /nfs/dbraw/zinc/66/11/89/358661189.db2.gz RFYGBGFVSNFYLL-GFCCVEGCSA-N 1 1 297.355 1.502 10 5 CDBEMO Cc1nn(C)c(N[C@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000370861358 359043641 /nfs/dbraw/zinc/04/36/41/359043641.db2.gz MUEMCTCTQBTDDW-QMMMGPOBSA-N 1 1 276.300 1.329 10 5 CDBEMO Cc1nn(C)c(N[C@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000370861358 359043647 /nfs/dbraw/zinc/04/36/47/359043647.db2.gz MUEMCTCTQBTDDW-QMMMGPOBSA-N 1 1 276.300 1.329 10 5 CDBEMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)CCO1 ZINC001660667000 1172254247 /nfs/dbraw/zinc/25/42/47/1172254247.db2.gz AZALNHFJQRIKOK-GHMZBOCLSA-N 1 1 268.317 1.291 10 5 CDBEMO Cn1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000347787891 359647026 /nfs/dbraw/zinc/64/70/26/359647026.db2.gz QIQHLRARPQMCOS-UHFFFAOYSA-N 1 1 273.296 1.282 10 5 CDBEMO Cn1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cn1 ZINC000347787891 359647029 /nfs/dbraw/zinc/64/70/29/359647029.db2.gz QIQHLRARPQMCOS-UHFFFAOYSA-N 1 1 273.296 1.282 10 5 CDBEMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)NC1CC1 ZINC000135707120 359940674 /nfs/dbraw/zinc/94/06/74/359940674.db2.gz JWGODKUVDZRJPB-UWVGGRQHSA-N 1 1 277.324 1.913 10 5 CDBEMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1(CO)CC1 ZINC000275418502 193029116 /nfs/dbraw/zinc/02/91/16/193029116.db2.gz HJHOHZRHKCYBGJ-UHFFFAOYSA-N 1 1 268.288 1.938 10 5 CDBEMO 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ZINC000878303283 752873229 /nfs/dbraw/zinc/87/32/29/752873229.db2.gz MKJJUGWYCOPUAT-GFCCVEGCSA-N 1 1 294.351 1.475 10 5 CDBEMO CC(C)(O)C[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000878303283 752873232 /nfs/dbraw/zinc/87/32/32/752873232.db2.gz MKJJUGWYCOPUAT-GFCCVEGCSA-N 1 1 294.351 1.475 10 5 CDBEMO Cc1ccccc1C(=O)NC1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000791053118 753073572 /nfs/dbraw/zinc/07/35/72/753073572.db2.gz SMTYLHDXKQUGLI-UHFFFAOYSA-N 1 1 291.351 1.466 10 5 CDBEMO CCc1nn(C)c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000866209421 753268244 /nfs/dbraw/zinc/26/82/44/753268244.db2.gz RXGBBZZURLVBBH-ZYHUDNBSSA-N 1 1 293.371 1.421 10 5 CDBEMO CC(C)[N@@H+](C)CC1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001642109060 1167155939 /nfs/dbraw/zinc/15/59/39/1167155939.db2.gz GMWUTVHTZDKEJA-UHFFFAOYSA-N 1 1 295.387 1.885 10 5 CDBEMO CC(=O)N(C)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001271951642 907021799 /nfs/dbraw/zinc/02/17/99/907021799.db2.gz PFVQAJZSBYESHW-UHFFFAOYSA-N 1 1 265.313 1.505 10 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/nfs/dbraw/zinc/17/33/00/926173300.db2.gz OCGBSMBFMMIIGI-TZMCWYRMSA-N 1 1 293.367 1.573 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000828724972 926173305 /nfs/dbraw/zinc/17/33/05/926173305.db2.gz OCGBSMBFMMIIGI-TZMCWYRMSA-N 1 1 293.367 1.573 10 5 CDBEMO CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000855360750 928397956 /nfs/dbraw/zinc/39/79/56/928397956.db2.gz ITSKHDPKKNPDKR-NSHDSACASA-N 1 1 295.314 1.900 10 5 CDBEMO Cc1nn(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000799158469 937380052 /nfs/dbraw/zinc/38/00/52/937380052.db2.gz MGXFYINMHQPQJM-GFCCVEGCSA-N 1 1 287.323 1.942 10 5 CDBEMO Cc1nn(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000799158469 937380054 /nfs/dbraw/zinc/38/00/54/937380054.db2.gz MGXFYINMHQPQJM-GFCCVEGCSA-N 1 1 287.323 1.942 10 5 CDBEMO CN1CC[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC001117746762 937549027 /nfs/dbraw/zinc/54/90/27/937549027.db2.gz BEOJZHGRNKVENX-UHFFFAOYSA-N 1 1 293.371 1.428 10 5 CDBEMO CCC[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001276199587 932631852 /nfs/dbraw/zinc/63/18/52/932631852.db2.gz BGHPBDQJAVQDBF-VXGBXAGGSA-N 1 1 283.372 1.470 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC001262263014 946556732 /nfs/dbraw/zinc/55/67/32/946556732.db2.gz DEJBFSBSEZLKMV-CQSZACIVSA-N 1 1 262.309 1.785 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC001262263014 946556738 /nfs/dbraw/zinc/55/67/38/946556738.db2.gz DEJBFSBSEZLKMV-CQSZACIVSA-N 1 1 262.309 1.785 10 5 CDBEMO CC[N@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C(C)(C)C1 ZINC001558528423 965308238 /nfs/dbraw/zinc/30/82/38/965308238.db2.gz VPNFDPYRQBTHEC-SNVBAGLBSA-N 1 1 280.328 1.383 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590445824 342546558 /nfs/dbraw/zinc/54/65/58/342546558.db2.gz SIQFWMLTARGXDA-TVQRCGJNSA-N 1 1 293.298 1.510 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590446071 342546590 /nfs/dbraw/zinc/54/65/90/342546590.db2.gz QZEUPCONUKFTTN-ZWNOBZJWSA-N 1 1 290.323 1.074 10 5 CDBEMO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000601327742 342554353 /nfs/dbraw/zinc/55/43/53/342554353.db2.gz ZRRYYRICLMQNCY-VXGBXAGGSA-N 1 1 279.340 1.500 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC(C[NH+]2CCOCC2)C1 ZINC000590567988 342576177 /nfs/dbraw/zinc/57/61/77/342576177.db2.gz LMGZMDGJHSKFBL-UHFFFAOYSA-N 1 1 292.339 1.067 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593114453 342770323 /nfs/dbraw/zinc/77/03/23/342770323.db2.gz BPXKIYKTKNLGJZ-SNVBAGLBSA-N 1 1 272.255 1.522 10 5 CDBEMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593188581 342776360 /nfs/dbraw/zinc/77/63/60/342776360.db2.gz MAMYBICEUDXDPX-GMTAPVOTSA-N 1 1 292.339 1.543 10 5 CDBEMO Cc1[nH+]cc(-c2cc([N+](=O)[O-])ccc2CCO)n1C ZINC000600850357 342252631 /nfs/dbraw/zinc/25/26/31/342252631.db2.gz SMKZOHNKKKGBID-UHFFFAOYSA-N 1 1 261.281 1.839 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000618455509 342954726 /nfs/dbraw/zinc/95/47/26/342954726.db2.gz AHUXNQGBIFFQDX-NSHDSACASA-N 1 1 277.324 1.727 10 5 CDBEMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1(CO)CC1 ZINC000595447521 343053724 /nfs/dbraw/zinc/05/37/24/343053724.db2.gz HUQGQDGSGYRVNE-UHFFFAOYSA-N 1 1 268.288 1.938 10 5 CDBEMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1(CO)CC1 ZINC000595447521 343053725 /nfs/dbraw/zinc/05/37/25/343053725.db2.gz HUQGQDGSGYRVNE-UHFFFAOYSA-N 1 1 268.288 1.938 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000609802210 346002295 /nfs/dbraw/zinc/00/22/95/346002295.db2.gz FIJDUBLLPGSQOG-GFCCVEGCSA-N 1 1 262.313 1.886 10 5 CDBEMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000610922286 346487905 /nfs/dbraw/zinc/48/79/05/346487905.db2.gz HSCKOXLAEZXHKX-SECBINFHSA-N 1 1 295.343 1.265 10 5 CDBEMO Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000072285253 356736895 /nfs/dbraw/zinc/73/68/95/356736895.db2.gz MNMTYKPUPYLVMS-UHFFFAOYSA-N 1 1 295.339 1.544 10 5 CDBEMO Cc1ccc(NC(=O)C[N@H+](C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000072285253 356736898 /nfs/dbraw/zinc/73/68/98/356736898.db2.gz MNMTYKPUPYLVMS-UHFFFAOYSA-N 1 1 295.339 1.544 10 5 CDBEMO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274641699 359062174 /nfs/dbraw/zinc/06/21/74/359062174.db2.gz AUVIQLBOHNDEHX-LLVKDONJSA-N 1 1 293.323 1.467 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000342775375 360063929 /nfs/dbraw/zinc/06/39/29/360063929.db2.gz DUMOEQNUAVFKMZ-UHFFFAOYSA-N 1 1 278.312 1.122 10 5 CDBEMO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000330524346 360172457 /nfs/dbraw/zinc/17/24/57/360172457.db2.gz BUHUKNXLRSJPFV-STQMWFEESA-N 1 1 280.324 1.485 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000049095775 372908333 /nfs/dbraw/zinc/90/83/33/372908333.db2.gz IAHDDIDJGXMOKR-VIFPVBQESA-N 1 1 269.326 1.480 10 5 CDBEMO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422945816 374363766 /nfs/dbraw/zinc/36/37/66/374363766.db2.gz NZNKMDMHKNBNSE-GJZGRUSLSA-N 1 1 291.351 1.451 10 5 CDBEMO CC[N@@H+](CCOCCO)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000282197351 375071904 /nfs/dbraw/zinc/07/19/04/375071904.db2.gz WXLPUOZXEAUNMH-GFCCVEGCSA-N 1 1 282.340 1.987 10 5 CDBEMO CC[C@@H](C)[N@@H+](C)CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000357236609 375892335 /nfs/dbraw/zinc/89/23/35/375892335.db2.gz KTEQATCYBDEBFP-SNVBAGLBSA-N 1 1 292.343 1.202 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195091531 375984412 /nfs/dbraw/zinc/98/44/12/375984412.db2.gz OTQBMEMJTKSYJL-AWEZNQCLSA-N 1 1 289.335 1.905 10 5 CDBEMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195091531 375984419 /nfs/dbraw/zinc/98/44/19/375984419.db2.gz OTQBMEMJTKSYJL-AWEZNQCLSA-N 1 1 289.335 1.905 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC[C@@H]2CCO)cc1 ZINC000347539802 376366388 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O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2CCO)c(F)c1 ZINC000413324971 391199660 /nfs/dbraw/zinc/19/96/60/391199660.db2.gz JUCXAYFCQGMSMF-SNVBAGLBSA-N 1 1 298.318 1.388 10 5 CDBEMO Cc1cccc(N2CCC[N@@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000218850626 130771024 /nfs/dbraw/zinc/77/10/24/130771024.db2.gz CHBSLZQOAVYUEA-UHFFFAOYSA-N 1 1 279.340 1.408 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C)(CO)C1 ZINC000459622644 392494139 /nfs/dbraw/zinc/49/41/39/392494139.db2.gz PNSDQPDUZNULDT-UHFFFAOYSA-N 1 1 250.298 1.717 10 5 CDBEMO C[N@H+]1CCO[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000301682461 392845414 /nfs/dbraw/zinc/84/54/14/392845414.db2.gz VTRMZRFGUUETHO-QWHCGFSZSA-N 1 1 297.742 1.767 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000113233571 392868997 /nfs/dbraw/zinc/86/89/97/392868997.db2.gz OCBFAPQUMIKMEC-NWDGAFQWSA-N 1 1 289.335 1.904 10 5 CDBEMO CNC(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420973589 392922371 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O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cs1 ZINC000425351975 393020841 /nfs/dbraw/zinc/02/08/41/393020841.db2.gz HEMUGYKJKJWBPQ-SECBINFHSA-N 1 1 279.325 1.764 10 5 CDBEMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)cs1 ZINC000425351975 393020847 /nfs/dbraw/zinc/02/08/47/393020847.db2.gz HEMUGYKJKJWBPQ-SECBINFHSA-N 1 1 279.325 1.764 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000170606546 393224314 /nfs/dbraw/zinc/22/43/14/393224314.db2.gz PGMYIYHCSSJRGB-LLVKDONJSA-N 1 1 264.329 1.829 10 5 CDBEMO C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302422870 393199943 /nfs/dbraw/zinc/19/99/43/393199943.db2.gz NEZXAAQXXZVDQV-JTQLQIEISA-N 1 1 283.303 1.237 10 5 CDBEMO C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302422870 393199947 /nfs/dbraw/zinc/19/99/47/393199947.db2.gz NEZXAAQXXZVDQV-JTQLQIEISA-N 1 1 283.303 1.237 10 5 CDBEMO Cc1c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000195316131 140154926 /nfs/dbraw/zinc/15/49/26/140154926.db2.gz XAZYDXVKMGPYPE-LBPRGKRZSA-N 1 1 289.335 1.823 10 5 CDBEMO CCCNC(=O)C[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072726371 260164824 /nfs/dbraw/zinc/16/48/24/260164824.db2.gz NFXOJRPGZMIVOI-UHFFFAOYSA-N 1 1 285.731 1.864 10 5 CDBEMO COC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129742258 274051328 /nfs/dbraw/zinc/05/13/28/274051328.db2.gz MZXNKUJCYZEALA-CQSZACIVSA-N 1 1 280.324 1.567 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ncccc1[N+](=O)[O-] ZINC000113248296 274375050 /nfs/dbraw/zinc/37/50/50/274375050.db2.gz LXIBTTVWDJBNMP-GHMZBOCLSA-N 1 1 262.313 1.663 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])nc1 ZINC000574721870 295043798 /nfs/dbraw/zinc/04/37/98/295043798.db2.gz PEAYVLSNKUCIOT-ZYHUDNBSSA-N 1 1 262.313 1.663 10 5 CDBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000690239673 1161101996 /nfs/dbraw/zinc/10/19/96/1161101996.db2.gz HTBFZGQEYSASIA-AWEZNQCLSA-N 1 1 264.325 1.840 10 5 CDBEMO CCCNC(=O)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443463 519880186 /nfs/dbraw/zinc/88/01/86/519880186.db2.gz YTZRNDLUQUWONO-UHFFFAOYSA-N 1 1 285.731 1.864 10 5 CDBEMO COCC[N@@H+](C)CCNc1cc(F)cc([N+](=O)[O-])c1 ZINC000061379672 523612281 /nfs/dbraw/zinc/61/22/81/523612281.db2.gz CAZIDCWJHXMMFB-UHFFFAOYSA-N 1 1 271.292 1.724 10 5 CDBEMO COCC[N@@H+](C)CCNc1cc([N+](=O)[O-])ccc1C ZINC000061379457 523614286 /nfs/dbraw/zinc/61/42/86/523614286.db2.gz IZFKLMZPEIFHTC-UHFFFAOYSA-N 1 1 267.329 1.893 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000062539750 523912620 /nfs/dbraw/zinc/91/26/20/523912620.db2.gz DGIRKQAOVUDJGY-SECBINFHSA-N 1 1 288.687 1.517 10 5 CDBEMO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187695640 524635522 /nfs/dbraw/zinc/63/55/22/524635522.db2.gz HQJZUWSUWTWATK-LBPRGKRZSA-N 1 1 279.340 1.093 10 5 CDBEMO O=[N+]([O-])c1ccccc1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000062727280 527396997 /nfs/dbraw/zinc/39/69/97/527396997.db2.gz OCJHJSUJNHOPCH-LBPRGKRZSA-N 1 1 264.325 1.842 10 5 CDBEMO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000761099988 576548166 /nfs/dbraw/zinc/54/81/66/576548166.db2.gz WCSGXKGTFOKXIZ-YPMHNXCESA-N 1 1 287.319 1.578 10 5 CDBEMO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000761099988 576548168 /nfs/dbraw/zinc/54/81/68/576548168.db2.gz WCSGXKGTFOKXIZ-YPMHNXCESA-N 1 1 287.319 1.578 10 5 CDBEMO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000761099985 576548301 /nfs/dbraw/zinc/54/83/01/576548301.db2.gz WCSGXKGTFOKXIZ-WCQYABFASA-N 1 1 287.319 1.578 10 5 CDBEMO O=C(C[N@H+]1CC[C@H]2C[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000761099985 576548303 /nfs/dbraw/zinc/54/83/03/576548303.db2.gz WCSGXKGTFOKXIZ-WCQYABFASA-N 1 1 287.319 1.578 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000756888098 577013002 /nfs/dbraw/zinc/01/30/02/577013002.db2.gz NJTPWTZVZBAZMJ-ZYHUDNBSSA-N 1 1 266.301 1.250 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000756888098 577013005 /nfs/dbraw/zinc/01/30/05/577013005.db2.gz NJTPWTZVZBAZMJ-ZYHUDNBSSA-N 1 1 266.301 1.250 10 5 CDBEMO CC[N@H+]1CC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000389183870 617228127 /nfs/dbraw/zinc/22/81/27/617228127.db2.gz RHZPKFMVQZURRD-MRVPVSSYSA-N 1 1 281.341 1.810 10 5 CDBEMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928453788 619119061 /nfs/dbraw/zinc/11/90/61/619119061.db2.gz LHOPXZGAPDWVOA-PWSUYJOCSA-N 1 1 277.324 1.726 10 5 CDBEMO C[C@H]1[C@@H](O)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001170324576 1162337574 /nfs/dbraw/zinc/33/75/74/1162337574.db2.gz QSUBDJLRPPASJC-FZMZJTMJSA-N 1 1 280.324 1.819 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001640549335 1167035187 /nfs/dbraw/zinc/03/51/87/1167035187.db2.gz VYZDQZGAXIMXSY-SECBINFHSA-N 1 1 268.292 1.659 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)cc1F ZINC001648159325 1169102683 /nfs/dbraw/zinc/10/26/83/1169102683.db2.gz ZTVDFUHLMQUYMN-VIFPVBQESA-N 1 1 292.274 1.237 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3nn[nH]n3)C2)cc1F ZINC001648159325 1169102688 /nfs/dbraw/zinc/10/26/88/1169102688.db2.gz ZTVDFUHLMQUYMN-VIFPVBQESA-N 1 1 292.274 1.237 10 5 CDBEMO O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC001658336217 1172031645 /nfs/dbraw/zinc/03/16/45/1172031645.db2.gz ISGXAVGFQZWRAV-UHFFFAOYSA-N 1 1 287.279 1.044 10 5 CDBEMO O=c1cc2c(n[nH]1)CC[N@H+](Cc1cccnc1[N+](=O)[O-])C2 ZINC001658336217 1172031651 /nfs/dbraw/zinc/03/16/51/1172031651.db2.gz ISGXAVGFQZWRAV-UHFFFAOYSA-N 1 1 287.279 1.044 10 5 CDBEMO CCC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001714822330 1179411076 /nfs/dbraw/zinc/41/10/76/1179411076.db2.gz PYSODFUMIINJQR-VXGBXAGGSA-N 1 1 271.361 1.278 10 5 CDBEMO CCC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001714822330 1179411078 /nfs/dbraw/zinc/41/10/78/1179411078.db2.gz PYSODFUMIINJQR-VXGBXAGGSA-N 1 1 271.361 1.278 10 5 CDBEMO CCC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001714822330 1179411080 /nfs/dbraw/zinc/41/10/80/1179411080.db2.gz PYSODFUMIINJQR-VXGBXAGGSA-N 1 1 271.361 1.278 10 5 CDBEMO COC[C@H]1CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815127647 753881803 /nfs/dbraw/zinc/88/18/03/753881803.db2.gz XYJUPDMXHYLCRD-CHWSQXEVSA-N 1 1 266.297 1.349 10 5 CDBEMO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000829572687 754247592 /nfs/dbraw/zinc/24/75/92/754247592.db2.gz TUMNYIBVNDUARE-JTQLQIEISA-N 1 1 299.758 1.751 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000829572687 754247598 /nfs/dbraw/zinc/24/75/98/754247598.db2.gz TUMNYIBVNDUARE-JTQLQIEISA-N 1 1 299.758 1.751 10 5 CDBEMO Cc1nc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866204917 754741630 /nfs/dbraw/zinc/74/16/30/754741630.db2.gz HWBWRMOEEFNCBW-DGCLKSJQSA-N 1 1 276.340 1.829 10 5 CDBEMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC000872085839 754744732 /nfs/dbraw/zinc/74/47/32/754744732.db2.gz REEPSVHRSBTZCH-KCJUWKMLSA-N 1 1 295.364 1.856 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C=O)CC1 ZINC000827872084 754855189 /nfs/dbraw/zinc/85/51/89/754855189.db2.gz PFMAMDQVFDNIND-UHFFFAOYSA-N 1 1 277.324 1.567 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C=O)CC1 ZINC000827872084 754855192 /nfs/dbraw/zinc/85/51/92/754855192.db2.gz PFMAMDQVFDNIND-UHFFFAOYSA-N 1 1 277.324 1.567 10 5 CDBEMO COC(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000852571227 755304803 /nfs/dbraw/zinc/30/48/03/755304803.db2.gz MBNDARFOYRBDMZ-UHFFFAOYSA-N 1 1 281.312 1.725 10 5 CDBEMO COC(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000852571227 755304809 /nfs/dbraw/zinc/30/48/09/755304809.db2.gz MBNDARFOYRBDMZ-UHFFFAOYSA-N 1 1 281.312 1.725 10 5 CDBEMO Cc1nn(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853586465 756144499 /nfs/dbraw/zinc/14/44/99/756144499.db2.gz SDGSAXSERWJKKR-RYUDHWBXSA-N 1 1 280.328 1.334 10 5 CDBEMO Cc1nn(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853586465 756144504 /nfs/dbraw/zinc/14/45/04/756144504.db2.gz SDGSAXSERWJKKR-RYUDHWBXSA-N 1 1 280.328 1.334 10 5 CDBEMO Cc1nn(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c(C)c1[N+](=O)[O-] ZINC000853566395 756197798 /nfs/dbraw/zinc/19/77/98/756197798.db2.gz OOMRAOZETUEGOK-WCQYABFASA-N 1 1 280.328 1.334 10 5 CDBEMO Cc1nn(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c(C)c1[N+](=O)[O-] ZINC000853566395 756197804 /nfs/dbraw/zinc/19/78/04/756197804.db2.gz OOMRAOZETUEGOK-WCQYABFASA-N 1 1 280.328 1.334 10 5 CDBEMO COC[C@](C)(CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000716974134 757818540 /nfs/dbraw/zinc/81/85/40/757818540.db2.gz XBYYSVLHSMIKKO-LBPRGKRZSA-N 1 1 288.731 1.735 10 5 CDBEMO C[C@H]([NH2+]C[C@H]1CCCS1(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000126885798 757982952 /nfs/dbraw/zinc/98/29/52/757982952.db2.gz JBCCDTCZIDLFHW-WDEREUQCSA-N 1 1 298.364 1.823 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000712613262 909569465 /nfs/dbraw/zinc/56/94/65/909569465.db2.gz GJCDREFKSILCCL-JTQLQIEISA-N 1 1 250.302 1.804 10 5 CDBEMO Nc1[nH+]ccc2c1CN(c1ccncc1[N+](=O)[O-])CC2 ZINC001187870606 920733282 /nfs/dbraw/zinc/73/32/82/920733282.db2.gz DSDOTDBWIVSTBB-UHFFFAOYSA-N 1 1 271.280 1.530 10 5 CDBEMO CC(C)N1CC[NH+](CCCn2cnc([N+](=O)[O-])c2)CC1 ZINC001188574973 921099489 /nfs/dbraw/zinc/09/94/89/921099489.db2.gz OMEKGCNEMXODAW-UHFFFAOYSA-N 1 1 281.360 1.207 10 5 CDBEMO Cc1[nH+]ccn1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001141983092 936960981 /nfs/dbraw/zinc/96/09/81/936960981.db2.gz WHTKBCFMIFBEQU-UHFFFAOYSA-N 1 1 274.280 1.416 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+](C)[C@H](CO)C1 ZINC000828724970 926172223 /nfs/dbraw/zinc/17/22/23/926172223.db2.gz OCGBSMBFMMIIGI-OCCSQVGLSA-N 1 1 293.367 1.573 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000828724970 926172228 /nfs/dbraw/zinc/17/22/28/926172228.db2.gz OCGBSMBFMMIIGI-OCCSQVGLSA-N 1 1 293.367 1.573 10 5 CDBEMO CC(C)(CCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[N+](=O)[O-] ZINC001523988499 970786071 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1.988 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556894424 965116933 /nfs/dbraw/zinc/11/69/33/965116933.db2.gz GYJRHOYLEKOMEN-LLVKDONJSA-N 1 1 292.339 1.988 10 5 CDBEMO C[C@H]1C[N@@H+](CCCNc2nn(C)cc2[N+](=O)[O-])CCCO1 ZINC001472755793 970693046 /nfs/dbraw/zinc/69/30/46/970693046.db2.gz KGWPRBHFNWJBOK-NSHDSACASA-N 1 1 297.359 1.241 10 5 CDBEMO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1C ZINC001655870691 1171734082 /nfs/dbraw/zinc/73/40/82/1171734082.db2.gz PBRJUOMSYPAEBL-KCJUWKMLSA-N 1 1 278.312 1.198 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011092 342519799 /nfs/dbraw/zinc/51/97/99/342519799.db2.gz HKUMDWYKWZKUJT-TZMCWYRMSA-N 1 1 261.325 1.731 10 5 CDBEMO C[N@@H+]1C[C@H]2CCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590053115 342521206 /nfs/dbraw/zinc/52/12/06/342521206.db2.gz YGISFJFDMBHFLO-QMTHXVAHSA-N 1 1 277.324 1.436 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590053115 342521207 /nfs/dbraw/zinc/52/12/07/342521207.db2.gz YGISFJFDMBHFLO-QMTHXVAHSA-N 1 1 277.324 1.436 10 5 CDBEMO C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)C[C@H](C)[N@@H+]1C ZINC000590146310 342522952 /nfs/dbraw/zinc/52/29/52/342522952.db2.gz WRZYZONTKQNASZ-AOOOYVTPSA-N 1 1 294.355 1.198 10 5 CDBEMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC23CCCC3)c1 ZINC000593000336 342752952 /nfs/dbraw/zinc/75/29/52/342752952.db2.gz MMKQQDXQBCBSFN-LBPRGKRZSA-N 1 1 280.328 1.171 10 5 CDBEMO C[NH2+]C[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593725925 342829192 /nfs/dbraw/zinc/82/91/92/342829192.db2.gz ZMRASTKFYMOHFK-SNVBAGLBSA-N 1 1 265.313 1.342 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000595539311 343093124 /nfs/dbraw/zinc/09/31/24/343093124.db2.gz KVWQUGQJQXQLQQ-CYBMUJFWSA-N 1 1 284.287 1.053 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000595539311 343093125 /nfs/dbraw/zinc/09/31/25/343093125.db2.gz KVWQUGQJQXQLQQ-CYBMUJFWSA-N 1 1 284.287 1.053 10 5 CDBEMO COCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000078377723 342336282 /nfs/dbraw/zinc/33/62/82/342336282.db2.gz IDEOFDDTSNDVSS-UHFFFAOYSA-N 1 1 280.328 1.148 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000598040226 343703342 /nfs/dbraw/zinc/70/33/42/343703342.db2.gz FBOTYVKPLARMLW-SNVBAGLBSA-N 1 1 280.328 1.479 10 5 CDBEMO Cc1c(CC(=O)N[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000610969997 346559313 /nfs/dbraw/zinc/55/93/13/346559313.db2.gz FCOUVGGZWLNSJC-ZDUSSCGKSA-N 1 1 291.351 1.656 10 5 CDBEMO C[C@@H](O)C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000105824141 186073725 /nfs/dbraw/zinc/07/37/25/186073725.db2.gz