smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CCC(=O)N[C@@H]1CN2CCC1CC2)[N+](=O)[O-] ZINC001347289763 895398805 /nfs/dbraw/zinc/39/88/05/895398805.db2.gz BSLGRGQDPJDAJY-LLVKDONJSA-N 0 3 269.345 1.032 20 5 CDBDHN COc1ccc(CN[C@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000699804837 914290588 /nfs/dbraw/zinc/29/05/88/914290588.db2.gz JHBDXMBENOUZIK-ONGXEEELSA-N 0 3 266.297 1.728 20 5 CDBDHN COc1ccc(C(=O)CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168955826 927577265 /nfs/dbraw/zinc/57/72/65/927577265.db2.gz CORJMOIMJZEZKI-WCQYABFASA-N 0 3 292.335 1.913 20 5 CDBDHN Cc1cccn2c(CN[C@H]3CC[C@H](C[N+](=O)[O-])C3)nnc12 ZINC001168964791 927587118 /nfs/dbraw/zinc/58/71/18/927587118.db2.gz WGBVVWRWFQYYQU-RYUDHWBXSA-N 0 3 289.339 1.573 20 5 CDBDHN NCc1ccnn1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001155124938 937638210 /nfs/dbraw/zinc/63/82/10/937638210.db2.gz GNMBQIPYTYKOAN-UHFFFAOYSA-N 0 3 288.094 1.941 20 5 CDBDHN Nc1ccc(NC(=O)C23CCCN2CCC3)cc1[N+](=O)[O-] ZINC001118706928 937657460 /nfs/dbraw/zinc/65/74/60/937657460.db2.gz UOHVICIIAMUAJT-UHFFFAOYSA-N 0 3 290.323 1.744 20 5 CDBDHN Nc1cc(N[C@H]2CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC001155667140 937662012 /nfs/dbraw/zinc/66/20/12/937662012.db2.gz BYAKSJUPQFZDFA-JTQLQIEISA-N 0 3 263.301 1.078 20 5 CDBDHN O=[N+]([O-])c1cccc(N[C@H]2CCCC[C@@]23CNCCO3)n1 ZINC001155824005 937676955 /nfs/dbraw/zinc/67/69/55/937676955.db2.gz GUUADWVGMSZTNQ-SMDDNHRTSA-N 0 3 292.339 1.703 20 5 CDBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN4CC[C@H]4C3)c21 ZINC001158430322 938624110 /nfs/dbraw/zinc/62/41/10/938624110.db2.gz DEABCDRJIGGWAM-JTQLQIEISA-N 0 3 285.307 1.432 20 5 CDBDHN Cc1ccnc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159497439 938734291 /nfs/dbraw/zinc/73/42/91/938734291.db2.gz NWZBEEGCSRGIOM-NXEZZACHSA-N 0 3 266.301 1.087 20 5 CDBDHN C[C@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)[C@@H]1CNCCO1 ZINC001159501178 938736077 /nfs/dbraw/zinc/73/60/77/938736077.db2.gz YVUINHGMKKYXCI-CBAPKCEASA-N 0 3 286.719 1.432 20 5 CDBDHN Cc1ccnc(-n2ncc3c2CCNC3)c1[N+](=O)[O-] ZINC001165219346 939526474 /nfs/dbraw/zinc/52/64/74/939526474.db2.gz XKONDJGIWXKEQT-UHFFFAOYSA-N 0 3 259.269 1.130 20 5 CDBDHN CCN1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226166951 941961220 /nfs/dbraw/zinc/96/12/20/941961220.db2.gz APCSUQHORHPYGH-SNVBAGLBSA-N 0 3 279.296 1.167 20 5 CDBDHN CC(=O)N/C(=C\c1cccs1)C(=O)OCC(C)[N+](=O)[O-] ZINC001525760337 970983763 /nfs/dbraw/zinc/98/37/63/970983763.db2.gz YWXOSJGPNWFROM-QKNMJKLUSA-N 0 3 298.320 1.434 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCc3nncn3CC1)C2 ZINC001254595865 947546719 /nfs/dbraw/zinc/54/67/19/947546719.db2.gz ZXIJGAGXVHMXBG-CQSZACIVSA-N 0 3 299.334 1.212 20 5 CDBDHN CC(COC(=O)[C@@]1(c2ccccc2)CCCO1)[N+](=O)[O-] ZINC001346123207 964942581 /nfs/dbraw/zinc/94/25/81/964942581.db2.gz JYGBTFQQTINRCJ-RISCZKNCSA-N 0 3 279.292 1.901 20 5 CDBDHN O=C(CCCF)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132461210 1163309606 /nfs/dbraw/zinc/30/96/06/1163309606.db2.gz REEMBQILXOGLJA-UHFFFAOYSA-N 0 3 283.303 1.550 20 5 CDBDHN Cc1cnc(N2C[C@H]3CCN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000601185430 342489249 /nfs/dbraw/zinc/48/92/49/342489249.db2.gz UGILKWPLTCDBDV-NEPJUHHUSA-N 0 3 276.340 1.686 20 5 CDBDHN CC(C)(NCC1(CO)COC1)c1ccccc1[N+](=O)[O-] ZINC000590020177 342518782 /nfs/dbraw/zinc/51/87/82/342518782.db2.gz JRDCPDDDXOKVBW-UHFFFAOYSA-N 0 3 280.324 1.428 20 5 CDBDHN C[C@@H](N[C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601303206 342550882 /nfs/dbraw/zinc/55/08/82/342550882.db2.gz AHUYFKGLISHYKL-OASPWFOLSA-N 0 3 266.297 1.395 20 5 CDBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000046275726 342055897 /nfs/dbraw/zinc/05/58/97/342055897.db2.gz JDYWGYVWZOJHIH-VIFPVBQESA-N 0 3 251.286 1.275 20 5 CDBDHN CCN(CCSC)CCn1ccc([N+](=O)[O-])n1 ZINC000592202375 342676635 /nfs/dbraw/zinc/67/66/35/342676635.db2.gz YLKUIFCQAMWRGJ-UHFFFAOYSA-N 0 3 258.347 1.476 20 5 CDBDHN C[C@H](CCO)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109506 342769313 /nfs/dbraw/zinc/76/93/13/342769313.db2.gz ZHMMGTGDUYYDRD-NEPJUHHUSA-N 0 3 298.339 1.037 20 5 CDBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000593247959 342780740 /nfs/dbraw/zinc/78/07/40/342780740.db2.gz FODSXEFUASNXQL-UHFFFAOYSA-N 0 3 280.328 1.481 20 5 CDBDHN CN(CCN(C)C1CC1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000342876987 361960157 /nfs/dbraw/zinc/96/01/57/361960157.db2.gz WSGHGHCJNXGZKK-UHFFFAOYSA-N 0 3 292.339 1.224 20 5 CDBDHN Cc1ccc(CN[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000323258107 342862980 /nfs/dbraw/zinc/86/29/80/342862980.db2.gz GBISQVPRFWCNOS-AAEUAGOBSA-N 0 3 250.298 1.906 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000609383011 342264492 /nfs/dbraw/zinc/26/44/92/342264492.db2.gz ACJZCHACWBTJMH-JTQLQIEISA-N 0 3 280.328 1.005 20 5 CDBDHN O=C1CCC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])N1 ZINC000594503986 342914358 /nfs/dbraw/zinc/91/43/58/342914358.db2.gz LCWGXDSZMXCTCP-GWCFXTLKSA-N 0 3 289.335 1.840 20 5 CDBDHN Nc1nc(N2CCC[C@@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000076268341 342320392 /nfs/dbraw/zinc/32/03/92/342320392.db2.gz GPYSABZZEBUVTB-SNVBAGLBSA-N 0 3 292.343 1.032 20 5 CDBDHN CCN1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330581134 365702350 /nfs/dbraw/zinc/70/23/50/365702350.db2.gz QMXSGWLQFOPAIF-VXGBXAGGSA-N 0 3 281.360 1.206 20 5 CDBDHN CC(C)(NCCc1cn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000595509067 343080467 /nfs/dbraw/zinc/08/04/67/343080467.db2.gz FJOVPOYOHJVDQH-UHFFFAOYSA-N 0 3 275.312 1.780 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2C[C@H]2C1 ZINC000595810898 343161125 /nfs/dbraw/zinc/16/11/25/343161125.db2.gz PKCVYLBMEXIOBZ-QWRGUYRKSA-N 0 3 263.297 1.098 20 5 CDBDHN CCC[N@@H+]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596090477 343233848 /nfs/dbraw/zinc/23/38/48/343233848.db2.gz VXFOJOJRHDOZOV-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN CCC[N@H+]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596090477 343233850 /nfs/dbraw/zinc/23/38/50/343233850.db2.gz VXFOJOJRHDOZOV-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN CN1CCC[C@]2(CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)C1 ZINC000596244390 343285694 /nfs/dbraw/zinc/28/56/94/343285694.db2.gz QUSDPEPSEIKWAV-AWEZNQCLSA-N 0 3 291.355 1.494 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000596483302 343327906 /nfs/dbraw/zinc/32/79/06/343327906.db2.gz YOLNKFJBKGHVBJ-JTQLQIEISA-N 0 3 280.328 1.147 20 5 CDBDHN C[C@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596426484 343311944 /nfs/dbraw/zinc/31/19/44/343311944.db2.gz AQHWYYCQQXNTIZ-MRVPVSSYSA-N 0 3 254.290 1.448 20 5 CDBDHN C[C@@H](NCCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599094618 343953408 /nfs/dbraw/zinc/95/34/08/343953408.db2.gz WYXZQIZQMPABPO-RISCZKNCSA-N 0 3 279.340 1.312 20 5 CDBDHN CO[C@H]1CN[C@](C)(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602431707 344424399 /nfs/dbraw/zinc/42/43/99/344424399.db2.gz KCWMIOMEUUKYMK-YPMHNXCESA-N 0 3 279.296 1.300 20 5 CDBDHN COC[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602786132 344599095 /nfs/dbraw/zinc/59/90/95/344599095.db2.gz NAJDPQMYVJYIMP-LBPRGKRZSA-N 0 3 282.344 1.458 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC000602997559 344684208 /nfs/dbraw/zinc/68/42/08/344684208.db2.gz MONMQLOKTNVKBP-RDBSUJKOSA-N 0 3 294.355 1.417 20 5 CDBDHN Cc1cnc(N2CC[C@H](OCCN(C)C)C2)c([N+](=O)[O-])c1 ZINC000611132728 346617162 /nfs/dbraw/zinc/61/71/62/346617162.db2.gz CZSVIKHDWOTNOZ-LBPRGKRZSA-N 0 3 294.355 1.455 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000611165704 346626543 /nfs/dbraw/zinc/62/65/43/346626543.db2.gz BBYBIVLRDBXVKW-LBPRGKRZSA-N 0 3 292.339 1.655 20 5 CDBDHN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273428512 192146219 /nfs/dbraw/zinc/14/62/19/192146219.db2.gz WVHWKDWLFYHOQE-HZMBPMFUSA-N 0 3 290.323 1.713 20 5 CDBDHN C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057707826 348844416 /nfs/dbraw/zinc/84/44/16/348844416.db2.gz ZXAPOCYFHJLCIX-QMMMGPOBSA-N 0 3 283.353 1.869 20 5 CDBDHN CCOCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665070 349128157 /nfs/dbraw/zinc/12/81/57/349128157.db2.gz GJSUZBBORGFCIN-LBPRGKRZSA-N 0 3 294.355 1.903 20 5 CDBDHN O=C1C[C@]2(CN1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829826 349135637 /nfs/dbraw/zinc/13/56/37/349135637.db2.gz IASZMGLACKKETP-HNNXBMFYSA-N 0 3 289.335 1.697 20 5 CDBDHN C[C@@H](NC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090848564 180045616 /nfs/dbraw/zinc/04/56/16/180045616.db2.gz KGXVJHOWCRTRKC-MFKMUULPSA-N 0 3 266.297 1.397 20 5 CDBDHN O=C(CCCNCc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000107844413 186195634 /nfs/dbraw/zinc/19/56/34/186195634.db2.gz YOHBQKOUSIDTLG-UHFFFAOYSA-N 0 3 277.324 1.743 20 5 CDBDHN CN1CCN(CCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000034273177 363176873 /nfs/dbraw/zinc/17/68/73/363176873.db2.gz RODMCJCFJLTJGF-UHFFFAOYSA-N 0 3 278.356 1.644 20 5 CDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000292364602 198259568 /nfs/dbraw/zinc/25/95/68/198259568.db2.gz WHUMXYXTWWLBPW-CYBMUJFWSA-N 0 3 295.364 1.824 20 5 CDBDHN CC(C)N1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273591653 192219535 /nfs/dbraw/zinc/21/95/35/192219535.db2.gz HICXDMRISLPGAH-UHFFFAOYSA-N 0 3 265.317 1.670 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134654601 356370687 /nfs/dbraw/zinc/37/06/87/356370687.db2.gz BBIBIGNMZZGDAO-VIFPVBQESA-N 0 3 297.742 1.930 20 5 CDBDHN CCOC[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176307179 366311663 /nfs/dbraw/zinc/31/16/63/366311663.db2.gz OIHBNXDKJYHWOD-LLVKDONJSA-N 0 3 268.317 1.150 20 5 CDBDHN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000185733344 357571274 /nfs/dbraw/zinc/57/12/74/357571274.db2.gz LLUPTSOCBPEAJA-SECBINFHSA-N 0 3 295.343 1.047 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000234378787 357735871 /nfs/dbraw/zinc/73/58/71/357735871.db2.gz JOLAFYMIQMLJDZ-SECBINFHSA-N 0 3 283.303 1.548 20 5 CDBDHN Cc1ccc(CN2C[C@@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000191719407 358148616 /nfs/dbraw/zinc/14/86/16/358148616.db2.gz WKXFYQXIEZIHDL-YPMHNXCESA-N 0 3 264.325 1.963 20 5 CDBDHN CN1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192766846 358233696 /nfs/dbraw/zinc/23/36/96/358233696.db2.gz ZBSAHULRYKFGFA-UHFFFAOYSA-N 0 3 250.302 1.683 20 5 CDBDHN CC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176208067 358737326 /nfs/dbraw/zinc/73/73/26/358737326.db2.gz IKVSHYYPOPNDIV-NSHDSACASA-N 0 3 252.318 1.913 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H](O)C1CC1 ZINC000341173094 366520822 /nfs/dbraw/zinc/52/08/22/366520822.db2.gz ZOQDGRWYCDOWGY-LYKUJDHUSA-N 0 3 262.309 1.969 20 5 CDBDHN CCN(C[C@@H](C)OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291317000 358929023 /nfs/dbraw/zinc/92/90/23/358929023.db2.gz UGVPAQWBRIMNEW-RISCZKNCSA-N 0 3 282.340 1.985 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCN1C ZINC000342361262 359017044 /nfs/dbraw/zinc/01/70/44/359017044.db2.gz SKTCJSSCKDBDIF-SCZZXKLOSA-N 0 3 266.301 1.135 20 5 CDBDHN COc1ccc(CNC(=O)[C@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000269045952 366606643 /nfs/dbraw/zinc/60/66/43/366606643.db2.gz NIMVNJYCOZVKDQ-GFCCVEGCSA-N 0 3 281.312 1.203 20 5 CDBDHN CC(=O)c1cc(N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000228260484 359945852 /nfs/dbraw/zinc/94/58/52/359945852.db2.gz PDTMZMVZJBWZCJ-UHFFFAOYSA-N 0 3 265.313 1.795 20 5 CDBDHN CSc1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000178361245 189110202 /nfs/dbraw/zinc/11/02/02/189110202.db2.gz WMKQKCGSSYFUJS-UHFFFAOYSA-N 0 3 295.364 1.752 20 5 CDBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]2CN(C)C[C@H]2C1 ZINC000367278970 361261814 /nfs/dbraw/zinc/26/18/14/361261814.db2.gz POJWADCJCVDLCX-TXEJJXNPSA-N 0 3 289.335 1.795 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N(C)C ZINC000037985612 363963476 /nfs/dbraw/zinc/96/34/76/363963476.db2.gz ISGRBULISBLQOB-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000345816261 364023403 /nfs/dbraw/zinc/02/34/03/364023403.db2.gz KNVTYTGILMFGBR-QWHCGFSZSA-N 0 3 277.324 1.599 20 5 CDBDHN CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270957390 366946162 /nfs/dbraw/zinc/94/61/62/366946162.db2.gz UNRJPBJVANXONS-GXFFZTMASA-N 0 3 250.298 1.798 20 5 CDBDHN Cc1c(C(=O)NCC2(N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000416292612 241921622 /nfs/dbraw/zinc/92/16/22/241921622.db2.gz ROUZAQRAPXEMIO-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000272591219 367777748 /nfs/dbraw/zinc/77/77/48/367777748.db2.gz PMHKAIXIHLMNNX-VXGBXAGGSA-N 0 3 291.351 1.736 20 5 CDBDHN Cc1sc(C(=O)N2CC[C@@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170867469 369980741 /nfs/dbraw/zinc/98/07/41/369980741.db2.gz NJEDTRLYSZFBSV-SECBINFHSA-N 0 3 283.353 1.741 20 5 CDBDHN CC(C)[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766504 370079204 /nfs/dbraw/zinc/07/92/04/370079204.db2.gz PHYGLOHTLYVZOH-JOYOIKCWSA-N 0 3 265.313 1.755 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCNC1=O ZINC000449108086 372819701 /nfs/dbraw/zinc/81/97/01/372819701.db2.gz PNKDBYYWLPIZAO-ZYHUDNBSSA-N 0 3 277.324 1.394 20 5 CDBDHN COCCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065535728 373653836 /nfs/dbraw/zinc/65/38/36/373653836.db2.gz CHLMULPQSAXPSW-UHFFFAOYSA-N 0 3 254.286 1.552 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CO)[C@@H]2CCCO2)cc1 ZINC000447906416 374722003 /nfs/dbraw/zinc/72/20/03/374722003.db2.gz OSFNCOQZYDNFHF-KBPBESRZSA-N 0 3 296.323 1.103 20 5 CDBDHN CC[C@@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](C)O ZINC000449532952 374819212 /nfs/dbraw/zinc/81/92/12/374819212.db2.gz AUOSSXQWHGQCTK-GXSJLCMTSA-N 0 3 298.339 1.861 20 5 CDBDHN CCN1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330581132 374866520 /nfs/dbraw/zinc/86/65/20/374866520.db2.gz QMXSGWLQFOPAIF-NWDGAFQWSA-N 0 3 281.360 1.206 20 5 CDBDHN COCCN(C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943513 375439158 /nfs/dbraw/zinc/43/91/58/375439158.db2.gz YWAXBDQNQAYKRQ-LLVKDONJSA-N 0 3 296.371 1.406 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCCN(C)C1 ZINC000356816183 375862447 /nfs/dbraw/zinc/86/24/47/375862447.db2.gz PKJCYVJYFLTCPC-SNVBAGLBSA-N 0 3 280.328 1.100 20 5 CDBDHN CN(C[C@H](O)CSc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000357434877 375909023 /nfs/dbraw/zinc/90/90/23/375909023.db2.gz GPHHGUNUXXNIAW-NSHDSACASA-N 0 3 283.353 1.537 20 5 CDBDHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258330 375960468 /nfs/dbraw/zinc/96/04/68/375960468.db2.gz SXUXUVWNEVBUHP-FZMZJTMJSA-N 0 3 279.340 1.312 20 5 CDBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000171127409 376189291 /nfs/dbraw/zinc/18/92/91/376189291.db2.gz YUOAEYHXJAZUQB-UHFFFAOYSA-N 0 3 299.302 1.042 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C ZINC000262701844 190061564 /nfs/dbraw/zinc/06/15/64/190061564.db2.gz AVYLCYVMJPKSOT-HTQZYQBOSA-N 0 3 269.326 1.479 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCCN1C1CC1 ZINC000433812945 248057767 /nfs/dbraw/zinc/05/77/67/248057767.db2.gz XTLYDUFCQFWDRE-LLVKDONJSA-N 0 3 279.344 1.757 20 5 CDBDHN Cc1n[nH]c(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000266040382 190225393 /nfs/dbraw/zinc/22/53/93/190225393.db2.gz CJPSEFQAXFUPHG-SCZZXKLOSA-N 0 3 295.343 1.039 20 5 CDBDHN Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000266040382 190225394 /nfs/dbraw/zinc/22/53/94/190225394.db2.gz CJPSEFQAXFUPHG-SCZZXKLOSA-N 0 3 295.343 1.039 20 5 CDBDHN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000266040383 190225584 /nfs/dbraw/zinc/22/55/84/190225584.db2.gz CJPSEFQAXFUPHG-WCBMZHEXSA-N 0 3 295.343 1.039 20 5 CDBDHN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000266040383 190225585 /nfs/dbraw/zinc/22/55/85/190225585.db2.gz CJPSEFQAXFUPHG-WCBMZHEXSA-N 0 3 295.343 1.039 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCN2CCCOCC2)c1 ZINC000289460451 197358540 /nfs/dbraw/zinc/35/85/40/197358540.db2.gz OJIYHZGMPFEYHI-UHFFFAOYSA-N 0 3 279.340 1.407 20 5 CDBDHN Cc1ccnc(NC[C@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450590945 251354885 /nfs/dbraw/zinc/35/48/85/251354885.db2.gz FIOWYBGGRBQUEY-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN CN(C)C/C=C\C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000492880511 253315711 /nfs/dbraw/zinc/31/57/11/253315711.db2.gz LNUWWRDTXYEXSF-TWGQIWQCSA-N 0 3 291.351 1.714 20 5 CDBDHN O=[N+]([O-])c1cnc(NC2CCN(C3CC3)CC2)nc1 ZINC000273590503 285180278 /nfs/dbraw/zinc/18/02/78/285180278.db2.gz HGPVHBPULWCCOA-UHFFFAOYSA-N 0 3 263.301 1.424 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCSC[C@@H]2C2CC2)n1 ZINC000451645283 390639230 /nfs/dbraw/zinc/63/92/30/390639230.db2.gz CHQRWNCVYWIHDP-LLVKDONJSA-N 0 3 282.369 1.619 20 5 CDBDHN C[C@H]1C[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341581603 391490878 /nfs/dbraw/zinc/49/08/78/391490878.db2.gz HDDNINNHMZTCOS-QWRGUYRKSA-N 0 3 265.313 1.487 20 5 CDBDHN O=[N+]([O-])c1cccc(CCN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000341894709 130136853 /nfs/dbraw/zinc/13/68/53/130136853.db2.gz FGPYHGHRBRQBJR-LBPRGKRZSA-N 0 3 298.364 1.304 20 5 CDBDHN CS[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270412888 391779295 /nfs/dbraw/zinc/77/92/95/391779295.db2.gz XYCDGCVVNLMQMT-QWRGUYRKSA-N 0 3 282.369 1.472 20 5 CDBDHN CCC[C@@H]1CNCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000420230988 392908360 /nfs/dbraw/zinc/90/83/60/392908360.db2.gz JIQKVNXYGISWMO-SECBINFHSA-N 0 3 295.368 1.882 20 5 CDBDHN COc1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000423064156 392958262 /nfs/dbraw/zinc/95/82/62/392958262.db2.gz QQTSPWXVRFUQNS-ZDUSSCGKSA-N 0 3 293.323 1.347 20 5 CDBDHN CC(C)[C@H]1N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000431123639 393106778 /nfs/dbraw/zinc/10/67/78/393106778.db2.gz ZJXDYFABZCFQHZ-QWHCGFSZSA-N 0 3 296.371 1.519 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000252666699 140321681 /nfs/dbraw/zinc/32/16/81/140321681.db2.gz ASELPBHSONJWDK-LSDHHAIUSA-N 0 3 291.351 1.548 20 5 CDBDHN C[C@H]1CCN[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000423227167 397603023 /nfs/dbraw/zinc/60/30/23/397603023.db2.gz URUCMIYJZVCLRW-AAEUAGOBSA-N 0 3 291.351 1.642 20 5 CDBDHN CCOCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000093313802 147043769 /nfs/dbraw/zinc/04/37/69/147043769.db2.gz ZMXLDJQHUSGAEL-UHFFFAOYSA-N 0 3 295.339 1.892 20 5 CDBDHN C[C@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000343418131 152165285 /nfs/dbraw/zinc/16/52/85/152165285.db2.gz BCNMMORPJRQPQP-CMPLNLGQSA-N 0 3 277.324 1.807 20 5 CDBDHN Cc1[nH]cnc1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000346219417 153102226 /nfs/dbraw/zinc/10/22/26/153102226.db2.gz KGEWUUFCEOIYSQ-UHFFFAOYSA-N 0 3 274.280 1.485 20 5 CDBDHN CCOC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361892624 159010622 /nfs/dbraw/zinc/01/06/22/159010622.db2.gz LTWWMJCCBBOHLL-NEPJUHHUSA-N 0 3 282.340 1.951 20 5 CDBDHN CCO[C@@H]1COCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000362025395 159042524 /nfs/dbraw/zinc/04/25/24/159042524.db2.gz KWIWMOWCSPFTCW-TZMCWYRMSA-N 0 3 280.324 1.878 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCN(C3CC3)C2)cc1 ZINC000044685246 175230765 /nfs/dbraw/zinc/23/07/65/175230765.db2.gz CLOPDCAJJYTCCD-LBPRGKRZSA-N 0 3 261.325 1.921 20 5 CDBDHN Cc1nn(C)c(NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000397885618 270352890 /nfs/dbraw/zinc/35/28/90/270352890.db2.gz IRTFSNHZSPCZFI-UHFFFAOYSA-N 0 3 253.306 1.143 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCN(C3CCCCC3)CC2)nc1 ZINC000273996346 275040859 /nfs/dbraw/zinc/04/08/59/275040859.db2.gz SHHSLJGTKAPQTH-UHFFFAOYSA-N 0 3 291.355 1.840 20 5 CDBDHN CC[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N(C)C ZINC000332711807 276542179 /nfs/dbraw/zinc/54/21/79/276542179.db2.gz LKYTVEVSRVQGTM-CYBMUJFWSA-N 0 3 292.339 1.215 20 5 CDBDHN COCC[C@]1(NCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000447074909 277557132 /nfs/dbraw/zinc/55/71/32/277557132.db2.gz IJXBFQBMWGDDHA-AWEZNQCLSA-N 0 3 280.324 1.880 20 5 CDBDHN CCN(CC)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282475477 279086464 /nfs/dbraw/zinc/08/64/64/279086464.db2.gz LBMFMSDZNOPTJK-UHFFFAOYSA-N 0 3 293.367 1.938 20 5 CDBDHN CCN(C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066988560 279202142 /nfs/dbraw/zinc/20/21/42/279202142.db2.gz AXFOZVYSDHXMDE-LLVKDONJSA-N 0 3 294.355 1.907 20 5 CDBDHN CC(C)n1cc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000090539868 279278710 /nfs/dbraw/zinc/27/87/10/279278710.db2.gz BHCVZVDQCAZCLH-LLVKDONJSA-N 0 3 292.343 1.920 20 5 CDBDHN C[C@H](CO)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000248940417 280396018 /nfs/dbraw/zinc/39/60/18/280396018.db2.gz NYGPFWHICODVBC-MNOVXSKESA-N 0 3 268.313 1.158 20 5 CDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000568608404 294066246 /nfs/dbraw/zinc/06/62/46/294066246.db2.gz OBPZCETXISTRLJ-UHFFFAOYSA-N 0 3 278.312 1.100 20 5 CDBDHN Cc1nc(NC[C@@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000570789478 294307506 /nfs/dbraw/zinc/30/75/06/294307506.db2.gz STPKECRRHGTNAF-JTQLQIEISA-N 0 3 277.328 1.011 20 5 CDBDHN Cc1nc(N2C[C@H]3CCC[C@@H](C2)N3)ncc1[N+](=O)[O-] ZINC000583802731 325243134 /nfs/dbraw/zinc/24/31/34/325243134.db2.gz ITAINLDWBRDBIM-AOOOYVTPSA-N 0 3 263.301 1.024 20 5 CDBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000417941934 534472079 /nfs/dbraw/zinc/47/20/79/534472079.db2.gz NJWBVUGUFROPRT-UHFFFAOYSA-N 0 3 292.339 1.142 20 5 CDBDHN C[C@H](NC[C@@H]1CC[C@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000340416441 525394673 /nfs/dbraw/zinc/39/46/73/525394673.db2.gz NAOAHADTSKUEOK-LEWSCRJBSA-N 0 3 280.324 1.785 20 5 CDBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@H](CO)C1CC1 ZINC000771816576 575702585 /nfs/dbraw/zinc/70/25/85/575702585.db2.gz YOKMYBMWMJVOMD-LLVKDONJSA-N 0 3 254.261 1.594 20 5 CDBDHN C[S@@](=O)CCCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000735085234 575423057 /nfs/dbraw/zinc/42/30/57/575423057.db2.gz MOGVHRKKAZDCLP-BQHGXPCASA-N 0 3 282.365 1.966 20 5 CDBDHN O=c1c([N+](=O)[O-])cn(CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000768461705 576286779 /nfs/dbraw/zinc/28/67/79/576286779.db2.gz FTFOMHZWEOOBDV-UHFFFAOYSA-N 0 3 296.283 1.151 20 5 CDBDHN C[C@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000744351899 576677065 /nfs/dbraw/zinc/67/70/65/576677065.db2.gz YPTLGWQVSOYYQU-JTQLQIEISA-N 0 3 280.328 1.147 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]CC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000892534529 617483155 /nfs/dbraw/zinc/48/31/55/617483155.db2.gz NLQGOPVKQAFDRI-LLVKDONJSA-N 0 3 296.323 1.968 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782632417 617533354 /nfs/dbraw/zinc/53/33/54/617533354.db2.gz KIFYXDSBALHJSK-OCCSQVGLSA-N 0 3 262.309 1.452 20 5 CDBDHN C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)CN1C1CC1 ZINC000892875633 617853246 /nfs/dbraw/zinc/85/32/46/617853246.db2.gz HHEPYFUTWGSHJL-BDAKNGLRSA-N 0 3 265.317 1.365 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCN1C(C)(C)C ZINC000894476608 618910202 /nfs/dbraw/zinc/91/02/02/618910202.db2.gz QTGWUFKDTGKFCE-SECBINFHSA-N 0 3 267.333 1.613 20 5 CDBDHN CCCN1CC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000894594044 618985845 /nfs/dbraw/zinc/98/58/45/618985845.db2.gz YCRPLBLCTKBSIP-VIFPVBQESA-N 0 3 253.306 1.225 20 5 CDBDHN CC(C)(C)OC(=O)N1CCC[C@H]1CNCC[N+](=O)[O-] ZINC000905102122 626620550 /nfs/dbraw/zinc/62/05/50/626620550.db2.gz QUVXJYRKIYZIBV-JTQLQIEISA-N 0 3 273.333 1.252 20 5 CDBDHN C[C@H](N)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000881353029 677962230 /nfs/dbraw/zinc/96/22/30/677962230.db2.gz DXKNWIPFNWVGSD-LURJTMIESA-N 0 3 283.238 1.533 20 5 CDBDHN CC(COC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)[N+](=O)[O-] ZINC000813103211 678145341 /nfs/dbraw/zinc/14/53/41/678145341.db2.gz AZCSELLXVNQXFA-LKFCYVNXSA-N 0 3 293.275 1.367 20 5 CDBDHN COC[C@H](O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000802660060 679677714 /nfs/dbraw/zinc/67/77/14/679677714.db2.gz ZIGGOQBCTBKBAC-SECBINFHSA-N 0 3 274.704 1.345 20 5 CDBDHN CC(C)(Cn1cc(CNC2CCCCC2)nn1)[N+](=O)[O-] ZINC000864642884 677737031 /nfs/dbraw/zinc/73/70/31/677737031.db2.gz YYYZOOPSULCPTG-UHFFFAOYSA-N 0 3 281.360 1.756 20 5 CDBDHN CC(C)(O)CN1CC[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882678244 677830782 /nfs/dbraw/zinc/83/07/82/677830782.db2.gz PAAKUGMZECTQIE-VIFPVBQESA-N 0 3 298.318 1.386 20 5 CDBDHN C[C@@H](NCC[S@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000131419688 677861327 /nfs/dbraw/zinc/86/13/27/677861327.db2.gz HJFLSOQGJJSAIY-VVVCHXIZSA-N 0 3 256.327 1.624 20 5 CDBDHN Cc1nn(CN2CC[C@H](N3CC=CC3)C2)c(C)c1[N+](=O)[O-] ZINC000172933289 677988814 /nfs/dbraw/zinc/98/88/14/677988814.db2.gz RGWMYEXPHPTQRZ-ZDUSSCGKSA-N 0 3 291.355 1.312 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CC[C@H]2C3)c1 ZINC000597710040 678337537 /nfs/dbraw/zinc/33/75/37/678337537.db2.gz POIBLVZCJTZAJR-JTQLQIEISA-N 0 3 291.307 1.134 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@H](CO)C1)OCCO2 ZINC000923006429 678403342 /nfs/dbraw/zinc/40/33/42/678403342.db2.gz CJCDIPCEUJPKSF-HOMQSWHASA-N 0 3 294.307 1.227 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCN1 ZINC000856489519 678724608 /nfs/dbraw/zinc/72/46/08/678724608.db2.gz NVJJHJOKMLVEFT-ZDUSSCGKSA-N 0 3 295.314 1.804 20 5 CDBDHN COC(=O)Cc1ccc(N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001167278645 1158555806 /nfs/dbraw/zinc/55/58/06/1158555806.db2.gz PLGOGGKDPYVPFJ-LBPRGKRZSA-N 0 3 293.323 1.426 20 5 CDBDHN C[C@@H](NC[C@@H]1CCC(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932178399 679367302 /nfs/dbraw/zinc/36/73/02/679367302.db2.gz NIXKUADEVBGALO-SKDRFNHKSA-N 0 3 264.281 1.951 20 5 CDBDHN O=[N+]([O-])c1cccc(-c2noc(C[C@@H]3CNCCO3)n2)c1 ZINC000091294955 679432785 /nfs/dbraw/zinc/43/27/85/679432785.db2.gz BHTXCDYIIXWGLV-LLVKDONJSA-N 0 3 290.279 1.176 20 5 CDBDHN O=C1NCCN1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000886744916 679634083 /nfs/dbraw/zinc/63/40/83/679634083.db2.gz KBGAAAKZMXJFHA-LBPRGKRZSA-N 0 3 290.323 1.197 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CNCCO2)c1 ZINC000841098455 679644711 /nfs/dbraw/zinc/64/47/11/679644711.db2.gz FBNAMKUDCMACMO-NSHDSACASA-N 0 3 285.731 1.326 20 5 CDBDHN CCOc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1CNCCO1 ZINC001170568753 1162947204 /nfs/dbraw/zinc/94/72/04/1162947204.db2.gz PBIVNVRYIIRDGF-QMTHXVAHSA-N 0 3 295.339 1.782 20 5 CDBDHN C[C@H](Nc1ccc2nc[nH]c2c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170574812 1162978599 /nfs/dbraw/zinc/97/85/99/1162978599.db2.gz UFZIISWNJYYWBO-GZMMTYOYSA-N 0 3 291.311 1.260 20 5 CDBDHN NCc1cnnn1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001169311213 1162003761 /nfs/dbraw/zinc/00/37/61/1162003761.db2.gz RXQVULRUMLWZAB-UHFFFAOYSA-N 0 3 297.278 1.091 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC(=O)C[C@H](N)c1ccccc1 ZINC001579985218 1172315165 /nfs/dbraw/zinc/31/51/65/1172315165.db2.gz SCEMNBFEWHNXMV-JTQLQIEISA-N 0 3 289.295 1.357 20 5 CDBDHN C[C@@H]1CCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590265372 1173329325 /nfs/dbraw/zinc/32/93/25/1173329325.db2.gz SMVPZTVLULNDNH-SECBINFHSA-N 0 3 288.311 1.759 20 5 CDBDHN C[C@@H]1CCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590265372 1173329334 /nfs/dbraw/zinc/32/93/34/1173329334.db2.gz SMVPZTVLULNDNH-SECBINFHSA-N 0 3 288.311 1.759 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000401236089 1186408265 /nfs/dbraw/zinc/40/82/65/1186408265.db2.gz RGVUMPOJFGTHGY-HRDYMLBCSA-N 0 3 283.353 1.867 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](n2ncc3c2CCNC3)C1 ZINC001169011027 927617881 /nfs/dbraw/zinc/61/78/81/927617881.db2.gz HKJWMXUXUFBFML-GXSJLCMTSA-N 0 3 250.302 1.147 20 5 CDBDHN C[C@H](N)c1ccn(-c2ccc3nsnc3c2[N+](=O)[O-])n1 ZINC001169233165 927845086 /nfs/dbraw/zinc/84/50/86/927845086.db2.gz NGXIHVMKNREKGT-LURJTMIESA-N 0 3 290.308 1.805 20 5 CDBDHN CCC/C=C/CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835776 929478356 /nfs/dbraw/zinc/47/83/56/929478356.db2.gz OKZLGMOTBWCEMD-KOABKASLSA-N 0 3 295.383 1.542 20 5 CDBDHN CSCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123166289 936121871 /nfs/dbraw/zinc/12/18/71/936121871.db2.gz MXNZAUPBMXJQSR-UHFFFAOYSA-N 0 3 283.353 1.164 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(N2C[C@H]3[C@H](C2)CCCN3C)n1 ZINC001157264547 938471879 /nfs/dbraw/zinc/47/18/79/938471879.db2.gz FGDGLYUIUAPPHR-JQWIXIFHSA-N 0 3 277.328 1.224 20 5 CDBDHN C[C@H](N)c1ccn(-c2cnc3cc([N+](=O)[O-])ccc3n2)n1 ZINC001158348451 938612003 /nfs/dbraw/zinc/61/20/03/938612003.db2.gz HGPILQXKCQDBKB-QMMMGPOBSA-N 0 3 284.279 1.743 20 5 CDBDHN CN1CCC[C@](C)(Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001162336397 939027316 /nfs/dbraw/zinc/02/73/16/939027316.db2.gz ATBMEGUYJZTHLA-LBPRGKRZSA-N 0 3 265.317 1.468 20 5 CDBDHN Cc1cc([N+](=O)[O-])c(-n2ncc3c2CCNC3)nc1Cl ZINC001165219440 939526615 /nfs/dbraw/zinc/52/66/15/939526615.db2.gz RWGHKUNLOHAZFT-UHFFFAOYSA-N 0 3 293.714 1.783 20 5 CDBDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000400866157 940859406 /nfs/dbraw/zinc/85/94/06/940859406.db2.gz FKFYLRQIULFRAO-ZYHUDNBSSA-N 0 3 279.340 1.975 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccnc(N)c1 ZINC001226658157 942043581 /nfs/dbraw/zinc/04/35/81/942043581.db2.gz YRMRBQCNCTZENN-MRVPVSSYSA-N 0 3 277.284 1.544 20 5 CDBDHN CN1CC[C@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229399536 942465081 /nfs/dbraw/zinc/46/50/81/942465081.db2.gz LWCZAAOPDMKIRL-JTQLQIEISA-N 0 3 274.280 1.621 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1nncc3n[nH]cc31)C2 ZINC001230894532 942726838 /nfs/dbraw/zinc/72/68/38/942726838.db2.gz ALGDERWMDUIKLH-NSHDSACASA-N 0 3 297.274 1.807 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN2CC[C@@H]2C1 ZINC001254568500 947529998 /nfs/dbraw/zinc/52/99/98/947529998.db2.gz GJLARHLDAYNHSZ-GXTWGEPZSA-N 0 3 275.352 1.916 20 5 CDBDHN CCC1(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254575202 947535829 /nfs/dbraw/zinc/53/58/29/947535829.db2.gz POBUNUFHVLARFM-GFCCVEGCSA-N 0 3 262.309 1.831 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](F)[C@@H](O)C1)C2 ZINC001254597935 947545931 /nfs/dbraw/zinc/54/59/31/947545931.db2.gz JMLMZPFUKTUSML-RDBSUJKOSA-N 0 3 280.299 1.467 20 5 CDBDHN COC(CN(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001254604311 947552182 /nfs/dbraw/zinc/55/21/82/947552182.db2.gz VDBZRCXOHLFPMW-CYBMUJFWSA-N 0 3 280.324 1.613 20 5 CDBDHN CC(C)c1n[n-]c(C(=O)NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001324140323 961195582 /nfs/dbraw/zinc/19/55/82/961195582.db2.gz RDCSZRRTXCJSMV-UHFFFAOYSA-N 0 3 293.327 1.043 20 5 CDBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)c2ccccc21)[N+](=O)[O-] ZINC001343370797 963962357 /nfs/dbraw/zinc/96/23/57/963962357.db2.gz FSUCGZYNIXZTDG-GXSJLCMTSA-N 0 3 292.291 1.345 20 5 CDBDHN CC(C)Cn1cccc(C(=O)OCC(C)[N+](=O)[O-])c1=O ZINC001346124736 964947452 /nfs/dbraw/zinc/94/74/52/964947452.db2.gz ZEWJBCLTCBDQFL-SNVBAGLBSA-N 0 3 282.296 1.326 20 5 CDBDHN CN1CCN(CC2CN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000601187415 342489371 /nfs/dbraw/zinc/48/93/71/342489371.db2.gz SILZSVQBIITBBM-UHFFFAOYSA-N 0 3 296.396 1.340 20 5 CDBDHN C[C@]1(O)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000124952135 187162812 /nfs/dbraw/zinc/16/28/12/187162812.db2.gz MRLMAUVIBFWWQP-KBPBESRZSA-N 0 3 280.324 1.475 20 5 CDBDHN Cc1n[nH]c(C(=O)N2CCCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000609175379 342093053 /nfs/dbraw/zinc/09/30/53/342093053.db2.gz SCQOYHJQYHDMEP-JTQLQIEISA-N 0 3 295.343 1.183 20 5 CDBDHN Cc1[nH]nc(C(=O)N2CCCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000609175379 342093054 /nfs/dbraw/zinc/09/30/54/342093054.db2.gz SCQOYHJQYHDMEP-JTQLQIEISA-N 0 3 295.343 1.183 20 5 CDBDHN CC1(C)CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1 ZINC000591444515 342632525 /nfs/dbraw/zinc/63/25/25/342632525.db2.gz ADNACVWJZZZHKM-UHFFFAOYSA-N 0 3 276.340 1.751 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](OC3CCC3)C2)n1 ZINC000594026745 342867793 /nfs/dbraw/zinc/86/77/93/342867793.db2.gz ODPOKXGJARAFQB-CYBMUJFWSA-N 0 3 294.355 1.825 20 5 CDBDHN C[C@@H](CC[S@@](C)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000125533455 187190354 /nfs/dbraw/zinc/19/03/54/187190354.db2.gz ACLVHKNKBCKLRA-YPMLDQLKSA-N 0 3 270.354 1.842 20 5 CDBDHN CN(C)CCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000085361114 342224553 /nfs/dbraw/zinc/22/45/53/342224553.db2.gz XTYZZRDONAGJLW-UHFFFAOYSA-N 0 3 293.367 1.892 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710398 342243713 /nfs/dbraw/zinc/24/37/13/342243713.db2.gz OGGMFLOMGZPEMV-AAEUAGOBSA-N 0 3 279.340 1.542 20 5 CDBDHN C[C@@H]1OCC[C@]1(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494255606 539113989 /nfs/dbraw/zinc/11/39/89/539113989.db2.gz BVTFMFGHLLNKJR-XPTSAGLGSA-N 0 3 293.323 1.351 20 5 CDBDHN Cc1cc(NCCCN2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000074742047 342303698 /nfs/dbraw/zinc/30/36/98/342303698.db2.gz VPAJAQASXZOJPL-UHFFFAOYSA-N 0 3 294.355 1.557 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C2CCC1CC2 ZINC000542208762 362092314 /nfs/dbraw/zinc/09/23/14/362092314.db2.gz ANKWQZSIYQFFPE-WXRRBKDZSA-N 0 3 292.335 1.961 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC(C)(C)CN1CCCC1 ZINC000565758137 365713973 /nfs/dbraw/zinc/71/39/73/365713973.db2.gz UBHIJXOCWWUVRX-UHFFFAOYSA-N 0 3 294.355 1.538 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595876230 343178076 /nfs/dbraw/zinc/17/80/76/343178076.db2.gz RCFAWCDEWVPLTR-IUODEOHRSA-N 0 3 294.351 1.924 20 5 CDBDHN CC1(C)CCCN(CCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596213111 343268256 /nfs/dbraw/zinc/26/82/56/343268256.db2.gz SBZYMFHFOWPIDO-UHFFFAOYSA-N 0 3 293.371 1.528 20 5 CDBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000597926098 343664051 /nfs/dbraw/zinc/66/40/51/343664051.db2.gz VBYAFHQFXYRQCE-SECBINFHSA-N 0 3 280.328 1.526 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC=C(C)C1 ZINC000602823260 344610955 /nfs/dbraw/zinc/61/09/55/344610955.db2.gz BFYXTTYUIMEPLS-UHFFFAOYSA-N 0 3 250.302 1.752 20 5 CDBDHN CCn1cc([C@@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cn1 ZINC000602840305 344621310 /nfs/dbraw/zinc/62/13/10/344621310.db2.gz NBWOTTLGTRCFKX-SNVBAGLBSA-N 0 3 292.343 1.667 20 5 CDBDHN CCO[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842166 344622234 /nfs/dbraw/zinc/62/22/34/344622234.db2.gz QQQBVYIJACCKCD-DGCLKSJQSA-N 0 3 296.371 1.847 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810241 344983544 /nfs/dbraw/zinc/98/35/44/344983544.db2.gz NZNWEXJFOXLQMX-GFCCVEGCSA-N 0 3 279.340 1.927 20 5 CDBDHN C[C@@H](NC(=O)CNC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000037766549 346368282 /nfs/dbraw/zinc/36/82/82/346368282.db2.gz VVHDAHUYQSEAGT-SECBINFHSA-N 0 3 263.297 1.524 20 5 CDBDHN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000086467345 179297387 /nfs/dbraw/zinc/29/73/87/179297387.db2.gz RRCWQZQUYJLTDO-UWVGGRQHSA-N 0 3 263.297 1.417 20 5 CDBDHN C[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000068064603 349047334 /nfs/dbraw/zinc/04/73/34/349047334.db2.gz AETLZGXVFBZEEG-MRVPVSSYSA-N 0 3 291.311 1.151 20 5 CDBDHN Cc1cccc(C(=O)NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000067701334 349033301 /nfs/dbraw/zinc/03/33/01/349033301.db2.gz WNIIVYCFZGGYHA-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN COc1ccc(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000067701850 349033727 /nfs/dbraw/zinc/03/37/27/349033727.db2.gz METVQCAMBHTUII-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)N1 ZINC000306117747 350147233 /nfs/dbraw/zinc/14/72/33/350147233.db2.gz ZZIGNVKORNTUOL-OCAPTIKFSA-N 0 3 270.720 1.830 20 5 CDBDHN Cc1cnn(CCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000105881270 186083798 /nfs/dbraw/zinc/08/37/98/186083798.db2.gz NFSWMLVNFWXWAU-UHFFFAOYSA-N 0 3 260.297 1.890 20 5 CDBDHN COc1ccc(CNC2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000106465695 186119614 /nfs/dbraw/zinc/11/96/14/186119614.db2.gz PRCMAXOVOLELDD-UHFFFAOYSA-N 0 3 280.324 1.997 20 5 CDBDHN O=[N+]([O-])c1cccnc1NCCN1CCCCC1 ZINC000042295482 357062154 /nfs/dbraw/zinc/06/21/54/357062154.db2.gz ZCXVOHDRHUYKCK-UHFFFAOYSA-N 0 3 250.302 1.888 20 5 CDBDHN C[C@H](O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331332565 357443630 /nfs/dbraw/zinc/44/36/30/357443630.db2.gz SIFMWIWYBBVZLG-NWDGAFQWSA-N 0 3 282.344 1.417 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC[C@@H](CO)C2)cc1 ZINC000294916971 199246897 /nfs/dbraw/zinc/24/68/97/199246897.db2.gz APSLNZGUGFEPJM-NEPJUHHUSA-N 0 3 250.298 1.845 20 5 CDBDHN O=[N+]([O-])c1ncccc1NCCN1CCCCC1 ZINC000134564745 358633896 /nfs/dbraw/zinc/63/38/96/358633896.db2.gz DSCYBKZFSHAMOF-UHFFFAOYSA-N 0 3 250.302 1.888 20 5 CDBDHN CC[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341573462 358661732 /nfs/dbraw/zinc/66/17/32/358661732.db2.gz DRVMAULYUVACEV-AWEZNQCLSA-N 0 3 279.340 1.879 20 5 CDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106886078 359011790 /nfs/dbraw/zinc/01/17/90/359011790.db2.gz SECSXGIDTULBFF-CHWSQXEVSA-N 0 3 296.323 1.055 20 5 CDBDHN Cc1ccc(NCCOCCN(C)C)c([N+](=O)[O-])c1 ZINC000231208236 359253254 /nfs/dbraw/zinc/25/32/54/359253254.db2.gz XSFLLLBZFSLTQR-UHFFFAOYSA-N 0 3 267.329 1.893 20 5 CDBDHN CC(C)[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000297275114 200132433 /nfs/dbraw/zinc/13/24/33/200132433.db2.gz BAWHQPRWGSQDCF-LBPRGKRZSA-N 0 3 263.297 1.467 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCN(C)CC1 ZINC000298198648 200358532 /nfs/dbraw/zinc/35/85/32/200358532.db2.gz FHAHXRBAYGXKAU-UHFFFAOYSA-N 0 3 283.353 1.823 20 5 CDBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000176371710 360253732 /nfs/dbraw/zinc/25/37/32/360253732.db2.gz DMLKEMROZHDEAJ-UHFFFAOYSA-N 0 3 257.315 1.290 20 5 CDBDHN CC1(C)[C@H](O)C[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000514795736 360228967 /nfs/dbraw/zinc/22/89/67/360228967.db2.gz CXCBOLVMPRDZGU-QWHCGFSZSA-N 0 3 280.324 1.723 20 5 CDBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1N(C)C ZINC000270343254 360436863 /nfs/dbraw/zinc/43/68/63/360436863.db2.gz FNBZEDLECAUWFZ-NXEZZACHSA-N 0 3 299.400 1.119 20 5 CDBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCC(N)=O ZINC000289725812 360726200 /nfs/dbraw/zinc/72/62/00/360726200.db2.gz PMPCWAZITCJGJL-GQCTYLIASA-N 0 3 263.297 1.415 20 5 CDBDHN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000053711712 370670594 /nfs/dbraw/zinc/67/05/94/370670594.db2.gz NIOQHCSNPMCWKQ-DTORHVGOSA-N 0 3 253.277 1.921 20 5 CDBDHN CCN1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000299575428 200786195 /nfs/dbraw/zinc/78/61/95/200786195.db2.gz CFCSWZKTJFNHBP-UHFFFAOYSA-N 0 3 291.351 1.692 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000408461499 361151125 /nfs/dbraw/zinc/15/11/25/361151125.db2.gz APQUFCHWINCVQS-RNCFNFMXSA-N 0 3 293.298 1.510 20 5 CDBDHN CCOCCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182382131 189322384 /nfs/dbraw/zinc/32/23/84/189322384.db2.gz IGKBPGMDTNNYPW-GFCCVEGCSA-N 0 3 298.339 1.303 20 5 CDBDHN O=C1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C2(CCC2)N1 ZINC000282578127 239117818 /nfs/dbraw/zinc/11/78/18/239117818.db2.gz BBQYEVZBFROGKX-ZDUSSCGKSA-N 0 3 289.335 1.886 20 5 CDBDHN Cc1c(CN2C[C@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351795636 364009869 /nfs/dbraw/zinc/00/98/69/364009869.db2.gz OCGROWQYHJWIAX-TVQRCGJNSA-N 0 3 250.298 1.716 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000037985607 363962364 /nfs/dbraw/zinc/96/23/64/363962364.db2.gz JRXWXQYZQIFOMB-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN CC(C)O[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000581009880 363963470 /nfs/dbraw/zinc/96/34/70/363963470.db2.gz XZNZFMSIAGDYLO-GFCCVEGCSA-N 0 3 268.317 1.291 20 5 CDBDHN CSCC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027102567 367121784 /nfs/dbraw/zinc/12/17/84/367121784.db2.gz KYXSJKUCWIHZLG-JTQLQIEISA-N 0 3 269.326 1.614 20 5 CDBDHN C[C@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975217 367908382 /nfs/dbraw/zinc/90/83/82/367908382.db2.gz UYOSIKZULUEOQT-JTQLQIEISA-N 0 3 293.323 1.312 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000275969417 193177135 /nfs/dbraw/zinc/17/71/35/193177135.db2.gz LOGZHQGNFJAUSC-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668492 369784118 /nfs/dbraw/zinc/78/41/18/369784118.db2.gz TZCLLLGUSFWXGE-BXKDBHETSA-N 0 3 265.313 1.584 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000368463260 373841253 /nfs/dbraw/zinc/84/12/53/373841253.db2.gz UASVEFYOVLMEKW-RBSFLKMASA-N 0 3 292.335 1.785 20 5 CDBDHN COC(=O)[C@@H](C)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000298716391 374075107 /nfs/dbraw/zinc/07/51/07/374075107.db2.gz IZAWNLVTCPYILM-NSHDSACASA-N 0 3 296.323 1.715 20 5 CDBDHN COC[C@@H](O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308771 374244962 /nfs/dbraw/zinc/24/49/62/374244962.db2.gz ICNXGFRPSZAFEH-DZGCQCFKSA-N 0 3 294.351 1.959 20 5 CDBDHN NC1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000423848384 246143250 /nfs/dbraw/zinc/14/32/50/246143250.db2.gz POGZRJXASCPXDQ-UHFFFAOYSA-N 0 3 269.688 1.356 20 5 CDBDHN CCOC[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000081519355 374513683 /nfs/dbraw/zinc/51/36/83/374513683.db2.gz RUDKTTYJJYOZCX-LLVKDONJSA-N 0 3 268.317 1.150 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)[C@@H]1CCCO1 ZINC000447911839 374720709 /nfs/dbraw/zinc/72/07/09/374720709.db2.gz FOLSFGYZNHYDLB-AAEUAGOBSA-N 0 3 296.323 1.103 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)[C@@H]2CCOC2)cs1 ZINC000280382611 374994224 /nfs/dbraw/zinc/99/42/24/374994224.db2.gz VVTYFQMVCPUXEO-MNOVXSKESA-N 0 3 286.353 1.391 20 5 CDBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCOC1 ZINC000280601890 375006701 /nfs/dbraw/zinc/00/67/01/375006701.db2.gz ODOOOMJPNVCLMI-NXEZZACHSA-N 0 3 290.323 1.986 20 5 CDBDHN COCCOCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283693805 375122797 /nfs/dbraw/zinc/12/27/97/375122797.db2.gz AOASMUXRUUWVBX-JTQLQIEISA-N 0 3 283.328 1.491 20 5 CDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN(C)C1CC1 ZINC000350714499 375230149 /nfs/dbraw/zinc/23/01/49/375230149.db2.gz OIZCYVDBWMIELK-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN COc1cc(CNCCN2CCC2)c([N+](=O)[O-])cc1OC ZINC000344833176 375540959 /nfs/dbraw/zinc/54/09/59/375540959.db2.gz DCLFWQXSVYWQRR-UHFFFAOYSA-N 0 3 295.339 1.407 20 5 CDBDHN C[C@H]1CCN(C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000354086184 375670687 /nfs/dbraw/zinc/67/06/87/375670687.db2.gz NKFKTRJJLLQAQG-JTQLQIEISA-N 0 3 250.302 1.520 20 5 CDBDHN C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000228053794 375679897 /nfs/dbraw/zinc/67/98/97/375679897.db2.gz LBGSAFVJODXWRJ-MISXGVKJSA-N 0 3 280.324 1.785 20 5 CDBDHN Cc1c(C(=O)N2CCN[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000262778931 190062699 /nfs/dbraw/zinc/06/26/99/190062699.db2.gz LYUZFYWCAPRXMH-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000263739998 190076221 /nfs/dbraw/zinc/07/62/21/190076221.db2.gz OIPOKDGEEJOELO-UHFFFAOYSA-N 0 3 283.353 1.870 20 5 CDBDHN COc1cc(C(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000171275493 376508135 /nfs/dbraw/zinc/50/81/35/376508135.db2.gz FQWNRFJYLFGSFL-LLVKDONJSA-N 0 3 293.323 1.427 20 5 CDBDHN COCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000263812019 190080653 /nfs/dbraw/zinc/08/06/53/190080653.db2.gz XCNOENXYYZYQIM-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000265294329 190172951 /nfs/dbraw/zinc/17/29/51/190172951.db2.gz KZQSHVHJXMXTAI-SNVBAGLBSA-N 0 3 280.328 1.337 20 5 CDBDHN CC(C)(C)[C@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000265460122 190183731 /nfs/dbraw/zinc/18/37/31/190183731.db2.gz XCOWQSCDGQXCFC-LBPRGKRZSA-N 0 3 295.339 1.190 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCCN(C)C1 ZINC000265997982 190221663 /nfs/dbraw/zinc/22/16/63/190221663.db2.gz RKZXNQWFKTWRBY-SECBINFHSA-N 0 3 266.301 1.089 20 5 CDBDHN CCN(CC)CCSc1c([N+](=O)[O-])ncn1C ZINC000266145009 190234487 /nfs/dbraw/zinc/23/44/87/190234487.db2.gz ROYPCAMTHANUKS-UHFFFAOYSA-N 0 3 258.347 1.762 20 5 CDBDHN COc1ccc(CN(C[C@@H](C)O)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000190865803 378992902 /nfs/dbraw/zinc/99/29/02/378992902.db2.gz PXINUFKIZOIJMZ-WDEREUQCSA-N 0 3 298.339 1.167 20 5 CDBDHN CC(C)(C)[C@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444709327 250172374 /nfs/dbraw/zinc/17/23/74/250172374.db2.gz QFFIWTYTSBRBNX-LBPRGKRZSA-N 0 3 292.339 1.968 20 5 CDBDHN COCCN1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000266844427 190284324 /nfs/dbraw/zinc/28/43/24/190284324.db2.gz OGMINWNVMHCFDO-LLVKDONJSA-N 0 3 280.328 1.431 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2CCO)c1 ZINC000174855274 379592400 /nfs/dbraw/zinc/59/24/00/379592400.db2.gz HZSNBKSJGBQXSH-LLVKDONJSA-N 0 3 268.317 1.028 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CNCCO1 ZINC000415091916 391014844 /nfs/dbraw/zinc/01/48/44/391014844.db2.gz DLYHQJSEOQURBX-MASHWEEQSA-N 0 3 277.324 1.186 20 5 CDBDHN C[C@@H]1CCN(C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000344446292 390990624 /nfs/dbraw/zinc/99/06/24/390990624.db2.gz ZQHZDLLQWJTMCY-SNVBAGLBSA-N 0 3 250.302 1.520 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180892339 391010021 /nfs/dbraw/zinc/01/00/21/391010021.db2.gz KKULBUPXKWHUPH-SNVBAGLBSA-N 0 3 292.339 1.391 20 5 CDBDHN CNC(=O)C[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000322965132 391463030 /nfs/dbraw/zinc/46/30/30/391463030.db2.gz VPPRXERZIZRABF-JTQLQIEISA-N 0 3 281.312 1.088 20 5 CDBDHN COC[C@@H](CCO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268971416 391474240 /nfs/dbraw/zinc/47/42/40/391474240.db2.gz AOYNVQYNULMJNG-VXGBXAGGSA-N 0 3 282.340 1.951 20 5 CDBDHN CCN1CCCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266248368 391480458 /nfs/dbraw/zinc/48/04/58/391480458.db2.gz ZOBQYDLOROXXRJ-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN NC(=O)c1cccc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000341828050 130060106 /nfs/dbraw/zinc/06/01/06/130060106.db2.gz WQNDIJLQRPWFNP-UHFFFAOYSA-N 0 3 278.312 1.201 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000449185627 392075447 /nfs/dbraw/zinc/07/54/47/392075447.db2.gz GXXOEZNRIFAYPK-SECBINFHSA-N 0 3 275.308 1.624 20 5 CDBDHN CN1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023827 392766805 /nfs/dbraw/zinc/76/68/05/392766805.db2.gz WGUUPYVNKDDWCL-PWSUYJOCSA-N 0 3 277.328 1.305 20 5 CDBDHN CCC[C@H](O)[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000419804402 392897789 /nfs/dbraw/zinc/89/77/89/392897789.db2.gz DALXGDFQPYVECV-STQMWFEESA-N 0 3 268.313 1.206 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](N)C1CCC1 ZINC000423059754 392958703 /nfs/dbraw/zinc/95/87/03/392958703.db2.gz GJTDTNGPMPJTKC-CYBMUJFWSA-N 0 3 293.323 1.347 20 5 CDBDHN CS[C@H](CO)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000219074946 140166892 /nfs/dbraw/zinc/16/68/92/140166892.db2.gz JRYTZMPGOAQCGR-BXKDBHETSA-N 0 3 270.354 1.797 20 5 CDBDHN Cc1c(CNC(=O)[C@@H](N)CC(C)C)cccc1[N+](=O)[O-] ZINC000231856882 140219703 /nfs/dbraw/zinc/21/97/03/140219703.db2.gz PJTPZWCKLALXGL-LBPRGKRZSA-N 0 3 279.340 1.893 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000033093658 397883529 /nfs/dbraw/zinc/88/35/29/397883529.db2.gz BFUFBGXMGWBKBH-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000150755202 398131434 /nfs/dbraw/zinc/13/14/34/398131434.db2.gz NEKZNRIQCHLKTG-GFCCVEGCSA-N 0 3 294.355 1.496 20 5 CDBDHN C[C@H]1OCC[C@]1(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000312618905 149235842 /nfs/dbraw/zinc/23/58/42/149235842.db2.gz WGPPVPNWAVBUGY-RNCFNFMXSA-N 0 3 284.287 1.363 20 5 CDBDHN Cn1c(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000352596656 155293226 /nfs/dbraw/zinc/29/32/26/155293226.db2.gz CBNPWURDMWNSIU-ZYHUDNBSSA-N 0 3 292.339 1.100 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000375356532 160372340 /nfs/dbraw/zinc/37/23/40/160372340.db2.gz RCHXHVCVZQMCKV-QWHCGFSZSA-N 0 3 280.328 1.435 20 5 CDBDHN COC(=O)CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373233751 160183931 /nfs/dbraw/zinc/18/39/31/160183931.db2.gz UCSYHYCORDOUBW-UHFFFAOYSA-N 0 3 296.327 1.381 20 5 CDBDHN COC[C@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000285308247 196246212 /nfs/dbraw/zinc/24/62/12/196246212.db2.gz SJMSGWFUXPBBTJ-ONGXEEELSA-N 0 3 283.328 1.489 20 5 CDBDHN CNC(=O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044988721 175285521 /nfs/dbraw/zinc/28/55/21/175285521.db2.gz GBOAEBSXJKTGLZ-JTQLQIEISA-N 0 3 265.313 1.690 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CCN1C ZINC000090795118 274395064 /nfs/dbraw/zinc/39/50/64/274395064.db2.gz ZAUYEQCUJISKJM-ZJUUUORDSA-N 0 3 250.302 1.884 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCN(C3CC3)C2)nc1 ZINC000040454704 279142471 /nfs/dbraw/zinc/14/24/71/279142471.db2.gz RJQBWJBGKUHNIB-VIFPVBQESA-N 0 3 263.301 1.281 20 5 CDBDHN Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000108346997 279306308 /nfs/dbraw/zinc/30/63/08/279306308.db2.gz HYWOTYMDJLHZAN-LBPRGKRZSA-N 0 3 291.351 1.975 20 5 CDBDHN CN(C)C(=O)C(C)(C)NCCOc1ccccc1[N+](=O)[O-] ZINC000114457530 279338529 /nfs/dbraw/zinc/33/85/29/279338529.db2.gz QDPBXJQUQUWCPC-UHFFFAOYSA-N 0 3 295.339 1.430 20 5 CDBDHN CN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000193878330 280014989 /nfs/dbraw/zinc/01/49/89/280014989.db2.gz OMSNSRBAUKEXSH-UHFFFAOYSA-N 0 3 286.719 1.931 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000212555522 280087037 /nfs/dbraw/zinc/08/70/37/280087037.db2.gz QGQQYLBHHRVPPB-PBWNMSGQSA-N 0 3 289.335 1.817 20 5 CDBDHN Cc1ccnc(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000301246519 281462078 /nfs/dbraw/zinc/46/20/78/281462078.db2.gz ASZHVEFPPBDEEM-LBPRGKRZSA-N 0 3 276.340 1.973 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N(C)C1CC1 ZINC000551117966 290000705 /nfs/dbraw/zinc/00/07/05/290000705.db2.gz AJBLRJAEQCOSTI-VIFPVBQESA-N 0 3 280.328 1.146 20 5 CDBDHN CC(=O)NCCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000582783818 325042472 /nfs/dbraw/zinc/04/24/72/325042472.db2.gz UNNVSHSVGOQOCQ-UHFFFAOYSA-N 0 3 265.313 1.205 20 5 CDBDHN CC(C)[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943205 519796165 /nfs/dbraw/zinc/79/61/65/519796165.db2.gz DYSWVMBOSSQWJC-LLVKDONJSA-N 0 3 251.286 1.194 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000050708064 523815614 /nfs/dbraw/zinc/81/56/14/523815614.db2.gz LLIUQFYZSRQHPS-JTQLQIEISA-N 0 3 292.339 1.249 20 5 CDBDHN Cc1nn(C)c(NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000742425160 576602146 /nfs/dbraw/zinc/60/21/46/576602146.db2.gz LDBMMQSJVOADBC-SECBINFHSA-N 0 3 267.333 1.533 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CCO)c2cccs2)n1 ZINC000754382670 576894162 /nfs/dbraw/zinc/89/41/62/576894162.db2.gz HHQUOIWRBXPQNY-JTQLQIEISA-N 0 3 296.352 1.566 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](CCO)C2)c1 ZINC000750050085 576973610 /nfs/dbraw/zinc/97/36/10/576973610.db2.gz ALANKIOREVJXIE-SWLSCSKDSA-N 0 3 294.351 1.723 20 5 CDBDHN CC(COC(=O)c1cnc(CC2CC2)s1)[N+](=O)[O-] ZINC000893046928 618099306 /nfs/dbraw/zinc/09/93/06/618099306.db2.gz HZVYBDSZMXPVNO-SSDOTTSWSA-N 0 3 270.310 1.918 20 5 CDBDHN CC(COC(=O)c1cc(C(F)(F)F)ccn1)[N+](=O)[O-] ZINC000893048474 618100911 /nfs/dbraw/zinc/10/09/11/618100911.db2.gz WDQUDGBSVJWXRI-LURJTMIESA-N 0 3 278.186 1.922 20 5 CDBDHN COc1c(O)ccc(CNC[C@@H](C)OC)c1[N+](=O)[O-] ZINC000893911537 618169706 /nfs/dbraw/zinc/16/97/06/618169706.db2.gz QQPMQDWZQQHRMM-MRVPVSSYSA-N 0 3 270.285 1.434 20 5 CDBDHN COc1c(O)ccc(CNC[C@H]2CC[C@@H](C)O2)c1[N+](=O)[O-] ZINC000894815950 619072071 /nfs/dbraw/zinc/07/20/71/619072071.db2.gz BUAOGNMFFGQGLH-MWLCHTKSSA-N 0 3 296.323 1.966 20 5 CDBDHN CCN(CC)[C@@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905066841 626614357 /nfs/dbraw/zinc/61/43/57/626614357.db2.gz UENKVEIDLDNEPW-NSHDSACASA-N 0 3 255.318 1.529 20 5 CDBDHN O=[N+]([O-])CCN[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000905280326 626734302 /nfs/dbraw/zinc/73/43/02/626734302.db2.gz NUWHNTLHOJIGOH-NXEZZACHSA-N 0 3 256.327 1.835 20 5 CDBDHN O=[N+]([O-])CCNC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000905376358 626791805 /nfs/dbraw/zinc/79/18/05/626791805.db2.gz TXFGDWOYNJIXAN-QWHCGFSZSA-N 0 3 250.298 1.019 20 5 CDBDHN CC(COC(=O)C[C@@H](C)c1cnn(C)c1)[N+](=O)[O-] ZINC000842363059 682387026 /nfs/dbraw/zinc/38/70/26/682387026.db2.gz WMOZPMYHQKVYJM-RKDXNWHRSA-N 0 3 255.274 1.122 20 5 CDBDHN CC1=CCN(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000828499379 682460655 /nfs/dbraw/zinc/46/06/55/682460655.db2.gz WZFUSKIBZRYUKE-UHFFFAOYSA-N 0 3 283.372 1.590 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000782632862 679743456 /nfs/dbraw/zinc/74/34/56/679743456.db2.gz LXZILBGCRXRJAZ-RISCZKNCSA-N 0 3 278.308 1.288 20 5 CDBDHN C[Si](C)(C)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000839033842 679835186 /nfs/dbraw/zinc/83/51/86/679835186.db2.gz IVASIHSOOYPTGI-UHFFFAOYSA-N 0 3 294.431 1.989 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H]2CO)cc1 