MLHHJNBCTSRHEY-WDEREUQCSA-N 1 1 299.396 1.543 10 5 CDBEMO CCOCC[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000105830893 186076644 /nfs/dbraw/zinc/07/66/44/186076644.db2.gz ROLCFEGTTGFHNH-UHFFFAOYSA-N 1 1 299.396 1.810 10 5 CDBEMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000107824103 186194426 /nfs/dbraw/zinc/19/44/26/186194426.db2.gz IKBBWKDZJNEBDI-LLVKDONJSA-N 1 1 294.307 1.598 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000107824103 186194427 /nfs/dbraw/zinc/19/44/27/186194427.db2.gz IKBBWKDZJNEBDI-LLVKDONJSA-N 1 1 294.307 1.598 10 5 CDBEMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271801440 191334980 /nfs/dbraw/zinc/33/49/80/191334980.db2.gz MLCNVOZKJADXNL-GXFFZTMASA-N 1 1 277.324 1.866 10 5 CDBEMO CC(C)CNc1nc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000097673571 356232783 /nfs/dbraw/zinc/23/27/83/356232783.db2.gz QYDOBIPAJOTGFE-UHFFFAOYSA-N 1 1 293.371 1.810 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401498194 356247762 /nfs/dbraw/zinc/24/77/62/356247762.db2.gz MGOJLLFTXFEGEQ-ZWNOBZJWSA-N 1 1 280.324 1.806 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401498194 356247767 /nfs/dbraw/zinc/24/77/67/356247767.db2.gz MGOJLLFTXFEGEQ-ZWNOBZJWSA-N 1 1 280.324 1.806 10 5 CDBEMO Cc1c(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)cccc1[N+](=O)[O-] ZINC000331164386 356999587 /nfs/dbraw/zinc/99/95/87/356999587.db2.gz LVQVNGUBHXODLG-DOMZBBRYSA-N 1 1 294.351 1.875 10 5 CDBEMO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000361577586 358327980 /nfs/dbraw/zinc/32/79/80/358327980.db2.gz LOGIZTMUHNQDDD-QMTHXVAHSA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000361577586 358327982 /nfs/dbraw/zinc/32/79/82/358327982.db2.gz LOGIZTMUHNQDDD-QMTHXVAHSA-N 1 1 298.314 1.706 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000176244332 358750582 /nfs/dbraw/zinc/75/05/82/358750582.db2.gz SRGHILNYTLBKAL-LBPRGKRZSA-N 1 1 290.327 1.742 10 5 CDBEMO Cc1nc(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297108875 200087851 /nfs/dbraw/zinc/08/78/51/200087851.db2.gz LQYZIFDSCJAHLE-GXSJLCMTSA-N 1 1 279.344 1.612 10 5 CDBEMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302042514 201315959 /nfs/dbraw/zinc/31/59/59/201315959.db2.gz OCKSZSAMDOVCEP-CYBMUJFWSA-N 1 1 293.367 1.865 10 5 CDBEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000177314470 364803383 /nfs/dbraw/zinc/80/33/83/364803383.db2.gz YVAFYHVNXIXFQZ-NSHDSACASA-N 1 1 295.314 1.948 10 5 CDBEMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000377562825 374607203 /nfs/dbraw/zinc/60/72/03/374607203.db2.gz KVZUZVCKUQRSMJ-NSHDSACASA-N 1 1 299.277 1.203 10 5 CDBEMO COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352768972 375536300 /nfs/dbraw/zinc/53/63/00/375536300.db2.gz LEYRVMKUHNIMFR-CABZTGNLSA-N 1 1 266.297 1.416 10 5 CDBEMO CC(C)[N@H+](C)C[C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000357588453 378365000 /nfs/dbraw/zinc/36/50/00/378365000.db2.gz YMBOAYOVPDJANX-JTQLQIEISA-N 1 1 292.343 1.200 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000344219220 379330325 /nfs/dbraw/zinc/33/03/25/379330325.db2.gz NTIVUBAOMQJBSH-GWCFXTLKSA-N 1 1 279.340 1.643 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000344219220 379330330 /nfs/dbraw/zinc/33/03/30/379330330.db2.gz NTIVUBAOMQJBSH-GWCFXTLKSA-N 1 1 279.340 1.643 10 5 CDBEMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000450379968 251254012 /nfs/dbraw/zinc/25/40/12/251254012.db2.gz QNLJUUQLKPOPKT-CABZTGNLSA-N 1 1 262.313 1.884 10 5 CDBEMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000453011438 252250234 /nfs/dbraw/zinc/25/02/34/252250234.db2.gz HVPGLJUSUWGOMX-HIFRSBDPSA-N 1 1 292.335 1.819 10 5 CDBEMO O=[N+]([O-])c1cnc(N[C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000367907080 285181597 /nfs/dbraw/zinc/18/15/97/285181597.db2.gz OBAIJXLDKLNJOE-ZCFIWIBFSA-N 1 1 265.298 1.744 10 5 CDBEMO O=[N+]([O-])c1cnc(N[C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000367907080 285181598 /nfs/dbraw/zinc/18/15/98/285181598.db2.gz OBAIJXLDKLNJOE-ZCFIWIBFSA-N 1 1 265.298 1.744 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C3CC3)CC2)n1 ZINC000408172395 391459215 /nfs/dbraw/zinc/45/92/15/391459215.db2.gz VVOWAYYAVLMSBZ-UHFFFAOYSA-N 1 1 276.340 1.891 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000264796902 391493539 /nfs/dbraw/zinc/49/35/39/391493539.db2.gz BQCDHHSEIBINCI-GFCCVEGCSA-N 1 1 276.340 1.973 10 5 CDBEMO CC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352407935 155167603 /nfs/dbraw/zinc/16/76/03/155167603.db2.gz WMHNVNTWEMZJTG-UHFFFAOYSA-N 1 1 254.286 1.418 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299901714 149126157 /nfs/dbraw/zinc/12/61/57/149126157.db2.gz DLURSQGTLKRXPO-ZWNOBZJWSA-N 1 1 280.324 1.806 10 5 CDBEMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299901714 149126158 /nfs/dbraw/zinc/12/61/58/149126158.db2.gz DLURSQGTLKRXPO-ZWNOBZJWSA-N 1 1 280.324 1.806 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000352535914 155255547 /nfs/dbraw/zinc/25/55/47/155255547.db2.gz XDYJLOMWFBHCQJ-CYBMUJFWSA-N 1 1 266.297 1.560 10 5 CDBEMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352541078 155258672 /nfs/dbraw/zinc/25/86/72/155258672.db2.gz TXWPLAKHTBLFQZ-JTQLQIEISA-N 1 1 295.339 1.417 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000285217790 292288523 /nfs/dbraw/zinc/28/85/23/292288523.db2.gz XLIPMFREMHUKQD-CABCVRRESA-N 1 1 291.351 1.813 10 5 CDBEMO CC[N@H+]1CCC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000040503167 174300190 /nfs/dbraw/zinc/30/01/90/174300190.db2.gz OGXGQQDHEQVXMF-VIFPVBQESA-N 1 1 253.306 1.225 10 5 CDBEMO C[N@H+]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CC(=O)N3)C1 ZINC000040673369 174372477 /nfs/dbraw/zinc/37/24/77/174372477.db2.gz XSWIKZVKCGLTJD-JTQLQIEISA-N 1 1 290.323 1.596 10 5 CDBEMO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(N)=O ZINC000040675009 174373541 /nfs/dbraw/zinc/37/35/41/174373541.db2.gz KCUCQCQCYMPHQT-UHFFFAOYSA-N 1 1 255.249 1.087 10 5 CDBEMO CN(Cc1ccc(N)c([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071191102 176068104 /nfs/dbraw/zinc/06/81/04/176068104.db2.gz LDWXHMSLVPSQPJ-LBPRGKRZSA-N 1 1 278.356 1.561 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000360970512 281260412 /nfs/dbraw/zinc/26/04/12/281260412.db2.gz RGBQQHCOEGXEGE-LBPRGKRZSA-N 1 1 277.324 1.424 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000360970512 281260417 /nfs/dbraw/zinc/26/04/17/281260417.db2.gz RGBQQHCOEGXEGE-LBPRGKRZSA-N 1 1 277.324 1.424 10 5 CDBEMO C[C@@]1(C(N)=O)CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000185911977 289155238 /nfs/dbraw/zinc/15/52/38/289155238.db2.gz FDVWRUCGERONSR-HNNXBMFYSA-N 1 1 291.351 1.867 10 5 CDBEMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000155740181 289249471 /nfs/dbraw/zinc/24/94/71/289249471.db2.gz OUGONEATPLIYLW-TXEJJXNPSA-N 1 1 291.351 1.688 10 5 CDBEMO CC[N@@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816653 521136304 /nfs/dbraw/zinc/13/63/04/521136304.db2.gz AUZKTFMVWVNEEU-UHFFFAOYSA-N 1 1 253.302 1.645 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])Cc1cccc([N+](=O)[O-])c1C ZINC000069553765 521259894 /nfs/dbraw/zinc/25/98/94/521259894.db2.gz FYHBCPVSLGORIX-SNVBAGLBSA-N 1 1 252.270 1.336 10 5 CDBEMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(N)ccc1[N+](=O)[O-] ZINC000050699705 521637357 /nfs/dbraw/zinc/63/73/57/521637357.db2.gz DMOMAHPZWHPLNU-LLVKDONJSA-N 1 1 292.339 1.391 10 5 CDBEMO CCC[N@@H+](CCO)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815776 521667179 /nfs/dbraw/zinc/66/71/79/521667179.db2.gz NBWVLPAKQBFNES-UHFFFAOYSA-N 1 1 253.302 1.381 10 5 CDBEMO CNc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000050770084 522641355 /nfs/dbraw/zinc/64/13/55/522641355.db2.gz WGUSTSVYUHGKBE-SNVBAGLBSA-N 1 1 292.339 1.318 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](C)CC1 ZINC000050812380 522644548 /nfs/dbraw/zinc/64/45/48/522644548.db2.gz NNEDRZVTDGNUPG-UHFFFAOYSA-N 1 1 278.356 1.774 10 5 CDBEMO C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000299903646 524514393 /nfs/dbraw/zinc/51/43/93/524514393.db2.gz 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O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCC2)nc1 ZINC000599163115 343972237 /nfs/dbraw/zinc/97/22/37/343972237.db2.gz AZXKHFMBHAUTBB-LLVKDONJSA-N 1 1 277.328 1.236 10 5 CDBEMO Cc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000599638084 344110074 /nfs/dbraw/zinc/11/00/74/344110074.db2.gz MHGZVUMMELYMBK-GXFFZTMASA-N 1 1 281.312 1.486 10 5 CDBEMO Cc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1[N+](=O)[O-] ZINC000599638084 344110079 /nfs/dbraw/zinc/11/00/79/344110079.db2.gz MHGZVUMMELYMBK-GXFFZTMASA-N 1 1 281.312 1.486 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CCCOC1)CC2 ZINC000542545490 362458408 /nfs/dbraw/zinc/45/84/08/362458408.db2.gz QTQDMXYBQKQZBI-LLVKDONJSA-N 1 1 277.324 1.775 10 5 CDBEMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000384893405 366216663 /nfs/dbraw/zinc/21/66/63/366216663.db2.gz LLPQLJFKSDZINR-GWCFXTLKSA-N 1 1 250.298 1.940 10 5 CDBEMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187977786 357225210 /nfs/dbraw/zinc/22/52/10/357225210.db2.gz YBRTYFSPGPBWDS-DGCLKSJQSA-N 1 1 282.344 1.274 10 5 CDBEMO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000361577585 358328043 /nfs/dbraw/zinc/32/80/43/358328043.db2.gz LOGIZTMUHNQDDD-IINYFYTJSA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000361577585 358328044 /nfs/dbraw/zinc/32/80/44/358328044.db2.gz LOGIZTMUHNQDDD-IINYFYTJSA-N 1 1 298.314 1.706 10 5 CDBEMO Cc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000294929994 199256018 /nfs/dbraw/zinc/25/60/18/199256018.db2.gz ZIPYCZUNNMXBAQ-LBPRGKRZSA-N 1 1 266.297 1.096 10 5 CDBEMO Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000294929994 199256019 /nfs/dbraw/zinc/25/60/19/199256019.db2.gz ZIPYCZUNNMXBAQ-LBPRGKRZSA-N 1 1 266.297 1.096 10 5 CDBEMO Cc1sc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000271913298 367036239 /nfs/dbraw/zinc/03/62/39/367036239.db2.gz JAZPCYXCJWERQZ-UHFFFAOYSA-N 1 1 295.364 1.956 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000295488405 370399878 /nfs/dbraw/zinc/39/98/78/370399878.db2.gz GVEDYSOBLMOIAM-GWCFXTLKSA-N 1 1 266.297 1.349 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@@H](O)C1 ZINC000295488405 370399882 /nfs/dbraw/zinc/39/98/82/370399882.db2.gz GVEDYSOBLMOIAM-GWCFXTLKSA-N 1 1 266.297 1.349 10 5 CDBEMO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000368010648 371367258 /nfs/dbraw/zinc/36/72/58/371367258.db2.gz UGKPKURNQGVCSI-ZETCQYMHSA-N 1 1 291.279 1.335 10 5 CDBEMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531878642 374513583 /nfs/dbraw/zinc/51/35/83/374513583.db2.gz WLAYNOYGUUWFRB-NSHDSACASA-N 1 1 292.339 1.594 10 5 CDBEMO CNC(=O)CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352769586 375537185 /nfs/dbraw/zinc/53/71/85/375537185.db2.gz NPADXEDFIMMRID-UHFFFAOYSA-N 1 1 295.339 1.561 10 5 CDBEMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000281173939 195134682 /nfs/dbraw/zinc/13/46/82/195134682.db2.gz QXMGYFRRTNBKCH-HNNXBMFYSA-N 1 1 291.351 1.861 10 5 CDBEMO CC[C@H](CO)[NH+]1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000128024188 390815398 /nfs/dbraw/zinc/81/53/98/390815398.db2.gz CSTRDEJYISRCKT-GFCCVEGCSA-N 1 1 294.355 1.191 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368011314 391249664 /nfs/dbraw/zinc/24/96/64/391249664.db2.gz XKVMENTYJUPPCG-LLVKDONJSA-N 1 1 299.277 1.582 10 5 CDBEMO CNC(=O)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000183671263 391292677 /nfs/dbraw/zinc/29/26/77/391292677.db2.gz ZJVGODOLAOKWEU-GFCCVEGCSA-N 1 1 283.303 1.594 10 5 CDBEMO Cc1cnc(N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000266177672 391477102 /nfs/dbraw/zinc/47/71/02/391477102.db2.gz BBGSCVGGVSJJQE-LLVKDONJSA-N 1 1 262.313 1.583 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCCC[C@@H]2CCO)n1 ZINC000342076635 130238728 /nfs/dbraw/zinc/23/87/28/130238728.db2.gz YJCLQHHYWNIFGY-GFCCVEGCSA-N 1 1 282.344 1.418 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCc1cn[nH]c1)CC2 ZINC000459390002 392429324 /nfs/dbraw/zinc/42/93/24/392429324.db2.gz ASQORWQFSWRSEH-UHFFFAOYSA-N 1 1 273.296 1.314 10 5 CDBEMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000422038792 392950769 /nfs/dbraw/zinc/95/07/69/392950769.db2.gz QPZMJGZRNFQUON-SNVBAGLBSA-N 1 1 293.323 1.467 10 5 CDBEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286008774 393039551 /nfs/dbraw/zinc/03/95/51/393039551.db2.gz HZARCFASCHABQY-UWVGGRQHSA-N 1 1 293.327 1.017 10 5 CDBEMO CC[N@@H+](CCC(=O)OC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352425759 155180866 /nfs/dbraw/zinc/18/08/66/155180866.db2.gz NEYJVNWWJHMVDE-UHFFFAOYSA-N 1 1 296.323 1.988 10 5 CDBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000343592726 152236502 /nfs/dbraw/zinc/23/65/02/152236502.db2.gz VLXMAGTXUTWGLQ-AOOOYVTPSA-N 1 1 295.343 1.311 10 5 CDBEMO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343592726 152236504 /nfs/dbraw/zinc/23/65/04/152236504.db2.gz VLXMAGTXUTWGLQ-AOOOYVTPSA-N 1 1 295.343 1.311 10 5 CDBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000343592726 152236505 /nfs/dbraw/zinc/23/65/05/152236505.db2.gz VLXMAGTXUTWGLQ-AOOOYVTPSA-N 1 1 295.343 1.311 10 5 CDBEMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352732311 155397281 /nfs/dbraw/zinc/39/72/81/155397281.db2.gz YXSWWSFZDINVAC-NSHDSACASA-N 1 1 295.314 1.964 10 5 CDBEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352246963 155053576 /nfs/dbraw/zinc/05/35/76/155053576.db2.gz UUUFGDXANXLYDV-AOOOYVTPSA-N 1 1 295.343 1.311 10 5 CDBEMO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)[C@@H]1CC1[N+](=O)[O-] ZINC000373254385 160186651 /nfs/dbraw/zinc/18/66/51/160186651.db2.gz FKOHRFHPNRMGOE-BXUZGUMPSA-N 1 1 287.319 1.768 10 5 CDBEMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000038107494 174121483 /nfs/dbraw/zinc/12/14/83/174121483.db2.gz SXAPPFLWYAMKBP-NSHDSACASA-N 1 1 293.298 1.654 10 5 CDBEMO C[N@H+]1CCCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000044563174 175206705 /nfs/dbraw/zinc/20/67/05/175206705.db2.gz OQCPVJIVEZFCTP-NSHDSACASA-N 1 1 292.339 1.590 10 5 CDBEMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000246365594 280274582 /nfs/dbraw/zinc/27/45/82/280274582.db2.gz YQWJQLMHUHJPRC-JTQLQIEISA-N 1 1 282.731 1.928 10 5 CDBEMO COc1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@H](C)O)CC1 ZINC000576241239 317104555 /nfs/dbraw/zinc/10/45/55/317104555.db2.gz UTBSDYZRLCHFHZ-NSHDSACASA-N 1 1 295.339 1.106 10 5 CDBEMO CC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050816764 519529643 /nfs/dbraw/zinc/52/96/43/519529643.db2.gz XMOHDDKNMJDITE-UHFFFAOYSA-N 1 1 292.339 1.231 10 5 CDBEMO CC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050816764 519529652 /nfs/dbraw/zinc/52/96/52/519529652.db2.gz XMOHDDKNMJDITE-UHFFFAOYSA-N 1 1 292.339 1.231 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157333826 521623661 /nfs/dbraw/zinc/62/36/61/521623661.db2.gz IMBRDHVKZUJXSO-SNVBAGLBSA-N 1 1 292.339 1.391 10 5 CDBEMO Cc1c(NC2CC[NH+](CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000062723769 525868532 /nfs/dbraw/zinc/86/85/32/525868532.db2.gz DYKJSSJPOJJUHY-UHFFFAOYSA-N 1 1 292.339 1.265 10 5 CDBEMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191797587 529343224 /nfs/dbraw/zinc/34/32/24/529343224.db2.gz MTGRDLLRZWZLQG-SNVBAGLBSA-N 1 1 297.359 1.271 10 5 CDBEMO [NH3+][C@@H]1C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000925598993 617542786 /nfs/dbraw/zinc/54/27/86/617542786.db2.gz VRPFVFBVEHRCND-KGLIPLIRSA-N 1 1 291.351 1.833 10 5 CDBEMO CC(C)(CCC(=O)N[C@H]1CCC[N@H+](CCF)C1)[N+](=O)[O-] ZINC000898504938 621770451 /nfs/dbraw/zinc/77/04/51/621770451.db2.gz UXHCGJQCJZBYJF-NSHDSACASA-N 1 1 289.351 1.372 10 5 CDBEMO CC(C)(CCC(=O)N[C@H]1CCC[N@@H+](CCF)C1)[N+](=O)[O-] ZINC000898504938 621770453 /nfs/dbraw/zinc/77/04/53/621770453.db2.gz UXHCGJQCJZBYJF-NSHDSACASA-N 1 1 289.351 1.372 10 5 CDBEMO CC(C)(C)CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001268541627 1159966527 /nfs/dbraw/zinc/96/65/27/1159966527.db2.gz LFFHKOXFMFDLAB-IJWDBEHRSA-N 1 1 297.399 1.740 10 5 CDBEMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC001620588881 1165660370 /nfs/dbraw/zinc/66/03/70/1165660370.db2.gz JLWISKZVWVONQR-DGCLKSJQSA-N 1 1 295.295 1.848 10 5 CDBEMO C[NH+](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)c1ccccc1 ZINC001634599547 1166517928 /nfs/dbraw/zinc/51/79/28/1166517928.db2.gz IDFOGQQWJKJIEO-GFCCVEGCSA-N 1 1 289.295 1.559 10 5 CDBEMO CC[N@@H+](CC[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC001641976212 1167149037 /nfs/dbraw/zinc/14/90/37/1167149037.db2.gz GMNRVLSHJIFHGS-CQSZACIVSA-N 1 1 266.341 1.843 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+]2C)n1 ZINC000231668139 1178174732 /nfs/dbraw/zinc/17/47/32/1178174732.db2.gz VHZQDNZTEHFCDY-SECBINFHSA-N 1 1 253.306 1.225 10 5 CDBEMO CC(C)=CC[NH2+]CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001733099708 1183290273 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COCC[N@@H+](CCF)CCOc1ccccc1[N+](=O)[O-] ZINC000852483419 774494632 /nfs/dbraw/zinc/49/46/32/774494632.db2.gz IKJQLVADVSQDLN-UHFFFAOYSA-N 1 1 286.303 1.892 10 5 CDBEMO Cc1ccnc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000866206268 774809857 /nfs/dbraw/zinc/80/98/57/774809857.db2.gz RGNDWSCSOBKMOR-NEPJUHHUSA-N 1 1 276.340 1.829 10 5 CDBEMO CC1(C)[C@@H](O)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000812868229 775868732 /nfs/dbraw/zinc/86/87/32/775868732.db2.gz UGQPIXJEFJLGBE-STQMWFEESA-N 1 1 280.324 1.473 10 5 CDBEMO C[C@@H]1C[C@H](CO)CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000860087303 776108878 /nfs/dbraw/zinc/10/88/78/776108878.db2.gz DJSAYELUQJQPHR-JMSVASOKSA-N 1 1 294.351 1.721 10 5 CDBEMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000860130456 777562571 /nfs/dbraw/zinc/56/25/71/777562571.db2.gz AYTFYOHJLLKZJF-ZGKBOVNRSA-N 1 1 292.335 1.473 10 5 CDBEMO Cc1nn(C[N@@H+](C(C)C)[C@H]2CCOC2)c(C)c1[N+](=O)[O-] ZINC000812290951 778304441 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COc1cc(NCC(F)(F)C[NH3+])c([N+](=O)[O-])cc1F ZINC000162658835 392038488 /nfs/dbraw/zinc/03/84/88/392038488.db2.gz AERAFLCIRGTRJR-UHFFFAOYSA-N 1 1 279.218 1.748 10 5 CDBEMO Cc1ccc(C[NH+]2CC(CCO)C2)cc1[N+](=O)[O-] ZINC000459592817 392487531 /nfs/dbraw/zinc/48/75/31/392487531.db2.gz OAONRXFRANHDRS-UHFFFAOYSA-N 1 1 250.298 1.717 10 5 CDBEMO Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000284969392 393193905 /nfs/dbraw/zinc/19/39/05/393193905.db2.gz KOMXRQXCIOOHHD-OLZOCXBDSA-N 1 1 292.339 1.208 10 5 CDBEMO COc1cc(C[N@@H+](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000305834176 149171562 /nfs/dbraw/zinc/17/15/62/149171562.db2.gz OZRJMFFTFJTZKV-SECBINFHSA-N 1 1 254.286 1.416 10 5 CDBEMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000078738730 177379241 /nfs/dbraw/zinc/37/92/41/177379241.db2.gz XXYCJPRZCLOOTB-UHFFFAOYSA-N 1 1 295.339 1.626 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000408104397 274334338 /nfs/dbraw/zinc/33/43/38/274334338.db2.gz PUXVABWFDWJVLP-MRVPVSSYSA-N 1 1 293.352 1.740 10 5 CDBEMO CN(c1ncc([N+](=O)[O-])s1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000443511182 277004422 /nfs/dbraw/zinc/00/44/22/277004422.db2.gz PJBNDGYWVBKAJJ-SECBINFHSA-N 1 1 268.342 1.724 10 5 CDBEMO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000185894700 280151897 /nfs/dbraw/zinc/15/18/97/280151897.db2.gz JXYNZGWAJUJKFM-CQSZACIVSA-N 1 1 277.324 1.825 10 5 CDBEMO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000185894700 280151899 /nfs/dbraw/zinc/15/18/99/280151899.db2.gz JXYNZGWAJUJKFM-CQSZACIVSA-N 1 1 277.324 1.825 10 5 CDBEMO CCOCC[C@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000555974691 290249567 /nfs/dbraw/zinc/24/95/67/290249567.db2.gz LHODDAWBJRMGSS-ZDUSSCGKSA-N 1 1 294.351 1.740 10 5 CDBEMO CCCc1[nH]nc(C(=O)N2CCC([NH2+]C)CC2)c1[N+](=O)[O-] ZINC000236883875 521327127 /nfs/dbraw/zinc/32/71/27/521327127.db2.gz SHGZRJUWYVJUJN-UHFFFAOYSA-N 1 1 295.343 1.094 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1cc([N+](=O)[O-])ccc1Cl ZINC000069508191 523912542 /nfs/dbraw/zinc/91/25/42/523912542.db2.gz LPEINNFYPIQUSS-SECBINFHSA-N 1 1 288.687 1.517 10 5 CDBEMO C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000050709103 523966237 /nfs/dbraw/zinc/96/62/37/523966237.db2.gz NFJMCBBVLHZYGG-MRVPVSSYSA-N 1 1 298.730 1.264 10 5 CDBEMO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1CCCO ZINC000052763195 527504430 /nfs/dbraw/zinc/50/44/30/527504430.db2.gz QDLMGUVLOGILPB-GFCCVEGCSA-N 1 1 279.340 1.914 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747823029 574508834 /nfs/dbraw/zinc/50/88/34/574508834.db2.gz GRHQHRMFZXNSEJ-VXGBXAGGSA-N 1 1 280.328 1.497 10 5 CDBEMO O=[N+]([O-])c1ccnn1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000747823029 574508835 /nfs/dbraw/zinc/50/88/35/574508835.db2.gz GRHQHRMFZXNSEJ-VXGBXAGGSA-N 1 1 280.328 1.497 10 5 CDBEMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000760896581 576522462 /nfs/dbraw/zinc/52/24/62/576522462.db2.gz OINCEECHDYCYON-KGLIPLIRSA-N 1 1 280.324 1.739 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928458419 619122115 /nfs/dbraw/zinc/12/21/15/619122115.db2.gz VZXBCNZBBDSBGL-SSRJJFIRSA-N 1 1 289.335 1.817 10 5 CDBEMO CN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696723 1158770064 /nfs/dbraw/zinc/77/00/64/1158770064.db2.gz PWEWAGBCZSGWDW-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO Cc1cnc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001613022625 1165529274 /nfs/dbraw/zinc/52/92/74/1165529274.db2.gz GNZIDRIAJYDZSU-QWRGUYRKSA-N 1 1 280.303 1.531 10 5 CDBEMO Cc1cnc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001613022625 1165529280 /nfs/dbraw/zinc/52/92/80/1165529280.db2.gz GNZIDRIAJYDZSU-QWRGUYRKSA-N 1 1 280.303 1.531 10 5 CDBEMO O=[N+]([O-])CC[N@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001655559773 1171704499 /nfs/dbraw/zinc/70/44/99/1171704499.db2.gz GMEBOCXOMXNDLY-UONOGXRCSA-N 1 1 262.309 1.163 10 5 CDBEMO Cc1[nH+]ccn1CCCC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001595858964 1174218770 /nfs/dbraw/zinc/21/87/70/1174218770.db2.gz QIOPZPOLBPGGSJ-UHFFFAOYSA-N 1 1 278.272 1.242 10 5 CDBEMO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872076223 782304712 /nfs/dbraw/zinc/30/47/12/782304712.db2.gz JRXIFZJXLUGDBG-BCMRRPTOSA-N 1 1 270.260 1.144 10 5 CDBEMO COC(OC)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000079608774 782821401 /nfs/dbraw/zinc/82/14/01/782821401.db2.gz XMUULSNKIBGMRC-SECBINFHSA-N 1 1 254.286 1.692 10 5 CDBEMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000812879994 783035118 /nfs/dbraw/zinc/03/51/18/783035118.db2.gz YJCHOZNUTRKIPV-KGLIPLIRSA-N 1 1 280.324 1.739 10 5 CDBEMO C[N@@H+](Cc1cnccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591524 780238016 /nfs/dbraw/zinc/23/80/16/780238016.db2.gz ISQVRQOWTQOTPW-AWEZNQCLSA-N 1 1 288.307 1.550 10 5 CDBEMO C[N@H+](Cc1cnccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591524 780238022 /nfs/dbraw/zinc/23/80/22/780238022.db2.gz ISQVRQOWTQOTPW-AWEZNQCLSA-N 1 1 288.307 1.550 10 5 CDBEMO Cc1csc(CC2(O)CC[NH+](CC[N+](=O)[O-])CC2)n1 ZINC000930987311 781178902 /nfs/dbraw/zinc/17/89/02/781178902.db2.gz WRLGFFCKWPCNOI-UHFFFAOYSA-N 1 1 285.369 1.098 10 5 CDBEMO O=[N+]([O-])CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000930813586 781384162 /nfs/dbraw/zinc/38/41/62/781384162.db2.gz IUTOGAAHFOLYNJ-HNNXBMFYSA-N 1 1 278.352 1.926 10 5 CDBEMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000866195491 781810193 /nfs/dbraw/zinc/81/01/93/781810193.db2.gz VYHCVHCGGSNPSS-CYBMUJFWSA-N 1 1 285.307 1.983 10 5 CDBEMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000866195491 781810198 /nfs/dbraw/zinc/81/01/98/781810198.db2.gz VYHCVHCGGSNPSS-CYBMUJFWSA-N 1 1 285.307 1.983 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865185602 783342039 /nfs/dbraw/zinc/34/20/39/783342039.db2.gz YNYMKLWYNPJDKD-NSHDSACASA-N 1 1 295.314 1.487 10 5 CDBEMO O=C1OC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]12 ZINC001175112668 913450338 /nfs/dbraw/zinc/45/03/38/913450338.db2.gz UALVHXDSMCNTQU-ONGXEEELSA-N 1 1 280.255 1.339 10 5 CDBEMO O=C1OC[C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]12 ZINC001175112668 913450344 /nfs/dbraw/zinc/45/03/44/913450344.db2.gz UALVHXDSMCNTQU-ONGXEEELSA-N 1 1 280.255 1.339 10 5 CDBEMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)CCO1 ZINC001176971092 914410520 /nfs/dbraw/zinc/41/05/20/914410520.db2.gz IHVLWZXWIRIRSU-VXGBXAGGSA-N 1 1 295.339 1.256 10 5 CDBEMO CC/C=C\CC[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001481624207 901499260 /nfs/dbraw/zinc/49/92/60/901499260.db2.gz PGACIBCLUYOOBZ-FGTRRKKMSA-N 1 1 281.356 1.056 10 5 CDBEMO CN(CC[N@@H+](C)CCO)c1c(Cl)cncc1[N+](=O)[O-] ZINC000691354067 920106221 /nfs/dbraw/zinc/10/62/21/920106221.db2.gz DPMYFQAQZYREEW-UHFFFAOYSA-N 1 1 288.735 1.004 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C2CCCC2)n1 ZINC001187241916 920424284 /nfs/dbraw/zinc/42/42/84/920424284.db2.gz CINMPAMBCGNZIZ-LLVKDONJSA-N 1 1 279.344 1.757 10 5 CDBEMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001649395375 1169247292 /nfs/dbraw/zinc/24/72/92/1169247292.db2.gz OXOPNHAYCRSQMZ-LLVKDONJSA-N 1 1 292.339 1.512 10 5 CDBEMO C[C@@H]1CCOCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605057 927822438 /nfs/dbraw/zinc/82/24/38/927822438.db2.gz IMCBNIVHHKMYSF-RISCZKNCSA-N 1 1 280.324 1.739 10 5 CDBEMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC3(COC3)C2)cc1 ZINC000852683663 927841804 /nfs/dbraw/zinc/84/18/04/927841804.db2.gz OXMTVOZKSOWFNE-ZDUSSCGKSA-N 1 1 278.308 1.351 10 5 CDBEMO C[C@H]1CC[N@H+](CC[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000930809950 933452307 /nfs/dbraw/zinc/45/23/07/933452307.db2.gz MIQIZTARCGBGTA-QWRGUYRKSA-N 1 1 272.345 1.563 10 5 CDBEMO C[C@H]1CC[N@@H+](CC[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000930809950 933452312 /nfs/dbraw/zinc/45/23/12/933452312.db2.gz MIQIZTARCGBGTA-QWRGUYRKSA-N 1 1 272.345 1.563 10 5 CDBEMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000933750013 933854056 /nfs/dbraw/zinc/85/40/56/933854056.db2.gz VDUJZVWASGXBEY-WFASDCNBSA-N 1 1 289.335 1.682 10 5 CDBEMO O=C(NCC1([NH2+]CC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001277055695 941883700 /nfs/dbraw/zinc/88/37/00/941883700.db2.gz SZYGUEYRLFLDHK-VXGBXAGGSA-N 1 1 281.356 1.080 10 5 CDBEMO C[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001558463085 965290869 /nfs/dbraw/zinc/29/08/69/965290869.db2.gz RUEFVMRTGKXDES-SNVBAGLBSA-N 1 1 297.742 1.611 10 5 CDBEMO Cc1nc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001472894107 970723630 /nfs/dbraw/zinc/72/36/30/970723630.db2.gz MMLFPFOREUPBIN-QWRGUYRKSA-N 1 1 280.303 1.531 10 5 CDBEMO Cc1nc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001472894107 970723634 /nfs/dbraw/zinc/72/36/34/970723634.db2.gz MMLFPFOREUPBIN-QWRGUYRKSA-N 1 1 280.303 1.531 10 5 CDBEMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+](C)CC1 ZINC000601098814 342463862 /nfs/dbraw/zinc/46/38/62/342463862.db2.gz GTBQBPDWOZQAGH-UHFFFAOYSA-N 1 1 293.249 1.099 10 5 CDBEMO COCC[N@H+]1CCCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601104906 342466616 /nfs/dbraw/zinc/46/66/16/342466616.db2.gz LQNKAWZOBXZWMQ-UHFFFAOYSA-N 1 1 298.318 1.287 10 5 CDBEMO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000601170704 342485911 /nfs/dbraw/zinc/48/59/11/342485911.db2.gz VDWCSXIKRAZORG-NSHDSACASA-N 1 1 298.318 1.388 10 5 CDBEMO Cc1c(CN2C[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000601325442 342553491 /nfs/dbraw/zinc/55/34/91/342553491.db2.gz CJEBDZOJDOMZQS-MFKMUULPSA-N 1 1 263.341 1.930 10 5 CDBEMO CC[N@H+]1CCC[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000590684400 342582703 /nfs/dbraw/zinc/58/27/03/342582703.db2.gz RWZUXIDWZCJGHR-LBPRGKRZSA-N 1 1 294.355 1.566 10 5 CDBEMO COCC[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615626 346828779 /nfs/dbraw/zinc/82/87/79/346828779.db2.gz PEWRLAOGQPGLTM-UHFFFAOYSA-N 1 1 294.355 1.375 10 5 CDBEMO CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C)C1 ZINC000592829689 342741258 /nfs/dbraw/zinc/74/12/58/342741258.db2.gz VLXRPOKKCIXQQJ-GFCCVEGCSA-N 1 1 292.339 1.546 10 5 CDBEMO CCS(=O)(=O)C1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000594994408 342994919 /nfs/dbraw/zinc/99/49/19/342994919.db2.gz UVVABTGUVYNVCL-UHFFFAOYSA-N 1 1 298.364 1.652 10 5 CDBEMO Cc1noc(C[NH2+][C@@H]2CCOC2(C)C)c1[N+](=O)[O-] ZINC000595535491 343092127 /nfs/dbraw/zinc/09/21/27/343092127.db2.gz ZLEYRLSZLVTCIX-SECBINFHSA-N 1 1 255.274 1.548 10 5 CDBEMO CC[N@H+]1CCC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596088545 343233539 /nfs/dbraw/zinc/23/35/39/343233539.db2.gz UDTJPSRSTZDTOF-VIFPVBQESA-N 1 1 266.301 1.592 10 5 CDBEMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000596365213 343305506 /nfs/dbraw/zinc/30/55/06/343305506.db2.gz WSQMJKFIIZMHJP-NSHDSACASA-N 1 1 298.391 1.012 10 5 CDBEMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1c([N+](=O)[O-])ncn1C ZINC000596365213 343305507 /nfs/dbraw/zinc/30/55/07/343305507.db2.gz WSQMJKFIIZMHJP-NSHDSACASA-N 1 1 298.391 1.012 10 5 CDBEMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncccc1[N+](=O)[O-] ZINC000596359373 343310127 /nfs/dbraw/zinc/31/01/27/343310127.db2.gz BJZZQOAUNIJYGE-LBPRGKRZSA-N 1 1 295.387 1.674 10 5 CDBEMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncccc1[N+](=O)[O-] ZINC000596359373 343310129 /nfs/dbraw/zinc/31/01/29/343310129.db2.gz BJZZQOAUNIJYGE-LBPRGKRZSA-N 1 1 295.387 1.674 10 5 CDBEMO CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597945981 343675317 /nfs/dbraw/zinc/67/53/17/343675317.db2.gz LOLQDFCDVINSEQ-GFCCVEGCSA-N 1 1 295.314 1.900 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[NH+](CCCF)CC2)c(F)c1 ZINC000599093369 343952630 /nfs/dbraw/zinc/95/26/30/343952630.db2.gz PMSLODIHOQPBAY-UHFFFAOYSA-N 1 1 286.282 1.611 10 5 CDBEMO [NH3+]CC(F)(F)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000515664558 362956210 /nfs/dbraw/zinc/95/62/10/362956210.db2.gz NRHJRNTUIBDDTC-UHFFFAOYSA-N 1 1 287.266 1.238 10 5 CDBEMO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000384893408 366217105 /nfs/dbraw/zinc/21/71/05/366217105.db2.gz LLPQLJFKSDZINR-MFKMUULPSA-N 1 1 250.298 1.940 10 5 CDBEMO COc1cc(C[N@H+](C)CC2(CO)CC2)c([N+](=O)[O-])cc1F ZINC000186827590 357697033 /nfs/dbraw/zinc/69/70/33/357697033.db2.gz GYFHSYNFAPHZAE-UHFFFAOYSA-N 1 1 298.314 1.947 10 5 CDBEMO COc1cc(C[N@@H+](C)CC2(CO)CC2)c([N+](=O)[O-])cc1F ZINC000186827590 357697035 /nfs/dbraw/zinc/69/70/35/357697035.db2.gz GYFHSYNFAPHZAE-UHFFFAOYSA-N 1 1 298.314 1.947 10 5 CDBEMO CC[N@@H+]1CCO[C@H](CNc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000135242582 357806037 /nfs/dbraw/zinc/80/60/37/357806037.db2.gz PAGADUJDGQYUCH-GFCCVEGCSA-N 1 1 295.339 1.736 10 5 CDBEMO CC[N@H+]1CCO[C@H](CNc2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000135242582 357806038 /nfs/dbraw/zinc/80/60/38/357806038.db2.gz PAGADUJDGQYUCH-GFCCVEGCSA-N 1 1 295.339 1.736 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC(C)(C)C1 ZINC000408260957 358741357 /nfs/dbraw/zinc/74/13/57/358741357.db2.gz ZGFMFUUUCUWEJY-UHFFFAOYSA-N 1 1 252.318 1.950 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC(C)(C)C1 ZINC000408260957 358741361 /nfs/dbraw/zinc/74/13/61/358741361.db2.gz 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1.817 10 5 CDBEMO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000185894718 140048511 /nfs/dbraw/zinc/04/85/11/140048511.db2.gz JXYNZGWAJUJKFM-AWEZNQCLSA-N 1 1 277.324 1.825 10 5 CDBEMO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000185894718 140048512 /nfs/dbraw/zinc/04/85/12/140048512.db2.gz JXYNZGWAJUJKFM-AWEZNQCLSA-N 1 1 277.324 1.825 10 5 CDBEMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000399284623 397652239 /nfs/dbraw/zinc/65/22/39/397652239.db2.gz KEFIEYOFWJHDCD-ZWNOBZJWSA-N 1 1 250.298 1.940 10 5 CDBEMO CCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000305857079 149175128 /nfs/dbraw/zinc/17/51/28/149175128.db2.gz WTPCQMWXYYYIKL-UHFFFAOYSA-N 1 1 268.313 1.808 10 5 CDBEMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352732309 155398198 /nfs/dbraw/zinc/39/81/98/155398198.db2.gz YXSWWSFZDINVAC-LLVKDONJSA-N 1 1 295.314 1.964 10 5 CDBEMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000362016728 159040353 /nfs/dbraw/zinc/04/03/53/159040353.db2.gz BBEMKXZJAYGVFI-UHFFFAOYSA-N 1 1 286.353 1.630 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371829151 160055441 /nfs/dbraw/zinc/05/54/41/160055441.db2.gz QUHBQLMVNRTZKG-SWLSCSKDSA-N 1 1 291.351 1.672 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000371829151 160055443 /nfs/dbraw/zinc/05/54/43/160055443.db2.gz QUHBQLMVNRTZKG-SWLSCSKDSA-N 1 1 291.351 1.672 10 5 CDBEMO Cc1nn(C)c(N[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000040673476 174372440 /nfs/dbraw/zinc/37/24/40/174372440.db2.gz MXJLWGPKWNMYGZ-VIFPVBQESA-N 1 1 253.306 1.143 10 5 CDBEMO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000401525245 270376721 /nfs/dbraw/zinc/37/67/21/270376721.db2.gz FGFICQSZJDBUHB-BXKDBHETSA-N 1 1 268.288 1.937 10 5 CDBEMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000401525245 270376723 /nfs/dbraw/zinc/37/67/23/270376723.db2.gz FGFICQSZJDBUHB-BXKDBHETSA-N 1 1 268.288 1.937 10 5 CDBEMO CN(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc[nH+]1 ZINC000532397895 281975877 /nfs/dbraw/zinc/97/58/77/281975877.db2.gz SABAZTMVYHROSD-UHFFFAOYSA-N 1 1 287.279 1.703 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000583712615 325227621 /nfs/dbraw/zinc/22/76/21/325227621.db2.gz NUJZQIRWMITHPE-LBPRGKRZSA-N 1 1 293.371 1.264 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000583712615 325227623 /nfs/dbraw/zinc/22/76/23/325227623.db2.gz NUJZQIRWMITHPE-LBPRGKRZSA-N 1 1 293.371 1.264 10 5 CDBEMO O=C(NC/C=C/C[NH2+]Cc1ccsc1)[C@@H]1CC1[N+](=O)[O-] ZINC001268542014 1159967350 /nfs/dbraw/zinc/96/73/50/1159967350.db2.gz NTUZPPUNJASSNH-NUYITTKVSA-N 1 1 295.364 1.175 10 5 CDBEMO CC(C)[N@H+](CCOCCO)Cc1csc([N+](=O)[O-])c1 ZINC000338592099 519650116 /nfs/dbraw/zinc/65/01/16/519650116.db2.gz XZDJIFVOJUJBIJ-UHFFFAOYSA-N 1 1 288.369 1.876 10 5 CDBEMO CC(C)[N@@H+](CCOCCO)Cc1csc([N+](=O)[O-])c1 ZINC000338592099 519650118 /nfs/dbraw/zinc/65/01/18/519650118.db2.gz 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Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928563249 619393111 /nfs/dbraw/zinc/39/31/11/619393111.db2.gz OYXVZPLECSBKIE-NSHDSACASA-N 1 1 263.297 1.337 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928563249 619393117 /nfs/dbraw/zinc/39/31/17/619393117.db2.gz OYXVZPLECSBKIE-NSHDSACASA-N 1 1 263.297 1.337 10 5 CDBEMO C[C@@H]1CC[N@@H+](CC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001629133968 1166117142 /nfs/dbraw/zinc/11/71/42/1166117142.db2.gz PWJUGVZZBOMEDI-LLVKDONJSA-N 1 1 289.335 1.779 10 5 CDBEMO CC(C)(O)[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001653554173 1171550436 /nfs/dbraw/zinc/55/04/36/1171550436.db2.gz UILCPEGZSJRDRM-CYBMUJFWSA-N 1 1 280.324 1.085 10 5 CDBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1=NOCC1 ZINC001654425535 1171612342 /nfs/dbraw/zinc/61/23/42/1171612342.db2.gz WWFSZEJEWNFPMH-UHFFFAOYSA-N 1 1 263.297 1.845 10 5 CDBEMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1=NOCC1 ZINC001654425535 1171612340 /nfs/dbraw/zinc/61/23/40/1171612340.db2.gz 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CC(C)N(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001486368047 920946605 /nfs/dbraw/zinc/94/66/05/920946605.db2.gz HTQAPAATHZBYBB-CHWSQXEVSA-N 1 1 283.372 1.230 10 5 CDBEMO CC(C)N(CC[N@@H+](C)CC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001486368047 920946618 /nfs/dbraw/zinc/94/66/18/920946618.db2.gz HTQAPAATHZBYBB-CHWSQXEVSA-N 1 1 283.372 1.230 10 5 CDBEMO Cc1nn(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853586464 928050259 /nfs/dbraw/zinc/05/02/59/928050259.db2.gz SDGSAXSERWJKKR-NWDGAFQWSA-N 1 1 280.328 1.334 10 5 CDBEMO Cc1nn(C[N@H+]2CC[C@H]3COC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000853586464 928050272 /nfs/dbraw/zinc/05/02/72/928050272.db2.gz SDGSAXSERWJKKR-NWDGAFQWSA-N 1 1 280.328 1.334 10 5 CDBEMO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCC3(COC3)C2)c1 ZINC000853594491 928055657 /nfs/dbraw/zinc/05/56/57/928055657.db2.gz FWFQFFWNERWJSP-UHFFFAOYSA-N 1 1 288.307 1.624 10 5 CDBEMO CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@@H+](CC)C1 ZINC000855487477 928425779 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COC(=O)[C@@](C)([NH3+])C[C@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC000068650861 523818842 /nfs/dbraw/zinc/81/88/42/523818842.db2.gz OLRXCNYQQHPLOR-ZANVPECISA-N 1 1 282.296 1.643 10 5 CDBEMO COC(=O)[C@H]([NH3+])CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000062595970 523912299 /nfs/dbraw/zinc/91/22/99/523912299.db2.gz KNOGIIIPZPNRRC-MRVPVSSYSA-N 1 1 272.232 1.003 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000183311437 525563723 /nfs/dbraw/zinc/56/37/23/525563723.db2.gz BQYAELDEVWNVKD-UHFFFAOYSA-N 1 1 292.339 1.490 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(C(N)=O)CC1 ZINC000183311437 525563732 /nfs/dbraw/zinc/56/37/32/525563732.db2.gz BQYAELDEVWNVKD-UHFFFAOYSA-N 1 1 292.339 1.490 10 5 CDBEMO O=[N+]([O-])c1ccc(-n2ncc(C[NH2+]C3CC3)n2)cc1 ZINC000051174775 527344368 /nfs/dbraw/zinc/34/43/68/527344368.db2.gz OXCUNJHFPWRUFT-UHFFFAOYSA-N 1 1 259.269 1.428 10 5 CDBEMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000183632303 527457975 /nfs/dbraw/zinc/45/79/75/527457975.db2.gz CGIFAAJQHONKLZ-SNVBAGLBSA-N 1 1 291.311 1.302 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000789566094 1162094931 /nfs/dbraw/zinc/09/49/31/1162094931.db2.gz OLOLYQPGGIOXEZ-LBPRGKRZSA-N 1 1 266.301 1.251 10 5 CDBEMO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000789566094 1162094934 /nfs/dbraw/zinc/09/49/34/1162094934.db2.gz OLOLYQPGGIOXEZ-LBPRGKRZSA-N 1 1 266.301 1.251 10 5 CDBEMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001611481663 1165497162 /nfs/dbraw/zinc/49/71/62/1165497162.db2.gz KQRUUEDWLKEXAH-JTQLQIEISA-N 1 1 294.355 1.637 10 5 CDBEMO CC[N@@H+]1CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001624841927 1165869532 /nfs/dbraw/zinc/86/95/32/1165869532.db2.gz LHMLTRAXMTWNMY-GFCCVEGCSA-N 1 1 263.297 1.305 10 5 CDBEMO CC[N@H+]1CC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001624841927 1165869536 /nfs/dbraw/zinc/86/95/36/1165869536.db2.gz LHMLTRAXMTWNMY-GFCCVEGCSA-N 1 1 263.297 1.305 10 5 CDBEMO C[C@H]1C[C@@H](Nc2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000231669966 1178174971 /nfs/dbraw/zinc/17/49/71/1178174971.db2.gz KSVBWJIRWWUAMV-IUCAKERBSA-N 1 1 253.306 1.223 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1F ZINC000123198696 784350170 /nfs/dbraw/zinc/35/01/70/784350170.db2.gz ZSPCWXDMVZBKEK-JTQLQIEISA-N 1 1 268.288 1.938 10 5 CDBEMO COc1cc(NC[C@H]2CC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000712551173 784835575 /nfs/dbraw/zinc/83/55/75/784835575.db2.gz XDVUZKPXTSKWSD-MRVPVSSYSA-N 1 1 269.276 1.859 10 5 CDBEMO COc1cc(NC[C@H]2CC[N@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000712551173 784835576 /nfs/dbraw/zinc/83/55/76/784835576.db2.gz XDVUZKPXTSKWSD-MRVPVSSYSA-N 1 1 269.276 1.859 10 5 CDBEMO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796575449 786022156 /nfs/dbraw/zinc/02/21/56/786022156.db2.gz PBGJXCVLMQVXLN-MFKMUULPSA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000796575449 786022161 /nfs/dbraw/zinc/02/21/61/786022161.db2.gz PBGJXCVLMQVXLN-MFKMUULPSA-N 1 1 298.314 1.706 10 5 CDBEMO COC(=O)N(C)CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000852570382 787875886 /nfs/dbraw/zinc/87/58/86/787875886.db2.gz BFTAJRXPGMLVMZ-UHFFFAOYSA-N 1 1 281.312 1.725 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000712618229 788971727 /nfs/dbraw/zinc/97/17/27/788971727.db2.gz VSRHLMYCGATVRW-JTQLQIEISA-N 1 1 250.302 1.804 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000862546168 789249326 /nfs/dbraw/zinc/24/93/26/789249326.db2.gz HNTKOEUFHJCZHU-DGCLKSJQSA-N 1 1 276.292 1.508 10 5 CDBEMO C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC001642736382 1167194515 /nfs/dbraw/zinc/19/45/15/1167194515.db2.gz BDMJRDUEQXSIBL-SNVBAGLBSA-N 1 1 279.344 1.249 10 5 CDBEMO CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001274333541 931491554 /nfs/dbraw/zinc/49/15/54/931491554.db2.gz VJCISCFASGDYFP-CHWSQXEVSA-N 1 1 297.399 1.813 10 5 CDBEMO CN1C(=O)C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC001119850796 937760043 /nfs/dbraw/zinc/76/00/43/937760043.db2.gz CFNSVVYJPJBGHY-DGCLKSJQSA-N 1 1 297.742 1.478 10 5 CDBEMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801516060 935995511 /nfs/dbraw/zinc/99/55/11/935995511.db2.gz RNLXCROQLRRDLQ-LLVKDONJSA-N 1 1 295.314 1.964 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC001559924766 960841413 /nfs/dbraw/zinc/84/14/13/960841413.db2.gz BTVMBEKEGBTEAE-GFCCVEGCSA-N 1 1 280.328 1.171 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001472893286 970721483 /nfs/dbraw/zinc/72/14/83/970721483.db2.gz YOTDYZRSSOETAP-RISCZKNCSA-N 1 1 293.371 1.508 10 5 CDBEMO CCC(=O)N(C)CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001496647999 973010834 /nfs/dbraw/zinc/01/08/34/973010834.db2.gz YKNFIMSHEUDVLK-UHFFFAOYSA-N 1 1 279.340 1.895 10 5 CDBEMO CCC(=O)N(C)CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001496647999 973010846 /nfs/dbraw/zinc/01/08/46/973010846.db2.gz YKNFIMSHEUDVLK-UHFFFAOYSA-N 1 1 279.340 1.895 10 5 CDBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCn3nccc3C2)cc1 ZINC001654338408 1171606987 /nfs/dbraw/zinc/60/69/87/1171606987.db2.gz LNRPFBGDWMTMEO-UHFFFAOYSA-N 1 1 272.308 1.850 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333900 342554942 /nfs/dbraw/zinc/55/49/42/342554942.db2.gz IFHNGXGTQDECEG-SMDDNHRTSA-N 1 1 291.351 1.874 10 5 CDBEMO CCC[C@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727053 342829839 /nfs/dbraw/zinc/82/98/39/342829839.db2.gz BHWRNQRAWHCPQP-LBPRGKRZSA-N 1 1 279.340 1.874 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc3n(n2)CCCC3)c1 ZINC000594497016 342914095 /nfs/dbraw/zinc/91/40/95/342914095.db2.gz ARWOOJQAVJDRFV-UHFFFAOYSA-N 1 1 290.327 1.114 10 5 CDBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595306005 343031334 /nfs/dbraw/zinc/03/13/34/343031334.db2.gz FXJMVGRIJYMXKB-GXSJLCMTSA-N 1 1 295.314 1.820 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000595327284 343036393 /nfs/dbraw/zinc/03/63/93/343036393.db2.gz OHSWORJOXRXCGM-SNVBAGLBSA-N 1 1 268.288 1.938 10 5 CDBEMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000596363484 343311142 /nfs/dbraw/zinc/31/11/42/343311142.db2.gz HILVVTGIMDYFGN-NSHDSACASA-N 1 1 296.375 1.069 10 5 CDBEMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncc([N+](=O)[O-])cn1 ZINC000596363484 343311143 /nfs/dbraw/zinc/31/11/43/343311143.db2.gz HILVVTGIMDYFGN-NSHDSACASA-N 1 1 296.375 1.069 10 5 CDBEMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295043537 199317408 /nfs/dbraw/zinc/31/74/08/199317408.db2.gz FBDKVNHHWVTSLU-CABCVRRESA-N 1 1 291.351 1.500 10 5 CDBEMO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000599053633 343946016 /nfs/dbraw/zinc/94/60/16/343946016.db2.gz FQAAWCTZRXEAMI-ZWNOBZJWSA-N 1 1 290.323 1.713 10 5 CDBEMO CN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000598968168 343931274 /nfs/dbraw/zinc/93/12/74/343931274.db2.gz UPCQUFSXUWETRF-LLVKDONJSA-N 1 1 281.360 1.254 10 5 CDBEMO Cc1noc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000599624370 344098146 /nfs/dbraw/zinc/09/81/46/344098146.db2.gz CYXUWHQFIRNZIQ-CNABLZDZSA-N 1 1 269.301 1.793 10 5 CDBEMO C[N@H+]1CCC[C@@H]2CN(c3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC000610808038 346443968 /nfs/dbraw/zinc/44/39/68/346443968.db2.gz XPLTVMBIHQXSKH-NEPJUHHUSA-N 1 1 276.340 1.910 10 5 CDBEMO CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611088185 346602960 /nfs/dbraw/zinc/60/29/60/346602960.db2.gz IOQOYDRIEXZZJG-JTQLQIEISA-N 1 1 278.312 1.156 10 5 CDBEMO CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611088185 346602963 /nfs/dbraw/zinc/60/29/63/346602963.db2.gz IOQOYDRIEXZZJG-JTQLQIEISA-N 1 1 278.312 1.156 10 5 CDBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@@H+]1CCO ZINC000614530007 348136294 /nfs/dbraw/zinc/13/62/94/348136294.db2.gz XRKALEROJDXMEE-SECBINFHSA-N 1 1 271.342 1.159 10 5 CDBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@H+]1CCO ZINC000614530007 348136296 /nfs/dbraw/zinc/13/62/96/348136296.db2.gz XRKALEROJDXMEE-SECBINFHSA-N 1 1 271.342 1.159 10 5 CDBEMO CN(C)C(=O)C1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000411908827 363375989 /nfs/dbraw/zinc/37/59/89/363375989.db2.gz DXCMIXRJGKBBJQ-UHFFFAOYSA-N 1 1 297.742 1.959 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](O)C1(C)C ZINC000361403084 358174915 /nfs/dbraw/zinc/17/49/15/358174915.db2.gz MDAURBOTRVIPPU-CYBMUJFWSA-N 1 1 280.324 1.949 10 5 CDBEMO Cc1ccc(C[N@H+](CCO)CCn2ccc([N+](=O)[O-])n2)o1 ZINC000361529815 358269923 /nfs/dbraw/zinc/26/99/23/358269923.db2.gz GVHDOZUIIIYAQX-UHFFFAOYSA-N 1 1 294.311 1.187 10 5 CDBEMO Cc1ccc(C[N@@H+](CCO)CCn2ccc([N+](=O)[O-])n2)o1 ZINC000361529815 358269926 /nfs/dbraw/zinc/26/99/26/358269926.db2.gz GVHDOZUIIIYAQX-UHFFFAOYSA-N 1 1 294.311 1.187 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001660658581 1172252912 /nfs/dbraw/zinc/25/29/12/1172252912.db2.gz UBDODDNYXMQLBW-CYBMUJFWSA-N 1 1 250.298 1.247 10 5 CDBEMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000053637208 370526801 /nfs/dbraw/zinc/52/68/01/370526801.db2.gz NOVQDTPVDMLVEB-UHFFFAOYSA-N 1 1 292.339 1.466 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285112566 541890211 /nfs/dbraw/zinc/89/02/11/541890211.db2.gz RBRXFHXZZRNXKL-QWHCGFSZSA-N 1 1 292.339 1.208 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356845572 374010137 /nfs/dbraw/zinc/01/01/37/374010137.db2.gz HMXRJTYFYZNRMT-WDEREUQCSA-N 1 1 292.339 1.463 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000356845572 374010143 /nfs/dbraw/zinc/01/01/43/374010143.db2.gz HMXRJTYFYZNRMT-WDEREUQCSA-N 1 1 292.339 1.463 10 5 CDBEMO CCc1nn(C)c(N[C@@H]2CCC[N@H+](CC)C2)c1[N+](=O)[O-] ZINC000091559454 374041736 /nfs/dbraw/zinc/04/17/36/374041736.db2.gz XBJQTUYKKGIHEP-SNVBAGLBSA-N 1 1 281.360 1.787 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000298725522 374081832 /nfs/dbraw/zinc/08/18/32/374081832.db2.gz MVJLFHWBCFYWPE-LLVKDONJSA-N 1 1 294.307 1.469 10 5 CDBEMO Cc1ccc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301645362 374162180 /nfs/dbraw/zinc/16/21/80/374162180.db2.gz HQXZEGQPCAGCJM-KBPBESRZSA-N 1 1 277.324 1.422 10 5 CDBEMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000531883425 374514436 /nfs/dbraw/zinc/51/44/36/374514436.db2.gz XZLUUCUCTQQHFC-QWRGUYRKSA-N 1 1 292.339 1.545 10 5 CDBEMO NC(=O)C[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000330979278 374876518 /nfs/dbraw/zinc/87/65/18/374876518.db2.gz GGXAEUZTLHCRRB-SNVBAGLBSA-N 1 1 281.316 1.571 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000280700276 375014084 /nfs/dbraw/zinc/01/40/84/375014084.db2.gz IIYBTEZLEUCHCN-IINYFYTJSA-N 1 1 277.324 1.853 10 5 CDBEMO CC[N@H+]1CCC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000194633164 378448413 /nfs/dbraw/zinc/44/84/13/378448413.db2.gz OXTJHVLFPVVTCL-CYBMUJFWSA-N 1 1 291.351 1.738 10 5 CDBEMO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](CCCO)CC1 ZINC000270304873 285077090 /nfs/dbraw/zinc/07/70/90/285077090.db2.gz RBRYMKFZJTVTIW-UHFFFAOYSA-N 1 1 283.303 1.238 10 5 CDBEMO CC(C)[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000432843005 390491430 /nfs/dbraw/zinc/49/14/30/390491430.db2.gz NBLAYSMYYNXUJV-ZDUSSCGKSA-N 1 1 265.313 1.365 10 5 CDBEMO CC(C)[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000432843005 390491433 /nfs/dbraw/zinc/49/14/33/390491433.db2.gz NBLAYSMYYNXUJV-ZDUSSCGKSA-N 1 1 265.313 1.365 10 5 CDBEMO Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000419008300 392883492 /nfs/dbraw/zinc/88/34/92/392883492.db2.gz TWKAQAYWLIDVTL-VXGBXAGGSA-N 1 1 294.355 1.190 10 5 CDBEMO CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000246127751 277240168 /nfs/dbraw/zinc/24/01/68/277240168.db2.gz DVRVJOPHHAEXGU-WDEREUQCSA-N 1 1 279.340 1.970 10 5 CDBEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000248841064 280386062 /nfs/dbraw/zinc/38/60/62/280386062.db2.gz POZFDZUIHVHHPG-JGPRNRPPSA-N 1 1 268.317 1.025 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000471705288 281014595 /nfs/dbraw/zinc/01/45/95/281014595.db2.gz JAQJNHZBVAEHHM-ZIAGYGMSSA-N 1 1 277.324 1.422 10 5 CDBEMO CCC[N@H+](CCN(C)C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816470 521657383 /nfs/dbraw/zinc/65/73/83/521657383.db2.gz SCYHVJJJPFZTFA-UHFFFAOYSA-N 1 1 280.372 1.951 10 5 CDBEMO CCC[N@@H+](CCN(C)C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050816470 521657385 /nfs/dbraw/zinc/65/73/85/521657385.db2.gz SCYHVJJJPFZTFA-UHFFFAOYSA-N 1 1 280.372 1.951 10 5 CDBEMO CCNc1ccc(C[N@@H+](C)C[C@H](O)COC)cc1[N+](=O)[O-] ZINC000050817902 520298346 /nfs/dbraw/zinc/29/83/46/520298346.db2.gz CXURDIYERFOABC-LBPRGKRZSA-N 1 1 297.355 1.466 10 5 CDBEMO Cc1ccc(NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000068806758 525281488 /nfs/dbraw/zinc/28/14/88/525281488.db2.gz XTLRBENVKTXHFJ-ZDUSSCGKSA-N 1 1 278.356 1.561 10 5 CDBEMO Cc1ccc(NC[C@H]2CN(C)CC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000068806758 525281502 /nfs/dbraw/zinc/28/15/02/525281502.db2.gz XTLRBENVKTXHFJ-ZDUSSCGKSA-N 1 1 278.356 1.561 10 5 CDBEMO Cc1ccc(NC[C@H]2CN(C)CC[N@H+]2C)cc1[N+](=O)[O-] ZINC000068806758 525281510 /nfs/dbraw/zinc/28/15/10/525281510.db2.gz XTLRBENVKTXHFJ-ZDUSSCGKSA-N 1 1 278.356 1.561 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187744525 526077233 /nfs/dbraw/zinc/07/72/33/526077233.db2.gz HLZZQRKQDOWEJC-OLZOCXBDSA-N 1 1 293.367 1.654 10 5 CDBEMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928557369 619369688 /nfs/dbraw/zinc/36/96/88/619369688.db2.gz FPFDUTQERMTSCI-MARXPDLDSA-N 1 1 289.335 1.818 10 5 CDBEMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C(C)(C)C ZINC000912030836 629725982 /nfs/dbraw/zinc/72/59/82/629725982.db2.gz JIOQNSNHOLRELE-LLVKDONJSA-N 1 1 294.355 1.725 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC001640539841 1167034528 /nfs/dbraw/zinc/03/45/28/1167034528.db2.gz PLSOGMGYSYKROI-IVZWLZJFSA-N 1 1 265.317 1.080 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001643157835 1167231048 /nfs/dbraw/zinc/23/10/48/1167231048.db2.gz IBCATUUAJDFWEP-RISCZKNCSA-N 1 1 291.351 1.739 10 5 CDBEMO Cc1cc(N2CC([NH2+]C3COC3)C2)c(F)cc1[N+](=O)[O-] ZINC001655890039 1171736463 /nfs/dbraw/zinc/73/64/63/1171736463.db2.gz OFTXRDHSBLUUAQ-UHFFFAOYSA-N 1 1 281.287 1.219 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC001597647635 1174283784 /nfs/dbraw/zinc/28/37/84/1174283784.db2.gz VZHDESMZKPFMTC-JTQLQIEISA-N 1 1 290.323 1.265 10 5 CDBEMO CC/C=C/CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715820270 1179845293 /nfs/dbraw/zinc/84/52/93/1179845293.db2.gz VERADQUSAFJFEV-FBVTZJDUSA-N 1 1 283.372 1.398 10 5 CDBEMO CC/C=C/CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715820270 1179845305 /nfs/dbraw/zinc/84/53/05/1179845305.db2.gz VERADQUSAFJFEV-FBVTZJDUSA-N 1 1 283.372 1.398 10 5 CDBEMO CC/C=C/CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001715820270 1179845316 /nfs/dbraw/zinc/84/53/16/1179845316.db2.gz VERADQUSAFJFEV-FBVTZJDUSA-N 1 1 283.372 1.398 10 5 CDBEMO [NH3+]C1(c2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOCC1 ZINC000131873280 790313413 /nfs/dbraw/zinc/31/34/13/790313413.db2.gz FCWIYJBTCDFNPR-UHFFFAOYSA-N 1 1 290.279 1.609 10 5 CDBEMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1CO ZINC000248949614 790404317 /nfs/dbraw/zinc/40/43/17/790404317.db2.gz PKYLOFOIRHWWLR-RNCFNFMXSA-N 1 1 268.288 1.937 10 5 CDBEMO Cc1ccnc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000719623764 790607957 /nfs/dbraw/zinc/60/79/57/790607957.db2.gz JLZHEBMDNKRWKW-VHSXEESVSA-N 1 1 250.302 1.803 10 5 CDBEMO COc1ncncc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865786738 789933544 /nfs/dbraw/zinc/93/35/44/789933544.db2.gz ADTRRCYBSFFLKC-UHFFFAOYSA-N 1 1 288.307 1.992 10 5 CDBEMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801556080 791221453 /nfs/dbraw/zinc/22/14/53/791221453.db2.gz VYYVILLYKVVNAG-GXFFZTMASA-N 1 1 298.314 1.706 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285112568 792283938 /nfs/dbraw/zinc/28/39/38/792283938.db2.gz RBRXFHXZZRNXKL-STQMWFEESA-N 1 1 292.339 1.208 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@H]21 ZINC000866210250 793373141 /nfs/dbraw/zinc/37/31/41/793373141.db2.gz ZZXLGGJNCCNZGR-RKDXNWHRSA-N 1 1 268.342 1.582 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000930992884 793551265 /nfs/dbraw/zinc/55/12/65/793551265.db2.gz FNQYODLPUBZCHN-QJPTWQEYSA-N 1 1 270.329 1.317 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cccc(F)c1[N+](=O)[O-] ZINC000842046910 794547983 /nfs/dbraw/zinc/54/79/83/794547983.db2.gz IDXUTSXLPAFUBY-QWRGUYRKSA-N 1 1 297.330 1.625 10 5 CDBEMO CC[NH2+]Cc1noc(-c2cc([N+](=O)[O-])cnc2C)n1 ZINC000843145865 794776180 /nfs/dbraw/zinc/77/61/80/794776180.db2.gz YENDHSOWLCLODW-UHFFFAOYSA-N 1 1 263.257 1.458 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(COC3)C2)c([N+](=O)[O-])c1 ZINC000852683586 796126013 /nfs/dbraw/zinc/12/60/13/796126013.db2.gz LHOUHJRLXPBCCI-UHFFFAOYSA-N 1 1 293.279 1.725 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(COC3)C2)c([N+](=O)[O-])c1 ZINC000852683586 796126027 /nfs/dbraw/zinc/12/60/27/796126027.db2.gz LHOUHJRLXPBCCI-UHFFFAOYSA-N 1 1 293.279 1.725 10 5 CDBEMO CCN(CC[NH2+]CCC(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001568741759 1169459251 /nfs/dbraw/zinc/45/92/51/1169459251.db2.gz GTDVDZFEOLJOTN-VXGBXAGGSA-N 1 1 271.361 1.136 10 5 CDBEMO CC1(C)CC(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001321058268 959566084 /nfs/dbraw/zinc/56/60/84/959566084.db2.gz WMXBDYYFAXBCTN-FGTRRKKMSA-N 1 1 295.383 1.350 10 5 CDBEMO C[N@H+]1CC[C@@H]2CN(c3ccncc3[N+](=O)[O-])CC[C@H]21 ZINC001348546424 966052508 /nfs/dbraw/zinc/05/25/08/966052508.db2.gz HIPYOUBPMMAUCI-GHMZBOCLSA-N 1 1 262.313 1.520 10 5 CDBEMO O=C1OCC[C@]12CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001460970227 969580325 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CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000170856068 361907665 /nfs/dbraw/zinc/90/76/65/361907665.db2.gz YVGWMXUNTQAXBW-VIFPVBQESA-N 1 1 296.302 1.140 10 5 CDBEMO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000593728079 342829854 /nfs/dbraw/zinc/82/98/54/342829854.db2.gz ZEBSGRCLXMFQMR-UWVGGRQHSA-N 1 1 265.313 1.483 10 5 CDBEMO CC[N@@H+]1CCO[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401213319 349712159 /nfs/dbraw/zinc/71/21/59/349712159.db2.gz OSSRIKNUMFMHPJ-JTQLQIEISA-N 1 1 284.291 1.262 10 5 CDBEMO CC[N@H+]1CCO[C@@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401213319 349712161 /nfs/dbraw/zinc/71/21/61/349712161.db2.gz OSSRIKNUMFMHPJ-JTQLQIEISA-N 1 1 284.291 1.262 10 5 CDBEMO C[C@]12COC[C@H]1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595756524 343141965 /nfs/dbraw/zinc/14/19/65/343141965.db2.gz GRFHMRMZQRAHDC-DOMZBBRYSA-N 1 1 292.335 1.942 10 5 CDBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000595833873 343169869 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C[N@H+]1CCO[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000153179025 283036754 /nfs/dbraw/zinc/03/67/54/283036754.db2.gz SQBYKOVOQCVLBU-RYUDHWBXSA-N 1 1 281.287 1.253 10 5 CDBEMO Cc1cccc([N+](=O)[O-])c1OC[C@@H](O)C[N@H+](C)C1CC1 ZINC000336829755 356289091 /nfs/dbraw/zinc/28/90/91/356289091.db2.gz AVZCPASFXBHYKH-LBPRGKRZSA-N 1 1 280.324 1.737 10 5 CDBEMO C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])cn2)CC[N@H+]1C ZINC000273580226 192214756 /nfs/dbraw/zinc/21/47/56/192214756.db2.gz FOOJALLGLMNGTQ-VHSXEESVSA-N 1 1 265.317 1.304 10 5 CDBEMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000361577584 358328062 /nfs/dbraw/zinc/32/80/62/358328062.db2.gz LOGIZTMUHNQDDD-HZMBPMFUSA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000361577584 358328063 /nfs/dbraw/zinc/32/80/63/358328063.db2.gz LOGIZTMUHNQDDD-HZMBPMFUSA-N 1 1 298.314 1.706 10 5 CDBEMO C[C@@H]1C[C@H](Nc2ccncc2[N+](=O)[O-])CC[N@H+]1C ZINC000090794998 368132386 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O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000272540998 363533441 /nfs/dbraw/zinc/53/34/41/363533441.db2.gz NVEODVHRTYNFCN-LLVKDONJSA-N 1 1 291.307 1.221 10 5 CDBEMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000272540998 363533445 /nfs/dbraw/zinc/53/34/45/363533445.db2.gz NVEODVHRTYNFCN-LLVKDONJSA-N 1 1 291.307 1.221 10 5 CDBEMO C[C@@H]1C[C@@H](Nc2ccncc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000361062455 357790835 /nfs/dbraw/zinc/79/08/35/357790835.db2.gz LYSHJOBGRQBLEZ-NXEZZACHSA-N 1 1 262.313 1.449 10 5 CDBEMO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000408112748 358157017 /nfs/dbraw/zinc/15/70/17/358157017.db2.gz NGYYAXQVIPHWJN-LLVKDONJSA-N 1 1 277.324 1.679 10 5 CDBEMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000408112748 358157020 /nfs/dbraw/zinc/15/70/20/358157020.db2.gz NGYYAXQVIPHWJN-LLVKDONJSA-N 1 1 277.324 1.679 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000408200460 358375086 /nfs/dbraw/zinc/37/50/86/358375086.db2.gz AUWLJUWOKWKSKJ-CHWSQXEVSA-N 1 1 291.351 1.672 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2CCOC[C@H]2C1 ZINC000408200460 358375088 /nfs/dbraw/zinc/37/50/88/358375088.db2.gz AUWLJUWOKWKSKJ-CHWSQXEVSA-N 1 1 291.351 1.672 10 5 CDBEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000247641679 358703356 /nfs/dbraw/zinc/70/33/56/358703356.db2.gz VRXOBGVQOCDURV-OLZOCXBDSA-N 1 1 293.371 1.350 10 5 CDBEMO COC(=O)COc1ccc(C[NH+]2CC(C)C2)cc1[N+](=O)[O-] ZINC000338956746 359247173 /nfs/dbraw/zinc/24/71/73/359247173.db2.gz JZGZLPZAZVAAPX-UHFFFAOYSA-N 1 1 294.307 1.598 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000339001067 359268879 /nfs/dbraw/zinc/26/88/79/359268879.db2.gz YTQBTFIBNCSPHF-CYBMUJFWSA-N 1 1 268.288 1.810 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000339001067 359268883 /nfs/dbraw/zinc/26/88/83/359268883.db2.gz YTQBTFIBNCSPHF-CYBMUJFWSA-N 1 1 268.288 1.810 10 5 CDBEMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])nc2)CC[N@H+]1C ZINC000581469700 363994909 /nfs/dbraw/zinc/99/49/09/363994909.db2.gz ZCEIHCXUHGOOPE-GHMZBOCLSA-N 1 1 264.329 1.909 10 5 CDBEMO C[N@@H+](CCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000440946152 367173629 /nfs/dbraw/zinc/17/36/29/367173629.db2.gz FAWGIUWTRNWERX-UHFFFAOYSA-N 1 1 281.312 1.238 10 5 CDBEMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000170687849 368509598 /nfs/dbraw/zinc/50/95/98/368509598.db2.gz REOPIQLDVDJEKL-LBPRGKRZSA-N 1 1 293.323 1.305 10 5 CDBEMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000170687849 368509605 /nfs/dbraw/zinc/50/96/05/368509605.db2.gz REOPIQLDVDJEKL-LBPRGKRZSA-N 1 1 293.323 1.305 10 5 CDBEMO C[C@H]1C[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)CC[N@H+]1C ZINC000266213795 373976235 /nfs/dbraw/zinc/97/62/35/373976235.db2.gz GRDAOROOMRFKAK-UWVGGRQHSA-N 1 1 267.333 1.247 10 5 CDBEMO CNC(=O)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000420967775 374307687 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CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCO ZINC000281635747 195316912 /nfs/dbraw/zinc/31/69/12/195316912.db2.gz IIXYAYKSWGEOEV-UHFFFAOYSA-N 1 1 268.313 1.808 10 5 CDBEMO CC(C)[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000432780013 390490480 /nfs/dbraw/zinc/49/04/80/390490480.db2.gz JJRYJUHXFLBRFZ-AAEUAGOBSA-N 1 1 294.355 1.493 10 5 CDBEMO C[C@@H](O)C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282017993 390462055 /nfs/dbraw/zinc/46/20/55/390462055.db2.gz KBVCNFOGSFRZCY-WDEREUQCSA-N 1 1 299.396 1.543 10 5 CDBEMO CC(C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000421409776 392934738 /nfs/dbraw/zinc/93/47/38/392934738.db2.gz NNOVCBLDWGQIQG-HZRUHFOJSA-N 1 1 294.351 1.672 10 5 CDBEMO CN(C)c1[nH+]cc(CNc2ccc([N+](=O)[O-])nc2)n1C ZINC000344429065 152528860 /nfs/dbraw/zinc/52/88/60/152528860.db2.gz AEGUIHFSXHMXEL-UHFFFAOYSA-N 1 1 276.300 1.401 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC(O)C1 ZINC000355371729 157011284 /nfs/dbraw/zinc/01/12/84/157011284.db2.gz ONANZLNESHINRF-UHFFFAOYSA-N 1 1 250.298 1.858 10 5 CDBEMO C[C@@H]1CCCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362605354 159192834 /nfs/dbraw/zinc/19/28/34/159192834.db2.gz FAUGMZIHUGJPAG-DGCLKSJQSA-N 1 1 282.344 1.417 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371829152 160055129 /nfs/dbraw/zinc/05/51/29/160055129.db2.gz QUHBQLMVNRTZKG-WFASDCNBSA-N 1 1 291.351 1.672 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000371829152 160055132 /nfs/dbraw/zinc/05/51/32/160055132.db2.gz QUHBQLMVNRTZKG-WFASDCNBSA-N 1 1 291.351 1.672 10 5 CDBEMO [NH3+][C@@H](CCO)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000040710747 174381167 /nfs/dbraw/zinc/38/11/67/174381167.db2.gz NSBZDMAYEGNYMD-VIFPVBQESA-N 1 1 264.241 1.027 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])Cc1cc([N+](=O)[O-])ccc1OC ZINC000044356686 175167282 /nfs/dbraw/zinc/16/72/82/175167282.db2.gz PPULSWAEBZYZRO-JTQLQIEISA-N 1 1 268.269 1.036 10 5 CDBEMO [NH3+][C@@H](CCO)c1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000044732026 175240721 /nfs/dbraw/zinc/24/07/21/175240721.db2.gz AJZLVAIQNHDOCX-QMMMGPOBSA-N 1 1 264.241 1.027 10 5 CDBEMO O=[N+]([O-])c1ccc(CN2CCC[N@H+](CCO)CC2)cc1 ZINC000071350251 176134153 /nfs/dbraw/zinc/13/41/53/176134153.db2.gz KUGQJWANTSKGGQ-UHFFFAOYSA-N 1 1 279.340 1.095 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000302754603 276077514 /nfs/dbraw/zinc/07/75/14/276077514.db2.gz IFJUNKWYDHIYAU-LLVKDONJSA-N 1 1 264.329 1.829 10 5 CDBEMO CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001673434850 1173856022 /nfs/dbraw/zinc/85/60/22/1173856022.db2.gz WMDDEMTWFAFMJH-VXGBXAGGSA-N 1 1 271.361 1.232 10 5 CDBEMO CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001673434850 1173856029 /nfs/dbraw/zinc/85/60/29/1173856029.db2.gz WMDDEMTWFAFMJH-VXGBXAGGSA-N 1 1 271.361 1.232 10 5 CDBEMO CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001673434850 1173856035 /nfs/dbraw/zinc/85/60/35/1173856035.db2.gz WMDDEMTWFAFMJH-VXGBXAGGSA-N 1 1 271.361 1.232 10 5 CDBEMO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CCO ZINC000050814552 520330181 /nfs/dbraw/zinc/33/01/81/520330181.db2.gz KZNQLPPFXHNPEL-UHFFFAOYSA-N 1 1 267.329 1.841 10 5 CDBEMO CCC[N@H+](CC(=O)NC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816815 521544094 /nfs/dbraw/zinc/54/40/94/521544094.db2.gz MLPZFSMXJFIZRA-UHFFFAOYSA-N 1 1 294.355 1.595 10 5 CDBEMO CCC[N@@H+](CC(=O)NC)Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050816815 521544101 /nfs/dbraw/zinc/54/41/01/521544101.db2.gz MLPZFSMXJFIZRA-UHFFFAOYSA-N 1 1 294.355 1.595 10 5 CDBEMO COC(=O)[C@](C)([NH3+])CSc1ccccc1[N+](=O)[O-] ZINC000045549821 524001187 /nfs/dbraw/zinc/00/11/87/524001187.db2.gz ZKYDCQJUFMVCHJ-LLVKDONJSA-N 1 1 270.310 1.577 10 5 CDBEMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+](C2CC2)CC1 ZINC000061604340 526907618 /nfs/dbraw/zinc/90/76/18/526907618.db2.gz GNMXOKKYPFGMEF-UHFFFAOYSA-N 1 1 295.364 1.967 10 5 CDBEMO NNc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000051091389 527283364 /nfs/dbraw/zinc/28/33/64/527283364.db2.gz SAKQFMIJYHPPQX-UHFFFAOYSA-N 1 1 287.279 1.205 10 5 CDBEMO Nc1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000050792867 527481839 /nfs/dbraw/zinc/48/18/39/527481839.db2.gz SOOKHXVEFRYNLS-LBPRGKRZSA-N 1 1 279.340 1.914 10 5 CDBEMO C[C@H]1[C@@H](NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000931607622 618074481 /nfs/dbraw/zinc/07/44/81/618074481.db2.gz LHMNDAROPRIMPG-KWQFWETISA-N 1 1 296.302 1.948 10 5 CDBEMO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000923435625 618339127 /nfs/dbraw/zinc/33/91/27/618339127.db2.gz ITSBWDJLBHEFTQ-GARJFASQSA-N 1 1 279.340 1.871 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000903471641 626003834 /nfs/dbraw/zinc/00/38/34/626003834.db2.gz LQKVRBBNBZBVAC-ZDUSSCGKSA-N 1 1 277.324 1.675 10 5 CDBEMO CC[N@H+]1CC[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000905547676 626866961 /nfs/dbraw/zinc/86/69/61/626866961.db2.gz GZIGVXZZLMOEEJ-GFCCVEGCSA-N 1 1 294.380 1.975 10 5 CDBEMO CC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000910282153 628957795 /nfs/dbraw/zinc/95/77/95/628957795.db2.gz SKQAMWKTSAIYCV-NSHDSACASA-N 1 1 292.339 1.546 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925396772 630714456 /nfs/dbraw/zinc/71/44/56/630714456.db2.gz NUNLOJVWJLAGSV-NSHDSACASA-N 1 1 278.312 1.729 10 5 CDBEMO COc1ccc(C[N@H+]2CC[C@H](O)[C@@H]2C)cc1[N+](=O)[O-] ZINC001170324381 1162337807 /nfs/dbraw/zinc/33/78/07/1162337807.db2.gz PDOJGACJEAVADA-CABZTGNLSA-N 1 1 266.297 1.559 10 5 CDBEMO Cc1cc(N2CC([NH2+]C3COC3)C2)ccc1[N+](=O)[O-] ZINC001612969873 1165527777 /nfs/dbraw/zinc/52/77/77/1165527777.db2.gz NFYRADYUHYGJHM-UHFFFAOYSA-N 1 1 263.297 1.080 10 5 CDBEMO C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001617582730 1165601085 /nfs/dbraw/zinc/60/10/85/1165601085.db2.gz NNJLUXKDJZWYDK-MWLCHTKSSA-N 1 1 251.286 1.193 10 5 CDBEMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001627236048 1165984866 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CN(CC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001714705302 1179347239 /nfs/dbraw/zinc/34/72/39/1179347239.db2.gz ZYVKPWDVMLKALG-DGCLKSJQSA-N 1 1 295.314 1.039 10 5 CDBEMO O=[N+]([O-])CC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000931167771 805138821 /nfs/dbraw/zinc/13/88/21/805138821.db2.gz PRLVILFXKKKAMQ-MWLCHTKSSA-N 1 1 290.241 1.787 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000878884438 811084127 /nfs/dbraw/zinc/08/41/27/811084127.db2.gz YTVFNKJOYUGGDO-RYUDHWBXSA-N 1 1 284.287 1.052 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928458711 812866060 /nfs/dbraw/zinc/86/60/60/812866060.db2.gz XOKFSFPGAIVGEW-MFKMUULPSA-N 1 1 293.323 1.182 10 5 CDBEMO COC[C@@H](C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000851869534 