ZINC000776581395 681808195 /nfs/dbraw/zinc/80/81/95/681808195.db2.gz DGBMBZPQSGZUPQ-QWHCGFSZSA-N 0 3 266.297 1.085 20 5 CDBDHN Nc1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)cc1[N+](=O)[O-] ZINC000822634057 681197797 /nfs/dbraw/zinc/19/77/97/681197797.db2.gz DBDWEZQASGNEOR-QNSHHTMESA-N 0 3 287.279 1.650 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CCN1 ZINC000856489518 681949924 /nfs/dbraw/zinc/94/99/24/681949924.db2.gz NVJJHJOKMLVEFT-CYBMUJFWSA-N 0 3 295.314 1.804 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000886081079 682015116 /nfs/dbraw/zinc/01/51/16/682015116.db2.gz IPJOHDQHWONLGC-WCQYABFASA-N 0 3 277.324 1.848 20 5 CDBDHN CCO[C@@H]1COC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832455860 682391973 /nfs/dbraw/zinc/39/19/73/682391973.db2.gz QWJUSMCIKWOWCG-MGPQQGTHSA-N 0 3 296.323 1.022 20 5 CDBDHN CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000790452573 682417517 /nfs/dbraw/zinc/41/75/17/682417517.db2.gz QXIFYILETMBJJI-STQMWFEESA-N 0 3 280.324 1.331 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCN1CC[C@H](O)C1 ZINC000858339238 682434597 /nfs/dbraw/zinc/43/45/97/682434597.db2.gz SNUQQDRHRVQWBI-LBPRGKRZSA-N 0 3 299.758 1.404 20 5 CDBDHN CC(COC(=O)c1cccc(NC(=O)C2CC2)c1)[N+](=O)[O-] ZINC000813105143 682660852 /nfs/dbraw/zinc/66/08/52/682660852.db2.gz KBCQYPQCMKXZNH-SECBINFHSA-N 0 3 292.291 1.857 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1COC[C@@H]1C ZINC000932495335 682807487 /nfs/dbraw/zinc/80/74/87/682807487.db2.gz ZYSDBMISLURYAS-GXFFZTMASA-N 0 3 293.323 1.466 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCO[C@@H]1CCOC1 ZINC000927082971 683160932 /nfs/dbraw/zinc/16/09/32/683160932.db2.gz ISLIWMYJRGSEOD-BXUZGUMPSA-N 0 3 292.335 1.977 20 5 CDBDHN CC(COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)[N+](=O)[O-] ZINC000813104747 683257512 /nfs/dbraw/zinc/25/75/12/683257512.db2.gz GQKRPJFXZMKGSF-XVKPBYJWSA-N 0 3 296.254 1.460 20 5 CDBDHN CN1CC(CNc2ccc([N+](=O)[O-])c3c2CCN(C)C3)C1 ZINC001170257950 1162320342 /nfs/dbraw/zinc/32/03/42/1162320342.db2.gz DJKYISSSQQSQAS-UHFFFAOYSA-N 0 3 290.367 1.556 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1NC(C)(C)O[C@H]1C ZINC001578361259 1171885465 /nfs/dbraw/zinc/88/54/65/1171885465.db2.gz HKBLMZIDLINFBC-VHSXEESVSA-N 0 3 297.359 1.645 20 5 CDBDHN C[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCC1 ZINC001591125681 1173575115 /nfs/dbraw/zinc/57/51/15/1173575115.db2.gz JVVYLKHOAWYXHG-UHFFFAOYSA-N 0 3 288.311 1.759 20 5 CDBDHN C[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CCC1 ZINC001591125681 1173575121 /nfs/dbraw/zinc/57/51/21/1173575121.db2.gz JVVYLKHOAWYXHG-UHFFFAOYSA-N 0 3 288.311 1.759 20 5 CDBDHN NCc1nn(-c2cnc([N+](=O)[O-])cn2)c2ccccc12 ZINC001167697728 898578659 /nfs/dbraw/zinc/57/86/59/898578659.db2.gz CXXMWPLPURIFSV-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN CN1CCC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000049099945 900677878 /nfs/dbraw/zinc/67/78/78/900677878.db2.gz KTFHQEGPTPUJFJ-MRVPVSSYSA-N 0 3 281.341 1.810 20 5 CDBDHN NCc1cnnn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904747 912038120 /nfs/dbraw/zinc/03/81/20/912038120.db2.gz AFVUVOOUOHSAIH-LBPRGKRZSA-N 0 3 287.323 1.765 20 5 CDBDHN NCc1ccnn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001162590894 922786008 /nfs/dbraw/zinc/78/60/08/922786008.db2.gz HYCPMBAAZWSQDO-UHFFFAOYSA-N 0 3 273.296 1.513 20 5 CDBDHN Cc1ccn2c(c1)nnc2CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965300 927589289 /nfs/dbraw/zinc/58/92/89/927589289.db2.gz ZEUZDNWWYREJLW-VXGBXAGGSA-N 0 3 289.339 1.573 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3cnccc3C2)C1 ZINC001169008685 927614465 /nfs/dbraw/zinc/61/44/65/927614465.db2.gz TVYNVJXTWSAHLL-SMDDNHRTSA-N 0 3 261.325 1.885 20 5 CDBDHN C[C@@H]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011438 927616283 /nfs/dbraw/zinc/61/62/83/927616283.db2.gz KIFKDNOFAONIQB-WOPDTQHZSA-N 0 3 254.330 1.733 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](n2cnc3c2CNCC3)C1 ZINC001169010702 927617326 /nfs/dbraw/zinc/61/73/26/927617326.db2.gz FQPZSCQAXWEXBE-VHSXEESVSA-N 0 3 250.302 1.147 20 5 CDBDHN CN(Cc1ccncn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169055772 927673323 /nfs/dbraw/zinc/67/33/23/927673323.db2.gz QGESFCKOWWOOJS-CMPLNLGQSA-N 0 3 250.302 1.354 20 5 CDBDHN C[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)n1)[C@H]1CNCCO1 ZINC001159488188 930258423 /nfs/dbraw/zinc/25/84/23/930258423.db2.gz AOVZQPHMWZLEGI-VXNVDRBHSA-N 0 3 286.719 1.432 20 5 CDBDHN NCc1cn(-c2cc([N+](=O)[O-])cc(Cl)n2)cn1 ZINC001154906199 937602442 /nfs/dbraw/zinc/60/24/42/937602442.db2.gz YASBAHOZIAASMJ-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN Cc1nc(N2C[C@H]3[C@H](C2)CCCN3C)ncc1[N+](=O)[O-] ZINC001157283241 938475133 /nfs/dbraw/zinc/47/51/33/938475133.db2.gz TVSDMFGHMOOIET-JQWIXIFHSA-N 0 3 277.328 1.224 20 5 CDBDHN CCOc1nc(-n2ccc([C@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001158350566 938613262 /nfs/dbraw/zinc/61/32/62/938613262.db2.gz MDEYQKBQBIFWER-QMMMGPOBSA-N 0 3 277.284 1.594 20 5 CDBDHN CCOc1nc(N[C@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159498234 938734092 /nfs/dbraw/zinc/73/40/92/938734092.db2.gz KXRFHRCPPYDSHA-MWLCHTKSSA-N 0 3 296.327 1.177 20 5 CDBDHN COc1cc(-n2nccc2CN)cc([N+](=O)[O-])c1C ZINC001162598140 939099588 /nfs/dbraw/zinc/09/95/88/939099588.db2.gz PRFGMUGUDVDVLW-UHFFFAOYSA-N 0 3 262.269 1.556 20 5 CDBDHN C[C@@H](N)c1nc2ccccc2n1-c1nccc(N)c1[N+](=O)[O-] ZINC001162763137 939135452 /nfs/dbraw/zinc/13/54/52/939135452.db2.gz NHDTXMDZVCLUOK-MRVPVSSYSA-N 0 3 298.306 1.931 20 5 CDBDHN Cc1nc(NC[C@@H]2Cc3ccccc3CN2)ncc1[N+](=O)[O-] ZINC001163275366 939237822 /nfs/dbraw/zinc/23/78/22/939237822.db2.gz BGLBHPFERSMRLE-ZDUSSCGKSA-N 0 3 299.334 1.820 20 5 CDBDHN CN(C)C1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001163940055 939358334 /nfs/dbraw/zinc/35/83/34/939358334.db2.gz ALVQWPXHHPZQPA-UHFFFAOYSA-N 0 3 261.285 1.221 20 5 CDBDHN Cc1nc(-n2cnc3c2CNCC3)ccc1[N+](=O)[O-] ZINC001164310385 939451311 /nfs/dbraw/zinc/45/13/11/939451311.db2.gz QCSGWMJQFLCNEJ-UHFFFAOYSA-N 0 3 259.269 1.130 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cc(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001165269232 939537555 /nfs/dbraw/zinc/53/75/55/939537555.db2.gz HJWIFMPETPEECO-UWVGGRQHSA-N 0 3 298.730 1.210 20 5 CDBDHN Cc1cnc(OC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001227234530 942154307 /nfs/dbraw/zinc/15/43/07/942154307.db2.gz GPKFRRXHZNRPBL-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN CN1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229484169 942480147 /nfs/dbraw/zinc/48/01/47/942480147.db2.gz HFTNZBXJFZMMJF-SECBINFHSA-N 0 3 263.253 1.819 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCNC1=O ZINC001254532269 947508551 /nfs/dbraw/zinc/50/85/51/947508551.db2.gz MMCQEBKRJVVXTI-MWLCHTKSSA-N 0 3 263.297 1.004 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H](CO)c1ccncc1)C2 ZINC001254580567 947537462 /nfs/dbraw/zinc/53/74/62/947537462.db2.gz GNNAVAUMYNWPEM-GOEBONIOSA-N 0 3 299.330 1.780 20 5 CDBDHN Cc1noc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n1 ZINC001344446929 964312876 /nfs/dbraw/zinc/31/28/76/964312876.db2.gz FKHPSMCDWKMQBY-QMMMGPOBSA-N 0 3 291.263 1.867 20 5 CDBDHN Cc1cc(NC(=O)[C@H]2CCCCN2)cc([N+](=O)[O-])c1 ZINC001346504751 965146612 /nfs/dbraw/zinc/14/66/12/965146612.db2.gz KVTRRYXQRDTEEY-GFCCVEGCSA-N 0 3 263.297 1.984 20 5 CDBDHN CC(C)OCC[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC001353241572 967814387 /nfs/dbraw/zinc/81/43/87/967814387.db2.gz SIJSCEVDNQTMPB-ZDUSSCGKSA-N 0 3 282.340 1.860 20 5 CDBDHN CCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001133406629 1163688510 /nfs/dbraw/zinc/68/85/10/1163688510.db2.gz IEBXVZDLMUGBFT-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN COCCOC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000234900778 342047640 /nfs/dbraw/zinc/04/76/40/342047640.db2.gz YKKHIZZJTQDWOF-CYBMUJFWSA-N 0 3 298.339 1.017 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC[C@H]1CCCN1CCCO ZINC000590708000 342585206 /nfs/dbraw/zinc/58/52/06/342585206.db2.gz DHIBIRQHRYOWLB-LLVKDONJSA-N 0 3 280.328 1.249 20 5 CDBDHN CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCN(C)C1 ZINC000592459966 342694165 /nfs/dbraw/zinc/69/41/65/342694165.db2.gz ROZSKNKMXLNIGY-LLVKDONJSA-N 0 3 294.355 1.490 20 5 CDBDHN CC1(C)CNCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000592473388 342698426 /nfs/dbraw/zinc/69/84/26/342698426.db2.gz BRCPIYUATVRNTR-UHFFFAOYSA-N 0 3 292.339 1.217 20 5 CDBDHN COCCCN(C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000150910651 362002042 /nfs/dbraw/zinc/00/20/42/362002042.db2.gz MMAVHHRQWXFVCF-UHFFFAOYSA-N 0 3 282.344 1.678 20 5 CDBDHN C[C@H](CO)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594501980 342914417 /nfs/dbraw/zinc/91/44/17/342914417.db2.gz ACGHQCOXOWXLFQ-CABZTGNLSA-N 0 3 250.298 1.800 20 5 CDBDHN Cc1noc(CN2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000595305694 343031017 /nfs/dbraw/zinc/03/10/17/343031017.db2.gz JBTXFKIMMNOKTK-UHFFFAOYSA-N 0 3 282.344 1.807 20 5 CDBDHN CC[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCCC1 ZINC000076268107 342320388 /nfs/dbraw/zinc/32/03/88/342320388.db2.gz PBYMNZLFHHZCIF-SECBINFHSA-N 0 3 280.332 1.253 20 5 CDBDHN CC(C)NCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595926743 343183531 /nfs/dbraw/zinc/18/35/31/343183531.db2.gz QOYQTTCHHVURJP-UHFFFAOYSA-N 0 3 277.284 1.408 20 5 CDBDHN CC[C@H](NC)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595925351 343193318 /nfs/dbraw/zinc/19/33/18/343193318.db2.gz ZPRNWPWQMRXFNZ-JTQLQIEISA-N 0 3 251.286 1.840 20 5 CDBDHN CC[N@@H+]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596097547 343235377 /nfs/dbraw/zinc/23/53/77/343235377.db2.gz ZAMRRFOUTFBZDU-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN CC[N@H+]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596097547 343235380 /nfs/dbraw/zinc/23/53/80/343235380.db2.gz ZAMRRFOUTFBZDU-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN Cc1nn(C)c(N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000368305729 282272518 /nfs/dbraw/zinc/27/25/18/282272518.db2.gz ZFBIJPUMCGLTFN-ZDUSSCGKSA-N 0 3 279.344 1.169 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000598342239 343771087 /nfs/dbraw/zinc/77/10/87/343771087.db2.gz LBHGKHBMUVBFCN-SNVBAGLBSA-N 0 3 283.353 1.870 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000601972074 344300570 /nfs/dbraw/zinc/30/05/70/344300570.db2.gz HBNRDMFWYYCMKZ-TXEJJXNPSA-N 0 3 278.308 1.682 20 5 CDBDHN CCN[C@@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602457572 344437693 /nfs/dbraw/zinc/43/76/93/344437693.db2.gz GWGVRHYSCJCEOQ-JTQLQIEISA-N 0 3 265.313 1.252 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)CC1(C)C ZINC000602795894 344586670 /nfs/dbraw/zinc/58/66/70/344586670.db2.gz CDGQXCPUBGYMMS-UHFFFAOYSA-N 0 3 281.360 1.126 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1[C@H](C)CC[C@H]1C ZINC000602786233 344599184 /nfs/dbraw/zinc/59/91/84/344599184.db2.gz DRWPUSOIRZGGSW-NXEZZACHSA-N 0 3 252.318 1.973 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@]2(CCOC2)C1 ZINC000602787124 344599640 /nfs/dbraw/zinc/59/96/40/344599640.db2.gz IJXHJZIGVPLQSY-ZDUSSCGKSA-N 0 3 280.328 1.212 20 5 CDBDHN CSC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000602920930 344650377 /nfs/dbraw/zinc/65/03/77/344650377.db2.gz RXBUWYBKCBOVOG-UHFFFAOYSA-N 0 3 270.358 1.619 20 5 CDBDHN CC[C@]1(O)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000602981599 344674025 /nfs/dbraw/zinc/67/40/25/344674025.db2.gz GOLMJJDOJPZFJJ-LBPRGKRZSA-N 0 3 268.317 1.028 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CSCCN2)c(F)c1 ZINC000603421016 344799874 /nfs/dbraw/zinc/79/98/74/344799874.db2.gz XEFGGCUXFNSYLV-ZETCQYMHSA-N 0 3 272.305 1.246 20 5 CDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000270784173 190812984 /nfs/dbraw/zinc/81/29/84/190812984.db2.gz PTOCVRRVQZJMIE-JTQLQIEISA-N 0 3 293.327 1.018 20 5 CDBDHN C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000054375094 347821395 /nfs/dbraw/zinc/82/13/95/347821395.db2.gz ONCSBVMOJCZIIB-SNVBAGLBSA-N 0 3 272.308 1.941 20 5 CDBDHN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000273449367 192154313 /nfs/dbraw/zinc/15/43/13/192154313.db2.gz OJFCCHJCHLIOOJ-JTQLQIEISA-N 0 3 298.364 1.757 20 5 CDBDHN COc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000129899579 187459349 /nfs/dbraw/zinc/45/93/49/187459349.db2.gz NBIZSVORSSCZPT-VHSXEESVSA-N 0 3 293.323 1.426 20 5 CDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000153987021 188116623 /nfs/dbraw/zinc/11/66/23/188116623.db2.gz MKXXAIFHWLHNAS-AWEZNQCLSA-N 0 3 291.351 1.690 20 5 CDBDHN CNC(=O)CCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154926501 188170647 /nfs/dbraw/zinc/17/06/47/188170647.db2.gz JOYSTRKYUJLFDA-CYBMUJFWSA-N 0 3 295.339 1.086 20 5 CDBDHN C[C@@H](N[C@@H](C)CN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000036933007 363292743 /nfs/dbraw/zinc/29/27/43/363292743.db2.gz IJEFIICDPMQJNU-QWHCGFSZSA-N 0 3 293.367 1.966 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H]2CCO)c1 ZINC000336788755 356262270 /nfs/dbraw/zinc/26/22/70/356262270.db2.gz QRMPVUZJGRVEMZ-LBPRGKRZSA-N 0 3 250.298 1.942 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000106379909 357242218 /nfs/dbraw/zinc/24/22/18/357242218.db2.gz NQIDTVLTRJBLSS-OAHLLOKOSA-N 0 3 291.351 1.548 20 5 CDBDHN COCCCN(CCO)Cc1cccc([N+](=O)[O-])c1C ZINC000189882791 358043740 /nfs/dbraw/zinc/04/37/40/358043740.db2.gz BPYWOHYBVPOZBY-UHFFFAOYSA-N 0 3 282.340 1.734 20 5 CDBDHN Cc1c(CN2CC[C@@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000361558434 358319833 /nfs/dbraw/zinc/31/98/33/358319833.db2.gz WVAFGFSPLMTDQU-CQSZACIVSA-N 0 3 277.324 1.601 20 5 CDBDHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000287227249 358342681 /nfs/dbraw/zinc/34/26/81/358342681.db2.gz PCTDFRYWDWPFMD-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000267048108 283382368 /nfs/dbraw/zinc/38/23/68/283382368.db2.gz FNAHROGCHPOXCJ-QWRGUYRKSA-N 0 3 279.340 1.970 20 5 CDBDHN COCC[C@@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123906 358630756 /nfs/dbraw/zinc/63/07/56/358630756.db2.gz VFFMKBSZMZQUOA-GWCFXTLKSA-N 0 3 280.324 1.569 20 5 CDBDHN CN(C[C@H](O)COc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000290833353 358663490 /nfs/dbraw/zinc/66/34/90/358663490.db2.gz UVPHGJLBPBRXLW-LBPRGKRZSA-N 0 3 284.287 1.568 20 5 CDBDHN COc1cc(C[NH2+]CCC(C)(C)CO)c([N+](=O)[O-])cc1[O-] ZINC000294936619 199259523 /nfs/dbraw/zinc/25/95/23/199259523.db2.gz ZXXRAGUCVYKKTA-UHFFFAOYSA-N 0 3 298.339 1.807 20 5 CDBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251665582 140312016 /nfs/dbraw/zinc/31/20/16/140312016.db2.gz LFYIAAIWSLTZDK-SMDDNHRTSA-N 0 3 264.325 1.840 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSC1 ZINC000120037446 359068784 /nfs/dbraw/zinc/06/87/84/359068784.db2.gz FNFXCEBROWDIGL-SECBINFHSA-N 0 3 256.331 1.229 20 5 CDBDHN Cc1nc(N(C)[C@H]2CCN(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297359051 200161711 /nfs/dbraw/zinc/16/17/11/200161711.db2.gz BWFBKXVUNCMXPN-KOLCDFICSA-N 0 3 279.344 1.470 20 5 CDBDHN CN1CC[C@](O)(CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000358297690 360936747 /nfs/dbraw/zinc/93/67/47/360936747.db2.gz FSYGKTUKZXBEQS-NSHDSACASA-N 0 3 286.719 1.122 20 5 CDBDHN COc1ccc(CN[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000168893396 361560521 /nfs/dbraw/zinc/56/05/21/361560521.db2.gz LOBHNGLNLCNPBF-JTQLQIEISA-N 0 3 267.329 1.643 20 5 CDBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000580339854 363902722 /nfs/dbraw/zinc/90/27/22/363902722.db2.gz JHEJEOXKIWTYCD-MNOVXSKESA-N 0 3 264.329 1.909 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000345816259 364022894 /nfs/dbraw/zinc/02/28/94/364022894.db2.gz KNVTYTGILMFGBR-CHWSQXEVSA-N 0 3 277.324 1.599 20 5 CDBDHN Cc1c(CN[C@@H]2CCCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000231884878 364998065 /nfs/dbraw/zinc/99/80/65/364998065.db2.gz PQRNEGIMCYNTGC-GFCCVEGCSA-N 0 3 277.324 1.662 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000110490119 365051176 /nfs/dbraw/zinc/05/11/76/365051176.db2.gz LBJPOVMQVYBFOY-GHMZBOCLSA-N 0 3 278.312 1.265 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000564172745 365383177 /nfs/dbraw/zinc/38/31/77/365383177.db2.gz GZJSSYQNKGVJOR-LLVKDONJSA-N 0 3 294.355 1.488 20 5 CDBDHN Cc1c(NC(=O)NC[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000414696431 241332683 /nfs/dbraw/zinc/33/26/83/241332683.db2.gz HNUQHQLXOWOLBD-JTQLQIEISA-N 0 3 294.311 1.013 20 5 CDBDHN C[C@H](O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634748 367785901 /nfs/dbraw/zinc/78/59/01/367785901.db2.gz WTSZOZJRJNGILX-NWDGAFQWSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@]1(CO)CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000546810745 367949947 /nfs/dbraw/zinc/94/99/47/367949947.db2.gz LDYXAMSGFYWIJO-AWEZNQCLSA-N 0 3 280.324 1.820 20 5 CDBDHN C[C@]1(F)CNCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420335069 244102501 /nfs/dbraw/zinc/10/25/01/244102501.db2.gz OYIQZQGYCPHXSC-AWEZNQCLSA-N 0 3 297.330 1.607 20 5 CDBDHN COc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000129899142 370125891 /nfs/dbraw/zinc/12/58/91/370125891.db2.gz NBIZSVORSSCZPT-NXEZZACHSA-N 0 3 293.323 1.426 20 5 CDBDHN COc1ccc(NC(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000272858656 371483279 /nfs/dbraw/zinc/48/32/79/371483279.db2.gz RQNRVSKFFGJLPH-UHFFFAOYSA-N 0 3 296.327 1.629 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000269652068 373370380 /nfs/dbraw/zinc/37/03/80/373370380.db2.gz HZNYCYXXEZXDTP-RNCFNFMXSA-N 0 3 295.339 1.593 20 5 CDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CCO ZINC000449536968 374820593 /nfs/dbraw/zinc/82/05/93/374820593.db2.gz FRIUHVKYAKLWQS-BETUJISGSA-N 0 3 293.367 1.482 20 5 CDBDHN COC(=O)C(C)(C)CNCc1ccccc1[N+](=O)[O-] ZINC000093716316 374779473 /nfs/dbraw/zinc/77/94/73/374779473.db2.gz ZGGXYBDYGQVDNX-UHFFFAOYSA-N 0 3 266.297 1.884 20 5 CDBDHN C[C@@H](O)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000131166798 375179478 /nfs/dbraw/zinc/17/94/78/375179478.db2.gz PDXGAWUDYZWYOF-SNVBAGLBSA-N 0 3 254.286 1.286 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000049096580 375401494 /nfs/dbraw/zinc/40/14/94/375401494.db2.gz MWFMIUHOKZMFDR-SNVBAGLBSA-N 0 3 263.297 1.419 20 5 CDBDHN Cc1ccc(CNC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000227214400 375468015 /nfs/dbraw/zinc/46/80/15/375468015.db2.gz DXEUXRJDEUFXQU-UHFFFAOYSA-N 0 3 280.324 1.534 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCOCCO ZINC000344864443 375621323 /nfs/dbraw/zinc/62/13/23/375621323.db2.gz PXVGAEBDFOWIDJ-FMIVXFBMSA-N 0 3 280.324 1.597 20 5 CDBDHN CC(COC(=O)CCCNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000495907228 375691785 /nfs/dbraw/zinc/69/17/85/375691785.db2.gz XSSAAYWWTPDVPI-SECBINFHSA-N 0 3 290.316 1.500 20 5 CDBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CCCN1C ZINC000354558234 375725552 /nfs/dbraw/zinc/72/55/52/375725552.db2.gz ASFWUQQBEMYNRY-WCBMZHEXSA-N 0 3 251.290 1.279 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)CC(F)F)c1 ZINC000428639208 247339586 /nfs/dbraw/zinc/33/95/86/247339586.db2.gz HQGATNDYIPXKGB-VIFPVBQESA-N 0 3 260.240 1.701 20 5 CDBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1 ZINC000263678623 190073107 /nfs/dbraw/zinc/07/31/07/190073107.db2.gz DWXDSPICTWFVDG-UHFFFAOYSA-N 0 3 266.301 1.137 20 5 CDBDHN COc1ccc(CNC[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433195331 248006542 /nfs/dbraw/zinc/00/65/42/248006542.db2.gz UBQBVMUTHFNPDN-NSHDSACASA-N 0 3 293.323 1.362 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CNCC[C@H]3CCOC3)nc2c1 ZINC000446845734 250319038 /nfs/dbraw/zinc/31/90/38/250319038.db2.gz QHBCOIOYFDUURQ-JTQLQIEISA-N 0 3 290.323 1.987 20 5 CDBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])c2nonc21 ZINC000267042239 190298773 /nfs/dbraw/zinc/29/87/73/190298773.db2.gz MSZLHPAVPJJLOE-UHFFFAOYSA-N 0 3 265.273 1.129 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN1C1CC1 ZINC000268038919 190371565 /nfs/dbraw/zinc/37/15/65/190371565.db2.gz XLRAUOMKXQLNCF-BDAKNGLRSA-N 0 3 278.312 1.278 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204357 190385522 /nfs/dbraw/zinc/38/55/22/190385522.db2.gz JLDXIYSPELGGQX-KWQFWETISA-N 0 3 295.364 1.869 20 5 CDBDHN CC[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449770635 251009156 /nfs/dbraw/zinc/00/91/56/251009156.db2.gz GBRTXEUUDYNBDC-WAFBPQNNSA-N 0 3 277.324 1.722 20 5 CDBDHN CN(C)C/C=C\C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000492114139 253158252 /nfs/dbraw/zinc/15/82/52/253158252.db2.gz ZAFRWUBOXFQRKZ-ARJAWSKDSA-N 0 3 289.335 1.597 20 5 CDBDHN CN(C)C/C=C/C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000492267207 253186877 /nfs/dbraw/zinc/18/68/77/253186877.db2.gz DGNRDAWUUIEMQC-QPJJXVBHSA-N 0 3 289.335 1.597 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC3(CC2)OCCO3)cc1 ZINC000059402610 285110480 /nfs/dbraw/zinc/11/04/80/285110480.db2.gz ODXJLHSWWGADBE-UHFFFAOYSA-N 0 3 292.335 1.976 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492799169 253297154 /nfs/dbraw/zinc/29/71/54/253297154.db2.gz MBCFMFRBSUFCQE-BXKUYDPTSA-N 0 3 295.314 1.813 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCN1CCCC1=O ZINC000282512955 195632067 /nfs/dbraw/zinc/63/20/67/195632067.db2.gz SFUPZVMQIGKJCZ-UHFFFAOYSA-N 0 3 291.351 1.692 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)N[C@@H](C)C1 ZINC000053712698 391154515 /nfs/dbraw/zinc/15/45/15/391154515.db2.gz ZCKNSAZUXWGFSZ-AOOOYVTPSA-N 0 3 250.302 1.485 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](c3ccncc3)C2)c1 ZINC000519603179 391739739 /nfs/dbraw/zinc/73/97/39/391739739.db2.gz HQRDUABZYACOII-CYBMUJFWSA-N 0 3 287.323 1.676 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000524721026 392919663 /nfs/dbraw/zinc/91/96/63/392919663.db2.gz ZIMBJJHYLYPATA-SNVBAGLBSA-N 0 3 280.328 1.005 20 5 CDBDHN CC(C)NC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058753 393129328 /nfs/dbraw/zinc/12/93/28/393129328.db2.gz LTIKFYCWCRGGNY-NSHDSACASA-N 0 3 279.340 1.640 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000449667577 393137461 /nfs/dbraw/zinc/13/74/61/393137461.db2.gz VELOGKLSKOLSTF-LLVKDONJSA-N 0 3 299.277 1.630 20 5 CDBDHN Cc1cc(C(=O)N[C@@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000449667555 393137625 /nfs/dbraw/zinc/13/76/25/393137625.db2.gz VDNSVFWXUCOZRJ-LLVKDONJSA-N 0 3 299.277 1.630 20 5 CDBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCO1 ZINC000090522585 393308695 /nfs/dbraw/zinc/30/86/95/393308695.db2.gz IOPRIKBJDCOISP-CYBMUJFWSA-N 0 3 295.339 1.257 20 5 CDBDHN CCO[C@H]1C[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176260378 148032996 /nfs/dbraw/zinc/03/29/96/148032996.db2.gz LZCPUQRYSKYVIV-RYUDHWBXSA-N 0 3 296.371 1.927 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H]1CCO ZINC000310636918 149196389 /nfs/dbraw/zinc/19/63/89/149196389.db2.gz RDZGJZLPNUYOMR-LBPRGKRZSA-N 0 3 250.298 1.942 20 5 CDBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCCN1C ZINC000343483239 152197255 /nfs/dbraw/zinc/19/72/55/152197255.db2.gz UYXQDGMRVAPAGO-ONGXEEELSA-N 0 3 250.302 1.884 20 5 CDBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000361864775 159003321 /nfs/dbraw/zinc/00/33/21/159003321.db2.gz FDIKVKGRJUEPFW-UHFFFAOYSA-N 0 3 283.353 1.823 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000346234946 298497984 /nfs/dbraw/zinc/49/79/84/298497984.db2.gz WVQAMMXJQICMCK-SNVBAGLBSA-N 0 3 297.380 1.753 20 5 CDBDHN COC[C@@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000071269953 176103405 /nfs/dbraw/zinc/10/34/05/176103405.db2.gz YQBMNTJCYIVNLL-NSHDSACASA-N 0 3 254.286 1.000 20 5 CDBDHN C[S@@](=O)C1(CNCc2ccccc2[N+](=O)[O-])CCC1 ZINC000393704001 270338380 /nfs/dbraw/zinc/33/83/80/270338380.db2.gz LZWQRMDRNKQKSX-LJQANCHMSA-N 0 3 282.365 1.986 20 5 CDBDHN CC1(C)[C@@H](O)C[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000514795737 270410441 /nfs/dbraw/zinc/41/04/41/270410441.db2.gz CXCBOLVMPRDZGU-STQMWFEESA-N 0 3 280.324 1.723 20 5 CDBDHN CC1(C)C[C@H](NCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279089962 275867717 /nfs/dbraw/zinc/86/77/17/275867717.db2.gz NHDJODHSXQUBNS-LBPRGKRZSA-N 0 3 250.298 1.899 20 5 CDBDHN CC[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000089306548 276406604 /nfs/dbraw/zinc/40/66/04/276406604.db2.gz ZTPWFCUPKLRINW-ZDUSSCGKSA-N 0 3 279.340 1.594 20 5 CDBDHN CN(C)CCN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000530618124 281560071 /nfs/dbraw/zinc/56/00/71/281560071.db2.gz HOQMSYGLVKZXFF-UHFFFAOYSA-N 0 3 291.311 1.241 20 5 CDBDHN CCN(C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255848187 289387856 /nfs/dbraw/zinc/38/78/56/289387856.db2.gz VUHIGJNVCNHOTC-FPLPWBNLSA-N 0 3 277.324 1.676 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000408364158 303020603 /nfs/dbraw/zinc/02/06/03/303020603.db2.gz HTFFTRCNDBBWPO-QWRGUYRKSA-N 0 3 279.344 1.249 20 5 CDBDHN COC[C@@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000382579789 323648830 /nfs/dbraw/zinc/64/88/30/323648830.db2.gz XGBOCNNWLOYVFO-MFKMUULPSA-N 0 3 268.313 1.643 20 5 CDBDHN Cc1ccc(CNCCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000035009723 524577552 /nfs/dbraw/zinc/57/75/52/524577552.db2.gz UIKJHDOTIBIZRH-UHFFFAOYSA-N 0 3 279.340 1.765 20 5 CDBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000337295330 524587241 /nfs/dbraw/zinc/58/72/41/524587241.db2.gz AIVJHYFDDISTLA-GXFFZTMASA-N 0 3 293.323 1.236 20 5 CDBDHN C[C@H](NC[C@@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340411039 525395245 /nfs/dbraw/zinc/39/52/45/525395245.db2.gz CBASWHAWTSCVOH-BPNCWPANSA-N 0 3 280.324 1.785 20 5 CDBDHN Cc1cc(F)cc(C(=O)NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000758413498 577106734 /nfs/dbraw/zinc/10/67/34/577106734.db2.gz ZSWSVIWPCHQVCM-VIFPVBQESA-N 0 3 283.303 1.722 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H]2CO)cc1 ZINC000934015954 617853251 /nfs/dbraw/zinc/85/32/51/617853251.db2.gz QIQMVZVGJZRNJM-GFCCVEGCSA-N 0 3 266.297 1.430 20 5 CDBDHN CC(C)NC(=O)NCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178782 617972900 /nfs/dbraw/zinc/97/29/00/617972900.db2.gz TYBKPGGSLSRFES-LLVKDONJSA-N 0 3 294.355 1.953 20 5 CDBDHN CC(COC(=O)[C@@]1(C)OCCc2ccccc21)[N+](=O)[O-] ZINC000893046620 618098009 /nfs/dbraw/zinc/09/80/09/618098009.db2.gz DKLWTKRRORZZCC-HZMBPMFUSA-N 0 3 279.292 1.683 20 5 CDBDHN CN1C[C@H]2[C@@H](CCN2c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000893941178 618204722 /nfs/dbraw/zinc/20/47/22/618204722.db2.gz RNICULWTRHKXQU-ZANVPECISA-N 0 3 265.288 1.874 20 5 CDBDHN O=[N+]([O-])CCNCC1(c2ccc(F)cc2F)CC1 ZINC000905188745 626668060 /nfs/dbraw/zinc/66/80/60/626668060.db2.gz GEHNVOCLVNQIDI-UHFFFAOYSA-N 0 3 256.252 1.863 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](O)c2ccco2)cc1 ZINC000914795467 631573739 /nfs/dbraw/zinc/57/37/39/631573739.db2.gz MXJPXRAPQDYBJR-CHWSQXEVSA-N 0 3 292.291 1.544 20 5 CDBDHN Cc1c(CNCCO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000724911218 685295397 /nfs/dbraw/zinc/29/53/97/685295397.db2.gz PKFXNNPRJORDFM-CYBMUJFWSA-N 0 3 280.324 1.798 20 5 CDBDHN N[C@H](CC1CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000083458660 685329867 /nfs/dbraw/zinc/32/98/67/685329867.db2.gz LTWTYNZQMDPKAE-GFCCVEGCSA-N 0 3 263.297 1.338 20 5 CDBDHN C[C@@H](N)c1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000881277723 685369672 /nfs/dbraw/zinc/36/96/72/685369672.db2.gz KCZMTHIDLMTKHP-RKDXNWHRSA-N 0 3 261.285 1.815 20 5 CDBDHN CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000782577344 685449940 /nfs/dbraw/zinc/44/99/40/685449940.db2.gz AVQITMPKROCQMQ-KGLIPLIRSA-N 0 3 294.351 1.721 20 5 CDBDHN C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572503 684376741 /nfs/dbraw/zinc/37/67/41/684376741.db2.gz FIQMDIZJOCFEST-WPRPVWTQSA-N 0 3 278.312 1.058 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](CF)C1 ZINC000880301102 684386436 /nfs/dbraw/zinc/38/64/36/684386436.db2.gz MDLHHBPXELGXEK-JTQLQIEISA-N 0 3 256.281 1.391 20 5 CDBDHN CC(COC(=O)c1cnc(-c2ccccc2)nc1)[N+](=O)[O-] ZINC000813104511 684818059 /nfs/dbraw/zinc/81/80/59/684818059.db2.gz NMSSBBHFZYHNBO-JTQLQIEISA-N 0 3 287.275 1.966 20 5 CDBDHN CC(COC(=O)[C@@H]1CC12CCSCC2)[N+](=O)[O-] ZINC000835456196 685143777 /nfs/dbraw/zinc/14/37/77/685143777.db2.gz SVQSAKUGIJUECL-BDAKNGLRSA-N 0 3 259.327 1.728 20 5 CDBDHN Cc1ccccc1-n1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000842363957 686183033 /nfs/dbraw/zinc/18/30/33/686183033.db2.gz PQYUTOGSYCJBJK-SNVBAGLBSA-N 0 3 290.279 1.398 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1-c1ccccc1)[N+](=O)[O-] ZINC000813104244 686394571 /nfs/dbraw/zinc/39/45/71/686394571.db2.gz KSXWLEMAWVTRKT-JTQLQIEISA-N 0 3 289.291 1.909 20 5 CDBDHN CC(COC(=O)c1ccc(-n2ccnc2)nc1)[N+](=O)[O-] ZINC000813113503 686696595 /nfs/dbraw/zinc/69/65/95/686696595.db2.gz RCCNQOYFIRBHKW-SECBINFHSA-N 0 3 276.252 1.089 20 5 CDBDHN CCOC(=O)CCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859428 686812662 /nfs/dbraw/zinc/81/26/62/686812662.db2.gz SNRZZHYPNFAMAD-ZDUSSCGKSA-N 0 3 296.323 1.513 20 5 CDBDHN CC(COC(=O)c1ccnc(-n2ccnc2)c1)[N+](=O)[O-] ZINC000813106736 686974559 /nfs/dbraw/zinc/97/45/59/686974559.db2.gz GKXOOGOPFKKDMN-SECBINFHSA-N 0 3 276.252 1.089 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](CF)C1 ZINC000880301103 687329883 /nfs/dbraw/zinc/32/98/83/687329883.db2.gz MDLHHBPXELGXEK-SNVBAGLBSA-N 0 3 256.281 1.391 20 5 CDBDHN CN1CCC[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000139761295 687996341 /nfs/dbraw/zinc/99/63/41/687996341.db2.gz DQGKYUDOGYEGCA-GFCCVEGCSA-N 0 3 294.380 1.975 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(C)C2)c1 ZINC000136299279 1175828698 /nfs/dbraw/zinc/82/86/98/1175828698.db2.gz CCSFWAYLFCXBHR-JTQLQIEISA-N 0 3 279.296 1.497 20 5 CDBDHN CC(COC(=O)c1cnn(C)c1-c1ccccc1)[N+](=O)[O-] ZINC000813109884 1163815323 /nfs/dbraw/zinc/81/53/23/1163815323.db2.gz XGBAFXDDWQYTAR-JTQLQIEISA-N 0 3 289.291 1.909 20 5 CDBDHN COc1ccc2c(c1)C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CO2 ZINC000813110195 1163815483 /nfs/dbraw/zinc/81/54/83/1163815483.db2.gz UPXVIIRABXFJGO-GXSJLCMTSA-N 0 3 295.291 1.455 20 5 CDBDHN C[C@@H](N)c1ccn(-c2cnc(F)c([N+](=O)[O-])c2)n1 ZINC001169235405 927816092 /nfs/dbraw/zinc/81/60/92/927816092.db2.gz VTCGGVPQOQTWNC-ZCFIWIBFSA-N 0 3 251.221 1.334 20 5 CDBDHN CC(COC(=O)C[C@@H]1CC(=O)Nc2ccccc21)[N+](=O)[O-] ZINC001123042984 936107210 /nfs/dbraw/zinc/10/72/10/936107210.db2.gz UXJLNDBFSCTNGI-ZJUUUORDSA-N 0 3 292.291 1.711 20 5 CDBDHN COc1nc(N2C[C@@H]3CCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157263002 938471255 /nfs/dbraw/zinc/47/12/55/938471255.db2.gz ZVDLXEWSAIYETP-CMPLNLGQSA-N 0 3 292.339 1.529 20 5 CDBDHN C[C@@H](Nc1cc([N+](=O)[O-])c2cc[nH]c2n1)[C@H]1CNCCO1 ZINC001159496747 938733313 /nfs/dbraw/zinc/73/33/13/938733313.db2.gz FLUKAMYZFUWCLT-LDYMZIIASA-N 0 3 291.311 1.260 20 5 CDBDHN CN1CCC[C@](C)(Nc2ncc([N+](=O)[O-])cc2N)C1 ZINC001162336600 939027394 /nfs/dbraw/zinc/02/73/94/939027394.db2.gz FHFMQWNPSGQCGE-LBPRGKRZSA-N 0 3 265.317 1.468 20 5 CDBDHN C[C@H](N)c1nc2ccccc2n1-c1nccc(N)c1[N+](=O)[O-] ZINC001162763141 939135481 /nfs/dbraw/zinc/13/54/81/939135481.db2.gz NHDTXMDZVCLUOK-QMMMGPOBSA-N 0 3 298.306 1.931 20 5 CDBDHN O=C(CNc1cc2c(cc1[N+](=O)[O-])CNC2)N1CCCC1 ZINC001164579818 939495760 /nfs/dbraw/zinc/49/57/60/939495760.db2.gz FKRHUZQZPKSQKO-UHFFFAOYSA-N 0 3 290.323 1.232 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599163 942033002 /nfs/dbraw/zinc/03/30/02/942033002.db2.gz JYSRQRNCOXQMEO-JTQLQIEISA-O 0 3 278.328 1.972 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230792226 942698129 /nfs/dbraw/zinc/69/81/29/942698129.db2.gz MMUWXRVWRHAKAQ-QMMMGPOBSA-O 0 3 270.378 1.304 20 5 CDBDHN CC(C)NC(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571789 947531654 /nfs/dbraw/zinc/53/16/54/947531654.db2.gz BUYDOVFTKUYMBR-GFCCVEGCSA-N 0 3 277.324 1.176 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1ccncn1)C2 ZINC001254581461 947538092 /nfs/dbraw/zinc/53/80/92/947538092.db2.gz LCEAJIHECLFTHZ-ZDUSSCGKSA-N 0 3 270.292 1.642 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2cccn2C2CC2)c1 ZINC001326429707 954377748 /nfs/dbraw/zinc/37/77/48/954377748.db2.gz JKMCVLXUXHJOFF-UHFFFAOYSA-N 0 3 275.312 1.718 20 5 CDBDHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272772 956076004 /nfs/dbraw/zinc/07/60/04/956076004.db2.gz DTGHULHSUXBTKX-VXGBXAGGSA-N 0 3 278.312 1.232 20 5 CDBDHN CO[C@@H](C)[C@H](C)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308930907 956600608 /nfs/dbraw/zinc/60/06/08/956600608.db2.gz MSVVPJMRZLWBKG-DUBDDPSESA-N 0 3 298.339 1.002 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]CC2(C)COC2)c1[N+](=O)[O-] ZINC001334957704 959487577 /nfs/dbraw/zinc/48/75/77/959487577.db2.gz XZDZRAQLFCCKSG-UHFFFAOYSA-N 0 3 282.296 1.435 20 5 CDBDHN CC(C)(C)OC(=O)NC1(CNCC[N+](=O)[O-])CCCC1 ZINC001356586339 969438568 /nfs/dbraw/zinc/43/85/68/969438568.db2.gz REGVCFHEYBETOV-UHFFFAOYSA-N 0 3 287.360 1.690 20 5 CDBDHN CN1CCCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001514830776 976360363 /nfs/dbraw/zinc/36/03/63/976360363.db2.gz SSLBLMJYNBYLNC-CYBMUJFWSA-N 0 3 291.351 1.738 20 5 CDBDHN CCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001133406432 1163688385 /nfs/dbraw/zinc/68/83/85/1163688385.db2.gz CHDZJCSFLGUNSP-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN Cc1c([C@@H](C)N[C@@H]2COCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000601306566 342551237 /nfs/dbraw/zinc/55/12/37/342551237.db2.gz LTTYLDUPTWDCMA-MPKXVKKWSA-N 0 3 280.324 1.704 20 5 CDBDHN CC1CCN(C[C@H](O)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000067373167 342048879 /nfs/dbraw/zinc/04/88/79/342048879.db2.gz MTEKGXRWQFSBKL-GFCCVEGCSA-N 0 3 294.355 1.495 20 5 CDBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000608860439 342079465 /nfs/dbraw/zinc/07/94/65/342079465.db2.gz LOQZKAAUKHKAQM-ZDUSSCGKSA-N 0 3 290.323 1.284 20 5 CDBDHN Cn1c(C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000608906296 342084166 /nfs/dbraw/zinc/08/41/66/342084166.db2.gz XCLUUHSPOCWHGZ-LLVKDONJSA-N 0 3 292.339 1.244 20 5 CDBDHN COc1ccc(CN(C)C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000591473299 342634314 /nfs/dbraw/zinc/63/43/14/342634314.db2.gz DCUYYDTZPOTULN-TXEJJXNPSA-N 0 3 280.324 1.806 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1 ZINC000592543928 342708690 /nfs/dbraw/zinc/70/86/90/342708690.db2.gz YIJYDYNYFYBPJM-LLVKDONJSA-N 0 3 292.339 1.247 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419792 342903139 /nfs/dbraw/zinc/90/31/39/342903139.db2.gz RLQRULLASIAIHI-QWRGUYRKSA-N 0 3 293.327 1.065 20 5 CDBDHN CCC(C)(C)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000594594278 342923122 /nfs/dbraw/zinc/92/31/22/342923122.db2.gz NBQBGKLHGOPKPB-UHFFFAOYSA-N 0 3 281.360 1.639 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCN1C ZINC000158549987 342290390 /nfs/dbraw/zinc/29/03/90/342290390.db2.gz SHZBSKLZWANCRD-BDAKNGLRSA-N 0 3 251.290 1.279 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)CO ZINC000595020282 342995949 /nfs/dbraw/zinc/99/59/49/342995949.db2.gz YIBQWPJNMCWDEJ-NXEZZACHSA-N 0 3 268.313 1.882 20 5 CDBDHN COCC[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041150 342998235 /nfs/dbraw/zinc/99/82/35/342998235.db2.gz YSLFNAHKPJWEQZ-WDEREUQCSA-N 0 3 298.339 1.651 20 5 CDBDHN C[C@H](O)[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595769811 343146630 /nfs/dbraw/zinc/14/66/30/343146630.db2.gz MCVFTBKMBPXDKF-SMDDNHRTSA-N 0 3 280.324 1.819 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595736400 343135793 /nfs/dbraw/zinc/13/57/93/343135793.db2.gz FNRUPNYIAPKLNL-CQSZACIVSA-N 0 3 296.323 1.321 20 5 CDBDHN C[C@@H]1CCN[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126468854 187242096 /nfs/dbraw/zinc/24/20/96/187242096.db2.gz QPYVZLOJOWFPFI-MFKMUULPSA-N 0 3 277.324 1.599 20 5 CDBDHN CCN1CCN(CCNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000596074324 343226050 /nfs/dbraw/zinc/22/60/50/343226050.db2.gz SXYCHSDICPQJIB-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN CC[N@@H+]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596097546 343235354 /nfs/dbraw/zinc/23/53/54/343235354.db2.gz ZAMRRFOUTFBZDU-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN CC[N@H+]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596097546 343235356 /nfs/dbraw/zinc/23/53/56/343235356.db2.gz ZAMRRFOUTFBZDU-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596197866 343263027 /nfs/dbraw/zinc/26/30/27/343263027.db2.gz YFWQUWATZSJMEG-UHFFFAOYSA-N 0 3 292.339 1.224 20 5 CDBDHN CC(C)(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000596335848 343297883 /nfs/dbraw/zinc/29/78/83/343297883.db2.gz JMSQUXJDMGVXNV-VIFPVBQESA-N 0 3 265.317 1.670 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCC(O)CC1 ZINC000092620538 342418438 /nfs/dbraw/zinc/41/84/38/342418438.db2.gz MUBHAHKUYVYANZ-UHFFFAOYSA-N 0 3 294.355 1.557 20 5 CDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000139670037 342432751 /nfs/dbraw/zinc/43/27/51/342432751.db2.gz XVUUQJRHYANLMW-NSHDSACASA-N 0 3 290.323 1.953 20 5 CDBDHN Cc1c([C@H](C)NCCN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000599094822 343953643 /nfs/dbraw/zinc/95/36/43/343953643.db2.gz YWGWVMZUKTTXIJ-STQMWFEESA-N 0 3 293.367 1.620 20 5 CDBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000210683211 344177386 /nfs/dbraw/zinc/17/73/86/344177386.db2.gz VWHUPQWEWVXVHS-DAXSKMNVSA-N 0 3 275.308 1.430 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1[C@H](C)O ZINC000602775613 344578118 /nfs/dbraw/zinc/57/81/18/344578118.db2.gz KIBCSMAJADFHHF-JQWIXIFHSA-N 0 3 282.344 1.335 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](CO)[C@H]1C ZINC000602846354 344623669 /nfs/dbraw/zinc/62/36/69/344623669.db2.gz OQSZBZGEKZAANI-ZYHUDNBSSA-N 0 3 282.344 1.193 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C)[C@@H]1CCO ZINC000602882077 344633633 /nfs/dbraw/zinc/63/36/33/344633633.db2.gz IHDIHTUTYIMJNR-YPMHNXCESA-N 0 3 296.371 1.583 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC[C@@H]1CSCCN1 ZINC000603419671 344799352 /nfs/dbraw/zinc/79/93/52/344799352.db2.gz PENYDNBTKKCGNJ-MRVPVSSYSA-N 0 3 254.315 1.107 20 5 CDBDHN O=[N+]([O-])c1c(NC[C@@H]2CSCCN2)nc2sccn21 ZINC000603419629 344807641 /nfs/dbraw/zinc/80/76/41/344807641.db2.gz ORGQKHAXEKONKZ-SSDOTTSWSA-N 0 3 299.381 1.421 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CCOC3)CC2)c1 ZINC000611177978 346629368 /nfs/dbraw/zinc/62/93/68/346629368.db2.gz OZUIREFDJRUCRU-UHFFFAOYSA-N 0 3 280.328 1.294 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000066959120 349008263 /nfs/dbraw/zinc/00/82/63/349008263.db2.gz FBJUHOVXYSIDQX-UHFFFAOYSA-N 0 3 257.315 1.338 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC1(O)CCOCC1 ZINC000161491742 363079519 /nfs/dbraw/zinc/07/95/19/363079519.db2.gz NVTVMKJLTCCWBZ-UHFFFAOYSA-N 0 3 298.314 1.707 20 5 CDBDHN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000122657168 187044215 /nfs/dbraw/zinc/04/42/15/187044215.db2.gz PZYZWPSASVMKED-RKDXNWHRSA-N 0 3 281.287 1.556 20 5 CDBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)CO ZINC000292041143 198142422 /nfs/dbraw/zinc/14/24/22/198142422.db2.gz AMCLOALMSDNRNA-LLVKDONJSA-N 0 3 298.339 1.685 20 5 CDBDHN CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000157305275 188308747 /nfs/dbraw/zinc/30/87/47/188308747.db2.gz UVSMIUCSEAUQFP-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2CC2)cc1 ZINC000273511937 192181889 /nfs/dbraw/zinc/18/18/89/192181889.db2.gz RADBKEBLBSTSMX-UHFFFAOYSA-N 0 3 284.337 1.368 20 5 CDBDHN C[C@@](O)(CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000336794987 356262315 /nfs/dbraw/zinc/26/23/15/356262315.db2.gz HAFYYICXBMFDIE-CYBMUJFWSA-N 0 3 250.298 1.845 20 5 CDBDHN CCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273516923 192184290 /nfs/dbraw/zinc/18/42/90/192184290.db2.gz XXDSELGFRYFYLH-UHFFFAOYSA-N 0 3 284.291 1.807 20 5 CDBDHN C[C@H](CNc1ncc([N+](=O)[O-])s1)N(C)C1CC1 ZINC000193856494 363531041 /nfs/dbraw/zinc/53/10/41/363531041.db2.gz VSDJNKSAUAOXNC-SSDOTTSWSA-N 0 3 256.331 1.946 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCc1cnccn1 ZINC000341371182 357239414 /nfs/dbraw/zinc/23/94/14/357239414.db2.gz NIRSYFFUCADZFS-UHFFFAOYSA-N 0 3 258.281 1.717 20 5 CDBDHN Cc1c(CN(C)CCC(N)=O)cccc1[N+](=O)[O-] ZINC000286618284 357589951 /nfs/dbraw/zinc/58/99/51/357589951.db2.gz XMZHDOQYLCYEFZ-UHFFFAOYSA-N 0 3 251.286 1.210 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCCCC2)nc1 ZINC000048976610 357792284 /nfs/dbraw/zinc/79/22/84/357792284.db2.gz XPGPJCYROKAJEI-GFCCVEGCSA-N 0 3 280.328 1.249 20 5 CDBDHN Cc1cc(NC[C@H]2CCCN2C)ncc1[N+](=O)[O-] ZINC000220204400 358044472 /nfs/dbraw/zinc/04/44/72/358044472.db2.gz XRPYIWGQNFHVON-SNVBAGLBSA-N 0 3 250.302 1.804 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000190905610 358099213 /nfs/dbraw/zinc/09/92/13/358099213.db2.gz IEEOCHHDEBDUGS-NEPJUHHUSA-N 0 3 280.324 1.534 20 5 CDBDHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000287349288 358444357 /nfs/dbraw/zinc/44/43/57/358444357.db2.gz ZOBTYBSCCTXFRN-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN COC(=O)COC[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296157035 358534746 /nfs/dbraw/zinc/53/47/46/358534746.db2.gz WHPMACHDFRDCDR-MNOVXSKESA-N 0 3 296.323 1.824 20 5 CDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000112926669 359366591 /nfs/dbraw/zinc/36/65/91/359366591.db2.gz VKSPFKOPOXKDHP-UHFFFAOYSA-N 0 3 296.283 1.185 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339623036 359418189 /nfs/dbraw/zinc/41/81/89/359418189.db2.gz MJQKKYJEJUQFMB-CHWSQXEVSA-N 0 3 293.367 1.998 20 5 CDBDHN C[C@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])N(C)C ZINC000298878042 200554662 /nfs/dbraw/zinc/55/46/62/200554662.db2.gz XNFNJXGWYSVVCU-LLVKDONJSA-N 0 3 295.339 1.430 20 5 CDBDHN CC(=O)N1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000035011569 364615320 /nfs/dbraw/zinc/61/53/20/364615320.db2.gz FNVVUMXMRIXJDQ-UHFFFAOYSA-N 0 3 277.324 1.695 20 5 CDBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000133619959 364908930 /nfs/dbraw/zinc/90/89/30/364908930.db2.gz QAXSNJSWSOSCGT-UHFFFAOYSA-N 0 3 294.355 1.821 20 5 CDBDHN C[C@]1(CO)CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000546104638 365207705 /nfs/dbraw/zinc/20/77/05/365207705.db2.gz MFJHBHRLOZWIER-CQSZACIVSA-N 0 3 280.324 1.820 20 5 CDBDHN C[C@@]1(F)CNCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000414765808 241375037 /nfs/dbraw/zinc/37/50/37/241375037.db2.gz GGFUGEQCRCXJAG-CYBMUJFWSA-N 0 3 267.304 1.728 20 5 CDBDHN C[C@@]1(F)CNCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000414766266 241375399 /nfs/dbraw/zinc/37/53/99/241375399.db2.gz HJSYPTNQYDAYAQ-CYBMUJFWSA-N 0 3 267.304 1.728 20 5 CDBDHN CN1CC=C(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000271925312 367036514 /nfs/dbraw/zinc/03/65/14/367036514.db2.gz LGFYYMRAMAIOIX-UHFFFAOYSA-N 0 3 290.323 1.169 20 5 CDBDHN CN(CCN1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000301187202 368221492 /nfs/dbraw/zinc/22/14/92/368221492.db2.gz KEMSGYFAJNPMKC-UHFFFAOYSA-N 0 3 250.302 1.522 20 5 CDBDHN CCc1n[nH]c(C(=O)NCC2(N(C)C)CCC2)c1[N+](=O)[O-] ZINC000276118132 193218374 /nfs/dbraw/zinc/21/83/74/193218374.db2.gz YOHBKEOVNPCICF-UHFFFAOYSA-N 0 3 295.343 1.094 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000330888256 203355479 /nfs/dbraw/zinc/35/54/79/203355479.db2.gz GDGBOWNOUGOZBW-WCQYABFASA-N 0 3 291.351 1.736 20 5 CDBDHN CN1CC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000037729871 370011737 /nfs/dbraw/zinc/01/17/37/370011737.db2.gz KRZOCTROZNCIGI-SECBINFHSA-N 0 3 280.284 1.867 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000295305225 371205869 /nfs/dbraw/zinc/20/58/69/371205869.db2.gz VHFVATSANROOMK-UHFFFAOYSA-N 0 3 282.340 1.924 20 5 CDBDHN Cc1cccc(C(=O)NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000298355493 373511079 /nfs/dbraw/zinc/51/10/79/373511079.db2.gz NYXNUQBTLBBFPR-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN C[C@H](O)CCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675452 373673948 /nfs/dbraw/zinc/67/39/48/373673948.db2.gz PBKWJDKAPVUJIS-GWCFXTLKSA-N 0 3 268.313 1.331 20 5 CDBDHN O=C(COc1cccc([N+](=O)[O-])c1)NCCN1CCCC1 ZINC000078426863 374310354 /nfs/dbraw/zinc/31/03/54/374310354.db2.gz WCPRIQMYNXOGPL-UHFFFAOYSA-N 0 3 293.323 1.186 20 5 CDBDHN N[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000422940355 374363706 /nfs/dbraw/zinc/36/37/06/374363706.db2.gz SPELUAMETYCKDV-CYBMUJFWSA-N 0 3 292.339 1.250 20 5 CDBDHN C[C@H](CC(N)=O)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582107 374703821 /nfs/dbraw/zinc/70/38/21/374703821.db2.gz XZECIVWUHIUWNP-NOZJJQNGSA-N 0 3 277.324 1.826 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cnnn1C ZINC000449330136 374799445 /nfs/dbraw/zinc/79/94/45/374799445.db2.gz SBJKRXRPUFRTNS-JTQLQIEISA-N 0 3 275.312 1.444 20 5 CDBDHN CO[C@H]1COCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000449452688 374810566 /nfs/dbraw/zinc/81/05/66/374810566.db2.gz GOESELMNBHZCOV-QWRGUYRKSA-N 0 3 286.353 1.797 20 5 CDBDHN CC1=CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280820738 375026664 /nfs/dbraw/zinc/02/66/64/375026664.db2.gz NHPXGRHBZJLHIL-CQSZACIVSA-N 0 3 292.335 1.987 20 5 CDBDHN Cc1cc(F)c(NC(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000284009847 375128591 /nfs/dbraw/zinc/12/85/91/375128591.db2.gz NTJMVQBQAHBYDA-UHFFFAOYSA-N 0 3 284.291 1.725 20 5 CDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000344724276 375291357 /nfs/dbraw/zinc/29/13/57/375291357.db2.gz QRSIBJCAPUNNSG-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344724276 375291366 /nfs/dbraw/zinc/29/13/66/375291366.db2.gz QRSIBJCAPUNNSG-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000049095704 375402394 /nfs/dbraw/zinc/40/23/94/375402394.db2.gz OZQZELDTZGMBEQ-SNVBAGLBSA-N 0 3 281.287 1.558 20 5 CDBDHN C[C@@H]1CSC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352798875 375540743 /nfs/dbraw/zinc/54/07/43/375540743.db2.gz DTJBZJREJKCYPG-KCJUWKMLSA-N 0 3 295.364 1.535 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353439573 375609542 /nfs/dbraw/zinc/60/95/42/375609542.db2.gz MMELXXIVHDALNL-RNCFNFMXSA-N 0 3 295.339 1.593 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000262816219 190063536 /nfs/dbraw/zinc/06/35/36/190063536.db2.gz RXKUDBGHQMBLKS-VHSXEESVSA-N 0 3 263.297 1.417 20 5 CDBDHN CCc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262739780 190061936 /nfs/dbraw/zinc/06/19/36/190061936.db2.gz DMVHEIIMDPOANI-WDEREUQCSA-N 0 3 291.351 1.980 20 5 CDBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264023951 190089890 /nfs/dbraw/zinc/08/98/90/190089890.db2.gz HTEQUDSDQBYGDM-UHFFFAOYSA-N 0 3 280.328 1.337 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1CN1CCCC1 ZINC000066944937 376683407 /nfs/dbraw/zinc/68/34/07/376683407.db2.gz SPWAPCKTXNPXDJ-LLVKDONJSA-N 0 3 293.323 1.888 20 5 CDBDHN C[C@H](CO)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000266137540 190233591 /nfs/dbraw/zinc/23/35/91/190233591.db2.gz GCRSKEDYCHBBHI-SNVBAGLBSA-N 0 3 290.323 1.466 20 5 CDBDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000443332464 250024199 /nfs/dbraw/zinc/02/41/99/250024199.db2.gz HSYFZBQSPODMIG-IJLUTSLNSA-N 0 3 282.344 1.273 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCCO1 ZINC000267045055 190299396 /nfs/dbraw/zinc/29/93/96/190299396.db2.gz DXYGJIUTSOEKDQ-LLVKDONJSA-N 0 3 268.317 1.292 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268152336 190381002 /nfs/dbraw/zinc/38/10/02/190381002.db2.gz MYDWIOGWVOJPOV-WCBMZHEXSA-N 0 3 265.317 1.223 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206098 190386182 /nfs/dbraw/zinc/38/61/82/190386182.db2.gz JSBBNXVKPXSPGV-IINYFYTJSA-N 0 3 289.335 1.807 20 5 CDBDHN CC(C)(CNCc1csc([N+](=O)[O-])c1)OCCO ZINC000288490565 197093317 /nfs/dbraw/zinc/09/33/17/197093317.db2.gz QUVSDCGFGVZKLP-UHFFFAOYSA-N 0 3 274.342 1.533 20 5 CDBDHN COC[C@@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000394617003 390188955 /nfs/dbraw/zinc/18/89/55/390188955.db2.gz WHJMTVHRLYSOPT-ZDUSSCGKSA-N 0 3 284.312 1.090 20 5 CDBDHN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000122908969 391357701 /nfs/dbraw/zinc/35/77/01/391357701.db2.gz KNBRVIXZTVHXBT-YUMQZZPRSA-N 0 3 270.720 1.830 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCCNC1=O ZINC000449073905 391677776 /nfs/dbraw/zinc/67/77/76/391677776.db2.gz JOJCDANUILZEQH-YPMHNXCESA-N 0 3 291.351 1.784 20 5 CDBDHN C[C@@H]1C[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488570205 392697919 /nfs/dbraw/zinc/69/79/19/392697919.db2.gz CYMYJSNRUVTBEG-GHMZBOCLSA-N 0 3 298.364 1.614 20 5 CDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000368588240 392936712 /nfs/dbraw/zinc/93/67/12/392936712.db2.gz DFFRFEJGVBLZHP-ZWNOBZJWSA-N 0 3 290.323 1.156 20 5 CDBDHN Cc1cc(OCC(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000431360957 393108840 /nfs/dbraw/zinc/10/88/40/393108840.db2.gz DVIZOLCWAZIGLZ-LLVKDONJSA-N 0 3 295.339 1.348 20 5 CDBDHN CN(C)C1CN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297645649 393281290 /nfs/dbraw/zinc/28/12/90/393281290.db2.gz YAINFLVTDPZVAX-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN CO[C@@]1(C)C[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286909 148035174 /nfs/dbraw/zinc/03/51/74/148035174.db2.gz LACHCSMGLCKJRI-FZMZJTMJSA-N 0 3 296.371 1.927 20 5 CDBDHN C[C@@H](O)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000310918324 149204633 /nfs/dbraw/zinc/20/46/33/149204633.db2.gz GRDMKISSMRBSPB-RKDXNWHRSA-N 0 3 256.277 1.983 20 5 CDBDHN Cc1c(CN[C@@H](C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000312450814 149231431 /nfs/dbraw/zinc/23/14/31/149231431.db2.gz UZYFAVRKOCJLGC-JTQLQIEISA-N 0 3 279.340 1.860 20 5 CDBDHN Cc1c(CN[C@H](C)CC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000312450816 149231476 /nfs/dbraw/zinc/23/14/76/149231476.db2.gz UZYFAVRKOCJLGC-SNVBAGLBSA-N 0 3 279.340 1.860 20 5 CDBDHN CCO[C@@H]1COC[C@H]1N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449727625 286232403 /nfs/dbraw/zinc/23/24/03/286232403.db2.gz QVSZPKMRIXPUTE-NJZAAPMLSA-N 0 3 294.351 1.919 20 5 CDBDHN Cc1c(C(=O)N[C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000346131796 153064231 /nfs/dbraw/zinc/06/42/31/153064231.db2.gz HXJQXQLVCOCKGI-SECBINFHSA-N 0 3 265.313 1.583 20 5 CDBDHN Cc1cccc(C(=O)N[C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000346270224 153119555 /nfs/dbraw/zinc/11/95/55/153119555.db2.gz QITNPBXULFUUNY-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CCOCC3)CC2)c1 ZINC000375272420 160359917 /nfs/dbraw/zinc/35/99/17/160359917.db2.gz OBVGRUPUZUVPRA-UHFFFAOYSA-N 0 3 294.355 1.684 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CC[C@H](CO)O2)c1 ZINC000353711964 156033461 /nfs/dbraw/zinc/03/34/61/156033461.db2.gz UZLBONAPBDWNGP-CHWSQXEVSA-N 0 3 266.297 1.224 20 5 CDBDHN O=C(CCN1CCCOCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363379763 159322564 /nfs/dbraw/zinc/32/25/64/159322564.db2.gz WPZMPGYCIWBWAX-UHFFFAOYSA-N 0 3 293.323 1.646 20 5 CDBDHN O=[N+]([O-])c1cc(CNCCN2CCCC2)cs1 ZINC000037562585 173272875 /nfs/dbraw/zinc/27/28/75/173272875.db2.gz ORUZVBQTHKYHNM-UHFFFAOYSA-N 0 3 255.343 1.842 20 5 CDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCF ZINC000436316260 274472113 /nfs/dbraw/zinc/47/21/13/274472113.db2.gz RMMHBJSOMGTVQE-SECBINFHSA-N 0 3 269.276 1.871 20 5 CDBDHN CC[C@](C)(NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000177135521 276648724 /nfs/dbraw/zinc/64/87/24/276648724.db2.gz XHNIULRKVFZPIE-ZDUSSCGKSA-N 0 3 281.312 1.217 20 5 CDBDHN C[C@H](CN1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000048921611 279165022 /nfs/dbraw/zinc/16/50/22/279165022.db2.gz RUJAWBKOBFOEOO-WDEREUQCSA-N 0 3 281.360 1.861 20 5 CDBDHN CC(C)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000106912061 279299615 /nfs/dbraw/zinc/29/96/15/279299615.db2.gz DNZGVQIVVMIGTE-CYBMUJFWSA-N 0 3 279.340 1.797 20 5 CDBDHN Cn1c(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000352596655 279306279 /nfs/dbraw/zinc/30/62/79/279306279.db2.gz CBNPWURDMWNSIU-PWSUYJOCSA-N 0 3 292.339 1.100 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CN(C)C)c1 ZINC000411102218 281008470 /nfs/dbraw/zinc/00/84/70/281008470.db2.gz SETDZQJSLULTIA-UHFFFAOYSA-N 0 3 279.340 1.973 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC(=O)N(C)C1 ZINC000555878758 290242972 /nfs/dbraw/zinc/24/29/72/290242972.db2.gz MCWCZSULCCULKD-AWEZNQCLSA-N 0 3 291.351 1.690 20 5 CDBDHN COCCN(C)CCNCc1csc([N+](=O)[O-])c1 ZINC000061377514 523607826 /nfs/dbraw/zinc/60/78/26/523607826.db2.gz IAENCRBDABQLQJ-UHFFFAOYSA-N 0 3 273.358 1.324 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CN2CCC1CC2 ZINC000052812229 525578191 /nfs/dbraw/zinc/57/81/91/525578191.db2.gz ZYSRJTBQFGXDCU-GFCCVEGCSA-N 0 3 262.313 1.804 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)NC[C@@H]1C ZINC000261667590 535970381 /nfs/dbraw/zinc/97/03/81/535970381.db2.gz ZPLUIYVINBDORT-BDAKNGLRSA-N 0 3 267.333 1.306 20 5 CDBDHN CCN(CCc1ccccn1)CCn1cc([N+](=O)[O-])cn1 ZINC000746663152 576788555 /nfs/dbraw/zinc/78/85/55/576788555.db2.gz OLFYRDJMIARGJD-UHFFFAOYSA-N 0 3 289.339 1.751 