817438602 /nfs/dbraw/zinc/43/86/02/817438602.db2.gz KDGQHGFNAFUIAY-GFCCVEGCSA-N 1 1 280.324 1.614 10 5 CDBEMO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000928455679 817824176 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CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccsc1 ZINC001713484445 1178599818 /nfs/dbraw/zinc/59/98/18/1178599818.db2.gz IBWMPDFEWZPKTP-VXGBXAGGSA-N 1 1 297.380 1.351 10 5 CDBEMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccsc1 ZINC001713484445 1178599821 /nfs/dbraw/zinc/59/98/21/1178599821.db2.gz IBWMPDFEWZPKTP-VXGBXAGGSA-N 1 1 297.380 1.351 10 5 CDBEMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccsc1 ZINC001713484445 1178599824 /nfs/dbraw/zinc/59/98/24/1178599824.db2.gz IBWMPDFEWZPKTP-VXGBXAGGSA-N 1 1 297.380 1.351 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794949514 824375004 /nfs/dbraw/zinc/37/50/04/824375004.db2.gz QPEFSGWKYWLYIK-AEGPPILISA-N 1 1 291.351 1.264 10 5 CDBEMO CN1C[C@H]2[C@@H](CC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794949514 824375007 /nfs/dbraw/zinc/37/50/07/824375007.db2.gz QPEFSGWKYWLYIK-AEGPPILISA-N 1 1 291.351 1.264 10 5 CDBEMO CN1C[C@H]2[C@@H](CC[N@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794949514 824375009 /nfs/dbraw/zinc/37/50/09/824375009.db2.gz QPEFSGWKYWLYIK-AEGPPILISA-N 1 1 291.351 1.264 10 5 CDBEMO CCN(OC)C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000842768736 824862319 /nfs/dbraw/zinc/86/23/19/824862319.db2.gz TZHWATCUFRTEPA-UHFFFAOYSA-N 1 1 267.285 1.094 10 5 CDBEMO C[C@H]([NH2+]CCOCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872018617 825231371 /nfs/dbraw/zinc/23/13/71/825231371.db2.gz OAWQUBFZMHGPTR-VIFPVBQESA-N 1 1 272.276 1.393 10 5 CDBEMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000931718640 826098862 /nfs/dbraw/zinc/09/88/62/826098862.db2.gz ATLUWAZHRAAIEF-QWHCGFSZSA-N 1 1 291.351 1.969 10 5 CDBEMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000931718640 826098873 /nfs/dbraw/zinc/09/88/73/826098873.db2.gz ATLUWAZHRAAIEF-QWHCGFSZSA-N 1 1 291.351 1.969 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1cn[nH]n1)C2 ZINC000851869374 827029256 /nfs/dbraw/zinc/02/92/56/827029256.db2.gz FWBHMRNYYKCQEK-UHFFFAOYSA-N 1 1 273.296 1.314 10 5 CDBEMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1cn[nH]n1)C2 ZINC000851869374 827029268 /nfs/dbraw/zinc/02/92/68/827029268.db2.gz FWBHMRNYYKCQEK-UHFFFAOYSA-N 1 1 273.296 1.314 10 5 CDBEMO O=C1OC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000860160299 827255350 /nfs/dbraw/zinc/25/53/50/827255350.db2.gz PEQIRKNGEAJEOT-MWLCHTKSSA-N 1 1 280.255 1.339 10 5 CDBEMO O=C1OC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]12 ZINC000860160299 827255374 /nfs/dbraw/zinc/25/53/74/827255374.db2.gz PEQIRKNGEAJEOT-MWLCHTKSSA-N 1 1 280.255 1.339 10 5 CDBEMO Cn1c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871151842 827635472 /nfs/dbraw/zinc/63/54/72/827635472.db2.gz CLFWQXIKIVQUIJ-UHFFFAOYSA-N 1 1 294.355 1.490 10 5 CDBEMO C[C@@H]1[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000719773911 827708773 /nfs/dbraw/zinc/70/87/73/827708773.db2.gz KQMOOQCDYJRIMS-SFYZADRCSA-N 1 1 252.274 1.200 10 5 CDBEMO COc1ccc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)cc1F ZINC000931335348 828062709 /nfs/dbraw/zinc/06/27/09/828062709.db2.gz VYZWLBKDMBPEAF-LLVKDONJSA-N 1 1 268.288 1.900 10 5 CDBEMO COc1ccc([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)cc1F ZINC000931335348 828062719 /nfs/dbraw/zinc/06/27/19/828062719.db2.gz VYZWLBKDMBPEAF-LLVKDONJSA-N 1 1 268.288 1.900 10 5 CDBEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nn(C)cc1[N+](=O)[O-] ZINC001185017444 919368280 /nfs/dbraw/zinc/36/82/80/919368280.db2.gz MCJWZTCLDDYWIE-MNOVXSKESA-N 1 1 281.360 1.861 10 5 CDBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000862627806 929445477 /nfs/dbraw/zinc/44/54/77/929445477.db2.gz LXOPPIMCYPWPKS-JHJVBQTASA-N 1 1 281.356 1.175 10 5 CDBEMO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000862627806 929445480 /nfs/dbraw/zinc/44/54/80/929445480.db2.gz LXOPPIMCYPWPKS-JHJVBQTASA-N 1 1 281.356 1.175 10 5 CDBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000862627806 929445482 /nfs/dbraw/zinc/44/54/82/929445482.db2.gz LXOPPIMCYPWPKS-JHJVBQTASA-N 1 1 281.356 1.175 10 5 CDBEMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)cc(C)[nH+]1 ZINC001116394505 937445814 /nfs/dbraw/zinc/44/58/14/937445814.db2.gz ZWLNRDZHXDPPAX-UHFFFAOYSA-N 1 1 286.291 1.984 10 5 CDBEMO CN1C(=O)C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC001119850797 937759959 /nfs/dbraw/zinc/75/99/59/937759959.db2.gz CFNSVVYJPJBGHY-WCQYABFASA-N 1 1 297.742 1.478 10 5 CDBEMO Cc1nn(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001261654744 946218630 /nfs/dbraw/zinc/21/86/30/946218630.db2.gz BDIOIHHUQPFPCB-CMPLNLGQSA-N 1 1 266.301 1.026 10 5 CDBEMO Cc1nn(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001261654744 946218640 /nfs/dbraw/zinc/21/86/40/946218640.db2.gz BDIOIHHUQPFPCB-CMPLNLGQSA-N 1 1 266.301 1.026 10 5 CDBEMO CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001479294066 971292811 /nfs/dbraw/zinc/29/28/11/971292811.db2.gz YZDGFRGQKBOKOC-YVECIDJPSA-N 1 1 281.356 1.102 10 5 CDBEMO C[C@H]([NH2+]CCOCCCO)c1c(F)cccc1[N+](=O)[O-] ZINC001332231711 957485351 /nfs/dbraw/zinc/48/53/51/957485351.db2.gz KUOJBHIIMRYEEK-JTQLQIEISA-N 1 1 286.303 1.784 10 5 CDBEMO CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001495413472 972492999 /nfs/dbraw/zinc/49/29/99/972492999.db2.gz PAQGOBXKWPJGCO-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC001558874437 965364807 /nfs/dbraw/zinc/36/48/07/965364807.db2.gz JKUWVWBFNSNFQU-SNVBAGLBSA-N 1 1 292.339 1.343 10 5 CDBEMO Cc1ccc(NC(=O)C[N@H+](C)C(C)C)c(N)c1[N+](=O)[O-] ZINC001456745640 969035403 /nfs/dbraw/zinc/03/54/03/969035403.db2.gz SJYNPHITWWMAGX-UHFFFAOYSA-N 1 1 280.328 1.764 10 5 CDBEMO C[C@H]1Cc2n[nH]cc2C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001460782523 969545022 /nfs/dbraw/zinc/54/50/22/969545022.db2.gz YFCIEGZTUNNUEP-JTQLQIEISA-N 1 1 290.327 1.209 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001655117515 1171669573 /nfs/dbraw/zinc/66/95/73/1171669573.db2.gz XYZATNRYTVTBJT-ZYHUDNBSSA-N 1 1 298.314 1.157 10 5 CDBEMO CC[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601098716 342463964 /nfs/dbraw/zinc/46/39/64/342463964.db2.gz GCLRXZXVXXXFAU-UHFFFAOYSA-N 1 1 254.265 1.271 10 5 CDBEMO Cc1c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cccc1[N+](=O)[O-] ZINC000590043749 342520499 /nfs/dbraw/zinc/52/04/99/342520499.db2.gz FPTPTXAGTKSCCD-SMDDNHRTSA-N 1 1 289.335 1.679 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000599198925 343979157 /nfs/dbraw/zinc/97/91/57/343979157.db2.gz BISKVKPKSQZHCV-NSHDSACASA-N 1 1 280.328 1.085 10 5 CDBEMO COCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC000117631237 342049222 /nfs/dbraw/zinc/04/92/22/342049222.db2.gz WFQMKMRZNCXHSM-UHFFFAOYSA-N 1 1 250.298 1.642 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCC1(O)CCC1)CC2 ZINC000591025693 342614430 /nfs/dbraw/zinc/61/44/30/342614430.db2.gz SSIAIAYPPVGUEZ-UHFFFAOYSA-N 1 1 277.324 1.653 10 5 CDBEMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC1(O)CCC1)CC2 ZINC000591025693 342614431 /nfs/dbraw/zinc/61/44/31/342614431.db2.gz SSIAIAYPPVGUEZ-UHFFFAOYSA-N 1 1 277.324 1.653 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000048752108 342262903 /nfs/dbraw/zinc/26/29/03/342262903.db2.gz UASBEWBGOLBGJF-NSHDSACASA-N 1 1 263.297 1.419 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC(=O)N(C)CC1 ZINC000597214349 343482521 /nfs/dbraw/zinc/48/25/21/343482521.db2.gz OCBCUIDFDAVDDG-UHFFFAOYSA-N 1 1 277.324 1.567 10 5 CDBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598465377 343806348 /nfs/dbraw/zinc/80/63/48/343806348.db2.gz MOMAHRINVQSFPE-UHFFFAOYSA-N 1 1 283.332 1.168 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599165809 343973036 /nfs/dbraw/zinc/97/30/36/343973036.db2.gz TYSLTAGCNYDSQX-NSHDSACASA-N 1 1 279.344 1.757 10 5 CDBEMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000599669144 344125721 /nfs/dbraw/zinc/12/57/21/344125721.db2.gz BVUXLAVRORNJHY-WAAGHKOSSA-N 1 1 256.327 1.859 10 5 CDBEMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000599669144 344125725 /nfs/dbraw/zinc/12/57/25/344125725.db2.gz BVUXLAVRORNJHY-WAAGHKOSSA-N 1 1 256.327 1.859 10 5 CDBEMO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000293486424 362566508 /nfs/dbraw/zinc/56/65/08/362566508.db2.gz SKLICQIBEHJBKJ-QWRGUYRKSA-N 1 1 289.335 1.824 10 5 CDBEMO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000293486424 362566510 /nfs/dbraw/zinc/56/65/10/362566510.db2.gz SKLICQIBEHJBKJ-QWRGUYRKSA-N 1 1 289.335 1.824 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+](C)C2CC2)c1 ZINC000136299678 362966062 /nfs/dbraw/zinc/96/60/62/362966062.db2.gz HLNOEDHOFYTJFB-UHFFFAOYSA-N 1 1 293.323 1.888 10 5 CDBEMO CCNC(=O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000036780388 363010891 /nfs/dbraw/zinc/01/08/91/363010891.db2.gz QEBXHQOTNGAWEH-VIFPVBQESA-N 1 1 251.286 1.382 10 5 CDBEMO CC[N@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273636364 192241322 /nfs/dbraw/zinc/24/13/22/192241322.db2.gz RFMKDAAOHNSZIW-JQWIXIFHSA-N 1 1 279.344 1.551 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000408069528 357805073 /nfs/dbraw/zinc/80/50/73/357805073.db2.gz CBUXCGCYJTUGQV-NXEZZACHSA-N 1 1 292.339 1.463 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000408069528 357805077 /nfs/dbraw/zinc/80/50/77/357805077.db2.gz CBUXCGCYJTUGQV-NXEZZACHSA-N 1 1 292.339 1.463 10 5 CDBEMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000193580358 358305612 /nfs/dbraw/zinc/30/56/12/358305612.db2.gz SXGDSWFGILBHPI-XCBNKYQSSA-N 1 1 269.326 1.271 10 5 CDBEMO COc1cc(N2CC[NH+](C)CC2)c(OC)cc1[N+](=O)[O-] ZINC000202888765 358625956 /nfs/dbraw/zinc/62/59/56/358625956.db2.gz PUNXUNOLLYACNX-UHFFFAOYSA-N 1 1 281.312 1.364 10 5 CDBEMO C[N@@H+]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]2C1 ZINC000366996368 364496192 /nfs/dbraw/zinc/49/61/92/364496192.db2.gz NUPDHKLCJVHEFD-TXEJJXNPSA-N 1 1 279.315 1.727 10 5 CDBEMO CN(C[C@@H]1CCC[N@H+]1C)c1ccncc1[N+](=O)[O-] ZINC000420644526 244309539 /nfs/dbraw/zinc/30/95/39/244309539.db2.gz ZDPYJGIFSRWIQE-JTQLQIEISA-N 1 1 250.302 1.520 10 5 CDBEMO C[C@@H]([NH3+])[C@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423452398 374383451 /nfs/dbraw/zinc/38/34/51/374383451.db2.gz WFGRYIDUDCBPLT-MXWKQRLJSA-N 1 1 294.355 1.637 10 5 CDBEMO C[C@@H](N)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423452398 374383454 /nfs/dbraw/zinc/38/34/54/374383454.db2.gz WFGRYIDUDCBPLT-MXWKQRLJSA-N 1 1 294.355 1.637 10 5 CDBEMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531628943 374504819 /nfs/dbraw/zinc/50/48/19/374504819.db2.gz FAAYAHNKMYOBKU-SNVBAGLBSA-N 1 1 278.312 1.061 10 5 CDBEMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278856090 374862464 /nfs/dbraw/zinc/86/24/64/374862464.db2.gz KRQBQJGPVAQHEN-NHYWBVRUSA-N 1 1 289.335 1.868 10 5 CDBEMO CC[N@H+]1CCC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000194633136 378448142 /nfs/dbraw/zinc/44/81/42/378448142.db2.gz OXTJHVLFPVVTCL-ZDUSSCGKSA-N 1 1 291.351 1.738 10 5 CDBEMO O=[N+]([O-])c1c(F)cccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000371803856 285077052 /nfs/dbraw/zinc/07/70/52/285077052.db2.gz RYLLNKJFURTRAJ-SNVBAGLBSA-N 1 1 281.287 1.255 10 5 CDBEMO O=[N+]([O-])c1c(F)cccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000371803856 285077054 /nfs/dbraw/zinc/07/70/54/285077054.db2.gz RYLLNKJFURTRAJ-SNVBAGLBSA-N 1 1 281.287 1.255 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CCC[N@H+](C3CC3)CC2)s1 ZINC000195511833 285172738 /nfs/dbraw/zinc/17/27/38/285172738.db2.gz WLDMBSRPKBKVMA-UHFFFAOYSA-N 1 1 268.342 1.726 10 5 CDBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000282560925 195646359 /nfs/dbraw/zinc/64/63/59/195646359.db2.gz YMVMVBAVEVNRFI-UHFFFAOYSA-N 1 1 294.351 1.611 10 5 CDBEMO Cc1c(C[N@H+]2C[C@H]3OCCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000121113766 391574496 /nfs/dbraw/zinc/57/44/96/391574496.db2.gz NQYXCGNWLMQZCE-HUUCEWRRSA-N 1 1 291.351 1.418 10 5 CDBEMO Cc1c(C[N@@H+]2C[C@H]3OCCN(C)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000121113766 391574499 /nfs/dbraw/zinc/57/44/99/391574499.db2.gz NQYXCGNWLMQZCE-HUUCEWRRSA-N 1 1 291.351 1.418 10 5 CDBEMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397569 393073612 /nfs/dbraw/zinc/07/36/12/393073612.db2.gz VHWDHLHIHLOJAZ-JTQLQIEISA-N 1 1 280.328 1.450 10 5 CDBEMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000352550755 155264171 /nfs/dbraw/zinc/26/41/71/155264171.db2.gz QIYGHPVMPBOARN-UHFFFAOYSA-N 1 1 264.325 1.984 10 5 CDBEMO CC[N@H+]1CCC[C@H]1CNc1cc([N+](=O)[O-])ccn1 ZINC000043567686 175067440 /nfs/dbraw/zinc/06/74/40/175067440.db2.gz FSVBHWBQEWSYKU-NSHDSACASA-N 1 1 250.302 1.886 10 5 CDBEMO CC[N@H+]1CC[C@H](CNc2cc([N+](=O)[O-])ccn2)C1 ZINC000043567782 175067467 /nfs/dbraw/zinc/06/74/67/175067467.db2.gz NHUHRTMYDRYCQO-SNVBAGLBSA-N 1 1 250.302 1.744 10 5 CDBEMO C[C@H](c1ccc([N+](=O)[O-])cc1)N(C)CCN1CC[NH2+]CC1 ZINC000071148985 176044612 /nfs/dbraw/zinc/04/46/12/176044612.db2.gz DFGCINBYMAUTPB-CYBMUJFWSA-N 1 1 292.383 1.493 10 5 CDBEMO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001667565886 1173291434 /nfs/dbraw/zinc/29/14/34/1173291434.db2.gz JYMXZMCDQMGTEH-ZIAGYGMSSA-N 1 1 291.351 1.242 10 5 CDBEMO CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001667565886 1173291437 /nfs/dbraw/zinc/29/14/37/1173291437.db2.gz JYMXZMCDQMGTEH-ZIAGYGMSSA-N 1 1 291.351 1.242 10 5 CDBEMO CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001667565886 1173291443 /nfs/dbraw/zinc/29/14/43/1173291443.db2.gz JYMXZMCDQMGTEH-ZIAGYGMSSA-N 1 1 291.351 1.242 10 5 CDBEMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000408453179 274339229 /nfs/dbraw/zinc/33/92/29/274339229.db2.gz RBYGRIZGIGVEOB-VHSXEESVSA-N 1 1 289.339 2.000 10 5 CDBEMO O=C1NCC[C@H]1[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542840 275023591 /nfs/dbraw/zinc/02/35/91/275023591.db2.gz AJNZBSFCMYSEPP-TZMCWYRMSA-N 1 1 289.335 1.663 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000194738115 280052487 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CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C ZINC000895770965 619836759 /nfs/dbraw/zinc/83/67/59/619836759.db2.gz SYNAYEKPEHFPMK-NSHDSACASA-N 1 1 263.297 1.913 10 5 CDBEMO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C(C)(C)C ZINC000912030837 629725630 /nfs/dbraw/zinc/72/56/30/629725630.db2.gz JIOQNSNHOLRELE-NSHDSACASA-N 1 1 294.355 1.725 10 5 CDBEMO CCC[N@@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001621106654 1165675236 /nfs/dbraw/zinc/67/52/36/1165675236.db2.gz ISXJQZOKQIMFKU-UHFFFAOYSA-N 1 1 294.355 1.760 10 5 CDBEMO CCCCCC[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001638119198 1166820193 /nfs/dbraw/zinc/82/01/93/1166820193.db2.gz MHHGVHIKCIGLQB-UHFFFAOYSA-N 1 1 283.332 1.769 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(Cn2cc[nH+]c2C)c1 ZINC001652735450 1171469748 /nfs/dbraw/zinc/46/97/48/1171469748.db2.gz FHDRLIGQNVANPX-UHFFFAOYSA-N 1 1 275.264 1.935 10 5 CDBEMO C[N@@H+](CCNC(=O)C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001663128212 1172639376 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O=C(OC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000870731711 833789510 /nfs/dbraw/zinc/78/95/10/833789510.db2.gz ALHJMAKHSWQPLP-BFHYXJOUSA-N 1 1 296.367 1.992 10 5 CDBEMO O=C(OC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000870731711 833789518 /nfs/dbraw/zinc/78/95/18/833789518.db2.gz ALHJMAKHSWQPLP-BFHYXJOUSA-N 1 1 296.367 1.992 10 5 CDBEMO O=C(OC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000870731711 833789531 /nfs/dbraw/zinc/78/95/31/833789531.db2.gz ALHJMAKHSWQPLP-BFHYXJOUSA-N 1 1 296.367 1.992 10 5 CDBEMO CC[N@H+]1CC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000712541374 832469693 /nfs/dbraw/zinc/46/96/93/832469693.db2.gz DYMPKYYAFRZUEJ-QMMMGPOBSA-N 1 1 281.341 1.810 10 5 CDBEMO COC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000227754701 834889719 /nfs/dbraw/zinc/88/97/19/834889719.db2.gz SDHUTOIPUUVMMX-SMDDNHRTSA-N 1 1 292.335 1.878 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC001187241917 920422619 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O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001473750807 969838808 /nfs/dbraw/zinc/83/88/08/969838808.db2.gz QIUKUODUYSPWCM-MRVPVSSYSA-N 1 1 292.274 1.237 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001473750807 969838811 /nfs/dbraw/zinc/83/88/11/969838811.db2.gz QIUKUODUYSPWCM-MRVPVSSYSA-N 1 1 292.274 1.237 10 5 CDBEMO CC[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C(C)(C)C1 ZINC001472056043 970555491 /nfs/dbraw/zinc/55/54/91/970555491.db2.gz FQAUZVJTOKWQRO-SECBINFHSA-N 1 1 295.343 1.086 10 5 CDBEMO O=C(NCC1([NH2+]CC2CCC2)CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001495917643 972700218 /nfs/dbraw/zinc/70/02/18/972700218.db2.gz RTSMRFNQDMIPLA-CHWSQXEVSA-N 1 1 295.383 1.470 10 5 CDBEMO C[N@H+]1CCC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601040852 342460864 /nfs/dbraw/zinc/46/08/64/342460864.db2.gz VVZFJJWTHLPIBT-SECBINFHSA-N 1 1 281.287 1.558 10 5 CDBEMO C[C@@H](O)CCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601116240 342470836 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Cc1c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595770533 343147205 /nfs/dbraw/zinc/14/72/05/343147205.db2.gz XUMWYJOSMSCZDX-GXTWGEPZSA-N 1 1 262.309 1.860 10 5 CDBEMO CC12CC(C1)C[N@H+]2CCn1cc([N+](=O)[O-])ccc1=O ZINC000595918472 343191798 /nfs/dbraw/zinc/19/17/98/343191798.db2.gz DCJSEQJHNVEPTA-UHFFFAOYSA-N 1 1 263.297 1.241 10 5 CDBEMO Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])s1 ZINC000596109543 343229302 /nfs/dbraw/zinc/22/93/02/343229302.db2.gz CWFATTXPAAEIEG-SECBINFHSA-N 1 1 285.369 1.468 10 5 CDBEMO CCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CC[N@@H+](C)C1 ZINC000596449696 343323993 /nfs/dbraw/zinc/32/39/93/343323993.db2.gz DEXWFJQGMUZYHB-JTQLQIEISA-N 1 1 280.328 1.100 10 5 CDBEMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295043542 199317060 /nfs/dbraw/zinc/31/70/60/199317060.db2.gz FBDKVNHHWVTSLU-GJZGRUSLSA-N 1 1 291.351 1.500 10 5 CDBEMO CCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CC[N@@H+](C)C1 ZINC000597945927 343675634 /nfs/dbraw/zinc/67/56/34/343675634.db2.gz KGRKSZZEOQCKAP-JTQLQIEISA-N 1 1 292.339 1.343 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000604198939 344865649 /nfs/dbraw/zinc/86/56/49/344865649.db2.gz MJZMCORWJXRBBA-NSHDSACASA-N 1 1 293.323 1.184 10 5 CDBEMO COCC[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000105833847 186075422 /nfs/dbraw/zinc/07/54/22/186075422.db2.gz GSKIOZPHSKMRIL-LLVKDONJSA-N 1 1 299.396 1.809 10 5 CDBEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000107819894 186193384 /nfs/dbraw/zinc/19/33/84/186193384.db2.gz PVZBPBPFZGYGHC-LLVKDONJSA-N 1 1 264.281 1.590 10 5 CDBEMO C[C@H](CO)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785420 350848314 /nfs/dbraw/zinc/84/83/14/350848314.db2.gz RUHJAMPMDBJMML-NSHDSACASA-N 1 1 252.314 1.698 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000102178583 358871717 /nfs/dbraw/zinc/87/17/17/358871717.db2.gz JKEAOCRTCVCGCA-LLVKDONJSA-N 1 1 292.339 1.742 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000102178583 358871719 /nfs/dbraw/zinc/87/17/19/358871719.db2.gz JKEAOCRTCVCGCA-LLVKDONJSA-N 1 1 292.339 1.742 10 5 CDBEMO CC(C)[C@@H](O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000572218356 360067617 /nfs/dbraw/zinc/06/76/17/360067617.db2.gz ZMIQSZNTQGLIQI-AWEZNQCLSA-N 1 1 264.325 1.970 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@]3(C2)CCCOC3)n1 ZINC000367452587 361424396 /nfs/dbraw/zinc/42/43/96/361424396.db2.gz UVBACSRVJXAMFO-ZDUSSCGKSA-N 1 1 280.328 1.294 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCO ZINC000440942923 367141634 /nfs/dbraw/zinc/14/16/34/367141634.db2.gz WKBGQGJYYPESJG-UHFFFAOYSA-N 1 1 281.312 1.156 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCCO ZINC000440942923 367141641 /nfs/dbraw/zinc/14/16/41/367141641.db2.gz WKBGQGJYYPESJG-UHFFFAOYSA-N 1 1 281.312 1.156 10 5 CDBEMO C[NH+](C)C1(CNC(=O)[C@H]2CC2[N+](=O)[O-])CCCCCC1 ZINC000047297922 412769710 /nfs/dbraw/zinc/76/97/10/412769710.db2.gz NIQUDOVSXCLPFR-NWDGAFQWSA-N 1 1 283.372 1.422 10 5 CDBEMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000124777107 374847228 /nfs/dbraw/zinc/84/72/28/374847228.db2.gz BIVZLFFGFFHZAI-LBPRGKRZSA-N 1 1 291.351 1.975 10 5 CDBEMO Cc1sc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000049095950 375402028 /nfs/dbraw/zinc/40/20/28/375402028.db2.gz LYKGXVIKYCFXPA-SECBINFHSA-N 1 1 283.353 1.789 10 5 CDBEMO CCC[N@@H+](CC)C[C@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000357794650 375933537 /nfs/dbraw/zinc/93/35/37/375933537.db2.gz CQUNGUNBIHZWRD-NSHDSACASA-N 1 1 266.345 1.944 10 5 CDBEMO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000547769514 377836315 /nfs/dbraw/zinc/83/63/15/377836315.db2.gz GDTIDSGSQGWSQU-PHIMTYICSA-N 1 1 289.335 1.967 10 5 CDBEMO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000547769514 377836318 /nfs/dbraw/zinc/83/63/18/377836318.db2.gz GDTIDSGSQGWSQU-PHIMTYICSA-N 1 1 289.335 1.967 10 5 CDBEMO COc1cc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000443325634 250022145 /nfs/dbraw/zinc/02/21/45/250022145.db2.gz HHHKLACDSOUIGG-QWRGUYRKSA-N 1 1 298.339 1.167 10 5 CDBEMO C[C@H](C[NH+]1CCOCC1)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000450483733 251305527 /nfs/dbraw/zinc/30/55/27/251305527.db2.gz KCHHKCHUUMUSMZ-LLVKDONJSA-N 1 1 280.328 1.147 10 5 CDBEMO COC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000452092321 391017912 /nfs/dbraw/zinc/01/79/12/391017912.db2.gz UKWDNJVYDSDMQO-LBPRGKRZSA-N 1 1 282.344 1.540 10 5 CDBEMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000153111957 392640772 /nfs/dbraw/zinc/64/07/72/392640772.db2.gz YCVZCAXAIKMGNX-QWHCGFSZSA-N 1 1 297.742 1.767 10 5 CDBEMO COc1cc(C[N@@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000488760930 