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)N(C)CCO2)[N+](=O)[O-] ZINC000893044779 618092363 /nfs/dbraw/zinc/09/23/63/618092363.db2.gz NCDNWOZFLCXOQO-SECBINFHSA-N 0 3 280.280 1.337 20 5 CDBDHN Cc1noc(CONC(=N)[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000853696712 694059754 /nfs/dbraw/zinc/05/97/54/694059754.db2.gz ACNHLIBOALNFLS-ZETCQYMHSA-N 0 3 270.245 1.069 20 5 CDBDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](NCC[N+](=O)[O-])C1(C)C ZINC000930879017 688300463 /nfs/dbraw/zinc/30/04/63/688300463.db2.gz GWTOHRAPFLPXSR-UWVGGRQHSA-N 0 3 287.360 1.545 20 5 CDBDHN CC(COC(=O)c1n[nH]c2c1CCCCC2)[N+](=O)[O-] ZINC000813105647 688694121 /nfs/dbraw/zinc/69/41/21/688694121.db2.gz RBKPGUAFEZPYHD-QMMMGPOBSA-N 0 3 267.285 1.501 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)CC(F)F)c1 ZINC000843112524 688695679 /nfs/dbraw/zinc/69/56/79/688695679.db2.gz YVGXNIAXHPAAKF-ONGXEEELSA-N 0 3 290.266 1.234 20 5 CDBDHN COCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193587289 694515684 /nfs/dbraw/zinc/51/56/84/694515684.db2.gz UDDCYACOQGBKRL-UHFFFAOYSA-N 0 3 279.340 1.753 20 5 CDBDHN CCn1ncc2cc(C(=O)OCC(C)[N+](=O)[O-])c(C)nc21 ZINC000813114446 692443898 /nfs/dbraw/zinc/44/38/98/692443898.db2.gz BLODYLITAQYSHV-QMMMGPOBSA-N 0 3 292.295 1.582 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](O)CC2)cc1 ZINC000815296935 692446716 /nfs/dbraw/zinc/44/67/16/692446716.db2.gz INKFRDKHEFWGNC-UONOGXRCSA-N 0 3 280.324 1.475 20 5 CDBDHN CC(COC(=O)c1ccc2nsnc2c1)[N+](=O)[O-] ZINC000813115278 693416287 /nfs/dbraw/zinc/41/62/87/693416287.db2.gz OFHXKNJRHIEPBO-LURJTMIESA-N 0 3 267.266 1.513 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCN(C)C1 ZINC000850432097 694807315 /nfs/dbraw/zinc/80/73/15/694807315.db2.gz QZTWQFOYRXSVGM-QWRGUYRKSA-N 0 3 279.340 1.958 20 5 CDBDHN CC[C@@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000129188518 694839909 /nfs/dbraw/zinc/83/99/09/694839909.db2.gz YGIXLPRKDBHWDG-LLVKDONJSA-N 0 3 285.731 1.944 20 5 CDBDHN CN1CC(CNc2cccc3ncc([N+](=O)[O-])n32)C1 ZINC001170259621 1162320738 /nfs/dbraw/zinc/32/07/38/1162320738.db2.gz XXDODMNWALGFQQ-UHFFFAOYSA-N 0 3 261.285 1.216 20 5 CDBDHN COc1ccc(C[C@@H](C)N[C@H]2COC(=O)C2)c([N+](=O)[O-])c1 ZINC001170304958 1162329252 /nfs/dbraw/zinc/32/92/52/1162329252.db2.gz IMSGXMKUELPZQB-MWLCHTKSSA-N 0 3 294.307 1.440 20 5 CDBDHN COc1ccc(C[C@@H](C)N2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC001170328316 1162338446 /nfs/dbraw/zinc/33/84/46/1162338446.db2.gz JRTKUNZJEUHSDM-LLVKDONJSA-N 0 3 294.351 1.991 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H]1CNCCO1 ZINC001170567127 1162940930 /nfs/dbraw/zinc/94/09/30/1162940930.db2.gz JFOGXYWSHFXPQM-ZYHUDNBSSA-N 0 3 265.313 1.692 20 5 CDBDHN C[C@H](Nc1cc([N+](=O)[O-])c2nccn2c1)[C@@H]1CNCCO1 ZINC001170568386 1162947065 /nfs/dbraw/zinc/94/70/65/1162947065.db2.gz OCTGVDQCUURKPM-CABZTGNLSA-N 0 3 291.311 1.031 20 5 CDBDHN Cc1c(N[C@@H](C)[C@@H]2CNCCO2)cc(F)cc1[N+](=O)[O-] ZINC001170567785 1162950984 /nfs/dbraw/zinc/95/09/84/1162950984.db2.gz LUWBTGQVDZWAQN-ZANVPECISA-N 0 3 283.303 1.831 20 5 CDBDHN COC(=O)c1[nH]c(C)c(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813111397 1163815828 /nfs/dbraw/zinc/81/58/28/1163815828.db2.gz TTWPEKHHHSIUTG-LURJTMIESA-N 0 3 284.268 1.240 20 5 CDBDHN CN(CCO)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000884824040 723110346 /nfs/dbraw/zinc/11/03/46/723110346.db2.gz ORNUQZZZMAXVPV-UHFFFAOYSA-N 0 3 290.323 1.479 20 5 CDBDHN Nc1nc(N2CCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000167825135 721857442 /nfs/dbraw/zinc/85/74/42/721857442.db2.gz DIRXPAZLBCUZDN-UHFFFAOYSA-N 0 3 291.355 1.637 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000840250984 723631115 /nfs/dbraw/zinc/63/11/15/723631115.db2.gz GCZSUQOPPOBWCU-ONGXEEELSA-N 0 3 296.302 1.404 20 5 CDBDHN CC(C)[C@@](C)(Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(N)=O ZINC001167415339 895591438 /nfs/dbraw/zinc/59/14/38/895591438.db2.gz NNRAXNKYNQUOEH-CQSZACIVSA-N 0 3 292.339 1.510 20 5 CDBDHN CN1CCN(C(=N)Nc2cc(F)cc(F)c2[N+](=O)[O-])CC1 ZINC001168736376 921877006 /nfs/dbraw/zinc/87/70/06/921877006.db2.gz GCSSXQSUVCNYNR-UHFFFAOYSA-N 0 3 299.281 1.467 20 5 CDBDHN CC(COC(=O)CCCc1cccnc1)[N+](=O)[O-] ZINC000851036826 927503286 /nfs/dbraw/zinc/50/32/86/927503286.db2.gz NCXDNXWYFCVFDA-SNVBAGLBSA-N 0 3 252.270 1.613 20 5 CDBDHN O=C1CC[C@]2(CCCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169044821 927657180 /nfs/dbraw/zinc/65/71/80/927657180.db2.gz IYQWWZJJRLTGOV-SCRDCRAPSA-N 0 3 282.340 1.603 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ncnc(Cl)c2[N+](=O)[O-])n1 ZINC001169227988 927826462 /nfs/dbraw/zinc/82/64/62/927826462.db2.gz JVDDNNGSBZEMLI-RXMQYKEDSA-N 0 3 268.664 1.244 20 5 CDBDHN COc1cc(C)nc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159500202 930315773 /nfs/dbraw/zinc/31/57/73/930315773.db2.gz WLWPPDFQAHGUIU-MWLCHTKSSA-N 0 3 296.327 1.096 20 5 CDBDHN NCc1cn(-c2ccnc3c2cccc3[N+](=O)[O-])cn1 ZINC001162303949 938975817 /nfs/dbraw/zinc/97/58/17/938975817.db2.gz BFAPWNFZCFFWDJ-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN NCc1ccnn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001162593671 939097187 /nfs/dbraw/zinc/09/71/87/939097187.db2.gz OQRXQJLJSJMZKU-UHFFFAOYSA-N 0 3 257.253 1.721 20 5 CDBDHN CCN1CCCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001163773436 939328137 /nfs/dbraw/zinc/32/81/37/939328137.db2.gz BUDRFXFNACAPHF-UHFFFAOYSA-N 0 3 265.317 1.225 20 5 CDBDHN Cc1nc(Cl)nc(-n2ncc3c2CCNC3)c1[N+](=O)[O-] ZINC001165219339 939526424 /nfs/dbraw/zinc/52/64/24/939526424.db2.gz XGCFYNIYQIKHFS-UHFFFAOYSA-N 0 3 294.702 1.178 20 5 CDBDHN COCCN1CCC(Oc2nccc(C)c2[N+](=O)[O-])CC1 ZINC001226117272 941953820 /nfs/dbraw/zinc/95/38/20/941953820.db2.gz BDGQPOCJUCRBLL-UHFFFAOYSA-N 0 3 295.339 1.788 20 5 CDBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])nc2)CC1 ZINC001226711935 942054673 /nfs/dbraw/zinc/05/46/73/942054673.db2.gz IOMGVXLAHJRVCA-UHFFFAOYSA-N 0 3 281.312 1.479 20 5 CDBDHN O=[N+]([O-])c1ccncc1OC1CCN(C2CC2)CC1 ZINC001228879487 942387323 /nfs/dbraw/zinc/38/73/23/942387323.db2.gz GVXGXXPLAQVTCG-UHFFFAOYSA-N 0 3 263.297 1.995 20 5 CDBDHN COCCN1CCC(Oc2c(C)ccnc2[N+](=O)[O-])CC1 ZINC001233556839 943615530 /nfs/dbraw/zinc/61/55/30/943615530.db2.gz PKGNDPLVXVLZIG-UHFFFAOYSA-N 0 3 295.339 1.788 20 5 CDBDHN C[C@H](NC(=O)[C@@H](N)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001340997817 963229294 /nfs/dbraw/zinc/22/92/94/963229294.db2.gz YXSLIPMSMUDYJL-ZANVPECISA-N 0 3 277.324 1.899 20 5 CDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC001344809710 964438239 /nfs/dbraw/zinc/43/82/39/964438239.db2.gz XTIKRFKWPCOPCZ-VIFPVBQESA-N 0 3 253.254 1.826 20 5 CDBDHN Cc1cc(NC(=O)C[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001515789095 969917784 /nfs/dbraw/zinc/91/77/84/969917784.db2.gz KZAUTDIFPXMFNZ-LBPRGKRZSA-N 0 3 279.296 1.220 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(CCO)CC1 ZINC000401149614 342478215 /nfs/dbraw/zinc/47/82/15/342478215.db2.gz WFSRKPDHHJMETO-UHFFFAOYSA-N 0 3 282.344 1.194 20 5 CDBDHN NC(=O)C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589209932 342500345 /nfs/dbraw/zinc/50/03/45/342500345.db2.gz YUAUZLAECOMZHH-KTLBGCOUSA-N 0 3 289.335 1.805 20 5 CDBDHN C[C@@]1(CNCc2ccc([N+](=O)[O-])cc2)CCC(=O)N1 ZINC000453588657 252327898 /nfs/dbraw/zinc/32/78/98/252327898.db2.gz LKERMFZNZREZES-ZDUSSCGKSA-N 0 3 263.297 1.353 20 5 CDBDHN COc1cccc(C(=O)NC[C@@H]2C[C@H](F)CN2)c1[N+](=O)[O-] ZINC000591686186 342643305 /nfs/dbraw/zinc/64/33/05/342643305.db2.gz QLWMVKZDOWJJBW-IUCAKERBSA-N 0 3 297.286 1.033 20 5 CDBDHN CC[C@@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000130155490 342209223 /nfs/dbraw/zinc/20/92/23/342209223.db2.gz CDMXONCSVDWTHV-LLVKDONJSA-N 0 3 265.313 1.683 20 5 CDBDHN COC[C@@H](CO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353144059 361995022 /nfs/dbraw/zinc/99/50/22/361995022.db2.gz BSYPEDLJJQZRAO-TXNVCOODSA-N 0 3 266.297 1.205 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCCCC[C@@H]2CO)n1 ZINC000594017168 342866247 /nfs/dbraw/zinc/86/62/47/342866247.db2.gz SUADJVZITHTPGP-LLVKDONJSA-N 0 3 268.317 1.028 20 5 CDBDHN COCC[C@H](C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523131 342227351 /nfs/dbraw/zinc/22/73/51/342227351.db2.gz HYMYTEJFLLCHMQ-RYUDHWBXSA-N 0 3 294.355 1.901 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417709 342902819 /nfs/dbraw/zinc/90/28/19/342902819.db2.gz FENLUEFNKXDNAH-ONGXEEELSA-N 0 3 293.327 1.065 20 5 CDBDHN CC[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594521545 342917355 /nfs/dbraw/zinc/91/73/55/342917355.db2.gz SQSORFZMLREGPP-BXKDBHETSA-N 0 3 250.298 1.943 20 5 CDBDHN O=[N+]([O-])c1ncccc1N[C@@H]1CCN(CC2CC2)C1 ZINC000609384353 342267863 /nfs/dbraw/zinc/26/78/63/342267863.db2.gz MVGLRSHYFWHVFY-LLVKDONJSA-N 0 3 262.313 1.886 20 5 CDBDHN CC[C@H](N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653696 342934675 /nfs/dbraw/zinc/93/46/75/342934675.db2.gz XWVBHIIPXHHGCA-QMMMGPOBSA-N 0 3 263.257 1.291 20 5 CDBDHN COc1ccc(CNC(=O)CNC(C)C)cc1[N+](=O)[O-] ZINC000595251085 343011055 /nfs/dbraw/zinc/01/10/55/343011055.db2.gz XVZNKWBSQNABAV-UHFFFAOYSA-N 0 3 281.312 1.218 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595456120 343067477 /nfs/dbraw/zinc/06/74/77/343067477.db2.gz WDKMJYHMXNIHKU-NEPJUHHUSA-N 0 3 295.314 1.738 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595456121 343068217 /nfs/dbraw/zinc/06/82/17/343068217.db2.gz WDKMJYHMXNIHKU-NWDGAFQWSA-N 0 3 295.314 1.738 20 5 CDBDHN CCN1CCCN(Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595534697 343091766 /nfs/dbraw/zinc/09/17/66/343091766.db2.gz FALIOLILBRHCOX-JTQLQIEISA-N 0 3 282.344 1.807 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000595566209 343099959 /nfs/dbraw/zinc/09/99/59/343099959.db2.gz GGJWZTKNRADAGQ-AAEUAGOBSA-N 0 3 277.324 1.631 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CCCC[C@@H]32)n1 ZINC000595568951 343100984 /nfs/dbraw/zinc/10/09/84/343100984.db2.gz YTOBCBLWCYAEMA-QWRGUYRKSA-N 0 3 250.302 1.666 20 5 CDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595876232 343178090 /nfs/dbraw/zinc/17/80/90/343178090.db2.gz RCFAWCDEWVPLTR-WFASDCNBSA-N 0 3 294.351 1.924 20 5 CDBDHN C[C@H](C[NH+]1CCCCC1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596078291 343226998 /nfs/dbraw/zinc/22/69/98/343226998.db2.gz VMVCBOGFQKMVHR-SNVBAGLBSA-N 0 3 280.328 1.982 20 5 CDBDHN Cc1cc(N[C@@H](CO)CN(C)C)c(F)cc1[N+](=O)[O-] ZINC000596245048 343286012 /nfs/dbraw/zinc/28/60/12/343286012.db2.gz WBVMZNCFQFZIOP-SECBINFHSA-N 0 3 271.292 1.377 20 5 CDBDHN C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000596255701 343275985 /nfs/dbraw/zinc/27/59/85/343275985.db2.gz QVXBBSQLXCGWAT-JTQLQIEISA-N 0 3 292.339 1.616 20 5 CDBDHN C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000596255701 343275988 /nfs/dbraw/zinc/27/59/88/343275988.db2.gz QVXBBSQLXCGWAT-JTQLQIEISA-N 0 3 292.339 1.616 20 5 CDBDHN CC(C)(C)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000596335847 343297761 /nfs/dbraw/zinc/29/77/61/343297761.db2.gz JMSQUXJDMGVXNV-SECBINFHSA-N 0 3 265.317 1.670 20 5 CDBDHN C[C@@H]1CCN[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000126642422 187253566 /nfs/dbraw/zinc/25/35/66/187253566.db2.gz RFPPPZSJAKSYIU-YPMHNXCESA-N 0 3 291.351 1.941 20 5 CDBDHN CCN[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602438544 344417273 /nfs/dbraw/zinc/41/72/73/344417273.db2.gz CVFCFZYWUZFNCG-SECBINFHSA-N 0 3 251.286 1.209 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C2CCC2)CC1 ZINC000602783963 344598254 /nfs/dbraw/zinc/59/82/54/344598254.db2.gz FTCRGPWFIAXSCL-UHFFFAOYSA-N 0 3 293.371 1.270 20 5 CDBDHN CN1CCC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073032616 362460714 /nfs/dbraw/zinc/46/07/14/362460714.db2.gz RJGPPLPLOPXQDY-UHFFFAOYSA-N 0 3 291.351 1.595 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C)[C@@H]1CCO ZINC000602882073 344633693 /nfs/dbraw/zinc/63/36/93/344633693.db2.gz IHDIHTUTYIMJNR-AAEUAGOBSA-N 0 3 296.371 1.583 20 5 CDBDHN CN(C)CCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000603159066 344723577 /nfs/dbraw/zinc/72/35/77/344723577.db2.gz ASZXHSKIDFLWSQ-UHFFFAOYSA-N 0 3 275.312 1.339 20 5 CDBDHN CN(C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000604510039 344897571 /nfs/dbraw/zinc/89/75/71/344897571.db2.gz KAIGOYMVWQGBDI-UHFFFAOYSA-N 0 3 293.283 1.198 20 5 CDBDHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000072871062 345378293 /nfs/dbraw/zinc/37/82/93/345378293.db2.gz GOVBIYIPCSFWSG-UWVGGRQHSA-N 0 3 277.324 1.782 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000088138742 346012385 /nfs/dbraw/zinc/01/23/85/346012385.db2.gz KTJPCSQYIYWLTP-UHFFFAOYSA-N 0 3 263.297 1.419 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCOCC3)CC2)cn1 ZINC000610480114 346290024 /nfs/dbraw/zinc/29/00/24/346290024.db2.gz WOQKNPUUYBMKBN-UHFFFAOYSA-N 0 3 292.339 1.291 20 5 CDBDHN CC(C)NCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766545 346368027 /nfs/dbraw/zinc/36/80/27/346368027.db2.gz LXWVRGUOGGNSIC-JTQLQIEISA-N 0 3 265.313 1.770 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCN(C3CC3)C2)s1 ZINC000226770104 346522581 /nfs/dbraw/zinc/52/25/81/346522581.db2.gz OTYFRVJSNLVFFV-MRVPVSSYSA-N 0 3 268.342 1.948 20 5 CDBDHN Cc1nc(N2CC[C@@H](OCCN(C)C)C2)ccc1[N+](=O)[O-] ZINC000611132831 346616942 /nfs/dbraw/zinc/61/69/42/346616942.db2.gz UEXUTMDAIMUHSJ-GFCCVEGCSA-N 0 3 294.355 1.455 20 5 CDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC000271281373 191048408 /nfs/dbraw/zinc/04/84/08/191048408.db2.gz CMWCDWJDISKRGE-NEPJUHHUSA-N 0 3 296.396 1.780 20 5 CDBDHN Cc1nn(C)c(NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000108079096 186202557 /nfs/dbraw/zinc/20/25/57/186202557.db2.gz FQZUBQWRHNVWLX-JTQLQIEISA-N 0 3 281.360 1.781 20 5 CDBDHN CC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000159606589 363052964 /nfs/dbraw/zinc/05/29/64/363052964.db2.gz NZINFAQQQUKAKB-LBPRGKRZSA-N 0 3 263.297 1.217 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CCC3)C2)n1 ZINC000123240051 187079692 /nfs/dbraw/zinc/07/96/92/187079692.db2.gz YQOVWJZJSJTPCJ-UHFFFAOYSA-N 0 3 250.302 1.667 20 5 CDBDHN CN[C@@H](C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000565215770 293563737 /nfs/dbraw/zinc/56/37/37/293563737.db2.gz MUHPAOKCWGRKPN-ZJUUUORDSA-N 0 3 265.313 1.688 20 5 CDBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292039822 198141936 /nfs/dbraw/zinc/14/19/36/198141936.db2.gz AKVHGQOOAGTOHT-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN CC(C)(CC(N)=O)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000227061038 356167324 /nfs/dbraw/zinc/16/73/24/356167324.db2.gz ZXXKILGAGNSWFE-UHFFFAOYSA-N 0 3 269.276 1.478 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H](CO)C1CCOCC1 ZINC000359868372 356429678 /nfs/dbraw/zinc/42/96/78/356429678.db2.gz GBIVTILDLHOTQQ-CYBMUJFWSA-N 0 3 280.324 1.472 20 5 CDBDHN C[C@@H](O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000145023221 356741156 /nfs/dbraw/zinc/74/11/56/356741156.db2.gz NUTHAYVFUGCZOZ-ZWNOBZJWSA-N 0 3 250.298 1.940 20 5 CDBDHN C[C@@H]1[C@H](O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000590762384 358511715 /nfs/dbraw/zinc/51/17/15/358511715.db2.gz SAGBZJZXTUODNY-ZWNOBZJWSA-N 0 3 266.297 1.429 20 5 CDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000283410499 357554751 /nfs/dbraw/zinc/55/47/51/357554751.db2.gz VRURJPZHHHQPLG-NSHDSACASA-N 0 3 293.323 1.644 20 5 CDBDHN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCCNCC1 ZINC000135214302 357782679 /nfs/dbraw/zinc/78/26/79/357782679.db2.gz AMMGVEQGPPRXKY-UHFFFAOYSA-N 0 3 267.260 1.169 20 5 CDBDHN C[C@@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000189558470 358025655 /nfs/dbraw/zinc/02/56/55/358025655.db2.gz HICNIBWNEDJRGQ-CHWSQXEVSA-N 0 3 293.367 1.482 20 5 CDBDHN Cc1c(CN2[C@@H](CO)CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000287298575 358379364 /nfs/dbraw/zinc/37/93/64/358379364.db2.gz IVZMTXMWONGOAI-CHWSQXEVSA-N 0 3 280.324 1.221 20 5 CDBDHN CC1(C)CN[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000591674549 358576081 /nfs/dbraw/zinc/57/60/81/358576081.db2.gz XKRBCDWKWKPOAC-LLVKDONJSA-N 0 3 263.297 1.209 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCCC[C@H]2CO)c1 ZINC000060856881 358848337 /nfs/dbraw/zinc/84/83/37/358848337.db2.gz VBLPZGAJQHEGCD-ZDUSSCGKSA-N 0 3 280.324 1.820 20 5 CDBDHN C[C@@H]1CSC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352815996 358940582 /nfs/dbraw/zinc/94/05/82/358940582.db2.gz MZCXEUSJFQIFDW-MWLCHTKSSA-N 0 3 295.364 1.874 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@]1(O)CCOC1 ZINC000539044172 358943589 /nfs/dbraw/zinc/94/35/89/358943589.db2.gz KFSLDTSDOGXKLH-RISCZKNCSA-N 0 3 280.324 1.705 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000274593319 358959046 /nfs/dbraw/zinc/95/90/46/358959046.db2.gz RHMCHGIRMCOJTQ-UHFFFAOYSA-N 0 3 267.285 1.354 20 5 CDBDHN CC(C)C[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015946 359276176 /nfs/dbraw/zinc/27/61/76/359276176.db2.gz ILIACEHECNEWQG-NSHDSACASA-N 0 3 265.313 1.584 20 5 CDBDHN CC(C)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339825282 359463232 /nfs/dbraw/zinc/46/32/32/359463232.db2.gz ZNVBWSFLAROPHB-ZDUSSCGKSA-N 0 3 282.344 1.538 20 5 CDBDHN CCCN[C@@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000296906535 200031008 /nfs/dbraw/zinc/03/10/08/200031008.db2.gz RETUZAHDQNOQMR-JTQLQIEISA-N 0 3 277.324 1.872 20 5 CDBDHN CN(C)CCN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000176805818 189009996 /nfs/dbraw/zinc/00/99/96/189009996.db2.gz DIZZTTAIXURVNS-UHFFFAOYSA-N 0 3 257.315 1.290 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000176375300 360254915 /nfs/dbraw/zinc/25/49/15/360254915.db2.gz WEANZEWFKXWZPX-SNVBAGLBSA-N 0 3 295.339 1.417 20 5 CDBDHN CC(C)OCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000169331688 360322236 /nfs/dbraw/zinc/32/22/36/360322236.db2.gz SGJBWWVOKGQHNY-GFCCVEGCSA-N 0 3 298.339 1.349 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000136048892 360675301 /nfs/dbraw/zinc/67/53/01/360675301.db2.gz IJDDNTZBVCXJJE-WDEREUQCSA-N 0 3 277.324 1.346 20 5 CDBDHN O=C1CCCN1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582072964 364067192 /nfs/dbraw/zinc/06/71/92/364067192.db2.gz ODGGIXDJGLCPEK-CYBMUJFWSA-N 0 3 289.335 1.794 20 5 CDBDHN NC(=O)C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000175202099 364644377 /nfs/dbraw/zinc/64/43/77/364644377.db2.gz PPUXXZBFTOQRKT-LBPRGKRZSA-N 0 3 277.324 1.682 20 5 CDBDHN CCN(CCOC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000299309175 364942461 /nfs/dbraw/zinc/94/24/61/364942461.db2.gz DBVBXANQMSYELM-UHFFFAOYSA-N 0 3 268.313 1.942 20 5 CDBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000457054845 365343517 /nfs/dbraw/zinc/34/35/17/365343517.db2.gz RAWFANBHHVGZEI-UHFFFAOYSA-N 0 3 280.328 1.527 20 5 CDBDHN CC(=O)c1ccc(NC[C@H]2CNCCN2C)c([N+](=O)[O-])c1 ZINC000420275617 244011544 /nfs/dbraw/zinc/01/15/44/244011544.db2.gz OGZVUYSRUMOLLU-GFCCVEGCSA-N 0 3 292.339 1.113 20 5 CDBDHN C[C@@]1(F)CNCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420331884 244096966 /nfs/dbraw/zinc/09/69/66/244096966.db2.gz MRQDTLZLGZGJHS-CQSZACIVSA-N 0 3 297.330 1.607 20 5 CDBDHN COc1ccc(NC(=O)/C=C/CN(C)C)cc1[N+](=O)[O-] ZINC000272832986 370210569 /nfs/dbraw/zinc/21/05/69/370210569.db2.gz FMWRQFSYCUPXCG-SNAWJCMRSA-N 0 3 279.296 1.660 20 5 CDBDHN Cn1ncc(CCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC000292966724 370464588 /nfs/dbraw/zinc/46/45/88/370464588.db2.gz LXGZKZALDSFAPC-UHFFFAOYSA-N 0 3 275.312 1.446 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)C1 ZINC000192559389 372016535 /nfs/dbraw/zinc/01/65/35/372016535.db2.gz YHMMKOUVHJZYAX-LBPRGKRZSA-N 0 3 293.371 1.794 20 5 CDBDHN Cc1nc(N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000301666776 374187559 /nfs/dbraw/zinc/18/75/59/374187559.db2.gz XBNCRBCECGDBQD-UHFFFAOYSA-N 0 3 250.302 1.440 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCN(C)CC1 ZINC000298851334 374235086 /nfs/dbraw/zinc/23/50/86/374235086.db2.gz KYEMFUOYSCEAFH-UHFFFAOYSA-N 0 3 266.301 1.089 20 5 CDBDHN CCC[C@H](NC[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154318860 374696380 /nfs/dbraw/zinc/69/63/80/374696380.db2.gz QNUSOKKMVAHSME-GJZGRUSLSA-N 0 3 295.383 1.948 20 5 CDBDHN Cc1c([C@H](C)NC[C@H](O)CN(C)C)cccc1[N+](=O)[O-] ZINC000154310261 374695152 /nfs/dbraw/zinc/69/51/52/374695152.db2.gz YZIPYLNCVBQTDV-RYUDHWBXSA-N 0 3 281.356 1.476 20 5 CDBDHN CN1CC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000449516722 374816670 /nfs/dbraw/zinc/81/66/70/374816670.db2.gz HJUFPGQLJKUWIT-MNOVXSKESA-N 0 3 267.354 1.792 20 5 CDBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000331410244 374950594 /nfs/dbraw/zinc/95/05/94/374950594.db2.gz PFZPPMIVUQKHLO-VIFPVBQESA-N 0 3 293.327 1.065 20 5 CDBDHN CCN(CCOCCO)Cc1cccc([N+](=O)[O-])c1C ZINC000282219159 375073514 /nfs/dbraw/zinc/07/35/14/375073514.db2.gz YOIHVJKEMFOCCQ-UHFFFAOYSA-N 0 3 282.340 1.734 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CN(C)C ZINC000351199032 375278049 /nfs/dbraw/zinc/27/80/49/375278049.db2.gz HCTGPNDKCUWTPV-SNVBAGLBSA-N 0 3 280.328 1.975 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCCOCCO ZINC000227333300 375504109 /nfs/dbraw/zinc/50/41/09/375504109.db2.gz SACMKAKPTGNDAO-UHFFFAOYSA-N 0 3 288.731 1.737 20 5 CDBDHN COc1ccc(CNCCN2CCC2)cc1[N+](=O)[O-] ZINC000344841752 375564391 /nfs/dbraw/zinc/56/43/91/375564391.db2.gz BLKBZGNJFSFUID-UHFFFAOYSA-N 0 3 265.313 1.399 20 5 CDBDHN C[C@H]1CCC[C@H](CO)N1CCn1cc([N+](=O)[O-])cn1 ZINC000305193708 375567419 /nfs/dbraw/zinc/56/74/19/375567419.db2.gz DHNMZJKKMRTHJD-WDEREUQCSA-N 0 3 268.317 1.027 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000426811227 247065901 /nfs/dbraw/zinc/06/59/01/247065901.db2.gz SGDFQQFWICFFMZ-GHMZBOCLSA-N 0 3 264.329 1.950 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000426811228 247067121 /nfs/dbraw/zinc/06/71/21/247067121.db2.gz SGDFQQFWICFFMZ-PHIMTYICSA-N 0 3 264.329 1.950 20 5 CDBDHN C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000228053553 375679448 /nfs/dbraw/zinc/67/94/48/375679448.db2.gz CJQWVKXCZAWWOX-WDMOLILDSA-N 0 3 280.324 1.785 20 5 CDBDHN CN1CCC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000344599323 376639808 /nfs/dbraw/zinc/63/98/08/376639808.db2.gz DSMNZNUNTGQCSR-WXJAXGNASA-N 0 3 289.335 1.818 20 5 CDBDHN Cc1nc(NC2CCN(C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000296672699 376705752 /nfs/dbraw/zinc/70/57/52/376705752.db2.gz ZOVAGAXBYACDDU-UHFFFAOYSA-N 0 3 277.328 1.732 20 5 CDBDHN O=C1CCC[C@@H](CNC/C=C\c2ccccc2[N+](=O)[O-])N1 ZINC000433189849 248004970 /nfs/dbraw/zinc/00/49/70/248004970.db2.gz DZEMHLSFRZVQAM-AGLBCWCQSA-N 0 3 289.335 1.866 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000357405701 377342911 /nfs/dbraw/zinc/34/29/11/377342911.db2.gz BQBTYOGGTUSEQK-NXEZZACHSA-N 0 3 280.328 1.146 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@]1(CCO)CCOC1 ZINC000278534968 194031423 /nfs/dbraw/zinc/03/14/23/194031423.db2.gz VXNOVAYVAQCIJY-SJDLMVEWSA-N 0 3 292.335 1.739 20 5 CDBDHN COc1cc(C[NH2+]CCC[C@H](C)O)c([N+](=O)[O-])cc1[O-] ZINC000278574058 194050503 /nfs/dbraw/zinc/05/05/03/194050503.db2.gz FAMREFJHEWBXFO-VIFPVBQESA-N 0 3 284.312 1.560 20 5 CDBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCSC1 ZINC000267304391 190319900 /nfs/dbraw/zinc/31/99/00/190319900.db2.gz MFBPXZJQQDYVLJ-GFCCVEGCSA-N 0 3 298.368 1.090 20 5 CDBDHN CCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450538083 251329082 /nfs/dbraw/zinc/32/90/82/251329082.db2.gz YFMIMPKWNZSKRG-NSHDSACASA-N 0 3 279.344 1.401 20 5 CDBDHN CC(C)N1CC[C@H](N(C)c2ncc([N+](=O)[O-])s2)C1 ZINC000450951950 390583608 /nfs/dbraw/zinc/58/36/08/390583608.db2.gz GWMRQCZIPFBSEG-VIFPVBQESA-N 0 3 270.358 1.970 20 5 CDBDHN CO[C@@H]1[C@H](C)[C@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451506822 390629188 /nfs/dbraw/zinc/62/91/88/390629188.db2.gz WCMRWGFNMVDWRE-DVVUODLYSA-N 0 3 282.344 1.477 20 5 CDBDHN CCO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000451537909 390630568 /nfs/dbraw/zinc/63/05/68/390630568.db2.gz IWTJGPCRFKZKJY-VXGBXAGGSA-N 0 3 282.344 1.538 20 5 CDBDHN COCCNCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000158103642 390657475 /nfs/dbraw/zinc/65/74/75/390657475.db2.gz ZALJGRFAVXEFNB-UHFFFAOYSA-N 0 3 273.720 1.896 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286850029 390809361 /nfs/dbraw/zinc/80/93/61/390809361.db2.gz AXUPUGXNQZQUFL-JTQLQIEISA-N 0 3 265.313 1.204 20 5 CDBDHN C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000189728861 391793444 /nfs/dbraw/zinc/79/34/44/391793444.db2.gz KSZBBIGRRKDHLI-ZWNOBZJWSA-N 0 3 250.298 1.798 20 5 CDBDHN CCC[C@H](C)[C@@H](CO)NCc1c([N+](=O)[O-])ncn1C ZINC000574210238 391876927 /nfs/dbraw/zinc/87/69/27/391876927.db2.gz PLQCQIQCBTVTFL-VHSXEESVSA-N 0 3 270.333 1.215 20 5 CDBDHN CN(C)C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000416303755 391985151 /nfs/dbraw/zinc/98/51/51/391985151.db2.gz SIXXGDYKXJQYQQ-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN COc1nccc(CNCCc2cccc([N+](=O)[O-])c2)n1 ZINC000449210913 392125147 /nfs/dbraw/zinc/12/51/47/392125147.db2.gz SJFQICQJHWGBIJ-UHFFFAOYSA-N 0 3 288.307 1.726 20 5 CDBDHN CC(C)[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000488053063 392212483 /nfs/dbraw/zinc/21/24/83/392212483.db2.gz OEHCYGKERJEMKV-CYBMUJFWSA-N 0 3 281.360 1.063 20 5 CDBDHN CSc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000192807614 392389212 /nfs/dbraw/zinc/38/92/12/392389212.db2.gz MJSXSRACRNEKNF-UHFFFAOYSA-N 0 3 283.353 1.608 20 5 CDBDHN Cc1nc(N2CCN(C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000348372666 392874325 /nfs/dbraw/zinc/87/43/25/392874325.db2.gz ZESZNJPRJBISDJ-JTQLQIEISA-N 0 3 264.329 1.829 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H]2CCO)cc1 ZINC000301905520 393012541 /nfs/dbraw/zinc/01/25/41/393012541.db2.gz RJLNJMFONXYBCZ-LBPRGKRZSA-N 0 3 250.298 1.942 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)C2CCC2)c1 ZINC000316649735 393059814 /nfs/dbraw/zinc/05/98/14/393059814.db2.gz VRGFVHQXXADASN-CYBMUJFWSA-N 0 3 250.298 1.845 20 5 CDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CNCCC1(F)F ZINC000449654710 393137618 /nfs/dbraw/zinc/13/76/18/393137618.db2.gz FKKFRTGECPIAFO-LLVKDONJSA-N 0 3 299.277 1.251 20 5 CDBDHN CN(C)C/C=C\C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000491847160 393208811 /nfs/dbraw/zinc/20/88/11/393208811.db2.gz QSENZQKQJAIDJA-ARJAWSKDSA-N 0 3 292.339 1.241 20 5 CDBDHN C[C@@H]1CCN[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000423227168 397602842 /nfs/dbraw/zinc/60/28/42/397602842.db2.gz URUCMIYJZVCLRW-DGCLKSJQSA-N 0 3 291.351 1.642 20 5 CDBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000106790853 