392725495 /nfs/dbraw/zinc/72/54/95/392725495.db2.gz NFGMQFRTHWKPDP-NXEZZACHSA-N 1 1 298.314 1.945 10 5 CDBEMO COc1cc(C[N@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000488760930 392725501 /nfs/dbraw/zinc/72/55/01/392725501.db2.gz NFGMQFRTHWKPDP-NXEZZACHSA-N 1 1 298.314 1.945 10 5 CDBEMO C[C@@H]1CC[C@@H](O)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000421022688 392927797 /nfs/dbraw/zinc/92/77/97/392927797.db2.gz QNIAZCLMJNPGCM-DGCLKSJQSA-N 1 1 280.324 1.819 10 5 CDBEMO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000423677699 392966997 /nfs/dbraw/zinc/96/69/97/392966997.db2.gz QNWDAFWRNDLBLI-XVKPBYJWSA-N 1 1 289.295 1.033 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1CNC[C@H](C)[NH+](C)C ZINC000449555276 393133224 /nfs/dbraw/zinc/13/32/24/393133224.db2.gz HABJDRIWIDDCQX-NSHDSACASA-N 1 1 251.330 1.943 10 5 CDBEMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000355780842 157231467 /nfs/dbraw/zinc/23/14/67/157231467.db2.gz ISDIHZFKFIOFBG-OWTLIXCDSA-N 1 1 296.371 1.519 10 5 CDBEMO Cc1nn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(N)c1[N+](=O)[O-] ZINC000043670847 175087159 /nfs/dbraw/zinc/08/71/59/175087159.db2.gz UEUWCSDXTXKYRU-ULKQDVFKSA-N 1 1 265.317 1.480 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])s1 ZINC000249300489 274375354 /nfs/dbraw/zinc/37/53/54/274375354.db2.gz RYQZOTADHJCTPE-BDAKNGLRSA-N 1 1 268.342 1.724 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCCC[C@H]3C2)c(F)c1 ZINC000408464075 275041057 /nfs/dbraw/zinc/04/10/57/275041057.db2.gz DKRKLAFRFAMTTB-JTQLQIEISA-N 1 1 280.303 1.803 10 5 CDBEMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCCC[C@H]3C2)c(F)c1 ZINC000408464075 275041058 /nfs/dbraw/zinc/04/10/58/275041058.db2.gz DKRKLAFRFAMTTB-JTQLQIEISA-N 1 1 280.303 1.803 10 5 CDBEMO CCC1([NH2+]CC2CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001673591398 1173872341 /nfs/dbraw/zinc/87/23/41/1173872341.db2.gz DMVOIKIFAYWQAK-CHWSQXEVSA-N 1 1 295.383 1.422 10 5 CDBEMO COC(=O)C1(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000583912835 325265182 /nfs/dbraw/zinc/26/51/82/325265182.db2.gz QEDWGBSXYHOPRL-UHFFFAOYSA-N 1 1 290.319 1.906 10 5 CDBEMO COC(=O)[C@](C)([NH3+])C[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000068651109 524002771 /nfs/dbraw/zinc/00/27/71/524002771.db2.gz IYCIRJOJLLOFSG-QMTHXVAHSA-N 1 1 296.323 1.951 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000184717426 526083904 /nfs/dbraw/zinc/08/39/04/526083904.db2.gz UFHRCXSHZZEHCU-OASPWFOLSA-N 1 1 266.297 1.083 10 5 CDBEMO O=C1[C@H]([N@H+]2CC[C@@H]3C[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000761086278 576545749 /nfs/dbraw/zinc/54/57/49/576545749.db2.gz CBVUUMKMQLPADF-HONMWMINSA-N 1 1 287.319 1.794 10 5 CDBEMO Cn1cc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCSCC1 ZINC000757946335 577062712 /nfs/dbraw/zinc/06/27/12/577062712.db2.gz VUDIJHFYJSVHLB-UHFFFAOYSA-N 1 1 299.352 1.139 10 5 CDBEMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001625385548 1165904900 /nfs/dbraw/zinc/90/49/00/1165904900.db2.gz AVZYNQYXZWIPRJ-UHFFFAOYSA-N 1 1 294.355 1.637 10 5 CDBEMO COc1ccc(NC(=O)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC001566754663 1168408725 /nfs/dbraw/zinc/40/87/25/1168408725.db2.gz QCAVLLHNALSDRF-UHFFFAOYSA-N 1 1 290.279 1.747 10 5 CDBEMO CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001647994548 1169088610 /nfs/dbraw/zinc/08/86/10/1169088610.db2.gz CEARRTANMSNNCN-BXUZGUMPSA-N 1 1 291.351 1.909 10 5 CDBEMO CC[N@H+]1CC[C@@H]1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001647994548 1169088619 /nfs/dbraw/zinc/08/86/19/1169088619.db2.gz CEARRTANMSNNCN-BXUZGUMPSA-N 1 1 291.351 1.909 10 5 CDBEMO C[C@H]([C@H](C)O)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001652760810 1171473635 /nfs/dbraw/zinc/47/36/35/1171473635.db2.gz BYFSSCSBJBSQCZ-OUAUKWLOSA-N 1 1 280.328 1.245 10 5 CDBEMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001620677301 1172602823 /nfs/dbraw/zinc/60/28/23/1172602823.db2.gz NIZUOSDZQXMCOM-QWHCGFSZSA-N 1 1 280.324 1.018 10 5 CDBEMO CC[N@@H+](CCNc1nn(C)cc1[N+](=O)[O-])C1CC1 ZINC000219941773 1177906850 /nfs/dbraw/zinc/90/68/50/1177906850.db2.gz WLGLMRDLHXWCCB-UHFFFAOYSA-N 1 1 253.306 1.225 10 5 CDBEMO CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001713948794 1178879876 /nfs/dbraw/zinc/87/98/76/1178879876.db2.gz ZHQNDCGIIXTBKV-NDEBECQHSA-N 1 1 281.356 1.245 10 5 CDBEMO CCC[N@H+](C/C=C/Cl)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714652622 1179300206 /nfs/dbraw/zinc/30/02/06/1179300206.db2.gz BXNFGODASXMKNJ-YIZUVKHSSA-N 1 1 289.763 1.232 10 5 CDBEMO Cc1ccc(NCCNc2ncc([N+](=O)[O-])cn2)[nH+]c1 ZINC001612959862 1165525301 /nfs/dbraw/zinc/52/53/01/1165525301.db2.gz NZYVDOCGYCDLEV-UHFFFAOYSA-N 1 1 274.284 1.612 10 5 CDBEMO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000931466059 836013315 /nfs/dbraw/zinc/01/33/15/836013315.db2.gz BWCIWRXKDFYQBZ-STQMWFEESA-N 1 1 250.298 1.461 10 5 CDBEMO C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928437323 836347548 /nfs/dbraw/zinc/34/75/48/836347548.db2.gz BYEZPJVWDHJITB-QPUJVOFHSA-N 1 1 281.287 1.556 10 5 CDBEMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839727785 838878430 /nfs/dbraw/zinc/87/84/30/838878430.db2.gz GXZRMTXTRDOXQV-CHWSQXEVSA-N 1 1 295.383 1.446 10 5 CDBEMO CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839727785 838878432 /nfs/dbraw/zinc/87/84/32/838878432.db2.gz GXZRMTXTRDOXQV-CHWSQXEVSA-N 1 1 295.383 1.446 10 5 CDBEMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839727785 838878440 /nfs/dbraw/zinc/87/84/40/838878440.db2.gz GXZRMTXTRDOXQV-CHWSQXEVSA-N 1 1 295.383 1.446 10 5 CDBEMO Cc1nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000779866214 839810549 /nfs/dbraw/zinc/81/05/49/839810549.db2.gz DFNOMJOZPJKLSD-VXGBXAGGSA-N 1 1 280.328 1.558 10 5 CDBEMO Cc1nn(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000779866214 839810570 /nfs/dbraw/zinc/81/05/70/839810570.db2.gz DFNOMJOZPJKLSD-VXGBXAGGSA-N 1 1 280.328 1.558 10 5 CDBEMO C[N@H+]1CC[C@H]2CN(c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000866204865 840012514 /nfs/dbraw/zinc/01/25/14/840012514.db2.gz HEIQYHKUBFDAOS-WDEREUQCSA-N 1 1 262.313 1.520 10 5 CDBEMO COc1cc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000860163581 840179214 /nfs/dbraw/zinc/17/92/14/840179214.db2.gz ALVYPCHWIMVJDF-GHMZBOCLSA-N 1 1 292.291 1.208 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725119 840227582 /nfs/dbraw/zinc/22/75/82/840227582.db2.gz QZLRAGSAVNVXLG-GXTWGEPZSA-N 1 1 277.324 1.627 10 5 CDBEMO COC[C@H]1CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815127648 840551199 /nfs/dbraw/zinc/55/11/99/840551199.db2.gz XYJUPDMXHYLCRD-OLZOCXBDSA-N 1 1 266.297 1.349 10 5 CDBEMO CN1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000704388036 841525686 /nfs/dbraw/zinc/52/56/86/841525686.db2.gz SDOJTGGIIIIFNQ-LBPRGKRZSA-N 1 1 297.742 1.959 10 5 CDBEMO C[N@H+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCC1(C)C ZINC000866113165 841829677 /nfs/dbraw/zinc/82/96/77/841829677.db2.gz VHFWMRRDBQBDRX-UHFFFAOYSA-N 1 1 280.328 1.616 10 5 CDBEMO [NH3+][C@H]1C[C@H](NCCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000925515034 842210667 /nfs/dbraw/zinc/21/06/67/842210667.db2.gz RSESJKXXUIKWIX-KBPBESRZSA-N 1 1 275.352 1.997 10 5 CDBEMO N[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000925515034 842210681 /nfs/dbraw/zinc/21/06/81/842210681.db2.gz RSESJKXXUIKWIX-KBPBESRZSA-N 1 1 275.352 1.997 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823310413 842230057 /nfs/dbraw/zinc/23/00/57/842230057.db2.gz MKZYMVXWTYQQBI-JTQLQIEISA-N 1 1 257.334 1.032 10 5 CDBEMO Cn1cc(C[N@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)c([N+](=O)[O-])n1 ZINC001176621031 914190502 /nfs/dbraw/zinc/19/05/02/914190502.db2.gz WVLNRNXXTUHUQY-QMPIGLIWSA-N 1 1 288.351 1.972 10 5 CDBEMO CC(C)=CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001567641807 1168902648 /nfs/dbraw/zinc/90/26/48/1168902648.db2.gz UBYVTFOGPCLMGT-ZIAGYGMSSA-N 1 1 297.399 1.835 10 5 CDBEMO CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001567641807 1168902657 /nfs/dbraw/zinc/90/26/57/1168902657.db2.gz UBYVTFOGPCLMGT-ZIAGYGMSSA-N 1 1 297.399 1.835 10 5 CDBEMO CC(C)=CC[N@H+](CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001567641807 1168902664 /nfs/dbraw/zinc/90/26/64/1168902664.db2.gz UBYVTFOGPCLMGT-ZIAGYGMSSA-N 1 1 297.399 1.835 10 5 CDBEMO Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001481229872 899519890 /nfs/dbraw/zinc/51/98/90/899519890.db2.gz ZUMBGZKYAIJIPY-VXGBXAGGSA-N 1 1 297.380 1.270 10 5 CDBEMO COC(=O)C[C@@](C)([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC001197104362 925056779 /nfs/dbraw/zinc/05/67/79/925056779.db2.gz BPWHZKCLTGNKSU-CYBMUJFWSA-N 1 1 297.311 1.713 10 5 CDBEMO C[N@H+](CCNC(=O)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480835572 971901134 /nfs/dbraw/zinc/90/11/34/971901134.db2.gz LUPSSPZVYHIQEB-UHFFFAOYSA-N 1 1 277.324 1.553 10 5 CDBEMO C[N@@H+](CCNC(=O)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001480835572 971901137 /nfs/dbraw/zinc/90/11/37/971901137.db2.gz LUPSSPZVYHIQEB-UHFFFAOYSA-N 1 1 277.324 1.553 10 5 CDBEMO CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC1 ZINC001317539924 957537418 /nfs/dbraw/zinc/53/74/18/957537418.db2.gz BEENQDNATLPJJA-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO CCC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCC1 ZINC001317539924 957537422 /nfs/dbraw/zinc/53/74/22/957537422.db2.gz BEENQDNATLPJJA-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO CCC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCC1 ZINC001317539924 957537441 /nfs/dbraw/zinc/53/74/41/957537441.db2.gz BEENQDNATLPJJA-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC001559706513 960798083 /nfs/dbraw/zinc/79/80/83/960798083.db2.gz RPIMIQYQTUANSZ-LERXQTSPSA-N 1 1 280.324 1.331 10 5 CDBEMO Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001341389907 963396822 /nfs/dbraw/zinc/39/68/22/963396822.db2.gz YYJAGHTVVNMWAW-UHFFFAOYSA-N 1 1 261.241 1.004 10 5 CDBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001345216054 964635481 /nfs/dbraw/zinc/63/54/81/964635481.db2.gz TUCKLTRPZIWSCC-UONOGXRCSA-N 1 1 278.308 1.493 10 5 CDBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@]23CCOC3)c1 ZINC001345216054 964635489 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C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727074 342829800 /nfs/dbraw/zinc/82/98/00/342829800.db2.gz CBGUQVTUGBZHSK-QWRGUYRKSA-N 1 1 283.303 1.432 10 5 CDBEMO Cc1noc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000595287454 343023760 /nfs/dbraw/zinc/02/37/60/343023760.db2.gz CZIBRSCZYYGMIJ-UHFFFAOYSA-N 1 1 296.327 1.191 10 5 CDBEMO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595474307 343063606 /nfs/dbraw/zinc/06/36/06/343063606.db2.gz LDPQMQAEONNJQJ-RYUDHWBXSA-N 1 1 284.287 1.316 10 5 CDBEMO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595474307 343063608 /nfs/dbraw/zinc/06/36/08/343063608.db2.gz LDPQMQAEONNJQJ-RYUDHWBXSA-N 1 1 284.287 1.316 10 5 CDBEMO C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595523894 343088828 /nfs/dbraw/zinc/08/88/28/343088828.db2.gz VVVGRLANMQLTPW-NSHDSACASA-N 1 1 297.330 1.232 10 5 CDBEMO Cc1noc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1[N+](=O)[O-] ZINC000595771095 343147240 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C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295058209 199322551 /nfs/dbraw/zinc/32/25/51/199322551.db2.gz GHLJZKBNAUORSJ-CABCVRRESA-N 1 1 291.351 1.500 10 5 CDBEMO COC[C@](C)(CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000612402230 347147525 /nfs/dbraw/zinc/14/75/25/347147525.db2.gz ZOTMHGIFTFOMLT-LBPRGKRZSA-N 1 1 288.731 1.735 10 5 CDBEMO CC(C)C[N@H+]1CCO[C@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000066796844 350876400 /nfs/dbraw/zinc/87/64/00/350876400.db2.gz MBVLMPAPCVREHO-GFCCVEGCSA-N 1 1 294.355 1.759 10 5 CDBEMO Cc1cnc(CC[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000157465910 188318587 /nfs/dbraw/zinc/31/85/87/188318587.db2.gz VKIHVMIHUDSREF-UHFFFAOYSA-N 1 1 295.368 1.731 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCO[C@H](C3CCC3)C2)n1 ZINC000411837757 363350054 /nfs/dbraw/zinc/35/00/54/363350054.db2.gz ABGINYPVPHDYHV-LBPRGKRZSA-N 1 1 280.328 1.292 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCO[C@H](C3CCC3)C2)n1 ZINC000411837757 363350059 /nfs/dbraw/zinc/35/00/59/363350059.db2.gz ABGINYPVPHDYHV-LBPRGKRZSA-N 1 1 280.328 1.292 10 5 CDBEMO Cn1cc([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cn1 ZINC000176247527 358750258 /nfs/dbraw/zinc/75/02/58/358750258.db2.gz LZZANDDIHLTGMO-LLVKDONJSA-N 1 1 290.327 1.014 10 5 CDBEMO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178582070 189128723 /nfs/dbraw/zinc/12/87/23/189128723.db2.gz XXLHYHGFVORCPW-CABCVRRESA-N 1 1 291.351 1.408 10 5 CDBEMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000174872008 364586865 /nfs/dbraw/zinc/58/68/65/364586865.db2.gz BYKAGMLZDFHYQX-UHFFFAOYSA-N 1 1 282.344 1.681 10 5 CDBEMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCCO ZINC000276217229 193246812 /nfs/dbraw/zinc/24/68/12/193246812.db2.gz ARJJGUCGFLBGLZ-LLVKDONJSA-N 1 1 295.339 1.626 10 5 CDBEMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCCO ZINC000276375830 193307289 /nfs/dbraw/zinc/30/72/89/193307289.db2.gz KSUYKRQCFFSREC-LLVKDONJSA-N 1 1 295.339 1.626 10 5 CDBEMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cn1 ZINC000370514164 374393793 /nfs/dbraw/zinc/39/37/93/374393793.db2.gz MFXOPPJPAZZJLB-MNOVXSKESA-N 1 1 290.323 1.346 10 5 CDBEMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000543754767 374458742 /nfs/dbraw/zinc/45/87/42/374458742.db2.gz GNBKXXCLFXEDJD-SNVBAGLBSA-N 1 1 290.323 1.370 10 5 CDBEMO NC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000117879551 374603205 /nfs/dbraw/zinc/60/32/05/374603205.db2.gz YIAFVEHWIONLJF-MRVPVSSYSA-N 1 1 283.715 1.555 10 5 CDBEMO NC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000117879551 374603216 /nfs/dbraw/zinc/60/32/16/374603216.db2.gz YIAFVEHWIONLJF-MRVPVSSYSA-N 1 1 283.715 1.555 10 5 CDBEMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000377553061 374607377 /nfs/dbraw/zinc/60/73/77/374607377.db2.gz GNUKGOGAWGJZAR-JTQLQIEISA-N 1 1 285.250 1.274 10 5 CDBEMO COc1cc(C[N@H+](CC(N)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000351971193 375054118 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Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)cc1[N+](=O)[O-] ZINC001620677754 1172604465 /nfs/dbraw/zinc/60/44/65/1172604465.db2.gz WWTSBIPLDFHHSQ-ZIAGYGMSSA-N 1 1 294.351 1.326 10 5 CDBEMO O=[N+]([O-])c1c(F)cccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000371803855 285076984 /nfs/dbraw/zinc/07/69/84/285076984.db2.gz RYLLNKJFURTRAJ-JTQLQIEISA-N 1 1 281.287 1.255 10 5 CDBEMO O=[N+]([O-])c1c(F)cccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000371803855 285076985 /nfs/dbraw/zinc/07/69/85/285076985.db2.gz RYLLNKJFURTRAJ-JTQLQIEISA-N 1 1 281.287 1.255 10 5 CDBEMO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCNC1=O ZINC000281664096 195326982 /nfs/dbraw/zinc/32/69/82/195326982.db2.gz COTJHCDFDORVGU-ZDUSSCGKSA-N 1 1 277.324 1.614 10 5 CDBEMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCNC1=O ZINC000281664096 195326985 /nfs/dbraw/zinc/32/69/85/195326985.db2.gz COTJHCDFDORVGU-ZDUSSCGKSA-N 1 1 277.324 1.614 10 5 CDBEMO Cc1cc(N[C@@H]2CCc3[nH]cnc3C2)ncc1[N+](=O)[O-] ZINC000370864259 390610976 /nfs/dbraw/zinc/61/09/76/390610976.db2.gz YPMWAUVBFXJMMB-SECBINFHSA-N 1 1 273.296 1.991 10 5 CDBEMO Cc1cc(N[C@@H]2CCc3[nH+]c[nH]c3C2)ncc1[N+](=O)[O-] ZINC000370864259 390610980 /nfs/dbraw/zinc/61/09/80/390610980.db2.gz YPMWAUVBFXJMMB-SECBINFHSA-N 1 1 273.296 1.991 10 5 CDBEMO Cc1cc(N[C@@H]2CCc3[nH]c[nH+]c3C2)ncc1[N+](=O)[O-] ZINC000370864259 390610984 /nfs/dbraw/zinc/61/09/84/390610984.db2.gz YPMWAUVBFXJMMB-SECBINFHSA-N 1 1 273.296 1.991 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000449677683 391268155 /nfs/dbraw/zinc/26/81/55/391268155.db2.gz NJOPYWJZJBTKFA-DOMZBBRYSA-N 1 1 294.351 1.875 10 5 CDBEMO C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304304824 130071503 /nfs/dbraw/zinc/07/15/03/130071503.db2.gz JLLONIKTCPLJGM-NTZNESFSSA-N 1 1 282.344 1.273 10 5 CDBEMO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C)C1 ZINC000532138464 393068162 /nfs/dbraw/zinc/06/81/62/393068162.db2.gz MDTLZPQFQAXHSA-LLVKDONJSA-N 1 1 278.312 1.156 10 5 CDBEMO C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093345022 147049499 /nfs/dbraw/zinc/04/94/99/147049499.db2.gz VWCZPBSFCRGFPU-FZMZJTMJSA-N 1 1 264.325 1.840 10 5 CDBEMO CC[N@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@H](C)C1 ZINC000343252308 152086078 /nfs/dbraw/zinc/08/60/78/152086078.db2.gz QINBETPCCNEIKE-SNVBAGLBSA-N 1 1 290.327 1.168 10 5 CDBEMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000044725679 175238018 /nfs/dbraw/zinc/23/80/18/175238018.db2.gz BKLMEJHLYBJWNX-JTQLQIEISA-N 1 1 293.298 1.700 10 5 CDBEMO CN(C[C@H]1CC[N@@H+](C)C1)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000071189465 176064346 /nfs/dbraw/zinc/06/43/46/176064346.db2.gz NAASENWEWHZXFK-LBPRGKRZSA-N 1 1 277.324 1.795 10 5 CDBEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000071189330 176064480 /nfs/dbraw/zinc/06/44/80/176064480.db2.gz YZTUYGLEQDTAEM-SNVBAGLBSA-N 1 1 295.314 1.758 10 5 CDBEMO Cc1c(C[N@H+]2CCC[C@@](O)(CO)C2)cccc1[N+](=O)[O-] ZINC000313683658 261123967 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O=[N+]([O-])CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000791051617 1162186967 /nfs/dbraw/zinc/18/69/67/1162186967.db2.gz GUZCEVLAZNLYIS-LLVKDONJSA-N 1 1 264.281 1.829 10 5 CDBEMO CCOC(=O)[C@H]([NH3+])CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000062540305 521258122 /nfs/dbraw/zinc/25/81/22/521258122.db2.gz KVNPSPMVJIKUPH-SNVBAGLBSA-N 1 1 298.295 1.263 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000161012521 527407310 /nfs/dbraw/zinc/40/73/10/527407310.db2.gz QHTQOSAZRNWUML-TZMCWYRMSA-N 1 1 294.355 1.418 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000157799219 527413598 /nfs/dbraw/zinc/41/35/98/527413598.db2.gz SMURERFYQABDTB-QWHCGFSZSA-N 1 1 280.328 1.435 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000157799219 527413605 /nfs/dbraw/zinc/41/36/05/527413605.db2.gz SMURERFYQABDTB-QWHCGFSZSA-N 1 1 280.328 1.435 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928439242 619083333 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CC[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000712618230 844597725 /nfs/dbraw/zinc/59/77/25/844597725.db2.gz VSRHLMYCGATVRW-SNVBAGLBSA-N 1 1 250.302 1.804 10 5 CDBEMO CO[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000784364757 843390754 /nfs/dbraw/zinc/39/07/54/843390754.db2.gz IPNXIOOBYIJUBO-KCPJHIHWSA-N 1 1 294.351 1.985 10 5 CDBEMO C[N@@H+]1C[C@H]2[C@@H](CCN2C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794949521 843851891 /nfs/dbraw/zinc/85/18/91/843851891.db2.gz QPEFSGWKYWLYIK-QEJZJMRPSA-N 1 1 291.351 1.264 10 5 CDBEMO CN1C[C@H]2[C@@H](CC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794949521 843851892 /nfs/dbraw/zinc/85/18/92/843851892.db2.gz QPEFSGWKYWLYIK-QEJZJMRPSA-N 1 1 291.351 1.264 10 5 CDBEMO CN1C[C@H]2[C@@H](CC[N@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794949521 843851896 /nfs/dbraw/zinc/85/18/96/843851896.db2.gz QPEFSGWKYWLYIK-QEJZJMRPSA-N 1 1 291.351 1.264 10 5 CDBEMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823997348 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Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1CO ZINC000183296081 525564710 /nfs/dbraw/zinc/56/47/10/525564710.db2.gz MFKKJLLNTXTEQT-ZDUSSCGKSA-N 1 1 250.298 1.860 10 5 CDBEMO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+](C)C1 ZINC000052812565 525577988 /nfs/dbraw/zinc/57/79/88/525577988.db2.gz YIYVGAXNICMNFD-JTQLQIEISA-N 1 1 250.302 1.804 10 5 CDBEMO CC1(C)CC[N@@H+](CCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001651507133 1171330475 /nfs/dbraw/zinc/33/04/75/1171330475.db2.gz MBHXMQFOMFLPMD-UHFFFAOYSA-N 1 1 280.332 1.111 10 5 CDBEMO CCc1nn(C)c(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001655904600 1171741860 /nfs/dbraw/zinc/74/18/60/1171741860.db2.gz NIDRVKTYSQDKLG-YGRLFVJLSA-N 1 1 293.371 1.279 10 5 CDBEMO Cc1nn(C)c(N[C@H]2CC[N@@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000719622511 698067753 /nfs/dbraw/zinc/06/77/53/698067753.db2.gz FVNFOUKXHGVDGN-IUCAKERBSA-N 1 1 253.306 1.141 10 5 CDBEMO C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000814038970 698624488 /nfs/dbraw/zinc/62/44/88/698624488.db2.gz JOLXWMJVEKMXQR-OCCSQVGLSA-N 1 1 292.335 1.859 10 5 CDBEMO C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000814038970 698624504 /nfs/dbraw/zinc/62/45/04/698624504.db2.gz JOLXWMJVEKMXQR-OCCSQVGLSA-N 1 1 292.335 1.859 10 5 CDBEMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866206729 698864720 /nfs/dbraw/zinc/86/47/20/698864720.db2.gz FUHKCIWDXAOEOP-NEPJUHHUSA-N 1 1 293.371 1.650 10 5 CDBEMO C[N@H+]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001645237031 1167379848 /nfs/dbraw/zinc/37/98/48/1167379848.db2.gz JYUOWWQKKVPKQP-LBPRGKRZSA-N 1 1 277.324 1.665 10 5 CDBEMO Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000719623313 848535267 /nfs/dbraw/zinc/53/52/67/848535267.db2.gz IRICBJSXEANPFP-UWVGGRQHSA-N 1 1 250.302 1.803 10 5 CDBEMO Cc1ccc(C[NH2+][C@H](C)c2cnnn2C)cc1[N+](=O)[O-] ZINC000926797927 848870791 /nfs/dbraw/zinc/87/07/91/848870791.db2.gz WUYNTLYFVDPZLA-SNVBAGLBSA-N 1 1 275.312 1.883 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000846220338 849191507 /nfs/dbraw/zinc/19/15/07/849191507.db2.gz GKLNGQHATGVIFL-NSHDSACASA-N 1 1 287.266 1.339 10 5 CDBEMO COc1ccc(C[N@@H+](CC[N+](=O)[O-])[C@H](C)CCCO)cc1 ZINC000931471802 849726006 /nfs/dbraw/zinc/72/60/06/849726006.db2.gz PNJRRHJGQRYCMY-CYBMUJFWSA-N 1 1 296.367 1.935 10 5 CDBEMO CCCC(=O)NCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267183119 897040820 /nfs/dbraw/zinc/04/08/20/897040820.db2.gz