147243672 /nfs/dbraw/zinc/24/36/72/147243672.db2.gz XWMJEPRKLROHFV-JTQLQIEISA-N 0 3 293.323 1.935 20 5 CDBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCCN1C ZINC000343509305 152206123 /nfs/dbraw/zinc/20/61/23/152206123.db2.gz HZCMSRRISOFDDD-ONGXEEELSA-N 0 3 250.302 1.884 20 5 CDBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343585033 152233320 /nfs/dbraw/zinc/23/33/20/152233320.db2.gz CULNFEDJYUOFNV-JTQLQIEISA-N 0 3 280.328 1.527 20 5 CDBDHN CC1CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000343725389 152280768 /nfs/dbraw/zinc/28/07/68/152280768.db2.gz JZPFICKKXDTKPH-UHFFFAOYSA-N 0 3 298.364 1.757 20 5 CDBDHN CC[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000035603894 172291873 /nfs/dbraw/zinc/29/18/73/172291873.db2.gz XUPUAZVRADUJFS-JTQLQIEISA-N 0 3 254.286 1.464 20 5 CDBDHN CC[C@H](O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285274973 196238037 /nfs/dbraw/zinc/23/80/37/196238037.db2.gz QZVMAGPDIPXAAK-KOLCDFICSA-N 0 3 267.329 1.989 20 5 CDBDHN CO[C@@H](C)CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569988 196330839 /nfs/dbraw/zinc/33/08/39/196330839.db2.gz HOZUTKBKDVREFX-NWDGAFQWSA-N 0 3 298.339 1.301 20 5 CDBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000044537833 175200216 /nfs/dbraw/zinc/20/02/16/175200216.db2.gz JSRHCLZKSLTRKU-SECBINFHSA-N 0 3 251.290 1.139 20 5 CDBDHN COCC(C)(C)NCCOc1ccccc1[N+](=O)[O-] ZINC000076494046 177028615 /nfs/dbraw/zinc/02/86/15/177028615.db2.gz AVJDKZDOMCBTAZ-UHFFFAOYSA-N 0 3 268.313 1.988 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000450782551 274118351 /nfs/dbraw/zinc/11/83/51/274118351.db2.gz YDYBHLJTKSZIOD-IINYFYTJSA-N 0 3 277.324 1.744 20 5 CDBDHN CN1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000046341332 277052553 /nfs/dbraw/zinc/05/25/53/277052553.db2.gz NSUBEUQRWAJZFS-UHFFFAOYSA-N 0 3 253.277 1.876 20 5 CDBDHN CS[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1N(C)C ZINC000270343257 278167640 /nfs/dbraw/zinc/16/76/40/278167640.db2.gz FNBZEDLECAUWFZ-UWVGGRQHSA-N 0 3 299.400 1.119 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCNC1=O ZINC000449108084 278298755 /nfs/dbraw/zinc/29/87/55/278298755.db2.gz PNKDBYYWLPIZAO-JQWIXIFHSA-N 0 3 277.324 1.394 20 5 CDBDHN NC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC000237905459 280192891 /nfs/dbraw/zinc/19/28/91/280192891.db2.gz IIQWFLLDQRAZRY-UHFFFAOYSA-N 0 3 289.335 1.751 20 5 CDBDHN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000395296324 280689581 /nfs/dbraw/zinc/68/95/81/280689581.db2.gz HTIYGBFQKZCTOO-KOLCDFICSA-N 0 3 268.313 1.852 20 5 CDBDHN CCOC[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000069277494 520100663 /nfs/dbraw/zinc/10/06/63/520100663.db2.gz SZYYXRUIOMDKHM-LBPRGKRZSA-N 0 3 254.286 1.082 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000157333192 521655135 /nfs/dbraw/zinc/65/51/35/521655135.db2.gz YELPVDPEBACSAY-UHFFFAOYSA-N 0 3 294.355 1.591 20 5 CDBDHN COC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000062727268 523058091 /nfs/dbraw/zinc/05/80/91/523058091.db2.gz ZJSPLUWVKGINCZ-UHFFFAOYSA-N 0 3 266.297 1.632 20 5 CDBDHN C[C@H]1C[C@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000340934712 524935287 /nfs/dbraw/zinc/93/52/87/524935287.db2.gz WVUYNIGECCNQGX-JQWIXIFHSA-N 0 3 266.297 1.429 20 5 CDBDHN CN1CCC(ONC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000773549731 575823664 /nfs/dbraw/zinc/82/36/64/575823664.db2.gz LPKDWNMMBKMXPD-UHFFFAOYSA-N 0 3 279.296 1.350 20 5 CDBDHN Cc1cc(F)cc(C(=O)NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000753092645 577145072 /nfs/dbraw/zinc/14/50/72/577145072.db2.gz FQAMTVKJPRTROA-SNVBAGLBSA-N 0 3 295.314 1.724 20 5 CDBDHN Cc1cc(F)ncc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000893133883 617402799 /nfs/dbraw/zinc/40/27/99/617402799.db2.gz GUYHUDWVZFMOHT-UHFFFAOYSA-N 0 3 279.275 1.424 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]CC[C@H](C)OC)c1[N+](=O)[O-] ZINC000892807164 617770791 /nfs/dbraw/zinc/77/07/91/617770791.db2.gz QMWKUJYUBNDLEW-VIFPVBQESA-N 0 3 284.312 1.824 20 5 CDBDHN Cc1c(NC(=O)CCN2CC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000934021247 617861216 /nfs/dbraw/zinc/86/12/16/617861216.db2.gz MFVHGCSPACSIFU-LLVKDONJSA-N 0 3 293.323 1.298 20 5 CDBDHN CN1C[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@H]2C1 ZINC000893941931 618205713 /nfs/dbraw/zinc/20/57/13/618205713.db2.gz XPBGCGXBULUPAU-BDAKNGLRSA-N 0 3 293.352 1.444 20 5 CDBDHN COc1cccc(C2(CNCC[N+](=O)[O-])CC2)c1 ZINC000905260284 626709976 /nfs/dbraw/zinc/70/99/76/626709976.db2.gz JVLDIQHPSMHAOO-UHFFFAOYSA-N 0 3 250.298 1.593 20 5 CDBDHN O=[N+]([O-])CCNC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000905366743 626785864 /nfs/dbraw/zinc/78/58/64/626785864.db2.gz HRIGZANCORMCJG-VIFPVBQESA-N 0 3 292.257 1.121 20 5 CDBDHN CC[C@@H](CO)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000915875424 631848544 /nfs/dbraw/zinc/84/85/44/631848544.db2.gz JKSYYKXNRAUDSY-UWVGGRQHSA-N 0 3 281.312 1.282 20 5 CDBDHN CN(CCCN(C)Cc1ccco1)CC[N+](=O)[O-] ZINC000930476078 696005986 /nfs/dbraw/zinc/00/59/86/696005986.db2.gz OAJLMYKLYOPCJX-UHFFFAOYSA-N 0 3 255.318 1.310 20 5 CDBDHN CCOC(=O)C1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000842802181 695441852 /nfs/dbraw/zinc/44/18/52/695441852.db2.gz SECHYQWHAZFABK-SECBINFHSA-N 0 3 273.285 1.318 20 5 CDBDHN CC(COC(=O)/C=C/c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813102771 695762335 /nfs/dbraw/zinc/76/23/35/695762335.db2.gz VGSCQGJBSQVNIN-HYYFJVDXSA-N 0 3 279.248 1.637 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](CO)C1 ZINC000923008644 695781494 /nfs/dbraw/zinc/78/14/94/695781494.db2.gz URFOMVNUMIQVDH-UMSPYCQHSA-N 0 3 280.324 1.854 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](O)C1 ZINC000876588640 695838367 /nfs/dbraw/zinc/83/83/67/695838367.db2.gz AYMTZRBXPHVNOX-NSHDSACASA-N 0 3 250.298 1.778 20 5 CDBDHN C[C@@H](Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC001170571082 1162958233 /nfs/dbraw/zinc/95/82/33/1162958233.db2.gz XYMIIRXCWPMEMP-RNCFNFMXSA-N 0 3 290.323 1.865 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000401270067 1186409142 /nfs/dbraw/zinc/40/91/42/1186409142.db2.gz UITSEDFXDVWOCQ-VWYCJHECSA-N 0 3 277.324 1.806 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccns2)cc1 ZINC000404397428 1186514418 /nfs/dbraw/zinc/51/44/18/1186514418.db2.gz PIJQYDGIXLWQGJ-GFCCVEGCSA-N 0 3 279.321 1.875 20 5 CDBDHN CC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021747853 723713054 /nfs/dbraw/zinc/71/30/54/723713054.db2.gz DFKNTYGMOZQEHQ-TXEJJXNPSA-N 0 3 263.297 1.352 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000229934678 724022856 /nfs/dbraw/zinc/02/28/56/724022856.db2.gz LIRTWGLBUCICAX-SNVBAGLBSA-N 0 3 279.275 1.784 20 5 CDBDHN CCO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000932973963 725457423 /nfs/dbraw/zinc/45/74/23/725457423.db2.gz YJCGKJRKVZPQEF-NSHDSACASA-N 0 3 268.317 1.211 20 5 CDBDHN CC(COC(=O)c1cc2c([nH]c1=O)CCCC2=O)[N+](=O)[O-] ZINC000813112939 724765128 /nfs/dbraw/zinc/76/51/28/724765128.db2.gz MJABCVQAEVDUAI-ZETCQYMHSA-N 0 3 294.263 1.128 20 5 CDBDHN CCOCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000835457035 723960203 /nfs/dbraw/zinc/96/02/03/723960203.db2.gz WDJVGGJBVCLZHT-ZETCQYMHSA-N 0 3 288.325 1.810 20 5 CDBDHN CC(C)[C@@H](NCC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000930437862 724137689 /nfs/dbraw/zinc/13/76/89/724137689.db2.gz RVBQWIYISSREAI-OLZOCXBDSA-N 0 3 252.314 1.611 20 5 CDBDHN C[C@@H](CCO)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446029 725246102 /nfs/dbraw/zinc/24/61/02/725246102.db2.gz BKBPPJHDOQVROL-GWCFXTLKSA-N 0 3 268.313 1.331 20 5 CDBDHN CCN1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886097976 725330738 /nfs/dbraw/zinc/33/07/38/725330738.db2.gz HNDWTHCZYZMFNS-RYUDHWBXSA-N 0 3 278.356 1.904 20 5 CDBDHN Cc1cc2c[nH]nc2c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813100450 725421130 /nfs/dbraw/zinc/42/11/30/725421130.db2.gz SLJDXLHLSPWECG-QMMMGPOBSA-N 0 3 263.253 1.693 20 5 CDBDHN CCN1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2C)C[C@H]1C ZINC001121298562 912955613 /nfs/dbraw/zinc/95/56/13/912955613.db2.gz ZIAUBABBGJJHMC-VWYCJHECSA-N 0 3 296.375 1.072 20 5 CDBDHN CNc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C)C1 ZINC001167272785 895016740 /nfs/dbraw/zinc/01/67/40/895016740.db2.gz DCPVNURCBCQRLH-QMMMGPOBSA-N 0 3 251.290 1.148 20 5 CDBDHN NCc1ccnn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001162593615 922792064 /nfs/dbraw/zinc/79/20/64/922792064.db2.gz MCCRNORNZMDKCY-UHFFFAOYSA-N 0 3 252.661 1.893 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3ncccc3C2)C1 ZINC001169034530 927640157 /nfs/dbraw/zinc/64/01/57/927640157.db2.gz HKBXNNWRIFSLDO-DGCLKSJQSA-N 0 3 261.325 1.885 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3ccncc3C2)C1 ZINC001169037988 927646721 /nfs/dbraw/zinc/64/67/21/927646721.db2.gz UUOUXVYFWJIMBA-BXUZGUMPSA-N 0 3 261.325 1.885 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCOC[C@H]2C2CC2)C1 ZINC001169047860 927667049 /nfs/dbraw/zinc/66/70/49/927667049.db2.gz RXPBESVLJRKDPF-WXHSDQCUSA-N 0 3 254.330 1.543 20 5 CDBDHN Cc1cc(Cl)nc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001154907056 937602731 /nfs/dbraw/zinc/60/27/31/937602731.db2.gz SYPAZGKMCLYERN-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN NCc1ccnn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001155125594 937639375 /nfs/dbraw/zinc/63/93/75/937639375.db2.gz SIOULGKYNNWYLF-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)n1 ZINC001123042862 936107130 /nfs/dbraw/zinc/10/71/30/936107130.db2.gz SMUMPZFHZXDCDO-ZCFIWIBFSA-N 0 3 274.660 1.566 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCCN(C)[C@@H]3C2)n1 ZINC001157264546 938472029 /nfs/dbraw/zinc/47/20/29/938472029.db2.gz FGDGLYUIUAPPHR-CMPLNLGQSA-N 0 3 277.328 1.224 20 5 CDBDHN NCc1ccc(Nc2ncc([N+](=O)[O-])cc2N)cn1 ZINC001160402294 938784702 /nfs/dbraw/zinc/78/47/02/938784702.db2.gz NHUKULKJRSAVDW-UHFFFAOYSA-N 0 3 260.257 1.169 20 5 CDBDHN COc1nc(N2CCN(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001165087873 939508194 /nfs/dbraw/zinc/50/81/94/939508194.db2.gz JMMDURBZAXHKGQ-UHFFFAOYSA-N 0 3 294.355 1.919 20 5 CDBDHN CN(C)C1(C)CN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001165117308 939511735 /nfs/dbraw/zinc/51/17/35/939511735.db2.gz DSMMYBALDLYTAR-UHFFFAOYSA-N 0 3 270.720 1.784 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)nc(N2CC[C@@H]3NCCO[C@H]3C2)c1 ZINC001165269080 939537196 /nfs/dbraw/zinc/53/71/96/939537196.db2.gz CJMWASWWZYUBGH-UWVGGRQHSA-N 0 3 298.730 1.210 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1ncc3c1CCNC3)C2 ZINC001254595022 947544994 /nfs/dbraw/zinc/54/49/94/947544994.db2.gz UWCADAQTNYDCQW-AWEZNQCLSA-N 0 3 284.319 1.777 20 5 CDBDHN N[C@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1F ZINC001246523332 948222759 /nfs/dbraw/zinc/22/27/59/948222759.db2.gz AXKZDAAVZRAMJL-YUELXQCFSA-N 0 3 293.342 1.823 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1CN(C)CCN1C ZINC001515986014 969925201 /nfs/dbraw/zinc/92/52/01/969925201.db2.gz BJMJNDHPIRJHHU-SWLSCSKDSA-N 0 3 292.383 1.949 20 5 CDBDHN CN(C(=O)[C@@H](N)C(C)(C)C)c1ccc([N+](=O)[O-])nc1 ZINC001573851679 1170804448 /nfs/dbraw/zinc/80/44/48/1170804448.db2.gz XWJQMTHMHZPRCW-SNVBAGLBSA-N 0 3 266.301 1.326 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](N2CCCC2)C1 ZINC000608905320 342084187 /nfs/dbraw/zinc/08/41/87/342084187.db2.gz CCVOCIJDKQAFAS-JTQLQIEISA-N 0 3 278.312 1.233 20 5 CDBDHN COc1ccc(CN[C@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000609287704 342100294 /nfs/dbraw/zinc/10/02/94/342100294.db2.gz UWCLCTYSMQZGLH-SNVBAGLBSA-N 0 3 291.311 1.373 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])cc1F ZINC000591147232 342618482 /nfs/dbraw/zinc/61/84/82/342618482.db2.gz YMGLWJCJJOWABL-JTQLQIEISA-N 0 3 282.319 1.907 20 5 CDBDHN CNc1ccc(C(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000592472613 342698421 /nfs/dbraw/zinc/69/84/21/342698421.db2.gz JTTOFLKHRPLVFZ-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593708458 342825332 /nfs/dbraw/zinc/82/53/32/342825332.db2.gz XERQCJCNVYYUTB-VIFPVBQESA-N 0 3 283.303 1.343 20 5 CDBDHN O=C1CCC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])N1 ZINC000594503987 342914317 /nfs/dbraw/zinc/91/43/17/342914317.db2.gz LCWGXDSZMXCTCP-GXFFZTMASA-N 0 3 289.335 1.840 20 5 CDBDHN Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000050225470 342285829 /nfs/dbraw/zinc/28/58/29/342285829.db2.gz BACUMCPFNQKBHV-LLVKDONJSA-N 0 3 296.352 1.312 20 5 CDBDHN Nc1nc(SCCN2CCCCC2)ncc1[N+](=O)[O-] ZINC000594900962 342970948 /nfs/dbraw/zinc/97/09/48/342970948.db2.gz OFZAPVNXGINXFJ-UHFFFAOYSA-N 0 3 283.357 1.375 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)CN(C)C ZINC000595019574 342996047 /nfs/dbraw/zinc/99/60/47/342996047.db2.gz RJUUKHFFNICSER-ZYHUDNBSSA-N 0 3 297.355 1.177 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595260770 343014252 /nfs/dbraw/zinc/01/42/52/343014252.db2.gz KTNLLNTZJOLFCF-VXGBXAGGSA-N 0 3 295.314 1.723 20 5 CDBDHN C[C@H](CN1CCC(C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000596489876 343330022 /nfs/dbraw/zinc/33/00/22/343330022.db2.gz XGOWBBLZRMAPME-SNVBAGLBSA-N 0 3 294.359 1.330 20 5 CDBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)cc1 ZINC000091454566 342403620 /nfs/dbraw/zinc/40/36/20/342403620.db2.gz DPHRKWVPNMAKNY-UHFFFAOYSA-N 0 3 279.340 1.854 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCOC[C@H]1O ZINC000599010598 343939563 /nfs/dbraw/zinc/93/95/63/343939563.db2.gz BNKGBSKZRVKACB-MOBDVTQCSA-N 0 3 278.308 1.347 20 5 CDBDHN CCN[C@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602444620 344431792 /nfs/dbraw/zinc/43/17/92/344431792.db2.gz JOHAYKFSMNILBA-SNVBAGLBSA-N 0 3 265.313 1.252 20 5 CDBDHN CCN[C@@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000602436896 344416219 /nfs/dbraw/zinc/41/62/19/344416219.db2.gz AFPCDZYWMPXQNC-JTQLQIEISA-N 0 3 280.328 1.121 20 5 CDBDHN CCN[C@@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602442276 344418231 /nfs/dbraw/zinc/41/82/31/344418231.db2.gz KEBSHBPPWJOOBA-ZJUUUORDSA-N 0 3 265.313 1.770 20 5 CDBDHN C[C@@H](CN(C)C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602657068 344518961 /nfs/dbraw/zinc/51/89/61/344518961.db2.gz WDRFWFUXIFCJDA-VIFPVBQESA-N 0 3 278.312 1.776 20 5 CDBDHN CC[C@@H](O)[C@@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780777 344596380 /nfs/dbraw/zinc/59/63/80/344596380.db2.gz RTIOFZZNQLDDEM-QWHCGFSZSA-N 0 3 296.371 1.725 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CCC2)C1 ZINC000602788841 344601240 /nfs/dbraw/zinc/60/12/40/344601240.db2.gz RWNVODGTYDUTMM-UHFFFAOYSA-N 0 3 264.329 1.976 20 5 CDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726047 362511356 /nfs/dbraw/zinc/51/13/56/362511356.db2.gz GMQWNAVPPVRSMH-LLVKDONJSA-N 0 3 265.313 1.488 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H](O)C1CC1)OCCO2 ZINC000609620502 345979346 /nfs/dbraw/zinc/97/93/46/345979346.db2.gz GNLZSFTXSGMNIJ-GFCCVEGCSA-N 0 3 294.307 1.227 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000212553812 346118877 /nfs/dbraw/zinc/11/88/77/346118877.db2.gz BJDSNBBMQMHUGV-PKJDGDQJSA-N 0 3 289.335 1.817 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CCSC1)OCCO2 ZINC000611464393 346793344 /nfs/dbraw/zinc/79/33/44/346793344.db2.gz LFWYQCOASWWJIV-SNVBAGLBSA-N 0 3 296.348 1.961 20 5 CDBDHN CC(C)[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000312157684 347675832 /nfs/dbraw/zinc/67/58/32/347675832.db2.gz JHVKXHFJQGCPAD-CYBMUJFWSA-N 0 3 275.312 1.890 20 5 CDBDHN COc1c(C(=O)NC(C)(C)CN(C)C)cccc1[N+](=O)[O-] ZINC000457250456 365923499 /nfs/dbraw/zinc/92/34/99/365923499.db2.gz VETPQSMRDXCJKS-UHFFFAOYSA-N 0 3 295.339 1.673 20 5 CDBDHN COc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000086467867 179299326 /nfs/dbraw/zinc/29/93/26/179299326.db2.gz PQSMLUVVHGSMFN-ZJUUUORDSA-N 0 3 293.323 1.426 20 5 CDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067614212 349029976 /nfs/dbraw/zinc/02/99/76/349029976.db2.gz QOQQLZFAHIFFHA-UHFFFAOYSA-N 0 3 265.313 1.585 20 5 CDBDHN Cc1ccc(NC(=O)C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000091299195 180125892 /nfs/dbraw/zinc/12/58/92/180125892.db2.gz OFCNTQYSDOUKJY-NSHDSACASA-N 0 3 279.296 1.220 20 5 CDBDHN CCC[C@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353470897 363040114 /nfs/dbraw/zinc/04/01/14/363040114.db2.gz LLFLZAPSASRRLR-JTQLQIEISA-N 0 3 281.312 1.347 20 5 CDBDHN CN(C)C(=O)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000411931922 363382461 /nfs/dbraw/zinc/38/24/61/363382461.db2.gz IKTOZWABFVBOJE-LBPRGKRZSA-N 0 3 277.324 1.505 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2CC[C@](O)(C3CC3)C2)c1 ZINC000365819090 357496938 /nfs/dbraw/zinc/49/69/38/357496938.db2.gz IJDHVBVWPSRBFR-CQSZACIVSA-N 0 3 262.309 1.942 20 5 CDBDHN CCOC(=O)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000185794867 357577422 /nfs/dbraw/zinc/57/74/22/357577422.db2.gz OBOVPEWPBBHVIN-GFCCVEGCSA-N 0 3 293.323 1.915 20 5 CDBDHN CC(C)CN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596055332 358655923 /nfs/dbraw/zinc/65/59/23/358655923.db2.gz WPIMJSPSNKUOSF-UHFFFAOYSA-N 0 3 280.328 1.473 20 5 CDBDHN O=C(COc1ccc([N+](=O)[O-])cc1)NCCN1CCCC1 ZINC000072937354 359082457 /nfs/dbraw/zinc/08/24/57/359082457.db2.gz LQAFMOOKSIDVEG-UHFFFAOYSA-N 0 3 293.323 1.186 20 5 CDBDHN C[C@H](C[S@@](C)=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570175354 359289729 /nfs/dbraw/zinc/28/97/29/359289729.db2.gz IXCFWATWAGOZET-DPXNYUHVSA-N 0 3 282.365 1.939 20 5 CDBDHN CC[C@@H]1CN(CCNCc2ccccc2[N+](=O)[O-])CCO1 ZINC000487149695 359320689 /nfs/dbraw/zinc/32/06/89/359320689.db2.gz FZTJGABPAILJGK-CQSZACIVSA-N 0 3 293.367 1.795 20 5 CDBDHN CC1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000177308049 189043170 /nfs/dbraw/zinc/04/31/70/189043170.db2.gz DLXCXRCANVTPHM-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN Cc1c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000408461879 361145667 /nfs/dbraw/zinc/14/56/67/361145667.db2.gz BMAXSWZPKOWXAX-RISCZKNCSA-N 0 3 289.335 1.679 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@]1(CO)CCOC1 ZINC000184197309 189379363 /nfs/dbraw/zinc/37/93/63/189379363.db2.gz IGLVXPRHQKAPMT-KQIUPUNMSA-N 0 3 278.308 1.349 20 5 CDBDHN O=[N+]([O-])c1ccsc1NCCCN1CCC(O)CC1 ZINC000301976904 201284603 /nfs/dbraw/zinc/28/46/03/201284603.db2.gz CZQYPFULHBOGOB-UHFFFAOYSA-N 0 3 285.369 1.915 20 5 CDBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000580339856 363902011 /nfs/dbraw/zinc/90/20/11/363902011.db2.gz JHEJEOXKIWTYCD-WDEREUQCSA-N 0 3 264.329 1.909 20 5 CDBDHN Cc1c(CN2C[C@@H](C)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000351795635 364009349 /nfs/dbraw/zinc/00/93/49/364009349.db2.gz OCGROWQYHJWIAX-RNCFNFMXSA-N 0 3 250.298 1.716 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000295933393 370773538 /nfs/dbraw/zinc/77/35/38/370773538.db2.gz ATORPASCXVEJBC-SECBINFHSA-N 0 3 275.308 1.624 20 5 CDBDHN Cc1ccc(CN[C@@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414562929 241260830 /nfs/dbraw/zinc/26/08/30/241260830.db2.gz UEWPTQQVNWRRON-KBPBESRZSA-N 0 3 294.351 1.780 20 5 CDBDHN CCC[C@@H](N[C@@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000295987876 370821750 /nfs/dbraw/zinc/82/17/50/370821750.db2.gz PIVAKUKVQCLXBE-MGPQQGTHSA-N 0 3 280.324 1.785 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000130530944 367284750 /nfs/dbraw/zinc/28/47/50/367284750.db2.gz BWBMETPKHQNZHR-UFBFGSQYSA-N 0 3 281.312 1.915 20 5 CDBDHN CN(C)C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000417129909 242330716 /nfs/dbraw/zinc/33/07/16/242330716.db2.gz AHCSEMIBYUSBOG-UHFFFAOYSA-N 0 3 278.312 1.811 20 5 CDBDHN CN(C)C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000276069594 193203979 /nfs/dbraw/zinc/20/39/79/193203979.db2.gz WCKBNPVNRHQYRK-UHFFFAOYSA-N 0 3 283.353 1.870 20 5 CDBDHN COC(=O)c1cnc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000276574578 193385765 /nfs/dbraw/zinc/38/57/65/193385765.db2.gz NPPLGYIYGYRHGR-UHFFFAOYSA-N 0 3 294.311 1.283 20 5 CDBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000298441200 373601606 /nfs/dbraw/zinc/60/16/06/373601606.db2.gz HJNPDAOJYPOYNX-VIFPVBQESA-N 0 3 279.296 1.402 20 5 CDBDHN C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])N(C)C ZINC000298878043 374248058 /nfs/dbraw/zinc/24/80/58/374248058.db2.gz XNFNJXGWYSVVCU-NSHDSACASA-N 0 3 295.339 1.430 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525676568 374315307 /nfs/dbraw/zinc/31/53/07/374315307.db2.gz UPRCNBMWTIJWSY-UHFFFAOYSA-N 0 3 282.344 1.347 20 5 CDBDHN C[C@@H](NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423513044 374388652 /nfs/dbraw/zinc/38/86/52/374388652.db2.gz BYFFCISWCBLYRP-ZWNOBZJWSA-N 0 3 265.313 1.234 20 5 CDBDHN COCCN1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000115516265 374412018 /nfs/dbraw/zinc/41/20/18/374412018.db2.gz BJLNHVYFCFQXGV-UHFFFAOYSA-N 0 3 294.355 1.821 20 5 CDBDHN COC[C@@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531966425 374521694 /nfs/dbraw/zinc/52/16/94/374521694.db2.gz BNXGAROQVUJXHM-FZMZJTMJSA-N 0 3 282.340 1.951 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCCN2CCC[C@@H]2C1 ZINC000377481494 374603591 /nfs/dbraw/zinc/60/35/91/374603591.db2.gz LJABIUVAEWUZAN-SNVBAGLBSA-N 0 3 295.364 1.967 20 5 CDBDHN COc1ccc(CN2C[C@@H]3CCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449520288 374816620 /nfs/dbraw/zinc/81/66/20/374816620.db2.gz RTNICRUDLAKMFI-GXTWGEPZSA-N 0 3 291.351 1.739 20 5 CDBDHN C[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)CCN1 ZINC000095069515 374863840 /nfs/dbraw/zinc/86/38/40/374863840.db2.gz NUNMGVVGOIABSQ-SECBINFHSA-N 0 3 273.296 1.336 20 5 CDBDHN CN1CC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000096268643 375068903 /nfs/dbraw/zinc/06/89/03/375068903.db2.gz UMEDVIIDEVOMFM-OAHLLOKOSA-N 0 3 289.335 1.763 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000162501164 375369017 /nfs/dbraw/zinc/36/90/17/375369017.db2.gz CRBRUHSQBZDEIG-SNPRPXQTSA-N 0 3 294.351 1.721 20 5 CDBDHN CO[C@]1(CNCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000132210828 375414022 /nfs/dbraw/zinc/41/40/22/375414022.db2.gz UUMFOCQISIQGGU-ZDUSSCGKSA-N 0 3 266.297 1.490 20 5 CDBDHN CCOc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000059400252 375934385 /nfs/dbraw/zinc/93/43/85/375934385.db2.gz DKRDKZOEHMKYHM-UHFFFAOYSA-N 0 3 281.312 1.285 20 5 CDBDHN C[C@H](NC[C@@H](O)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000358043996 375947805 /nfs/dbraw/zinc/94/78/05/375947805.db2.gz HFHYJVBCZSGMBI-VHRBIJSZSA-N 0 3 280.324 1.643 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262765961 190062476 /nfs/dbraw/zinc/06/24/76/190062476.db2.gz JFMGKJHCFLTSOK-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@H](NC1CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296605953 376578025 /nfs/dbraw/zinc/57/80/25/376578025.db2.gz YTEJOTIQCXXNOG-VIFPVBQESA-N 0 3 263.297 1.352 20 5 CDBDHN CCOC(=O)CC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000385621992 377822671 /nfs/dbraw/zinc/82/26/71/377822671.db2.gz FFMKUSDFMQDOPL-ZDUSSCGKSA-N 0 3 296.323 1.389 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H](N3CCCC3)C2)nc1 ZINC000302090543 285172809 /nfs/dbraw/zinc/17/28/09/285172809.db2.gz GQQAQZLBGBCKBL-LLVKDONJSA-N 0 3 277.328 1.449 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)CN(C)C1CC1 ZINC000290031455 390942744 /nfs/dbraw/zinc/94/27/44/390942744.db2.gz QGKGJUCIRAKKDY-AWEZNQCLSA-N 0 3 293.367 1.482 20 5 CDBDHN COC(=O)[C@]1(C)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412074923 391112028 /nfs/dbraw/zinc/11/20/28/391112028.db2.gz RLLNZSZAKURIOW-CYBMUJFWSA-N 0 3 296.327 1.066 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCN2CCCO)c(F)c1 ZINC000413335275 391202413 /nfs/dbraw/zinc/20/24/13/391202413.db2.gz SXWIDDTVIYPAIH-SNVBAGLBSA-N 0 3 298.318 1.388 20 5 CDBDHN O=C(NCCNc1ccncc1)c1csc([N+](=O)[O-])c1 ZINC000341869079 130096615 /nfs/dbraw/zinc/09/66/15/130096615.db2.gz QPNYPDJASYXRKW-UHFFFAOYSA-N 0 3 292.320 1.315 20 5 CDBDHN CC(COC(=O)CN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496945761 391929268 /nfs/dbraw/zinc/92/92/68/391929268.db2.gz BKRRICMANJLMNC-QMMMGPOBSA-N 0 3 276.289 1.062 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000416310362 391984857 /nfs/dbraw/zinc/98/48/57/391984857.db2.gz ZOATZFMPIDEDGX-UHFFFAOYSA-N 0 3 295.343 1.265 20 5 CDBDHN C[C@@H]1[C@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000488803931 392727437 /nfs/dbraw/zinc/72/74/37/392727437.db2.gz ZGSRCYVWIQSKKE-NEPJUHHUSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCNC1=O ZINC000449108083 393129450 /nfs/dbraw/zinc/12/94/50/393129450.db2.gz PNKDBYYWLPIZAO-CMPLNLGQSA-N 0 3 277.324 1.394 20 5 CDBDHN CCn1nnc(C)c1CNCCc1cccc([N+](=O)[O-])c1 ZINC000449207498 393132418 /nfs/dbraw/zinc/13/24/18/393132418.db2.gz OHEJRJOGULCZDP-UHFFFAOYSA-N 0 3 289.339 1.847 20 5 CDBDHN COC[C@@H](CO)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449298271 393134256 /nfs/dbraw/zinc/13/42/56/393134256.db2.gz JCNZNLCWALDGFL-CMPLNLGQSA-N 0 3 268.313 1.123 20 5 CDBDHN C[C@@H]1[NH2+]CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189322805 140112853 /nfs/dbraw/zinc/11/28/53/140112853.db2.gz JNQBFZBQDOEJHU-VHSXEESVSA-N 0 3 299.352 1.014 20 5 CDBDHN Cc1cc(NCCOCCN(C)C)ncc1[N+](=O)[O-] ZINC000226738299 140180839 /nfs/dbraw/zinc/18/08/39/140180839.db2.gz JDEVMDNWLSWDFJ-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000237640378 140256702 /nfs/dbraw/zinc/25/67/02/140256702.db2.gz XILPLYGVSAZDQG-DTWKUNHWSA-N 0 3 278.312 1.121 20 5 CDBDHN CC[C@H](O)[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176240469 148031030 /nfs/dbraw/zinc/03/10/30/148031030.db2.gz XQDSIUAUDVHZIQ-NEPJUHHUSA-N 0 3 282.344 1.417 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@H]1C ZINC000343069697 152019570 /nfs/dbraw/zinc/01/95/70/152019570.db2.gz ZYDQRUKXCRJRLX-GHMZBOCLSA-N 0 3 294.355 1.916 20 5 CDBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])nc2)CCCN1C ZINC000343509301 152205854 /nfs/dbraw/zinc/20/58/54/152205854.db2.gz HZCMSRRISOFDDD-KOLCDFICSA-N 0 3 250.302 1.884 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000344008270 152386707 /nfs/dbraw/zinc/38/67/07/152386707.db2.gz AMERUHZZVRDUER-GLQYFDAESA-N 0 3 292.335 1.676 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354084308 156260356 /nfs/dbraw/zinc/26/03/56/156260356.db2.gz XNYOVMIJWSDOPC-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCn1cncn1 ZINC000285157637 196209031 /nfs/dbraw/zinc/20/90/31/196209031.db2.gz AIDBEALOYBNWKV-UHFFFAOYSA-N 0 3 275.312 1.361 20 5 CDBDHN COCC[C@@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285310311 