GGSQSNVXEGMWIG-UHFFFAOYSA-N 1 1 279.340 1.943 10 5 CDBEMO CCCC(=O)NCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001267183119 897040827 /nfs/dbraw/zinc/04/08/27/897040827.db2.gz GGSQSNVXEGMWIG-UHFFFAOYSA-N 1 1 279.340 1.943 10 5 CDBEMO C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001119572444 937734006 /nfs/dbraw/zinc/73/40/06/937734006.db2.gz HIWGUUZTKXDXLJ-CHWSQXEVSA-N 1 1 297.399 1.478 10 5 CDBEMO C[C@@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000719607891 934857238 /nfs/dbraw/zinc/85/72/38/934857238.db2.gz COZWUXICPAMFAZ-RNCFNFMXSA-N 1 1 267.304 1.916 10 5 CDBEMO C[C@@H]1[C@@H](NCc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000719607891 934857242 /nfs/dbraw/zinc/85/72/42/934857242.db2.gz COZWUXICPAMFAZ-RNCFNFMXSA-N 1 1 267.304 1.916 10 5 CDBEMO C[C@H]([C@H](C)O)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001559594350 960792361 /nfs/dbraw/zinc/79/23/61/960792361.db2.gz NQIRTFCSJJRRON-ZJUUUORDSA-N 1 1 250.298 1.722 10 5 CDBEMO C[C@@](CO)([NH2+]CC1=NOCC1)c1cccc([N+](=O)[O-])c1 ZINC001460622855 969527962 /nfs/dbraw/zinc/52/79/62/969527962.db2.gz XVNWSWZTQCVTJM-ZDUSSCGKSA-N 1 1 279.296 1.168 10 5 CDBEMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(C)(C)O ZINC001473125373 970758090 /nfs/dbraw/zinc/75/80/90/970758090.db2.gz RWOSVAGVDPYKKF-AWEZNQCLSA-N 1 1 296.367 1.937 10 5 CDBEMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001473147277 970760760 /nfs/dbraw/zinc/76/07/60/970760760.db2.gz HJMSTLYHYBCRGS-ZJUUUORDSA-N 1 1 278.312 1.076 10 5 CDBEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001473147274 970761112 /nfs/dbraw/zinc/76/11/12/970761112.db2.gz HJMSTLYHYBCRGS-NXEZZACHSA-N 1 1 278.312 1.076 10 5 CDBEMO NC(=O)CC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001653156492 1171510645 /nfs/dbraw/zinc/51/06/45/1171510645.db2.gz IYXDKLHZPVPJGN-UHFFFAOYSA-N 1 1 278.312 1.077 10 5 CDBEMO C[C@@H](O)[C@@H](C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001653400143 1171540274 /nfs/dbraw/zinc/54/02/74/1171540274.db2.gz MSBUYWKFSAAUHS-GHMZBOCLSA-N 1 1 252.314 1.838 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001655920628 1171744197 /nfs/dbraw/zinc/74/41/97/1171744197.db2.gz GVOHZVVTFDXDEH-QWRGUYRKSA-N 1 1 283.278 1.966 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001655920628 1171744198 /nfs/dbraw/zinc/74/41/98/1171744198.db2.gz GVOHZVVTFDXDEH-QWRGUYRKSA-N 1 1 283.278 1.966 10 5 CDBEMO Cn1cc[nH+]c1[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601134813 342475600 /nfs/dbraw/zinc/47/56/00/342475600.db2.gz IJVCEJUZKZRYLN-VIFPVBQESA-N 1 1 291.286 1.856 10 5 CDBEMO COCC[N@H+]1CCCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000601105108 342466591 /nfs/dbraw/zinc/46/65/91/342466591.db2.gz VMINTSRMTGJHBX-UHFFFAOYSA-N 1 1 285.369 1.815 10 5 CDBEMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000600472399 342215480 /nfs/dbraw/zinc/21/54/80/342215480.db2.gz XKOVCABGCAVSII-SNVBAGLBSA-N 1 1 293.327 1.065 10 5 CDBEMO CC[C@H](NC[C@H](O)C[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000593969889 342858873 /nfs/dbraw/zinc/85/88/73/342858873.db2.gz FEHDSMSRZSDEBN-GJZGRUSLSA-N 1 1 295.383 1.948 10 5 CDBEMO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[C@H]1O ZINC000595748863 343151373 /nfs/dbraw/zinc/15/13/73/343151373.db2.gz ITLMATRCVSETMD-JYAVWHMHSA-N 1 1 294.351 1.922 10 5 CDBEMO C[N@H+]1C[C@@H]2CCCN(c3ccc(N)c([N+](=O)[O-])n3)[C@@H]2C1 ZINC000596281065 343286932 /nfs/dbraw/zinc/28/69/32/343286932.db2.gz HUVJPGQCIKIKJE-GXSJLCMTSA-N 1 1 277.328 1.102 10 5 CDBEMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cccnc1[N+](=O)[O-] ZINC000596362864 343310516 /nfs/dbraw/zinc/31/05/16/343310516.db2.gz DKFCBPAHFNHPLH-LBPRGKRZSA-N 1 1 295.387 1.674 10 5 CDBEMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cccnc1[N+](=O)[O-] ZINC000596362864 343310517 /nfs/dbraw/zinc/31/05/17/343310517.db2.gz DKFCBPAHFNHPLH-LBPRGKRZSA-N 1 1 295.387 1.674 10 5 CDBEMO CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@@H+](CC)C1 ZINC000598040224 343703110 /nfs/dbraw/zinc/70/31/10/343703110.db2.gz FBOTYVKPLARMLW-JTQLQIEISA-N 1 1 280.328 1.479 10 5 CDBEMO COC(=O)c1ccnc(NC[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000598587434 343835730 /nfs/dbraw/zinc/83/57/30/343835730.db2.gz AEJLAMPNGKASER-SECBINFHSA-N 1 1 294.311 1.283 10 5 CDBEMO [NH3+][C@]12CCC[C@H]1CN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000598684372 343865169 /nfs/dbraw/zinc/86/51/69/343865169.db2.gz WIDFZLHXKVOVFP-FZMZJTMJSA-N 1 1 277.324 1.614 10 5 CDBEMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCCC2)s1 ZINC000599165711 343972975 /nfs/dbraw/zinc/97/29/75/343972975.db2.gz QYTVIHKFJBHCSG-SNVBAGLBSA-N 1 1 282.369 1.902 10 5 CDBEMO COc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000602929975 344661160 /nfs/dbraw/zinc/66/11/60/344661160.db2.gz BRYYHCZWFJVVLP-ZYHUDNBSSA-N 1 1 280.324 1.949 10 5 CDBEMO COc1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000602929975 344661163 /nfs/dbraw/zinc/66/11/63/344661163.db2.gz BRYYHCZWFJVVLP-ZYHUDNBSSA-N 1 1 280.324 1.949 10 5 CDBEMO Cc1c(C(=O)N[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000604199171 344865746 /nfs/dbraw/zinc/86/57/46/344865746.db2.gz NUTHZEXHNJGVNP-NSHDSACASA-N 1 1 277.324 1.727 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604562613 344901117 /nfs/dbraw/zinc/90/11/17/344901117.db2.gz NPHZUUZJXZYSFM-LLVKDONJSA-N 1 1 277.324 1.727 10 5 CDBEMO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000293033712 362526825 /nfs/dbraw/zinc/52/68/25/362526825.db2.gz QAZMKPUMAGZSFG-QWRGUYRKSA-N 1 1 289.335 1.824 10 5 CDBEMO C[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000293033712 362526826 /nfs/dbraw/zinc/52/68/26/362526826.db2.gz QAZMKPUMAGZSFG-QWRGUYRKSA-N 1 1 289.335 1.824 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC(N)=O ZINC000016420382 348528050 /nfs/dbraw/zinc/52/80/50/348528050.db2.gz QFOOSIRIHDDVET-SECBINFHSA-N 1 1 251.286 1.463 10 5 CDBEMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000046859692 348798576 /nfs/dbraw/zinc/79/85/76/348798576.db2.gz LMMDLMXTZCWARA-JTQLQIEISA-N 1 1 280.328 1.527 10 5 CDBEMO C[C@H]1CC[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551316 180003073 /nfs/dbraw/zinc/00/30/73/180003073.db2.gz ICRMEBJDCUEBSZ-RYUDHWBXSA-N 1 1 279.340 1.877 10 5 CDBEMO C[C@@H](O)C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000105824137 186073988 /nfs/dbraw/zinc/07/39/88/186073988.db2.gz MLHHJNBCTSRHEY-GHMZBOCLSA-N 1 1 299.396 1.543 10 5 CDBEMO CC[C@@H]1CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000292411279 198278312 /nfs/dbraw/zinc/27/83/12/198278312.db2.gz MBKLXZNAXPULFX-VXGBXAGGSA-N 1 1 280.324 1.819 10 5 CDBEMO C[N@H+]1CC[C@@H]2OCCN(c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284577924 283090587 /nfs/dbraw/zinc/09/05/87/283090587.db2.gz OYAWUIZTWXFING-KGLIPLIRSA-N 1 1 277.324 1.504 10 5 CDBEMO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000401510428 356253140 /nfs/dbraw/zinc/25/31/40/356253140.db2.gz VNFFJXYPXTYODG-PWSUYJOCSA-N 1 1 280.324 1.806 10 5 CDBEMO CC(C)[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000273580487 192213640 /nfs/dbraw/zinc/21/36/40/192213640.db2.gz FRXWZZQJIFTASJ-VIFPVBQESA-N 1 1 251.290 1.279 10 5 CDBEMO CC[N@H+](CC=C(C)C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001660525358 1172229135 /nfs/dbraw/zinc/22/91/35/1172229135.db2.gz UWEVXHPSOODCRI-CHWSQXEVSA-N 1 1 283.372 1.446 10 5 CDBEMO CC[N@H+](CC=C(C)C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001660525358 1172229122 /nfs/dbraw/zinc/22/91/22/1172229122.db2.gz UWEVXHPSOODCRI-CHWSQXEVSA-N 1 1 283.372 1.446 10 5 CDBEMO CC[N@@H+](CC=C(C)C)CCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001660525358 1172229131 /nfs/dbraw/zinc/22/91/31/1172229131.db2.gz UWEVXHPSOODCRI-CHWSQXEVSA-N 1 1 283.372 1.446 10 5 CDBEMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000339137819 359299771 /nfs/dbraw/zinc/29/97/71/359299771.db2.gz WGPSZMVRXLVQGZ-GFCCVEGCSA-N 1 1 277.324 1.825 10 5 CDBEMO CCc1nn(C)c(N[C@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000368185558 371821892 /nfs/dbraw/zinc/82/18/92/371821892.db2.gz UVRLZHRTOMXTAE-QMMMGPOBSA-N 1 1 290.327 1.583 10 5 CDBEMO CCc1nn(C)c(N[C@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000368185558 371821894 /nfs/dbraw/zinc/82/18/94/371821894.db2.gz UVRLZHRTOMXTAE-QMMMGPOBSA-N 1 1 290.327 1.583 10 5 CDBEMO Cc1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000374917603 374491454 /nfs/dbraw/zinc/49/14/54/374491454.db2.gz YTSNFLNADTWAJL-LBPRGKRZSA-N 1 1 277.324 1.424 10 5 CDBEMO Cc1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000374917603 374491457 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C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC001559706514 960794700 /nfs/dbraw/zinc/79/47/00/960794700.db2.gz RPIMIQYQTUANSZ-SWHYSGLUSA-N 1 1 280.324 1.331 10 5 CDBEMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC001559706511 960798503 /nfs/dbraw/zinc/79/85/03/960798503.db2.gz RPIMIQYQTUANSZ-DDTOSNHZSA-N 1 1 280.324 1.331 10 5 CDBEMO CC[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC001559768375 960811413 /nfs/dbraw/zinc/81/14/13/960811413.db2.gz FTLOXGPEOKCXBB-WZRBSPASSA-N 1 1 282.344 1.273 10 5 CDBEMO O=C(CC[N@H+]1CC[C@@H](F)C1)NCc1ccccc1[N+](=O)[O-] ZINC001543062390 967265337 /nfs/dbraw/zinc/26/53/37/967265337.db2.gz BPSKSOGFUORMBC-GFCCVEGCSA-N 1 1 295.314 1.645 10 5 CDBEMO O=[N+]([O-])c1cnccc1N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001458662384 969333178 /nfs/dbraw/zinc/33/31/78/969333178.db2.gz KPWUHBLXSHJQIX-UWVGGRQHSA-N 1 1 266.276 1.222 10 5 CDBEMO O=[N+]([O-])c1cnccc1N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001458662384 969333184 /nfs/dbraw/zinc/33/31/84/969333184.db2.gz KPWUHBLXSHJQIX-UWVGGRQHSA-N 1 1 266.276 1.222 10 5 CDBEMO CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001675739428 1174143827 /nfs/dbraw/zinc/14/38/27/1174143827.db2.gz DYZOXVLIUHITPS-DNLLBMQLSA-N 1 1 295.383 1.492 10 5 CDBEMO Cn1cc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001651927934 1171377241 /nfs/dbraw/zinc/37/72/41/1171377241.db2.gz FDQBOXVYGMRICZ-JTQLQIEISA-N 1 1 267.333 1.472 10 5 CDBEMO COCC[N@H+]1CC[C@H](Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601116338 342470928 /nfs/dbraw/zinc/47/09/28/342470928.db2.gz RGYJBCZMYLTOQA-JTQLQIEISA-N 1 1 284.291 1.262 10 5 CDBEMO C[N@H+]1CC[C@H](CNc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401277034 342485274 /nfs/dbraw/zinc/48/52/74/342485274.db2.gz WNUHZSHKYYCPQD-MRVPVSSYSA-N 1 1 254.265 1.493 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2CC(O)C2)c1 ZINC000589510332 342508191 /nfs/dbraw/zinc/50/81/91/342508191.db2.gz JFLYJVHNLCAGCO-UHFFFAOYSA-N 1 1 294.307 1.337 10 5 CDBEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2CC(O)C2)c1 ZINC000589510332 342508192 /nfs/dbraw/zinc/50/81/92/342508192.db2.gz JFLYJVHNLCAGCO-UHFFFAOYSA-N 1 1 294.307 1.337 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333898 342554960 /nfs/dbraw/zinc/55/49/60/342554960.db2.gz IFHNGXGTQDECEG-FZMZJTMJSA-N 1 1 291.351 1.874 10 5 CDBEMO C[NH2+]CCOCCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000600725518 342245160 /nfs/dbraw/zinc/24/51/60/342245160.db2.gz FJZWZTKQILVWAR-LBPRGKRZSA-N 1 1 281.356 1.824 10 5 CDBEMO COc1c(C(=O)N[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000619434948 349708088 /nfs/dbraw/zinc/70/80/88/349708088.db2.gz TWYABMZRGMUKGC-JTQLQIEISA-N 1 1 293.323 1.427 10 5 CDBEMO Cc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000405252573 349782021 /nfs/dbraw/zinc/78/20/21/349782021.db2.gz DRQXBWZNFDTDPF-WDEREUQCSA-N 1 1 295.314 1.298 10 5 CDBEMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCOCC1 ZINC000078548705 342338182 /nfs/dbraw/zinc/33/81/82/342338182.db2.gz BMKMPMWYLICNTF-ZDUSSCGKSA-N 1 1 294.355 1.759 10 5 CDBEMO O=C1CC[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595743863 343150324 /nfs/dbraw/zinc/15/03/24/343150324.db2.gz RQONRVOIDUBUJK-QWRGUYRKSA-N 1 1 295.364 1.757 10 5 CDBEMO O=C1CC[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595743863 343150325 /nfs/dbraw/zinc/15/03/25/343150325.db2.gz RQONRVOIDUBUJK-QWRGUYRKSA-N 1 1 295.364 1.757 10 5 CDBEMO Cc1noc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000595827425 343167438 /nfs/dbraw/zinc/16/74/38/343167438.db2.gz PNBIQLRCHZPHST-NXEZZACHSA-N 1 1 267.285 1.360 10 5 CDBEMO Cc1noc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1[N+](=O)[O-] ZINC000595827425 343167439 /nfs/dbraw/zinc/16/74/39/343167439.db2.gz PNBIQLRCHZPHST-NXEZZACHSA-N 1 1 267.285 1.360 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596439931 343321910 /nfs/dbraw/zinc/32/19/10/343321910.db2.gz HMIBJMKSZIVHPU-SECBINFHSA-N 1 1 280.328 1.526 10 5 CDBEMO CC(C)(C)[N@H+]1CC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000596308144 343293526 /nfs/dbraw/zinc/29/35/26/343293526.db2.gz FNLGHQAUBNZNEC-QMMMGPOBSA-N 1 1 270.358 1.758 10 5 CDBEMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000597946376 343676048 /nfs/dbraw/zinc/67/60/48/343676048.db2.gz PSBXZVBQMXNKCM-AWEZNQCLSA-N 1 1 291.351 1.690 10 5 CDBEMO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599054992 343946604 /nfs/dbraw/zinc/94/66/04/343946604.db2.gz LQYWKYXDBKCKNM-GXFFZTMASA-N 1 1 290.323 1.713 10 5 CDBEMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000617350357 345191580 /nfs/dbraw/zinc/19/15/80/345191580.db2.gz DGWLVADKLNYZIN-JTQLQIEISA-N 1 1 293.323 1.427 10 5 CDBEMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000610709955 346367764 /nfs/dbraw/zinc/36/77/64/346367764.db2.gz QAULDDGHTILXSJ-SKDRFNHKSA-N 1 1 262.313 1.884 10 5 CDBEMO NC(=O)C[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000339134983 283295287 /nfs/dbraw/zinc/29/52/87/283295287.db2.gz BWHBRMQLPYGTTA-CQSZACIVSA-N 1 1 291.351 1.867 10 5 CDBEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000000083358 358392120 /nfs/dbraw/zinc/39/21/20/358392120.db2.gz GIIYNQKTYHZSAK-QXMXGUDHSA-N 1 1 289.335 1.950 10 5 CDBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000408209632 358400346 /nfs/dbraw/zinc/40/03/46/358400346.db2.gz UXAXRDNQXPJNCB-SECBINFHSA-N 1 1 296.302 1.902 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000408209632 358400350 /nfs/dbraw/zinc/40/03/50/358400350.db2.gz UXAXRDNQXPJNCB-SECBINFHSA-N 1 1 296.302 1.902 10 5 CDBEMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])nc2)CC[N@H+]1C ZINC000581469701 363994639 /nfs/dbraw/zinc/99/46/39/363994639.db2.gz ZCEIHCXUHGOOPE-MNOVXSKESA-N 1 1 264.329 1.909 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356845547 375864827 /nfs/dbraw/zinc/86/48/27/375864827.db2.gz HMXRJTYFYZNRMT-GHMZBOCLSA-N 1 1 292.339 1.463 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000356845547 375864830 /nfs/dbraw/zinc/86/48/30/375864830.db2.gz HMXRJTYFYZNRMT-GHMZBOCLSA-N 1 1 292.339 1.463 10 5 CDBEMO CC[C@H](C)[N@@H+](C)CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000357236607 375892888 /nfs/dbraw/zinc/89/28/88/375892888.db2.gz KTEQATCYBDEBFP-JTQLQIEISA-N 1 1 292.343 1.202 10 5 CDBEMO O=[N+]([O-])c1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171638187 376880339 /nfs/dbraw/zinc/88/03/39/376880339.db2.gz FXIWLQQDXXMLCG-CQSZACIVSA-N 1 1 261.325 1.875 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278746846 194135904 /nfs/dbraw/zinc/13/59/04/194135904.db2.gz AQLPDFWCVYNALO-XHDPSFHLSA-N 1 1 289.335 1.868 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000450533979 251327349 /nfs/dbraw/zinc/32/73/49/251327349.db2.gz ZIAMKIULPYGUAQ-MRVPVSSYSA-N 1 1 259.269 1.682 10 5 CDBEMO O=[N+]([O-])c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000450533979 251327353 /nfs/dbraw/zinc/32/73/53/251327353.db2.gz ZIAMKIULPYGUAQ-MRVPVSSYSA-N 1 1 259.269 1.682 10 5 CDBEMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000364435601 390964454 /nfs/dbraw/zinc/96/44/54/390964454.db2.gz SQDNSBAACSCHBC-CYBMUJFWSA-N 1 1 278.308 1.430 10 5 CDBEMO CC(C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000438499951 391337530 /nfs/dbraw/zinc/33/75/30/391337530.db2.gz XYQYTKPEPVIJOZ-NSHDSACASA-N 1 1 252.318 1.769 10 5 CDBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408153164 391432041 /nfs/dbraw/zinc/43/20/41/391432041.db2.gz IVSJSBGHYZTNSO-VHSXEESVSA-N 1 1 278.312 1.232 10 5 CDBEMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000548826155 392513771 /nfs/dbraw/zinc/51/37/71/392513771.db2.gz XDOAOQIASJYGKL-LLVKDONJSA-N 1 1 277.324 1.553 10 5 CDBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000421003855 392926012 /nfs/dbraw/zinc/92/60/12/392926012.db2.gz SEMWVODIOQNRBB-GFCCVEGCSA-N 1 1 279.340 1.826 10 5 CDBEMO CN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1CCC[N@H+]1C ZINC000421003855 392926014 /nfs/dbraw/zinc/92/60/14/392926014.db2.gz SEMWVODIOQNRBB-GFCCVEGCSA-N 1 1 279.340 1.826 10 5 CDBEMO CNC(=O)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000421387670 392932510 /nfs/dbraw/zinc/93/25/10/392932510.db2.gz PDQPZCWPORDRPD-DIECRNLCSA-N 1 1 289.335 1.676 10 5 CDBEMO CC1=C[C@@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000430286501 393096645 /nfs/dbraw/zinc/09/66/45/393096645.db2.gz UJEHSSDFVNEHNW-LLVKDONJSA-N 1 1 277.324 1.655 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138834 393067118 /nfs/dbraw/zinc/06/71/18/393067118.db2.gz IQJYPGVGQRFZBD-ZWNOBZJWSA-N 1 1 292.339 1.402 10 5 CDBEMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397375 393072916 /nfs/dbraw/zinc/07/29/16/393072916.db2.gz QWTPUNURMBTYQJ-ZANVPECISA-N 1 1 290.323 1.202 10 5 CDBEMO COc1cc(C[N@H+](CC(N)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000352535061 155255460 /nfs/dbraw/zinc/25/54/60/155255460.db2.gz LYBHZDDSLCLCCR-UHFFFAOYSA-N 1 1 295.339 1.689 10 5 CDBEMO COc1cc(C[N@@H+](CC(N)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000352535061 155255461 /nfs/dbraw/zinc/25/54/61/155255461.db2.gz LYBHZDDSLCLCCR-UHFFFAOYSA-N 1 1 295.339 1.689 10 5 CDBEMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408024082 160682785 /nfs/dbraw/zinc/68/27/85/160682785.db2.gz XXODGCPZUIBKRL-JTQLQIEISA-N 1 1 278.312 1.233 10 5 CDBEMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000408024082 160682787 /nfs/dbraw/zinc/68/27/87/160682787.db2.gz XXODGCPZUIBKRL-JTQLQIEISA-N 1 1 278.312 1.233 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)n1 ZINC000285703585 196372822 /nfs/dbraw/zinc/37/28/22/196372822.db2.gz CVKKDXBJWRLPLH-LLVKDONJSA-N 1 1 276.300 1.352 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2c2cc[nH]n2)n1 ZINC000285703585 196372823 /nfs/dbraw/zinc/37/28/23/196372823.db2.gz CVKKDXBJWRLPLH-LLVKDONJSA-N 1 1 276.300 1.352 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2cc[nH]n2)n1 ZINC000285703590 196373162 /nfs/dbraw/zinc/37/31/62/196373162.db2.gz CVKKDXBJWRLPLH-NSHDSACASA-N 1 1 276.300 1.352 10 5 CDBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2c2cc[nH]n2)n1 ZINC000285703590 196373164 /nfs/dbraw/zinc/37/31/64/196373164.db2.gz CVKKDXBJWRLPLH-NSHDSACASA-N 1 1 276.300 1.352 10 5 CDBEMO NC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037403668 173179991 /nfs/dbraw/zinc/17/99/91/173179991.db2.gz OAPXECXACCEVPQ-SECBINFHSA-N 1 1 297.742 1.946 10 5 CDBEMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037403668 173179993 /nfs/dbraw/zinc/17/99/93/173179993.db2.gz OAPXECXACCEVPQ-SECBINFHSA-N 1 1 297.742 1.946 10 5 CDBEMO [NH3+][C@H](CCO)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000040710742 174381052 /nfs/dbraw/zinc/38/10/52/174381052.db2.gz HDHYKRZHZIJOLT-SECBINFHSA-N 1 1 264.241 1.027 10 5 CDBEMO C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000006995756 273899077 /nfs/dbraw/zinc/89/90/77/273899077.db2.gz RRROTSVBTCJGJC-UHFFFAOYSA-N 1 1 272.308 1.895 10 5 CDBEMO COc1cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000450775063 274096958 /nfs/dbraw/zinc/09/69/58/274096958.db2.gz DRYKOZBJWJDAKF-TVQRCGJNSA-N 1 1 295.314 1.883 10 5 CDBEMO CCOC(=O)[C@@H]([NH3+])CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000062539904 521071760 /nfs/dbraw/zinc/07/17/60/521071760.db2.gz QWKBDKQRTOLVPU-JTQLQIEISA-N 1 1 282.296 1.563 10 5 CDBEMO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000049198246 519814671 /nfs/dbraw/zinc/81/46/71/519814671.db2.gz GDIKNAFTVCBMQQ-NSHDSACASA-N 1 1 255.318 1.864 10 5 CDBEMO CNc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000061711606 522609286 /nfs/dbraw/zinc/60/92/86/522609286.db2.gz GCSUZVWIEGYDRL-SNVBAGLBSA-N 1 1 251.286 1.203 10 5 CDBEMO C[C@@H](O)c1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000048994614 525870339 /nfs/dbraw/zinc/87/03/39/525870339.db2.gz RTZCNTBEYUMHLI-LLVKDONJSA-N 1 1 291.351 1.933 10 5 CDBEMO Cc1[nH+]ccn1CCOC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000772000575 575647281 /nfs/dbraw/zinc/64/72/81/575647281.db2.gz CEQVYACQPWZGMM-UHFFFAOYSA-N 1 1 276.252 1.352 10 5 CDBEMO C[N@@H+](CCCCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339120737 617452141 /nfs/dbraw/zinc/45/21/41/617452141.db2.gz SNHBNXOWIXDWPK-UHFFFAOYSA-N 1 1 254.286 1.505 10 5 CDBEMO CN(CCCCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339120737 617452143 /nfs/dbraw/zinc/45/21/43/617452143.db2.gz SNHBNXOWIXDWPK-UHFFFAOYSA-N 1 1 254.286 1.505 10 5 CDBEMO Cc1sc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928449750 619099837 /nfs/dbraw/zinc/09/98/37/619099837.db2.gz GEFFQJQRTYSIPX-CBAPKCEASA-N 1 1 283.353 1.787 10 5 CDBEMO C[C@@H]1[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000928458418 619122018 /nfs/dbraw/zinc/12/20/18/619122018.db2.gz VZXBCNZBBDSBGL-MKOLQDEYSA-N 1 1 289.335 1.817 10 5 CDBEMO Cc1[nH]nc(C(=O)N2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000913397575 630466522 /nfs/dbraw/zinc/46/65/22/630466522.db2.gz AYHCEYPNCHJKJY-UHFFFAOYSA-N 1 1 295.343 1.183 10 5 CDBEMO O=C(NC12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])s1 ZINC000913624895 630714870 /nfs/dbraw/zinc/71/48/70/630714870.db2.gz QRPNORRNYHFLIC-UHFFFAOYSA-N 1 1 267.310 1.234 10 5 CDBEMO C[C@H]1[C@@H](O)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001643109781 1167225175 /nfs/dbraw/zinc/22/51/75/1167225175.db2.gz AYYMXRWBUCHHDX-GWCFXTLKSA-N 1 1 293.323 1.379 10 5 CDBEMO CCCC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001567269980 1168645119 /nfs/dbraw/zinc/64/51/19/1168645119.db2.gz YGGKVRLYFLUVEG-UHFFFAOYSA-N 1 1 279.340 1.943 10 5 CDBEMO Cc1nc(N2CC[C@@H](c3[nH+]ccn3C)C2)ncc1[N+](=O)[O-] ZINC001650939803 1171271960 /nfs/dbraw/zinc/27/19/60/1171271960.db2.gz CHIGDVUGLSWAQM-SNVBAGLBSA-N 1 1 288.311 1.421 10 5 CDBEMO C[C@@H]1C[C@@H](Nc2nn(C)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC001651638468 1171338883 /nfs/dbraw/zinc/33/88/83/1171338883.db2.gz GHAVVQAYKOOEKR-RKDXNWHRSA-N 1 1 265.317 1.365 10 5 CDBEMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCS(=O)CC1 ZINC001653586124 1171552981 /nfs/dbraw/zinc/55/29/81/1171552981.db2.gz XIESWFDHTQLWOF-UHFFFAOYSA-N 1 1 296.392 1.980 10 5 CDBEMO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c(F)c1 ZINC001656384215 1171814341 /nfs/dbraw/zinc/81/43/41/1171814341.db2.gz KLELHQZZLKBGMZ-AAEUAGOBSA-N 1 1 297.305 1.962 10 5 CDBEMO O=[N+]([O-])c1ccc(CN2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c(F)c1 ZINC001656384215 1171814357 /nfs/dbraw/zinc/81/43/57/1171814357.db2.gz KLELHQZZLKBGMZ-AAEUAGOBSA-N 1 1 297.305 1.962 10 5 CDBEMO C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+]1C ZINC001620944244 1174171790 /nfs/dbraw/zinc/17/17/90/1174171790.db2.gz KATHSLOGJPJGCV-GHMZBOCLSA-N 1 1 271.361 1.421 10 5 CDBEMO C[N@H+](CCNC(=O)C1(C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690943490 1175622522 /nfs/dbraw/zinc/62/25/22/1175622522.db2.gz HPPFNDLRYGIPAK-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO C[N@@H+](CCNC(=O)C1(C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001690943490 1175622526 /nfs/dbraw/zinc/62/25/26/1175622526.db2.gz HPPFNDLRYGIPAK-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO C[N@@H+](CCCC1CCC1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713451760 1178571791 /nfs/dbraw/zinc/57/17/91/1178571791.db2.gz RORANVWPNPPZLQ-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO C[N@H+](CCCC1CCC1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713451760 1178571794 /nfs/dbraw/zinc/57/17/94/1178571794.db2.gz RORANVWPNPPZLQ-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO C[N@@H+](CCCC1CCC1)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001713451760 1178571796 /nfs/dbraw/zinc/57/17/96/1178571796.db2.gz RORANVWPNPPZLQ-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO CC(C)(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001716293155 1180146166 /nfs/dbraw/zinc/14/61/66/1180146166.db2.gz XUIDARBZGSYRMB-XLMCQVRKSA-N 1 1 283.372 1.350 10 5 CDBEMO O=C(NCC1([NH2+]CCC2CCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001723515386 1181580994 /nfs/dbraw/zinc/58/09/94/1181580994.db2.gz SBDIQSSTRYZRQU-CHWSQXEVSA-N 1 1 295.383 1.470 10 5 CDBEMO CC[N@@H+](C)[C@@H]1CCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000302782308 1186509902 /nfs/dbraw/zinc/50/99/02/1186509902.db2.gz SNKKJFNNUQUWSN-LLVKDONJSA-N 1 1 264.329 1.829 10 5 CDBEMO C[C@@H]1[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000719627845 711939699 /nfs/dbraw/zinc/93/96/99/711939699.db2.gz WLQXLXALTZHPDJ-PSASIEDQSA-N 1 1 275.312 1.976 10 5 CDBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1CCO ZINC000842047696 712053878 /nfs/dbraw/zinc/05/38/78/712053878.db2.gz TUNPDGDWSNRELU-NEPJUHHUSA-N 1 1 279.340 1.486 10 5 CDBEMO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521674 712079144 /nfs/dbraw/zinc/07/91/44/712079144.db2.gz PVPUXHOWNJMCOD-CMPLNLGQSA-N 1 1 277.324 1.342 10 5 CDBEMO Cc1sc(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000097160281 712344871 /nfs/dbraw/zinc/34/48/71/712344871.db2.gz MCZUZBDEMMGLHG-UHFFFAOYSA-N 1 1 283.353 1.742 10 5 CDBEMO Cc1sc(C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000097160281 712344873 /nfs/dbraw/zinc/34/48/73/712344873.db2.gz MCZUZBDEMMGLHG-UHFFFAOYSA-N 1 1 283.353 1.742 10 5 CDBEMO C[N@@H+](CCCCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000788280210 712381383 /nfs/dbraw/zinc/38/13/83/712381383.db2.gz WTEGQLITERQEPJ-ZDUSSCGKSA-N 1 1 268.313 1.333 10 5 CDBEMO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000930732436 712391179 /nfs/dbraw/zinc/39/11/79/712391179.db2.gz JPHJFDWRDQVIOM-NSHDSACASA-N 1 1 278.312 1.729 10 5 CDBEMO Cc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000866204843 1164750251 /nfs/dbraw/zinc/75/02/51/1164750251.db2.gz GWQBWIZNJBVTKZ-VXGBXAGGSA-N 1 1 276.340 1.829 10 5 CDBEMO CC[N@@H+]1CC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001628372293 1166067019 /nfs/dbraw/zinc/06/70/19/1166067019.db2.gz DKMKILRNTFXHAA-CYBMUJFWSA-N 1 1 293.323 1.184 10 5 CDBEMO CC[N@H+]1CC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001628372293 1166067029 /nfs/dbraw/zinc/06/70/29/1166067029.db2.gz DKMKILRNTFXHAA-CYBMUJFWSA-N 1 1 293.323 1.184 10 5 CDBEMO O=C(NC12CC[NH+](CC1)C2)c1c(F)cccc1[N+](=O)[O-] ZINC000715497620 910003766 /nfs/dbraw/zinc/00/37/66/910003766.db2.gz YIFLMGHWUISNAZ-UHFFFAOYSA-N 1 1 279.271 1.312 10 5 CDBEMO Cc1noc(C[N@@H+]2[C@H](C)CC[C@@H]2CO)c1[N+](=O)[O-] ZINC000880436052 929678819 /nfs/dbraw/zinc/67/88/19/929678819.db2.gz YOKOAZIVOLKRBV-VXNVDRBHSA-N 1 1 255.274 1.236 10 5 CDBEMO Cc1noc(C[N@H+]2[C@H](C)CC[C@@H]2CO)c1[N+](=O)[O-] ZINC000880436052 929678824 /nfs/dbraw/zinc/67/88/24/929678824.db2.gz YOKOAZIVOLKRBV-VXNVDRBHSA-N 1 1 255.274 1.236 10 5 CDBEMO C[N@@H+](CCO[C@H]1CCOC1)CCc1cccc([N+](=O)[O-])c1 ZINC000930354373 933365699 /nfs/dbraw/zinc/36/56/99/933365699.db2.gz OZEHLAXXEASPGA-HNNXBMFYSA-N 1 1 294.351 1.875 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](CO)C2)c1 ZINC000687591010 934327548 /nfs/dbraw/zinc/32/75/48/934327548.db2.gz SHHFDQUWOJMEHN-LLVKDONJSA-N 1 1 265.313 1.016 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](CO)C2)c1 ZINC000687591010 934327556 /nfs/dbraw/zinc/32/75/56/934327556.db2.gz SHHFDQUWOJMEHN-LLVKDONJSA-N 1 1 265.313 1.016 10 5 CDBEMO N[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000405371227 940984687 /nfs/dbraw/zinc/98/46/87/940984687.db2.gz ZEOSUFYICGMIGW-UONOGXRCSA-N 1 1 275.352 1.997 10 5 CDBEMO [NH3+][C@H]1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000405371227 940984691 /nfs/dbraw/zinc/98/46/91/940984691.db2.gz ZEOSUFYICGMIGW-UONOGXRCSA-N 1 1 275.352 1.997 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)n1 ZINC001444068914 965727082 /nfs/dbraw/zinc/72/70/82/965727082.db2.gz IYMLHIQMRJKWGN-SNVBAGLBSA-N 1 1 278.312 1.074 10 5 CDBEMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)n1 ZINC001444068914 965727094 /nfs/dbraw/zinc/72/70/94/965727094.db2.gz IYMLHIQMRJKWGN-SNVBAGLBSA-N 1 1 278.312 1.074 10 5 CDBEMO C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC001544079307 967335851 /nfs/dbraw/zinc/33/58/51/967335851.db2.gz LTNSRCAIKQXIID-UWVGGRQHSA-N 1 1 295.343 1.311 10 5 CDBEMO C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001544079307 967335866 /nfs/dbraw/zinc/33/58/66/967335866.db2.gz LTNSRCAIKQXIID-UWVGGRQHSA-N 1 1 295.343 1.311 10 5 CDBEMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3cc([N+](=O)[O-])n[nH]3)C[N@H+]2C1 ZINC001455732583 968791009 /nfs/dbraw/zinc/79/10/09/968791009.db2.gz YJUZSKSGHNEBHU-UTLUCORTSA-N 1 1 293.327 1.377 10 5 CDBEMO Cc1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc(C)[nH+]1 ZINC001457703890 969207013 /nfs/dbraw/zinc/20/70/13/969207013.db2.gz OANGPBDOIUQTIW-UHFFFAOYSA-N 1 1 287.279 1.258 10 5 CDBEMO C[N@H+]1C[C@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472025467 970538809 /nfs/dbraw/zinc/53/88/09/970538809.db2.gz BSYGPWSZEWAMOA-LBPRGKRZSA-N 1 1 295.314 1.804 10 5 CDBEMO Cc1ccc([N+](=O)[O-])c(N2CC([NH2+]C3COC3)C2)c1 ZINC001472886120 970719541 /nfs/dbraw/zinc/71/95/41/970719541.db2.gz NTEXNDVSUDNPMQ-UHFFFAOYSA-N 1 1 263.297 1.080 10 5 CDBEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001473147275 970759830 /nfs/dbraw/zinc/75/98/30/970759830.db2.gz HJMSTLYHYBCRGS-UWVGGRQHSA-N 1 1 278.312 1.076 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590442075 342546076 /nfs/dbraw/zinc/54/60/76/342546076.db2.gz GEQSVFJYUXKHQG-RNCFNFMXSA-N 1 1 293.298 1.510 10 5 CDBEMO C[N@@H+]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000611554685 346822969 /nfs/dbraw/zinc/82/29/69/346822969.db2.gz SPSSFXSIJGKMNO-JTQLQIEISA-N 1 1 279.296 1.124 10 5 CDBEMO C[N@H+]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000611554685 346822971 /nfs/dbraw/zinc/82/29/71/346822971.db2.gz SPSSFXSIJGKMNO-JTQLQIEISA-N 1 1 279.296 1.124 10 5 CDBEMO CC1(C)C[NH2+]CC[C@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000593727509 342829639 /nfs/dbraw/zinc/82/96/39/342829639.db2.gz ODHPRVRBGXUKKK-CYBMUJFWSA-N 1 1 279.340 1.778 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+]1C ZINC000192531052 361968901 /nfs/dbraw/zinc/96/89/01/361968901.db2.gz ZXQMWZAUECBDDF-JTQLQIEISA-N 1 1 267.333 1.626 10 5 CDBEMO Cc1noc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1[N+](=O)[O-] ZINC000595338477 343029955 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CCC[NH+]1CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1 ZINC000050454674 519860412 /nfs/dbraw/zinc/86/04/12/519860412.db2.gz HTIDBAIQVPRIHL-UHFFFAOYSA-N 1 1 285.735 1.570 10 5 CDBEMO CC[N@H+]1CCC[C@H](Nc2ncnc(Cl)c2[N+](=O)[O-])C1 ZINC000050455433 521650406 /nfs/dbraw/zinc/65/04/06/521650406.db2.gz SNPSIQQUSYAEDZ-QMMMGPOBSA-N 1 1 285.735 1.934 10 5 CDBEMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1N ZINC000050815300 524341408 /nfs/dbraw/zinc/34/14/08/524341408.db2.gz OJXZPNCGQUADAA-VHSXEESVSA-N 1 1 292.339 1.263 10 5 CDBEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050815295 524567425 /nfs/dbraw/zinc/56/74/25/524567425.db2.gz FAIDLXVCSOGION-MWLCHTKSSA-N 1 1 292.339 1.263 10 5 CDBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CO)C1 ZINC000183311949 525566102 /nfs/dbraw/zinc/56/61/02/525566102.db2.gz HFNVDTZHOKGFAZ-NSHDSACASA-N 1 1 250.298 1.717 10 5 CDBEMO Nc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000050817152 527482189 /nfs/dbraw/zinc/48/21/89/527482189.db2.gz 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ZINC000829572693 936423047 /nfs/dbraw/zinc/42/30/47/936423047.db2.gz TZOSHAQAROVUME-NSHDSACASA-N 1 1 265.313 1.098 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536067 927809126 /nfs/dbraw/zinc/80/91/26/927809126.db2.gz ASYZVXHKNGMEST-GXFFZTMASA-N 1 1 266.272 1.691 10 5 CDBEMO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852536067 927809138 /nfs/dbraw/zinc/80/91/38/927809138.db2.gz ASYZVXHKNGMEST-GXFFZTMASA-N 1 1 266.272 1.691 10 5 CDBEMO CCN(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CC[N@@H+](C)C1 ZINC000855361940 928401133 /nfs/dbraw/zinc/40/11/33/928401133.db2.gz WYVGCSXEHQXUDH-NSHDSACASA-N 1 1 295.314 1.900 10 5 CDBEMO C[C@@H]1CC[C@H](O)C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000817287241 930471058 /nfs/dbraw/zinc/47/10/58/930471058.db2.gz DLTRMNVSBZUDFU-SWHYSGLUSA-N 1 1 280.324 1.473 10 5 CDBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931411042 933556408 /nfs/dbraw/zinc/55/64/08/933556408.db2.gz 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C[NH+](C)Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC001264207774 944099272 /nfs/dbraw/zinc/09/92/72/944099272.db2.gz PIHCZFMJCBMBMX-UHFFFAOYSA-N 1 1 290.279 1.897 10 5 CDBEMO O=C(C[NH+]1CCCC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001466636620 969982494 /nfs/dbraw/zinc/98/24/94/969982494.db2.gz UKVZWJSBVPGEDN-UHFFFAOYSA-N 1 1 289.295 1.505 10 5 CDBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001618599726 1171617227 /nfs/dbraw/zinc/61/72/27/1171617227.db2.gz QUHBLDFXEDDNGU-JTNHKYCSSA-N 1 1 280.324 1.331 10 5 CDBEMO C[N@H+]1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590011089 342519606 /nfs/dbraw/zinc/51/96/06/342519606.db2.gz HKUMDWYKWZKUJT-GXTWGEPZSA-N 1 1 261.325 1.731 10 5 CDBEMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)[C@H]2C1 ZINC000590043738 342520540 /nfs/dbraw/zinc/52/05/40/342520540.db2.gz FESCCZNAUUVPIN-BDAKNGLRSA-N 1 1 281.337 1.432 10 5 CDBEMO Cc1ccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590047164 342521087 /nfs/dbraw/zinc/52/10/87/342521087.db2.gz WJQNXCBKYAWOTR-OCCSQVGLSA-N 1 1 289.335 1.679 10 5 CDBEMO C[C@@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000590146315 342522972 /nfs/dbraw/zinc/52/29/72/342522972.db2.gz YLDRFEZFFPXVJW-AOOOYVTPSA-N 1 1 250.302 1.519 10 5 CDBEMO O=[N+]([O-])c1ccccc1N1CC(C[NH+]2CCOCC2)C1 ZINC000590568459 342576099 /nfs/dbraw/zinc/57/60/99/342576099.db2.gz TZTXAJXETWMXSJ-UHFFFAOYSA-N 1 1 277.324 1.363 10 5 CDBEMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCOC1 ZINC000593068714 342762121 /nfs/dbraw/zinc/76/21/21/342762121.db2.gz GUGOLKLETKIOIY-CYBMUJFWSA-N 1 1 295.339 1.257 10 5 CDBEMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000136960216 361879655 /nfs/dbraw/zinc/87/96/55/361879655.db2.gz QFRXOCJXAFAZLI-ZDUSSCGKSA-N 1 1 250.298 1.970 10 5 CDBEMO C[NH2+]C[C@@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593725804 342829233 /nfs/dbraw/zinc/82/92/33/342829233.db2.gz WSEHGEFFGVNTNK-NSHDSACASA-N 1 1 265.313 1.484 10 5 CDBEMO CCC[C@@H]1C[NH2+]CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727052 342829764 /nfs/dbraw/zinc/82/97/64/342829764.db2.gz BHWRNQRAWHCPQP-GFCCVEGCSA-N 1 1 279.340 1.874 10 5 CDBEMO CC1(C)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075713214 342314872 /nfs/dbraw/zinc/31/48/72/342314872.db2.gz HSMWJCCQAJLCPG-LLVKDONJSA-N 1 1 268.317 1.027 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000595609614 343108255 /nfs/dbraw/zinc/10/82/55/343108255.db2.gz ZLDVSLHSVMFDED-ZDUSSCGKSA-N 1 1 287.323 1.708 10 5 CDBEMO Cc1noc(C[NH2+][C@H](CO)C2CCC2)c1[N+](=O)[O-] ZINC000595618606 343111007 /nfs/dbraw/zinc/11/10/07/343111007.db2.gz YTRZWSDSVOLXGD-SECBINFHSA-N 1 1 255.274 1.142 10 5 CDBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC(CO)(CO)C1 ZINC000595806227 343158976 /nfs/dbraw/zinc/15/89/76/343158976.db2.gz JRGDZHFDBPWJFT-LBPRGKRZSA-N 1 1 294.351 1.641 10 5 CDBEMO CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000596453826 343324469 /nfs/dbraw/zinc/32/44/69/343324469.db2.gz OKFIAEGJOONMNE-VIFPVBQESA-N 1 1 266.301 1.089 10 5 CDBEMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598465707 343806621 /nfs/dbraw/zinc/80/66/21/343806621.db2.gz JLGAWYKFVUONOS-UHFFFAOYSA-N 1 1 282.344 1.773 10 5 CDBEMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000515401158 362311501 /nfs/dbraw/zinc/31/15/01/362311501.db2.gz MTTUSKHDRHQTPB-FZMZJTMJSA-N 1 1 291.351 1.909 10 5 CDBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599553689 344081448 /nfs/dbraw/zinc/08/14/48/344081448.db2.gz YRQVOJGARPFBOL-NEPJUHHUSA-N 1 1 282.369 1.761 10 5 CDBEMO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000599680837 344117812 /nfs/dbraw/zinc/11/78/12/344117812.db2.gz HRFMTFNNWLPTQY-IACUBPJLSA-N 1 1 262.309 1.940 10 5 CDBEMO COC[C@H]1CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293474021 362560412 /nfs/dbraw/zinc/56/04/12/362560412.db2.gz FENGGBNMINQMHV-OLZOCXBDSA-N 1 1 266.297 1.349 10 5 CDBEMO COC[C@H]1CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000293474021 362560416 /nfs/dbraw/zinc/56/04/16/362560416.db2.gz FENGGBNMINQMHV-OLZOCXBDSA-N 1 1 266.297 1.349 10 5 CDBEMO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000344424581 362767413 /nfs/dbraw/zinc/76/74/13/362767413.db2.gz USRZVBKJEDKHGH-UHFFFAOYSA-N 1 1 293.371 1.064 10 5 CDBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000312218664 363174045 /nfs/dbraw/zinc/17/40/45/363174045.db2.gz AFUDFDQJYNPYRA-SECBINFHSA-N 1 1 281.287 1.510 10 5 CDBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000312218664 363174048 /nfs/dbraw/zinc/17/40/48/363174048.db2.gz AFUDFDQJYNPYRA-SECBINFHSA-N 1 1 281.287 1.510 10 5 CDBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186539673 357659923 /nfs/dbraw/zinc/65/99/23/357659923.db2.gz UFHRCXSHZZEHCU-ICCXJUOJSA-N 1 1 266.297 1.083 10 5 CDBEMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1(CO)CC1 ZINC000186763351 357685806 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C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000339568668 359415335 /nfs/dbraw/zinc/41/53/35/359415335.db2.gz RCCLCAOOSIZBRL-GHMZBOCLSA-N 1 1 277.324 1.898 10 5 CDBEMO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000339568668 359415338 /nfs/dbraw/zinc/41/53/38/359415338.db2.gz RCCLCAOOSIZBRL-GHMZBOCLSA-N 1 1 277.324 1.898 10 5 CDBEMO Cc1cc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)ncc1[N+](=O)[O-] ZINC000348175113 360556615 /nfs/dbraw/zinc/55/66/15/360556615.db2.gz CZKJLQAZNVXDHJ-GFCCVEGCSA-N 1 1 276.340 1.971 10 5 CDBEMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000192489435 361685650 /nfs/dbraw/zinc/68/56/50/361685650.db2.gz GVAMUMGCKAPMKL-LLVKDONJSA-N 1 1 279.344 1.404 10 5 CDBEMO CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001661422381 1172388193 /nfs/dbraw/zinc/38/81/93/1172388193.db2.gz WOLILPGIDZTWJP-FDYHWXHSSA-N 1 1 283.372 1.325 10 5 CDBEMO C[N@@H+](CCCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000276234034 193251544 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Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](CCO)C[C@@H]2C)n1 ZINC000450952994 390582816 /nfs/dbraw/zinc/58/28/16/390582816.db2.gz KALLQNTXFJGASB-LBPRGKRZSA-N 1 1 294.355 1.109 10 5 CDBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](CCO)C[C@@H]2C)n1 ZINC000450952994 390582819 /nfs/dbraw/zinc/58/28/19/390582819.db2.gz KALLQNTXFJGASB-LBPRGKRZSA-N 1 1 294.355 1.109 10 5 CDBEMO C[C@@H]1C[C@H](C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548754094 392506977 /nfs/dbraw/zinc/50/69/77/392506977.db2.gz AXIHHHSGIBJSPY-NTZNESFSSA-N 1 1 280.324 1.817 10 5 CDBEMO C[N@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000269359267 132160246 /nfs/dbraw/zinc/16/02/46/132160246.db2.gz OGPVPVVXRBATCX-UHFFFAOYSA-N 1 1 255.343 1.794 10 5 CDBEMO COC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000126294544 393190318 /nfs/dbraw/zinc/19/03/18/393190318.db2.gz JLEWGVGIBXEJFA-CQSZACIVSA-N 1 1 282.340 1.813 10 5 CDBEMO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](O)C1 ZINC000061711611 522647744 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CDBEMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c(Cl)c1 ZINC000371801750 275036548 /nfs/dbraw/zinc/03/65/48/275036548.db2.gz HTPQPDHZNMMHJA-LLVKDONJSA-N 1 1 297.742 1.769 10 5 CDBEMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c(Cl)c1 ZINC000371801750 275036550 /nfs/dbraw/zinc/03/65/50/275036550.db2.gz HTPQPDHZNMMHJA-LLVKDONJSA-N 1 1 297.742 1.769 10 5 CDBEMO C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274813174 277052695 /nfs/dbraw/zinc/05/26/95/277052695.db2.gz IKFZULODCJGILR-UHFFFAOYSA-N 1 1 275.312 1.613 10 5 CDBEMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000301642791 277124761 /nfs/dbraw/zinc/12/47/61/277124761.db2.gz GYJRMFVVBJOBHO-QWHCGFSZSA-N 1 1 263.297 1.114 10 5 CDBEMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155056336 289227185 /nfs/dbraw/zinc/22/71/85/289227185.db2.gz YHQZRJVWAMUICU-UWVGGRQHSA-N 1 1 292.339 1.463 10 5 CDBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1c([N+](=O)[O-])ncn1C ZINC000265015011 297096592 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Nc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000050817153 527482566 /nfs/dbraw/zinc/48/25/66/527482566.db2.gz ILHVEFLCLXJGRZ-SNVBAGLBSA-N 1 1 251.286 1.134 10 5 CDBEMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@H+]1C ZINC000895770272 619836322 /nfs/dbraw/zinc/83/63/22/619836322.db2.gz ZGYVZTSREXAQRC-LLVKDONJSA-N 1 1 263.297 1.913 10 5 CDBEMO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@@H+]1C ZINC000895770272 619836324 /nfs/dbraw/zinc/83/63/24/619836324.db2.gz ZGYVZTSREXAQRC-LLVKDONJSA-N 1 1 263.297 1.913 10 5 CDBEMO CN(CC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696890 1158770223 /nfs/dbraw/zinc/77/02/23/1158770223.db2.gz VUNLOJQQQXUCIS-CHWSQXEVSA-N 1 1 283.372 1.280 10 5 CDBEMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000865999431 1164719007 /nfs/dbraw/zinc/71/90/07/1164719007.db2.gz SLVNDQWCBKVYNX-NSHDSACASA-N 1 1 279.340 1.852 10 5 CDBEMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000865996814 1164719630 /nfs/dbraw/zinc/71/96/30/1164719630.db2.gz QFQYTZWEDBVSSZ-NSHDSACASA-N 1 1 280.328 1.247 10 5 CDBEMO Cn1cnc([N+](=O)[O-])c1N1CC[N@@H+](C)C(C)(C)CC1 ZINC000866114689 1164737022 /nfs/dbraw/zinc/73/70/22/1164737022.db2.gz PMEVUGDGBUWLRR-UHFFFAOYSA-N 1 1 267.333 1.249 10 5 CDBEMO Cc1ccc(NC(=O)C[C@H]2CC[N@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC001636729393 1166692542 /nfs/dbraw/zinc/69/25/42/1166692542.db2.gz XFUNFTMXLDPTGC-SNVBAGLBSA-N 1 1 292.339 1.766 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001644305770 1167307019 /nfs/dbraw/zinc/30/70/19/1167307019.db2.gz UGIDOBVAXSBJTN-SECBINFHSA-N 1 1 292.274 1.237 10 5 CDBEMO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001644305770 1167307026 /nfs/dbraw/zinc/30/70/26/1167307026.db2.gz UGIDOBVAXSBJTN-SECBINFHSA-N 1 1 292.274 1.237 10 5 CDBEMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](c3nn[nH]n3)C2)c1 ZINC001655439026 1171694318 /nfs/dbraw/zinc/69/43/18/1171694318.db2.gz DNAHNUCHEDZGHI-JTQLQIEISA-N 1 1 274.284 1.097 10 5 CDBEMO CCC[N@@H+](CC)C[C@@H](C)Nc1nn(C)cc1[N+](=O)[O-] ZINC001655529130 1171703315 /nfs/dbraw/zinc/70/33/15/1171703315.db2.gz UVBMFXVCLXKIJA-SNVBAGLBSA-N 1 1 269.349 1.861 10 5 CDBEMO C[N@H+](CCNC(=O)CC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001714532389 1179186251 /nfs/dbraw/zinc/18/62/51/1179186251.db2.gz PLAXZZCZDQHFMN-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO C[N@@H+](CCNC(=O)CC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001714532389 1179186255 /nfs/dbraw/zinc/18/62/55/1179186255.db2.gz PLAXZZCZDQHFMN-UHFFFAOYSA-N 1 1 291.351 1.943 10 5 CDBEMO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC1 ZINC001715512141 1179690035 /nfs/dbraw/zinc/69/00/35/1179690035.db2.gz TUPWBKQPDAPHJH-UHFFFAOYSA-N 1 1 291.351 1.895 10 5 CDBEMO CCC(=O)NCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC001731798830 1182589344 /nfs/dbraw/zinc/58/93/44/1182589344.db2.gz PRWKOYFJFVPAHZ-UHFFFAOYSA-N 1 1 279.340 1.943 10 5 CDBEMO