196247382 /nfs/dbraw/zinc/24/73/82/196247382.db2.gz SMRONJMDSYCXPZ-KOLCDFICSA-N 0 3 283.328 1.225 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040487122 174289467 /nfs/dbraw/zinc/28/94/67/174289467.db2.gz SJNMUZHZAWYHFO-KCJUWKMLSA-N 0 3 251.286 1.907 20 5 CDBDHN CN1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000044563104 175206975 /nfs/dbraw/zinc/20/69/75/175206975.db2.gz SQGGSQKOWOTGES-JTQLQIEISA-N 0 3 250.302 1.886 20 5 CDBDHN COC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071268700 176102231 /nfs/dbraw/zinc/10/22/31/176102231.db2.gz AQPCFTVDEYHOHU-BXKDBHETSA-N 0 3 254.286 1.253 20 5 CDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1 ZINC000136684774 274369674 /nfs/dbraw/zinc/36/96/74/274369674.db2.gz QMMWSSSHFGFTOS-SSDOTTSWSA-N 0 3 256.693 1.441 20 5 CDBDHN CON1CCC(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000323061551 270331542 /nfs/dbraw/zinc/33/15/42/270331542.db2.gz LTSLFCVCEAZSNP-UHFFFAOYSA-N 0 3 265.313 1.710 20 5 CDBDHN CN(C)C1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420649481 273791871 /nfs/dbraw/zinc/79/18/71/273791871.db2.gz GBOGLEMFUWTADD-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN Cc1cc(N2CCN[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000310871116 274708719 /nfs/dbraw/zinc/70/87/19/274708719.db2.gz MARBXLBCGDCJSX-SECBINFHSA-N 0 3 253.277 1.840 20 5 CDBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCO1 ZINC000090522582 276134974 /nfs/dbraw/zinc/13/49/74/276134974.db2.gz IOPRIKBJDCOISP-ZDUSSCGKSA-N 0 3 295.339 1.257 20 5 CDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1N(C)C ZINC000332665158 278165081 /nfs/dbraw/zinc/16/50/81/278165081.db2.gz PPPBGFPXTZUZCG-QWRGUYRKSA-N 0 3 298.368 1.041 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCN(C)C1 ZINC000091557149 279286851 /nfs/dbraw/zinc/28/68/51/279286851.db2.gz FNIGVJUSPZTHHG-NSHDSACASA-N 0 3 281.360 1.873 20 5 CDBDHN Cc1c(C(=O)NC(C)(C)CN(C)C)cccc1[N+](=O)[O-] ZINC000457229070 280214220 /nfs/dbraw/zinc/21/42/20/280214220.db2.gz YIFXYIDSKCGBJO-UHFFFAOYSA-N 0 3 279.340 1.973 20 5 CDBDHN CC(C)=CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514932958 280861394 /nfs/dbraw/zinc/86/13/94/280861394.db2.gz QFJRJWQPZXOPAZ-LBPRGKRZSA-N 0 3 280.324 1.890 20 5 CDBDHN CN1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255828819 289387160 /nfs/dbraw/zinc/38/71/60/289387160.db2.gz ZGQMZALPKNHUCB-SREVYHEPSA-N 0 3 289.335 1.818 20 5 CDBDHN CC(C)(NCC[C@@H]1CCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000565171331 293541073 /nfs/dbraw/zinc/54/10/73/293541073.db2.gz LKXYDNCSFZHADN-NSHDSACASA-N 0 3 291.351 1.946 20 5 CDBDHN O=C1CCCN1CCNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000582671163 325022049 /nfs/dbraw/zinc/02/20/49/325022049.db2.gz IIOIUEZKAMUYLO-ZZXKWVIFSA-N 0 3 289.335 1.820 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582718843 325029645 /nfs/dbraw/zinc/02/96/45/325029645.db2.gz CTYDDHYJORLGTJ-UGFHNGPFSA-N 0 3 293.367 1.571 20 5 CDBDHN CC(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC000020125423 519501802 /nfs/dbraw/zinc/50/18/02/519501802.db2.gz BCVPOGOPSGQCIZ-UHFFFAOYSA-N 0 3 265.313 1.457 20 5 CDBDHN CCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000161475590 520236802 /nfs/dbraw/zinc/23/68/02/520236802.db2.gz VPNGNMWWRURGCJ-UHFFFAOYSA-N 0 3 280.328 1.318 20 5 CDBDHN COCCN(C)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000061379149 523608968 /nfs/dbraw/zinc/60/89/68/523608968.db2.gz NAABIJZOLPWVBN-UHFFFAOYSA-N 0 3 297.355 1.271 20 5 CDBDHN NC(=O)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1 ZINC000049575317 527067776 /nfs/dbraw/zinc/06/77/76/527067776.db2.gz WNCVMVHBQLNVAD-UHFFFAOYSA-N 0 3 292.339 1.592 20 5 CDBDHN CCOc1cc(CN[C@@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000755053507 576928325 /nfs/dbraw/zinc/92/83/25/576928325.db2.gz AVONEAIGUSQFFR-LBPRGKRZSA-N 0 3 280.324 1.854 20 5 CDBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893329409 617583766 /nfs/dbraw/zinc/58/37/66/617583766.db2.gz QOZHIBZJJCFLTN-CMPLNLGQSA-N 0 3 298.364 1.508 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H]2CO)cc1 ZINC000934015956 617853361 /nfs/dbraw/zinc/85/33/61/617853361.db2.gz QIQMVZVGJZRNJM-LBPRGKRZSA-N 0 3 266.297 1.430 20 5 CDBDHN CCN(CC)[C@@H](CNCC[N+](=O)[O-])c1ccsc1 ZINC000899870280 622496032 /nfs/dbraw/zinc/49/60/32/622496032.db2.gz LKBXLTQQXRIMFK-LBPRGKRZSA-N 0 3 271.386 1.997 20 5 CDBDHN CC(C)(C)OC(=O)C(C)(C)CCNCC[N+](=O)[O-] ZINC000905289979 626742107 /nfs/dbraw/zinc/74/21/07/626742107.db2.gz JJOOKRBGGQVMOF-UHFFFAOYSA-N 0 3 260.334 1.611 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC/C=C/Cl ZINC000905708484 626935297 /nfs/dbraw/zinc/93/52/97/626935297.db2.gz PGCDCGXKCGEWIG-YVGDHZEHSA-N 0 3 286.715 1.677 20 5 CDBDHN CC[C@@H](CO)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000915875576 631848755 /nfs/dbraw/zinc/84/87/55/631848755.db2.gz RZXKXRVUEVHWGV-ZJUUUORDSA-N 0 3 281.312 1.282 20 5 CDBDHN O=[N+]([O-])CCN[C@H](CN1CCCC1)c1ccccc1 ZINC000930195841 726861810 /nfs/dbraw/zinc/86/18/10/726861810.db2.gz UHBNFYPAOXHOPS-CQSZACIVSA-N 0 3 263.341 1.690 20 5 CDBDHN CN(CCO)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000884826096 726017957 /nfs/dbraw/zinc/01/79/57/726017957.db2.gz HBYGRGVBOKJTAO-UHFFFAOYSA-N 0 3 290.323 1.479 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNCCN1CC[C@@H](O)C1 ZINC000858298494 726286008 /nfs/dbraw/zinc/28/60/08/726286008.db2.gz SNUQQDRHRVQWBI-GFCCVEGCSA-N 0 3 299.758 1.404 20 5 CDBDHN C[C@H](COC(=O)c1ccc([N+](=O)[O-])n1C)N1CCCCC1 ZINC000847959771 726402158 /nfs/dbraw/zinc/40/21/58/726402158.db2.gz JRLZPRRLMUJGFZ-LLVKDONJSA-N 0 3 295.339 1.965 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](C3OCCO3)C2)c1 ZINC000719064339 728068949 /nfs/dbraw/zinc/06/89/49/728068949.db2.gz DJZDKXLWXVMHFF-GFCCVEGCSA-N 0 3 278.308 1.790 20 5 CDBDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC[N+](=O)[O-])C1 ZINC000791054082 728365230 /nfs/dbraw/zinc/36/52/30/728365230.db2.gz XAXUOQYCKRBFSF-NEPJUHHUSA-N 0 3 271.361 1.280 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2cnc(CN)c2)c1 ZINC001162304744 922245032 /nfs/dbraw/zinc/24/50/32/922245032.db2.gz YLSTVSGRDMBELS-UHFFFAOYSA-N 0 3 276.252 1.026 20 5 CDBDHN O=C1NCCC[C@@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000839195430 936908453 /nfs/dbraw/zinc/90/84/53/936908453.db2.gz JDRYRNNIOPUXRL-SNVBAGLBSA-N 0 3 297.742 1.864 20 5 CDBDHN CC(=O)NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086008259 926598011 /nfs/dbraw/zinc/59/80/11/926598011.db2.gz JKBWUOVMQZKACR-BJHJDKERSA-N 0 3 277.324 1.599 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2C=C[C@H](CO)C2)c1 ZINC000843079936 937110395 /nfs/dbraw/zinc/11/03/95/937110395.db2.gz NXJKNFRWHJBKHX-ZKYQVNSYSA-N 0 3 278.308 1.155 20 5 CDBDHN Cc1cnc(N2C[C@H]3[C@H](C2)CCCN3C)c([N+](=O)[O-])c1 ZINC001157260249 938469977 /nfs/dbraw/zinc/46/99/77/938469977.db2.gz IQCPCKYANYOSFI-AAEUAGOBSA-N 0 3 276.340 1.829 20 5 CDBDHN COc1nc(N2C[C@H]3CCCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001157263005 938471335 /nfs/dbraw/zinc/47/13/35/938471335.db2.gz ZVDLXEWSAIYETP-ZYHUDNBSSA-N 0 3 292.339 1.529 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(Nc2ccc(CN)nc2)n1 ZINC001160402353 938784462 /nfs/dbraw/zinc/78/44/62/938784462.db2.gz PYSYNEIMPOQNRL-UHFFFAOYSA-N 0 3 260.257 1.291 20 5 CDBDHN NCc1cn(-c2ccc3nsnc3c2[N+](=O)[O-])cn1 ZINC001162304001 938976076 /nfs/dbraw/zinc/97/60/76/938976076.db2.gz DKOSWOHIJGEWMM-UHFFFAOYSA-N 0 3 276.281 1.244 20 5 CDBDHN CCOc1cc(-n2cnc(CN)c2)ccc1[N+](=O)[O-] ZINC001162304326 938976389 /nfs/dbraw/zinc/97/63/89/938976389.db2.gz GDYYUGVRCJBOSQ-UHFFFAOYSA-N 0 3 262.269 1.638 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(NC[C@@H]2Cc3ccccc3CN2)n1 ZINC001163272434 939237948 /nfs/dbraw/zinc/23/79/48/939237948.db2.gz QSOMKOZNOPLZNB-ZDUSSCGKSA-N 0 3 299.334 1.820 20 5 CDBDHN O=[N+]([O-])c1cnc2cccc(N[C@H]3CN4CCC3CC4)n21 ZINC001163394951 939261825 /nfs/dbraw/zinc/26/18/25/939261825.db2.gz NFSKQLZUZBYKFX-NSHDSACASA-N 0 3 287.323 1.749 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@]23CNCCO3)cn1 ZINC001163650512 939298232 /nfs/dbraw/zinc/29/82/32/939298232.db2.gz PWNGLSFUTVVOTP-GXFFZTMASA-N 0 3 293.327 1.098 20 5 CDBDHN CC(C)N1CCN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001165199812 939522909 /nfs/dbraw/zinc/52/29/09/939522909.db2.gz NNGMFNMHGZPROD-SNVBAGLBSA-N 0 3 279.344 1.491 20 5 CDBDHN C[C@@H](N)C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218858018 941280146 /nfs/dbraw/zinc/28/01/46/941280146.db2.gz UDFNDBXGQWTUMB-MRVPVSSYSA-N 0 3 281.319 1.651 20 5 CDBDHN Cc1ccnc(OC2CCN(C)CC2)c1[N+](=O)[O-] ZINC001226116545 941953536 /nfs/dbraw/zinc/95/35/36/941953536.db2.gz RNNKAWAIQOFVEU-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H](CO)c1ccncc1)C2 ZINC001254580566 947536824 /nfs/dbraw/zinc/53/68/24/947536824.db2.gz GNNAVAUMYNWPEM-GDBMZVCRSA-N 0 3 299.330 1.780 20 5 CDBDHN CN(C)CCONC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001328691231 955418039 /nfs/dbraw/zinc/41/80/39/955418039.db2.gz JCVXCCYGOALJLQ-UHFFFAOYSA-N 0 3 292.295 1.299 20 5 CDBDHN N[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC001329260273 955782778 /nfs/dbraw/zinc/78/27/78/955782778.db2.gz WQLXEKJGTMFECA-ZDUSSCGKSA-N 0 3 275.308 1.564 20 5 CDBDHN CCC[C@@H](CCO)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001308901588 956596827 /nfs/dbraw/zinc/59/68/27/956596827.db2.gz ZMFPPFYTNUKCOK-NSHDSACASA-N 0 3 298.339 1.950 20 5 CDBDHN CC(COC(=O)c1ccn(CC(F)(F)F)n1)[N+](=O)[O-] ZINC001344998812 964526428 /nfs/dbraw/zinc/52/64/28/964526428.db2.gz UVOZYOZDYXPFES-LURJTMIESA-N 0 3 281.190 1.267 20 5 CDBDHN C[C@@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CNCCO1 ZINC001576516261 1171444786 /nfs/dbraw/zinc/44/47/86/1171444786.db2.gz LQAZVBCFWXFZFK-ZDUSSCGKSA-N 0 3 294.311 1.095 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC=CCC2)c1 ZINC000611517635 346808831 /nfs/dbraw/zinc/80/88/31/346808831.db2.gz ZUABYRBKLLZZLZ-CYBMUJFWSA-N 0 3 278.308 1.596 20 5 CDBDHN C[C@@H](N[C@@H]1COCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000601303262 342550975 /nfs/dbraw/zinc/55/09/75/342550975.db2.gz BOHAJGXTKWEHNM-OASPWFOLSA-N 0 3 266.297 1.395 20 5 CDBDHN CCN1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124662176 187147532 /nfs/dbraw/zinc/14/75/32/187147532.db2.gz AAYFHSVXBPFJHA-UHFFFAOYSA-N 0 3 293.327 1.596 20 5 CDBDHN CC[C@]1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000616865972 342568026 /nfs/dbraw/zinc/56/80/26/342568026.db2.gz DHRXRTGISHOOLS-AWEZNQCLSA-N 0 3 293.323 1.352 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](N2CCCC2)C1 ZINC000608905321 342084164 /nfs/dbraw/zinc/08/41/64/342084164.db2.gz CCVOCIJDKQAFAS-SNVBAGLBSA-N 0 3 278.312 1.233 20 5 CDBDHN Cc1ccc(CNC[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971943 342612474 /nfs/dbraw/zinc/61/24/74/342612474.db2.gz YDSLTHGXVQWQEW-LBPRGKRZSA-N 0 3 277.324 1.519 20 5 CDBDHN C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H](C)N1 ZINC000310706294 342134349 /nfs/dbraw/zinc/13/43/49/342134349.db2.gz CZUFNGINIPNKEX-DTORHVGOSA-N 0 3 253.277 1.921 20 5 CDBDHN CCc1ccc(C(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000591678490 342641512 /nfs/dbraw/zinc/64/15/12/342641512.db2.gz VFXUFTGOIFHOBL-UHFFFAOYSA-N 0 3 291.351 1.981 20 5 CDBDHN CN(CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000593421460 342800357 /nfs/dbraw/zinc/80/03/57/342800357.db2.gz QBGVFOLXHUNMIA-UHFFFAOYSA-N 0 3 295.314 1.487 20 5 CDBDHN CC[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000129778813 342194611 /nfs/dbraw/zinc/19/46/11/342194611.db2.gz NDGPJIMPORPLDB-CYBMUJFWSA-N 0 3 279.340 1.771 20 5 CDBDHN COC[C@H](O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000129645017 342190006 /nfs/dbraw/zinc/19/00/06/342190006.db2.gz ONZZNJUCRSAFKI-ZYHUDNBSSA-N 0 3 268.313 1.561 20 5 CDBDHN CN(C)C1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593743789 342827324 /nfs/dbraw/zinc/82/73/24/342827324.db2.gz GHDYNTRYOJUQMP-UHFFFAOYSA-N 0 3 295.314 1.487 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1COCCN1 ZINC000600678735 342244221 /nfs/dbraw/zinc/24/42/21/342244221.db2.gz TZSZLEVECXFBAE-LQPUYASZSA-N 0 3 277.324 1.186 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000079768101 342232843 /nfs/dbraw/zinc/23/28/43/342232843.db2.gz FIEHEJIPTJQLBB-CYBMUJFWSA-N 0 3 250.298 1.798 20 5 CDBDHN Cn1c(C(=O)N[C@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000609383268 342264475 /nfs/dbraw/zinc/26/44/75/342264475.db2.gz KVWUEROXIPQGGR-NSHDSACASA-N 0 3 292.339 1.147 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(CO)COC1 ZINC000595020958 342996035 /nfs/dbraw/zinc/99/60/35/342996035.db2.gz BOAMYFQRELIIMH-JTQLQIEISA-N 0 3 296.323 1.263 20 5 CDBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1CCO ZINC000595697459 343125012 /nfs/dbraw/zinc/12/50/12/343125012.db2.gz LISWWRLKZFGVPN-WCQYABFASA-N 0 3 282.344 1.274 20 5 CDBDHN N[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000595907159 343188980 /nfs/dbraw/zinc/18/89/80/343188980.db2.gz RIRDISMVRGAQDQ-GHMZBOCLSA-N 0 3 283.303 1.345 20 5 CDBDHN CC(C)(C)[NH2+]CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596103742 343228083 /nfs/dbraw/zinc/22/80/83/343228083.db2.gz FDDIEYBZELNPOC-UHFFFAOYSA-N 0 3 254.290 1.495 20 5 CDBDHN NC(=O)c1cc(NCCN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000596222949 343271250 /nfs/dbraw/zinc/27/12/50/343271250.db2.gz KMMRAUUJPVBYKR-UHFFFAOYSA-N 0 3 290.323 1.368 20 5 CDBDHN CC[C@@H](N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136481680 342379501 /nfs/dbraw/zinc/37/95/01/342379501.db2.gz QJUZMZPQAYGGBO-MRVPVSSYSA-N 0 3 253.258 1.279 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596278442 343296444 /nfs/dbraw/zinc/29/64/44/343296444.db2.gz MWDCSOCUJAEVPQ-NSHDSACASA-N 0 3 292.339 1.224 20 5 CDBDHN CCc1nn(C)c(N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000094159984 342430119 /nfs/dbraw/zinc/43/01/19/342430119.db2.gz BMKGOPHSUIWMAF-LLVKDONJSA-N 0 3 295.387 1.669 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CC[C@@H](O)C1 ZINC000599084348 343958008 /nfs/dbraw/zinc/95/80/08/343958008.db2.gz BAZDXBQWTZJMSG-GXTWGEPZSA-N 0 3 293.367 1.620 20 5 CDBDHN C[N@@H+]1CCCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000599141806 343960407 /nfs/dbraw/zinc/96/04/07/343960407.db2.gz RLEGKSLXUMCFCD-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN C[N@H+]1CCCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000599141806 343960409 /nfs/dbraw/zinc/96/04/09/343960409.db2.gz RLEGKSLXUMCFCD-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(C1CC1)C1CC1 ZINC000599600969 344100110 /nfs/dbraw/zinc/10/01/10/344100110.db2.gz ZOXCGXHHLKPGMX-CYBMUJFWSA-N 0 3 292.335 1.961 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601974961 344299688 /nfs/dbraw/zinc/29/96/88/344299688.db2.gz VLWUGCIBEJQLAD-TXEJJXNPSA-N 0 3 278.308 1.552 20 5 CDBDHN COc1cccc(C)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000602570473 344485567 /nfs/dbraw/zinc/48/55/67/344485567.db2.gz VZTOKPMTOAZZMH-UHFFFAOYSA-N 0 3 290.323 1.898 20 5 CDBDHN CCN1C[C@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602802343 344591955 /nfs/dbraw/zinc/59/19/55/344591955.db2.gz ZGATXUIHIGEDBM-RYUDHWBXSA-N 0 3 295.387 1.514 20 5 CDBDHN CCO[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778703 344594436 /nfs/dbraw/zinc/59/44/36/344594436.db2.gz KHLUZPRUZCNKTN-GFCCVEGCSA-N 0 3 282.344 1.601 20 5 CDBDHN CC(C)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051536280 345162707 /nfs/dbraw/zinc/16/27/07/345162707.db2.gz MRZBBGQRBXGRSC-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NCCN1CCCCCC1 ZINC000025570817 345313440 /nfs/dbraw/zinc/31/34/40/345313440.db2.gz SASVXGKXDBRSDW-UHFFFAOYSA-N 0 3 267.333 1.616 20 5 CDBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000033093348 345441559 /nfs/dbraw/zinc/44/15/59/345441559.db2.gz ICNNNVGXSVPWHR-JTQLQIEISA-N 0 3 281.312 1.040 20 5 CDBDHN CC[C@@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000609839872 346005563 /nfs/dbraw/zinc/00/55/63/346005563.db2.gz FPQHLWUVFAOVBT-VIFPVBQESA-N 0 3 280.332 1.084 20 5 CDBDHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000086467871 179298922 /nfs/dbraw/zinc/29/89/22/179298922.db2.gz FBMLEBGFEFJLRR-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN COC[C@@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000069912586 349110832 /nfs/dbraw/zinc/11/08/32/349110832.db2.gz MGARAPVLKHHARL-LBPRGKRZSA-N 0 3 254.286 1.082 20 5 CDBDHN CCCCN(CCOC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548670 180001907 /nfs/dbraw/zinc/00/19/07/180001907.db2.gz XIFPHTDNYOWZLG-UHFFFAOYSA-N 0 3 297.355 1.505 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000107062635 186157438 /nfs/dbraw/zinc/15/74/38/186157438.db2.gz VZJHWMMEUSGAFZ-UHFFFAOYSA-N 0 3 285.731 1.882 20 5 CDBDHN COc1cc(CNCC[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000114771258 350850611 /nfs/dbraw/zinc/85/06/11/350850611.db2.gz HNVMPNUKKITBHH-VIFPVBQESA-N 0 3 284.312 1.473 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000079768460 350968174 /nfs/dbraw/zinc/96/81/74/350968174.db2.gz UDMHADOAYGQQTC-CYBMUJFWSA-N 0 3 280.324 1.676 20 5 CDBDHN O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CNCCO1 ZINC000236048574 140239262 /nfs/dbraw/zinc/23/92/62/140239262.db2.gz IQPJJKIGMVOPIN-MRVPVSSYSA-N 0 3 271.704 1.649 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810235 356539435 /nfs/dbraw/zinc/53/94/35/356539435.db2.gz LXRLTPBMAIVMPE-MFKMUULPSA-N 0 3 279.340 1.927 20 5 CDBDHN COCCN1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000336906224 356785269 /nfs/dbraw/zinc/78/52/69/356785269.db2.gz XRMPFUUVFJGYRF-AWEZNQCLSA-N 0 3 293.367 1.714 20 5 CDBDHN COc1cc(CN[C@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000274308670 357368801 /nfs/dbraw/zinc/36/88/01/357368801.db2.gz LUZIKWCKJUIPME-LLVKDONJSA-N 0 3 286.303 1.849 20 5 CDBDHN C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294450985 199044525 /nfs/dbraw/zinc/04/45/25/199044525.db2.gz VQKGRJWQECOOFR-IXGDSRDXSA-N 0 3 285.369 1.595 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])s1 ZINC000192456297 358204354 /nfs/dbraw/zinc/20/43/54/358204354.db2.gz LIZLSZOIIUNHKJ-SECBINFHSA-N 0 3 270.358 1.829 20 5 CDBDHN CN(CCN(C)C1CC1)c1ncc([N+](=O)[O-])s1 ZINC000192534969 358213555 /nfs/dbraw/zinc/21/35/55/358213555.db2.gz MYNIBEJGHFZBCL-UHFFFAOYSA-N 0 3 256.331 1.582 20 5 CDBDHN COc1cc(C(=O)N(C)CCN(C)C)c([N+](=O)[O-])cc1F ZINC000294813469 199194766 /nfs/dbraw/zinc/19/47/66/199194766.db2.gz CFGUDHJKTAJKKX-UHFFFAOYSA-N 0 3 299.302 1.376 20 5 CDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000287394789 358514800 /nfs/dbraw/zinc/51/48/00/358514800.db2.gz YORQJWBPPHZRNF-MNOVXSKESA-N 0 3 293.323 1.887 20 5 CDBDHN CCCN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287436438 358645164 /nfs/dbraw/zinc/64/51/64/358645164.db2.gz QWMVKWHKFAOONU-UHFFFAOYSA-N 0 3 294.355 1.871 20 5 CDBDHN O=C(NCCNc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000338068097 358735395 /nfs/dbraw/zinc/73/53/95/358735395.db2.gz HUPJECBLMFCBNC-UHFFFAOYSA-N 0 3 286.291 1.254 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H](O)C1CC1 ZINC000341173093 366520647 /nfs/dbraw/zinc/52/06/47/366520647.db2.gz ZOQDGRWYCDOWGY-KQIUPUNMSA-N 0 3 262.309 1.969 20 5 CDBDHN COc1ccc(CN[C@@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342206182 358965242 /nfs/dbraw/zinc/96/52/42/358965242.db2.gz PXTHZEUKZUEDLP-IUCAKERBSA-N 0 3 254.286 1.462 20 5 CDBDHN CC[C@@H]1CN(CC)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000451729140 359073550 /nfs/dbraw/zinc/07/35/50/359073550.db2.gz JJGQRPCULIYISN-GFCCVEGCSA-N 0 3 281.360 1.207 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCOCCN(C)C)c1 ZINC000231207646 359252555 /nfs/dbraw/zinc/25/25/55/359252555.db2.gz XKOPUGIDRAYABI-UHFFFAOYSA-N 0 3 267.329 1.893 20 5 CDBDHN CCN(C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112925619 359365291 /nfs/dbraw/zinc/36/52/91/359365291.db2.gz LZSGSFOSFIBULY-UHFFFAOYSA-N 0 3 290.323 1.758 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000408364157 359694367 /nfs/dbraw/zinc/69/43/67/359694367.db2.gz HTFFTRCNDBBWPO-MNOVXSKESA-N 0 3 279.344 1.249 20 5 CDBDHN COC(=O)Cc1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC000297502344 200212552 /nfs/dbraw/zinc/21/25/52/200212552.db2.gz NDWMXHDBKILTRO-UHFFFAOYSA-N 0 3 293.323 1.061 20 5 CDBDHN COCCN(C)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000134271061 359858772 /nfs/dbraw/zinc/85/87/72/359858772.db2.gz FXXXFYDKASSTEN-UHFFFAOYSA-N 0 3 271.292 1.724 20 5 CDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(O)c1 ZINC000181491567 189298424 /nfs/dbraw/zinc/29/84/24/189298424.db2.gz WLPBZLZFQBZXPE-SNVBAGLBSA-N 0 3 276.296 1.848 20 5 CDBDHN O=C(NCCN1CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183589324 189363349 /nfs/dbraw/zinc/36/33/49/189363349.db2.gz GLJNXKYJHKPKJJ-UHFFFAOYSA-N 0 3 293.327 1.597 20 5 CDBDHN COC[C@H](CCO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293738484 364463972 /nfs/dbraw/zinc/46/39/72/364463972.db2.gz NJJSQPSGESNZMQ-KOLCDFICSA-N 0 3 283.328 1.225 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)[C@H]2CCCO2)c1 ZINC000447907485 364575585 /nfs/dbraw/zinc/57/55/85/364575585.db2.gz RWFNHCJXUSONAN-CHWSQXEVSA-N 0 3 266.297 1.224 20 5 CDBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)[C@@H]2COC[C@@H]21 ZINC000452110987 364811751 /nfs/dbraw/zinc/81/17/51/364811751.db2.gz SGDOGFAFNOLYAR-WDEREUQCSA-N 0 3 280.328 1.148 20 5 CDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000272239887 367567112 /nfs/dbraw/zinc/56/71/12/367567112.db2.gz XFHVKBLMGCPMRF-JTQLQIEISA-N 0 3 295.339 1.990 20 5 CDBDHN C[C@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000090795051 368132819 /nfs/dbraw/zinc/13/28/19/368132819.db2.gz OGKMFMVZYHMRHL-GXSJLCMTSA-N 0 3 292.339 1.588 20 5 CDBDHN Cc1ccc(NC(=O)CNCC2CC2)cc1[N+](=O)[O-] ZINC000037612052 369336638 /nfs/dbraw/zinc/33/66/38/369336638.db2.gz OAPWIQJCHWKPNN-UHFFFAOYSA-N 0 3 263.297 1.841 20 5 CDBDHN CN1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000037669680 369879433 /nfs/dbraw/zinc/87/94/33/369879433.db2.gz AFHMLNAAHXBRHO-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CN(C)CCn1nccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295349076 370023874 /nfs/dbraw/zinc/02/38/74/370023874.db2.gz AJYTXZOTPYNYDI-UHFFFAOYSA-N 0 3 297.359 1.219 20 5 CDBDHN C[C@@H](NCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037751777 370055919 /nfs/dbraw/zinc/05/59/19/370055919.db2.gz OLANFALRJAQMRQ-SNVBAGLBSA-N 0 3 265.313 1.724 20 5 CDBDHN CN(C)C(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000037751704 370056070 /nfs/dbraw/zinc/05/60/70/370056070.db2.gz CQUJIDJGLOIPQC-UHFFFAOYSA-N 0 3 251.286 1.163 20 5 CDBDHN Cc1nc(NCCN(C)C2CC2)ncc1[N+](=O)[O-] ZINC000295512377 370444138 /nfs/dbraw/zinc/44/41/38/370444138.db2.gz LPTMIZTYGRLTFH-UHFFFAOYSA-N 0 3 251.290 1.199 20 5 CDBDHN CC[C@H](CO)N(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000295642609 370538453 /nfs/dbraw/zinc/53/84/53/370538453.db2.gz GRFUTPPEJIWUEM-LLVKDONJSA-N 0 3 298.339 1.685 20 5 CDBDHN C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])N(C)C ZINC000420580986 374298307 /nfs/dbraw/zinc/29/83/07/374298307.db2.gz GIOSTXLOXAOYQU-MRVPVSSYSA-N 0 3 266.301 1.056 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](C)C1 ZINC000299043797 374323828 /nfs/dbraw/zinc/32/38/28/374323828.db2.gz SAAZLUXQBFDMPU-MNOVXSKESA-N 0 3 294.355 1.773 20 5 CDBDHN CC(=O)NCCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429244126 374576844 /nfs/dbraw/zinc/57/68/44/374576844.db2.gz JIAWCXXGIZSQOJ-UHFFFAOYSA-N 0 3 279.340 1.946 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000274547965 374676815 /nfs/dbraw/zinc/67/68/15/374676815.db2.gz GYNDPDBXRHHBBH-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H](CO)[C@H]1CCCO1 ZINC000447911844 374721006 /nfs/dbraw/zinc/72/10/06/374721006.db2.gz FOLSFGYZNHYDLB-WCQYABFASA-N 0 3 296.323 1.103 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)[C@H]1CCOC1 ZINC000280260925 374987796 /nfs/dbraw/zinc/98/77/96/374987796.db2.gz JVMWPFYDULOCIB-STQMWFEESA-N 0 3 280.324 1.329 20 5 CDBDHN CN(C)C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000332696553 375044343 /nfs/dbraw/zinc/04/43/43/375044343.db2.gz WJWITNAAXZTPBC-SECBINFHSA-N 0 3 266.301 1.089 20 5 CDBDHN Cc1nn(C)c(N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227497687 375544327 /nfs/dbraw/zinc/54/43/27/375544327.db2.gz URSHFVKPLVZEJE-WCBMZHEXSA-N 0 3 267.333 1.531 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CC(=O)N(C)C1 ZINC000344830141 375550198 /nfs/dbraw/zinc/55/01/98/375550198.db2.gz RBGYOILXVFERHE-VKUYVZBCSA-N 0 3 289.335 1.818 20 5 CDBDHN CCC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353445436 375609785 /nfs/dbraw/zinc/60/97/85/375609785.db2.gz WTONOJXDIQAYPY-NSHDSACASA-N 0 3 281.312 1.347 20 5 CDBDHN Cn1cnc(CCNC/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000344888368 375648838 /nfs/dbraw/zinc/64/88/38/375648838.db2.gz RDWVKEDRKWGYTP-GQCTYLIASA-N 0 3 287.323 1.569 20 5 CDBDHN C[C@H](NC[C@H](O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358048705 375948079 /nfs/dbraw/zinc/94/80/79/375948079.db2.gz PWRMEUWVYSHYHR-SUHUHFCYSA-N 0 3 280.324 1.643 20 5 CDBDHN CCN1CC[C@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000354354676 376330915 /nfs/dbraw/zinc/33/09/15/376330915.db2.gz VJCWINZSZZDHMN-MNOVXSKESA-N 0 3 281.360 1.637 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000262759737 190062224 /nfs/dbraw/zinc/06/22/24/190062224.db2.gz IHIHULSKXXWFLS-NWDGAFQWSA-N 0 3 291.351 1.736 20 5 CDBDHN CCc1n[nH]c(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264095532 190091273 /nfs/dbraw/zinc/09/12/73/190091273.db2.gz BJXKTIQFCILSIS-UHFFFAOYSA-N 0 3 295.343 1.047 20 5 CDBDHN CCc1[nH]nc(C(=O)N(C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264095532 190091274 /nfs/dbraw/zinc/09/12/74/190091274.db2.gz BJXKTIQFCILSIS-UHFFFAOYSA-N 0 3 295.343 1.047 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C)c1 ZINC000266111423 190231185 /nfs/dbraw/zinc/23/11/85/190231185.db2.gz UGIBTPFYOMHTRT-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000278750859 194137214 /nfs/dbraw/zinc/13/72/14/194137214.db2.gz WKPIKRUXJYWXHY-UONOGXRCSA-N 0 3 280.324 1.878 20 5 CDBDHN COCCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266544346 190266160 /nfs/dbraw/zinc/26/61/60/190266160.db2.gz RERQGCATHICHKO-UHFFFAOYSA-N 0 3 284.312 1.560 20 5 CDBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCO)CC2)cc1 ZINC000174245858 379411842 /nfs/dbraw/zinc/41/18/42/379411842.db2.gz ZNNSUTFNXOHWFA-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN Cc1cc(N(C)[C@@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000267043668 190299291 /nfs/dbraw/zinc/29/92/91/190299291.db2.gz CZRLQNRGYQMANT-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206100 190386458 /nfs/dbraw/zinc/38/64/58/190386458.db2.gz JSBBNXVKPXSPGV-YGRLFVJLSA-N 0 3 289.335 1.807 20 5 CDBDHN Cc1cnc(NC[C@@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450600033 251360863 /nfs/dbraw/zinc/36/08/63/251360863.db2.gz UWMXEWHHSLGKKF-LBPRGKRZSA-N 0 3 294.355 1.557 20 5 CDBDHN C[C@H](NC[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453405853 252313823 /nfs/dbraw/zinc/31/38/23/252313823.db2.gz QPPJBKNLGSAHDS-HZMBPMFUSA-N 0 3 277.324 1.914 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CCCC3)C2)nc1 ZINC000072089512 285128427 /nfs/dbraw/zinc/12/84/27/285128427.db2.gz VHUIQLLNSWCNRV-GFCCVEGCSA-N 0 3 262.313 1.664 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000301724069 285166983 /nfs/dbraw/zinc/16/69/83/285166983.db2.gz OPPIJFQWGIZNTA-GFCCVEGCSA-N 0 3 292.339 1.655 20 5 CDBDHN CC[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000281355529 195208603 /nfs/dbraw/zinc/20/86/03/195208603.db2.gz KXBGEEZHEPGWKP-NSHDSACASA-N 0 3 268.317 1.292 20 5 CDBDHN CCO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000451550915 390631060 /nfs/dbraw/zinc/63/10/60/390631060.db2.gz XGABTLUODIIEIF-AAEUAGOBSA-N 0 3 282.344 1.538 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC(CF)CC2)c1 ZINC000451388745 390614867 /nfs/dbraw/zinc/61/48/67/390614867.db2.gz MGVVYBBTYDZIPE-UHFFFAOYSA-N 0 3 256.281 1.473 20 5 CDBDHN CC(C)(CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCCCC1 ZINC000158879317 390942625 /nfs/dbraw/zinc/94/26/25/390942625.db2.gz LICWXZZGKUZZOE-UHFFFAOYSA-N 0 3 295.343 1.312 20 5 CDBDHN COC[C@]1(CO)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924148 390905138 /nfs/dbraw/zinc/90/51/38/390905138.db2.gz IGUIILSKDAPSHA-SWLSCSKDSA-N 0 3 294.351 1.987 20 5 CDBDHN C[C@@H]1C[C@H](O)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000412033840 391051634 /nfs/dbraw/zinc/05/16/34/391051634.db2.gz JMSWBSZTQIQDBN-NEPJUHHUSA-N 0 3 280.324 1.676 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CNCCO1 ZINC000415502713 391467591 /nfs/dbraw/zinc/46/75/91/391467591.db2.gz NPFFSPXVRQVBRI-LLVKDONJSA-N 0 3 294.311 1.013 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(C)C1=O ZINC000449179066 392047187 /nfs/dbraw/zinc/04/71/87/392047187.db2.gz VDKSLVMKCNFGBH-YPMHNXCESA-N 0 3 291.351 1.736 20 5 CDBDHN C[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1 ZINC000420209278 392903675 /nfs/dbraw/zinc/90/36/75/392903675.db2.gz ROLIAWRVXNVDEL-VIFPVBQESA-N 0 3 273.296 1.336 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)C2(N)CCC2)cc1[N+](=O)[O-] ZINC000449310528 393133827 /nfs/dbraw/zinc/13/38/27/393133827.db2.gz HILUMGOVUPKFDL-JTQLQIEISA-N 0 3 277.324 1.962 20 5 CDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000275751255 135111949 /nfs/dbraw/zinc/11/19/49/135111949.db2.gz DFRNXZNCDDDEEK-GFCCVEGCSA-N 0 3 293.367 1.876 20 5 CDBDHN CCC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236928769 140249788 /nfs/dbraw/zinc/24/97/88/140249788.db2.gz XJGXVKCXOCCKQL-CYBMUJFWSA-N 0 3 277.324 1.607 20 5 CDBDHN C[C@H](NCCc1ncn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000094984719 147104867 /nfs/dbraw/zinc/10/48/67/147104867.db2.gz QSRKUUNGFSOFCA-JTQLQIEISA-N 0 3 275.312 1.617 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1C ZINC000343069700 152019687 /nfs/dbraw/zinc/01/96/87/152019687.db2.gz ZYDQRUKXCRJRLX-WDEREUQCSA-N 0 3 294.355 1.916 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000346224294 153103403 /nfs/dbraw/zinc/10/34/03/153103403.db2.gz NHPJGBDWYQVRFN-SNVBAGLBSA-N 0 3 281.312 1.040 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CC[C@H](CO)O2)cc1 ZINC000353714169 156033792 /nfs/dbraw/zinc/03/37/92/156033792.db2.gz WLOLDKFYQLSWCY-QWHCGFSZSA-N 0 3 266.297 1.224 20 5 CDBDHN Cc1c(CNC(=O)N[C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000355529003 157102647 /nfs/dbraw/zinc/10/26/47/157102647.db2.gz SBZJNIKRLLNSNY-SNVBAGLBSA-N 0 3 294.355 1.653 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366553293 159386187 /nfs/dbraw/zinc/38/61/87/159386187.db2.gz GSJYJSIVTCYTJF-IUCAKERBSA-N 0 3 297.286 1.033 20 5 CDBDHN CN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000044563213 175206431 /nfs/dbraw/zinc/20/64/31/175206431.db2.gz SFPKKCXVOJBRQG-SECBINFHSA-N 0 3 251.290 1.281 20 5 CDBDHN CCCNC(=O)CCNCc1cccc([N+](=O)[O-])c1C ZINC000045073781 175302854 /nfs/dbraw/zinc/30/28/54/175302854.db2.gz OJBUTFGLCPDQNZ-UHFFFAOYSA-N 0 3 279.340 1.909 20 5 CDBDHN Cc1cc(N[C@@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000078543576 177352210 /nfs/dbraw/zinc/35/22/10/177352210.db2.gz GABFJRGXYXUOQR-ZDUSSCGKSA-N 0 3 292.383 1.951 20 5 CDBDHN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000086470998 274363938 /nfs/dbraw/zinc/36/39/38/274363938.db2.gz BZWQGEHODWJYRU-RKDXNWHRSA-N 0 3 253.277 1.921 20 5 CDBDHN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)CN1 ZINC000122908268 274369510 /nfs/dbraw/zinc/36/95/10/274369510.db2.gz KNBRVIXZTVHXBT-HTQZYQBOSA-N 0 3 270.720 1.830 20 5 CDBDHN CCN1CCCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000264828517 276157955 /nfs/dbraw/zinc/15/79/55/276157955.db2.gz ZDAZAZRNLSNQQB-SNVBAGLBSA-N 0 3 267.333 1.615 20 5 CDBDHN CC(C)=CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000514932957 280861362 /nfs/dbraw/zinc/86/13/62/280861362.db2.gz QFJRJWQPZXOPAZ-GFCCVEGCSA-N 0 3 280.324 1.890 20 5 CDBDHN CC(C)OC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000530686096 281577571 /nfs/dbraw/zinc/57/75/71/281577571.db2.gz INSDHHKHIFGOCH-UHFFFAOYSA-N 0 3 282.344 1.681 20 5 CDBDHN C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000347849789 289681095 /nfs/dbraw/zinc/68/10/95/289681095.db2.gz NJUSFIBWMPOXON-NXEZZACHSA-N 0 3 297.330 1.904 20 5 CDBDHN C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086470999 297078973 /nfs/dbraw/zinc/07/89/73/297078973.db2.gz BZWQGEHODWJYRU-BDAKNGLRSA-N 0 3 253.277 1.921 20 5 CDBDHN COC[C@](C)(O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000583316041 325150227 /nfs/dbraw/zinc/15/02/27/325150227.db2.gz QMAXINUNRCPAIH-HUUCEWRRSA-N 0 3 294.351 1.959 20 5 CDBDHN C[C@@H](NC(=O)C(N)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353136520 525264169 /nfs/dbraw/zinc/26/41/69/525264169.db2.gz XNGQSFWCXDGORP-HZGVNTEJSA-N 0 3 291.229 1.662 20 5 CDBDHN C[C@H](N[C@H](CO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763062115 576706204 /nfs/dbraw/zinc/70/62/04/576706204.db2.gz ACQVHPFDBCAAKN-TVQRCGJNSA-N 0 3 293.323 1.282 20 5 CDBDHN CCN1CCCN(c2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000892427024 618185703 /nfs/dbraw/zinc/18/57/03/618185703.db2.gz YMHOJCGFROBGKR-UHFFFAOYSA-N 0 3 291.311 1.663 20 5 CDBDHN COc1ccc(C[C@H](C)N2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335710 1162339492 /nfs/dbraw/zinc/33/94/92/1162339492.db2.gz QMDZUWJQSYVCOT-NHYWBVRUSA-N 0 3 294.351 1.991 20 5 CDBDHN COc1ccc(C[C@H](C)N2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170330337 1162338112 /nfs/dbraw/zinc/33/81/12/1162338112.db2.gz ZKNSPPVXKZEQEO-ZIBATOQPSA-N 0 3 294.351 1.847 20 5 CDBDHN COc1cccc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170567606 1162939634 /nfs/dbraw/zinc/93/96/34/1162939634.db2.gz KUEMSUSLUMROQX-JOYOIKCWSA-N 0 3 281.312 1.392 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCN[C@H]3C[C@H]32)c(Cl)c1 ZINC001580876045 1172558980 /nfs/dbraw/zinc/55/89/80/1172558980.db2.gz YJPNHIZBGPYGEW-DTWKUNHWSA-N 0 3 254.677 1.194 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000401230690 1186407691 /nfs/dbraw/zinc/40/76/91/1186407691.db2.gz MZIPRHIRJHKTAX-HRDYMLBCSA-N 0 3 283.353 1.867 20 5 CDBDHN C[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@H](C)CN1C ZINC001164634356 719222081 /nfs/dbraw/zinc/22/20/81/719222081.db2.gz GOUAKPHYEVVEQX-NXEZZACHSA-N 0 3 289.339 2.000 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000092673390 728837588 /nfs/dbraw/zinc/83/75/88/728837588.db2.gz KNOFVMSEVZPLOS-NSHDSACASA-N 0 3 292.339 1.343 20 5 CDBDHN CC(C)(C)[C@H](N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642842 728892814 /nfs/dbraw/zinc/89/28/14/728892814.db2.gz XNJRGKGUJHAXOC-SECBINFHSA-N 0 3 255.322 1.379 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000829439446 728945974 /nfs/dbraw/zinc/94/59/74/728945974.db2.gz CAEZQACVLJOGPN-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2CC[C@H](C3OCCO3)C2)c1 ZINC000719064340 728514463 /nfs/dbraw/zinc/51/44/63/728514463.db2.gz DJZDKXLWXVMHFF-LBPRGKRZSA-N 0 3 278.308 1.790 20 5 CDBDHN CN(C)[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC000839512673 729377350 /nfs/dbraw/zinc/37/73/50/729377350.db2.gz IBLGKOHQBPLUNE-GMTAPVOTSA-N 0 3 283.353 1.132 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CCO ZINC000133013770 729377485 /nfs/dbraw/zinc/37/74/85/729377485.db2.gz NVZUWDOWGTZXAB-SECBINFHSA-N 0 3 254.286 1.464 20 5 CDBDHN C[C@@H](N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000866303677 729535486 /nfs/dbraw/zinc/53/54/86/729535486.db2.gz VXKDTZKCRJONKO-VHSXEESVSA-N 0 3 297.330 1.731 20 5 CDBDHN CC(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N+](=O)[O-] ZINC000813113392 729857772 /nfs/dbraw/zinc/85/77/72/729857772.db2.gz CYMJIOZKKJYPQS-ZETCQYMHSA-N 0 3 293.235 1.898 20 5 CDBDHN CC(COC(=O)c1cccc(-n2cccn2)n1)[N+](=O)[O-] ZINC000813102530 729939634 /nfs/dbraw/zinc/93/96/34/729939634.db2.gz HRWHZFLNECLSME-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCC[C@@H]2CCO)c1 ZINC000062351219 729979553 /nfs/dbraw/zinc/97/95/53/729979553.db2.gz WSJQFUPXSPNJIQ-UKRRQHHQSA-N 0 3 294.351 1.865 20 5 CDBDHN CC(COC(=O)c1cnc2n1[C@@H](C)CCC2)[N+](=O)[O-] ZINC000845574735 730006791 /nfs/dbraw/zinc/00/67/91/730006791.db2.gz CTFSSROWLPBWAN-IUCAKERBSA-N 0 3 267.285 1.602 20 5 CDBDHN C[C@@]1(O)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598035 730058726 /nfs/dbraw/zinc/05/87/26/730058726.db2.gz OMYVVPIDNGHMJR-ZIAGYGMSSA-N 0 3 280.324 1.475 20 5 CDBDHN COc1cc(O[C@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC001226582058 905356034 /nfs/dbraw/zinc/35/60/34/905356034.db2.gz VJFXCCCEQYIZAM-JTQLQIEISA-N 0 3 281.312 1.860 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC001169026594 927666638 /nfs/dbraw/zinc/66/66/38/927666638.db2.gz NBPWODJYOLMJBK-RBSFLKMASA-N 0 3 297.399 1.228 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000776598409 927800153 /nfs/dbraw/zinc/80/01/53/927800153.db2.gz MXVWSTMKXFCWFH-XUJVJEKNSA-N 0 3 293.367 1.653 20 5 CDBDHN COc1nc(C)c(-n2ccc([C@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169234625 927848393 /nfs/dbraw/zinc/84/83/93/927848393.db2.gz ZOEZVKWKLWOTTQ-ZETCQYMHSA-N 0 3 277.284 1.512 20 5 CDBDHN NCc1ccc2c(n1)N(c1cnc([N+](=O)[O-])cn1)CCC2 ZINC001169590926 928204327 /nfs/dbraw/zinc/20/43/27/928204327.db2.gz PYRKFEYZCHENSK-UHFFFAOYSA-N 0 3 286.295 1.323 20 5 CDBDHN COc1cc(CN[C@@H](CO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000883002651 930121892 /nfs/dbraw/zinc/12/18/92/930121892.db2.gz LIVFQIYHBCWLOY-NSHDSACASA-N 0 3 296.323 1.473 20 5 CDBDHN CN(C)/C=C/c1cc(-n2cnc(CN)c2)ncc1[N+](=O)[O-] ZINC001154909351 937603493 /nfs/dbraw/zinc/60/34/93/937603493.db2.gz PYEPTPPYPZUHFW-ONEGZZNKSA-N 0 3 288.311 1.167 20 5 CDBDHN COc1cc(CCNCC[N+](=O)[O-])cc(OC)c1 ZINC001120566324 937811011 /nfs/dbraw/zinc/81/10/11/937811011.db2.gz KJXJOPQFFACYNP-UHFFFAOYSA-N 0 3 254.286 1.113 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001122477378 937935237 /nfs/dbraw/zinc/93/52/37/937935237.db2.gz VXLDNVFXPCWZNF-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN CC(C)Oc1nc(-n2ccc([C@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001158354816 938613749 /nfs/dbraw/zinc/61/37/49/938613749.db2.gz CTKASWVQBOEPBR-VIFPVBQESA-N 0 3 291.311 1.982 20 5 CDBDHN NCc1cn(-c2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC001162302427 938975108 /nfs/dbraw/zinc/97/51/08/938975108.db2.gz RFVAZXRGHWQRMB-UHFFFAOYSA-N 0 3 287.201 1.653 20 5 CDBDHN O=[N+]([O-])c1cc(N[C@H]2CN3CCC2CC3)cn2cnnc12 ZINC001163395138 939262017 /nfs/dbraw/zinc/26/20/17/939262017.db2.gz OBCQQMJGYOHZQW-NSHDSACASA-N 0 3 288.311 1.144 20 5 CDBDHN CCOc1nc(N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC001163940165 939358121 /nfs/dbraw/zinc/35/81/21/939358121.db2.gz DZJYIPDJVHPLLM-UHFFFAOYSA-N 0 3 266.301 1.139 20 5 CDBDHN CCN1CC[C@@H](Oc2cc(OC)c([N+](=O)[O-])cn2)C1 ZINC001226581340 942030451 /nfs/dbraw/zinc/03/04/51/942030451.db2.gz OPMMTDNERGSRQG-SECBINFHSA-N 0 3 267.285 1.471 20 5 CDBDHN COCCN1CCC(Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226752227 942063152 /nfs/dbraw/zinc/06/31/52/942063152.db2.gz YOALRVGXCSTJMV-UHFFFAOYSA-N 0 3 299.302 1.619 20 5 CDBDHN Cc1ccnc([N+](=O)[O-])c1OC1CCN(C)CC1 ZINC001233550708 943614940 /nfs/dbraw/zinc/61/49/40/943614940.db2.gz LQFQZCCLGGXSFD-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN CC(=O)N[C@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605555 947552255 /nfs/dbraw/zinc/55/22/55/947552255.db2.gz BOTRWGFCVGKJCD-DZGCQCFKSA-N 0 3 289.335 1.272 20 5 CDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccncc1 ZINC001344813055 964441122 /nfs/dbraw/zinc/44/11/22/964441122.db2.gz QHGYAYFQBOBLLE-SECBINFHSA-N 0 3 290.279 1.398 20 5 CDBDHN Cc1ccc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000589101841 342496841 /nfs/dbraw/zinc/49/68/41/342496841.db2.gz NTXUBYAEMDZUPF-JTQLQIEISA-N 0 3 253.302 1.238 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)CNC2CC2)cc1[N+](=O)[O-] ZINC000237631341 342064765 /nfs/dbraw/zinc/06/47/65/342064765.db2.gz ZNRWFCMYLGRSRO-JTQLQIEISA-N 0 3 277.324 1.832 20 5 CDBDHN C[C@@H](CCO)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000593109995 342769662 /nfs/dbraw/zinc/76/96/62/342769662.db2.gz PTVZEGQQYOQZIK-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN CCNC(=O)CN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000157959085 342212696 /nfs/dbraw/zinc/21/26/96/342212696.db2.gz FZWPBWNGXKQKJE-NSHDSACASA-N 0 3 279.340 1.642 20 5 CDBDHN CN(C(=O)c1c(F)cccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000600886818 342253396 /nfs/dbraw/zinc/25/33/96/342253396.db2.gz QJQSLNZTNCTVRS-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN C[C@H](C[C@H](C)O)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611931595 346910069 /nfs/dbraw/zinc/91/00/69/346910069.db2.gz BGWZDBQYMXGZJT-ZJUUUORDSA-N 0 3 296.323 1.615 20 5 CDBDHN COc1ccc(CN[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595001314 342995335 /nfs/dbraw/zinc/99/53/35/342995335.db2.gz UROFIIHRBVTJRP-MGCOHNPYSA-N 0 3 252.270 1.216 20 5 CDBDHN Cc1noc(CN2CCC[C@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000595308603 343032269 /nfs/dbraw/zinc/03/22/69/343032269.db2.gz LCYKOCLCBTZABW-LBPRGKRZSA-N 0 3 294.355 1.951 20 5 CDBDHN CCN1CCCN(Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595534698 343091583 /nfs/dbraw/zinc/09/15/83/343091583.db2.gz FALIOLILBRHCOX-SNVBAGLBSA-N 0 3 282.344 1.807 20 5 CDBDHN CN1CC=C(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342935230 362106543 /nfs/dbraw/zinc/10/65/43/362106543.db2.gz SEEJDJZWQKFPSD-UHFFFAOYSA-N 0 3 290.323 1.368 20 5 CDBDHN Cc1cnc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078658312 342339107 /nfs/dbraw/zinc/33/91/07/342339107.db2.gz ODRIODLYUHWDDR-LBPRGKRZSA-N 0 3 276.340 1.973 20 5 CDBDHN O=C1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744311 343150542 /nfs/dbraw/zinc/15/05/42/343150542.db2.gz VTZTVUGCJBMUKO-GXTWGEPZSA-N 0 3 289.335 1.695 20 5 CDBDHN COCC[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596090271 343233939 /nfs/dbraw/zinc/23/39/39/343233939.db2.gz NWXJWBFKPQLKHR-UHFFFAOYSA-N 0 3 296.327 1.218 20 5 CDBDHN Cc1cc(N[C@@H]2CCCN(CCCO)C2)ncc1[N+](=O)[O-] ZINC000294989826 199287110 /nfs/dbraw/zinc/28/71/10/199287110.db2.gz QEZIAAMVNUPELI-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN Cc1nn(C)c(N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596335215 343298014 /nfs/dbraw/zinc/29/80/14/343298014.db2.gz HESCDBBVWVLGQS-SNVBAGLBSA-N 0 3 281.360 1.921 20 5 CDBDHN C[C@H](NCC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090606697 342396767 /nfs/dbraw/zinc/39/67/67/342396767.db2.gz ZKSUKDNVQJGRED-JTQLQIEISA-N 0 3 266.297 1.254 20 5 CDBDHN C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598646667 343856415 /nfs/dbraw/zinc/85/64/15/343856415.db2.gz WINVFKOECNRMSJ-STQMWFEESA-N 0 3 294.351 1.924 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CCCOC1 ZINC000602833863 344615288 /nfs/dbraw/zinc/61/52/88/344615288.db2.gz WRBIALVIYAZQJV-NSHDSACASA-N 0 3 268.317 1.211 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)[C@@](C)(CO)C1 ZINC000602902064 344655146 /nfs/dbraw/zinc/65/51/46/344655146.db2.gz FOUGIFVOEVPVCN-GXFFZTMASA-N 0 3 282.344 1.050 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@H](CO)C1 ZINC000602914146 344647426 /nfs/dbraw/zinc/64/74/26/344647426.db2.gz RUFIPKOTGPJKOE-PWSUYJOCSA-N 0 3 282.344 1.050 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CSCCN1 ZINC000603421290 344800201 /nfs/dbraw/zinc/80/02/01/344800201.db2.gz ZGJMBYYTADVEST-QMMMGPOBSA-N 0 3 288.760 1.760 20 5 CDBDHN CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159721851 362510156 /nfs/dbraw/zinc/51/01/56/362510156.db2.gz GXWOGLSXZWHMLP-GFCCVEGCSA-N 0 3 279.340 1.879 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](O)CC2)c1 ZINC000293029485 362526340 /nfs/dbraw/zinc/52/63/40/362526340.db2.gz GDSQWIVEERXHHT-CYBMUJFWSA-N 0 3 280.324 1.820 20 5 CDBDHN O=[N+]([O-])c1cccc(N2CCN(CC3(O)CCC3)CC2)c1 ZINC000610705956 346365729 /nfs/dbraw/zinc/36/57/29/346365729.db2.gz VBNFMSVYODAYBR-UHFFFAOYSA-N 0 3 291.351 1.632 20 5 CDBDHN Cc1cc(N2CC[C@@H](OCCN(C)C)C2)ncc1[N+](=O)[O-] ZINC000611132784 346617077 /nfs/dbraw/zinc/61/70/77/346617077.db2.gz MYOBIQKHPVMEGO-GFCCVEGCSA-N 0 3 294.355 1.455 20 5 CDBDHN Cc1c(C(=O)NC[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000025149379 348619916 /nfs/dbraw/zinc/61/99/16/348619916.db2.gz LPQAGRREBSXTTC-VIFPVBQESA-N 0 3 265.313 1.583 20 5 CDBDHN CC(C)[C@H](CCO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273987625 192392116 /nfs/dbraw/zinc/39/21/16/192392116.db2.gz JINGMWSYGIOVJT-NSHDSACASA-N 0 3 295.339 1.530 20 5 CDBDHN COC[C@@H](O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090950123 180071670 /nfs/dbraw/zinc/07/16/70/180071670.db2.gz IJPVSBLEQBAVIZ-RYUDHWBXSA-N 0 3 282.340 1.951 20 5 CDBDHN CC[C@H](C)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000313033710 350812847 /nfs/dbraw/zinc/81/28/47/350812847.db2.gz QKZWKNBOPJCCOW-JTQLQIEISA-N 0 3 279.344 1.493 20 5 CDBDHN NC(=O)[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000154991345 188175480 /nfs/dbraw/zinc/17/54/80/188175480.db2.gz ONPGWHUSIUJENJ-YIALFULDSA-N 0 3 289.335 1.805 20 5 CDBDHN COC[C@@H]1C[C@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000411926114 363380561 /nfs/dbraw/zinc/38/05/61/363380561.db2.gz UXPBORSUDPVAPN-KBPBESRZSA-N 0 3 280.324 1.219 20 5 CDBDHN Cc1c(CN2C[C@@H](C)[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000286252315 356236621 /nfs/dbraw/zinc/23/66/21/356236621.db2.gz QTGPHBVWEZDSMO-BXKDBHETSA-N 0 3 277.324 1.456 20 5 CDBDHN CN1CCC[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134612105 356361992 /nfs/dbraw/zinc/36/19/92/356361992.db2.gz AFRIGMZBTVYYDN-JTQLQIEISA-N 0 3 250.302 1.744 20 5 CDBDHN COCCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000036926654 356891384 /nfs/dbraw/zinc/89/13/84/356891384.db2.gz RYDPGYHDBUTXPM-UHFFFAOYSA-N 0 3 254.286 1.730 20 5 CDBDHN COC(=O)[C@@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000048335821 357178490 /nfs/dbraw/zinc/17/84/90/357178490.db2.gz QGOPNACCBLUEHX-JTQLQIEISA-N 0 3 266.297 1.836 20 5 CDBDHN CCN1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341369186 357239020 /nfs/dbraw/zinc/23/90/20/357239020.db2.gz XUUYJEZSGMVOJF-UHFFFAOYSA-N 0 3 292.339 1.590 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000286895370 358024892 /nfs/dbraw/zinc/02/48/92/358024892.db2.gz GOCIFVRUWDZHFW-ZETCQYMHSA-N 0 3 257.315 1.336 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189831667 358041680 /nfs/dbraw/zinc/04/16/80/358041680.db2.gz OXEGGDFWSZWMMT-UHFFFAOYSA-N 0 3 292.339 1.343 20 5 CDBDHN COC(=O)c1cc(C)nc(NCCN(C)C)c1[N+](=O)[O-] ZINC000287060577 358090465 /nfs/dbraw/zinc/09/04/65/358090465.db2.gz SKUJDRWAMLDYAI-UHFFFAOYSA-N 0 3 282.300 1.058 20 5 CDBDHN COc1ccc(CN[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000135309113 358168749 /nfs/dbraw/zinc/16/87/49/358168749.db2.gz PPDMTUCLVWERNV-MWLCHTKSSA-N 0 3 266.297 1.870 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000192169989 358179695 /nfs/dbraw/zinc/17/96/95/358179695.db2.gz UBCXOFDBXIBBHO-LLVKDONJSA-N 0 3 297.380 1.584 20 5 CDBDHN COCC[C@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123908 358630754 /nfs/dbraw/zinc/63/07/54/358630754.db2.gz VFFMKBSZMZQUOA-MFKMUULPSA-N 0 3 280.324 1.569 20 5 CDBDHN Cc1c(OC[C@H](O)CN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000290844721 358677331 /nfs/dbraw/zinc/67/73/31/358677331.db2.gz WMQWNFPGDKQRRU-GFCCVEGCSA-N 0 3 280.324 1.737 20 5 CDBDHN COC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243348 358750410 /nfs/dbraw/zinc/75/04/10/358750410.db2.gz CUSJTZOFGAMUSO-LLVKDONJSA-N 0 3 268.317 1.150 20 5 CDBDHN CCN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000037977425 359471083 /nfs/dbraw/zinc/47/10/83/359471083.db2.gz IRQRGHMKYZHBDZ-UHFFFAOYSA-N 0 3 250.302 1.886 20 5 CDBDHN CCO[C@H]1COCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000353190638 359580802 /nfs/dbraw/zinc/58/08/02/359580802.db2.gz OLRNCPLZCPRLGA-KBPBESRZSA-N 0 3 280.324 1.878 20 5 CDBDHN Cc1cc(NCCN(C)C2CC2)ncc1[N+](=O)[O-] ZINC000073000405 359943249 /nfs/dbraw/zinc/94/32/49/359943249.db2.gz DCJAJPIRDPFBHF-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN COC(=O)c1cc(NC(=O)CNC(C)C)cc([N+](=O)[O-])c1 ZINC000581678496 364016655 /nfs/dbraw/zinc/01/66/55/364016655.db2.gz QEJDPVJEMGFGFO-UHFFFAOYSA-N 0 3 295.295 1.318 20 5 CDBDHN COC[C@@H](CCO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293738481 364464085 /nfs/dbraw/zinc/46/40/85/364464085.db2.gz NJJSQPSGESNZMQ-GXSJLCMTSA-N 0 3 283.328 1.225 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000168686835 370794154 /nfs/dbraw/zinc/79/41/54/370794154.db2.gz GWQMBOZFGSGFSW-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN CCCN1CCC(N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270727883 366926147 /nfs/dbraw/zinc/92/61/47/366926147.db2.gz BPUTVZQQBFKYAW-UHFFFAOYSA-N 0 3 295.343 1.264 20 5 CDBDHN CS[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271117094 366969700 /nfs/dbraw/zinc/96/97/00/366969700.db2.gz RBAOQKSDXQFGSO-QWRGUYRKSA-N 0 3 296.396 1.780 20 5 CDBDHN C[C@H](O)[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000272565680 367775118 /nfs/dbraw/zinc/77/51/18/367775118.db2.gz MHZONLVZOYMNAV-SUHUHFCYSA-N 0 3 280.324 1.331 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCO)C2CCC2)c1 ZINC000275913094 193161844 /nfs/dbraw/zinc/16/18/44/193161844.db2.gz XUECCBZSBDSNKI-AWEZNQCLSA-N 0 3 280.324 1.475 20 5 CDBDHN C[C@H](CCN1CCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000076898117 368069182 /nfs/dbraw/zinc/06/91/82/368069182.db2.gz OYFJRSMCMSBFJC-CYBMUJFWSA-N 0 3 293.367 1.795 20 5 CDBDHN CCN1CCC[C@@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420578044 244264134 /nfs/dbraw/zinc/26/41/34/244264134.db2.gz CEFVDJKJKBIQMA-SNVBAGLBSA-N 0 3 292.339 1.590 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037646938 369496068 /nfs/dbraw/zinc/49/60/68/369496068.db2.gz HZCYPUXGOMUDOB-SECBINFHSA-N 0 3 297.742 1.930 20 5 CDBDHN CC(C)[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766506 370079513 /nfs/dbraw/zinc/07/95/13/370079513.db2.gz PHYGLOHTLYVZOH-BXKDBHETSA-N 0 3 265.313 1.755 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423473655 374383791 /nfs/dbraw/zinc/38/37/91/374383791.db2.gz HKWUGOMNAGNCHL-JSGCOSHPSA-N 0 3 292.383 1.457 20 5 CDBDHN NC(=O)CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080014384 374437472 /nfs/dbraw/zinc/43/74/72/374437472.db2.gz BKTFLGTXVABIGZ-UHFFFAOYSA-N 0 3 291.351 1.725 20 5 CDBDHN COCC[C@]1(NCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000447387167 374701809 /nfs/dbraw/zinc/70/18/09/374701809.db2.gz SZSVTIKBNWQPBP-AWEZNQCLSA-N 0 3 280.324 1.880 20 5 CDBDHN CCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154678574 374734306 /nfs/dbraw/zinc/73/43/06/374734306.db2.gz KMPPQHXQZAEFCP-UHFFFAOYSA-N 0 3 283.303 1.344 20 5 CDBDHN Cc1ccc(NC(=O)[C@H]2CCCCN2)cc1[N+](=O)[O-] ZINC000019503878 374743704 /nfs/dbraw/zinc/74/37/04/374743704.db2.gz NKUQXLUCXKVPRF-LLVKDONJSA-N 0 3 263.297 1.984 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000331159492 374897259 /nfs/dbraw/zinc/89/72/59/374897259.db2.gz DWUDZMRHTKOEOW-CHWSQXEVSA-N 0 3 291.351 1.908 20 5 CDBDHN CC(C)[C@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331234594 374912530 /nfs/dbraw/zinc/91/25/30/374912530.db2.gz DBIUQOCXGZBVKV-CYBMUJFWSA-N 0 3 281.360 1.063 20 5 CDBDHN C[C@@]1(O)CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000280119906 374981545 /nfs/dbraw/zinc/98/15/45/374981545.db2.gz PXVZIWXBHJHURF-GFCCVEGCSA-N 0 3 268.317 1.028 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)[C@H]2CCOC2)cs1 ZINC000280382614 374995057 /nfs/dbraw/zinc/99/50/57/374995057.db2.gz VVTYFQMVCPUXEO-QWRGUYRKSA-N 0 3 286.353 1.391 20 5 CDBDHN Cc1nn(C)c(N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000227497694 375543631 /nfs/dbraw/zinc/54/36/31/375543631.db2.gz URSHFVKPLVZEJE-WPRPVWTQSA-N 0 3 267.333 1.531 20 5 CDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000353488721 375619635 /nfs/dbraw/zinc/61/96/35/375619635.db2.gz OUDULTNKURHEEC-UHFFFAOYSA-N 0 3 293.323 1.379 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N(C)C1CC1 ZINC000263933319 190085994 /nfs/dbraw/zinc/08/59/94/190085994.db2.gz DNRGXDBTTUMZDW-MRVPVSSYSA-N 0 3 266.301 1.135 20 5 CDBDHN COc1cc(C[NH2+]C[C@](C)(O)C(C)C)c([N+](=O)[O-])cc1[O-] ZINC000171842611 377095782 /nfs/dbraw/zinc/09/57/82/377095782.db2.gz FBVMUEPSCWGKBJ-AWEZNQCLSA-N 0 3 298.339 1.806 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cn1 ZINC000265228341 190167443 /nfs/dbraw/zinc/16/74/43/190167443.db2.gz QDTHJQZIQWRLHQ-NSHDSACASA-N 0 3 264.329 1.768 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCC[C@H]1O ZINC000245553342 378476938 /nfs/dbraw/zinc/47/69/38/378476938.db2.gz RGZVTZWBUOMUCL-NWDGAFQWSA-N 0 3 282.344 1.274 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246521529 379596649 /nfs/dbraw/zinc/59/66/49/379596649.db2.gz FTTAZMBHGYOOTK-WCQYABFASA-N 0 3 280.328 1.292 20 5 CDBDHN COC(=O)Cc1ccc(SCCN(C)C)c([N+](=O)[O-])c1 ZINC000450380908 251253979 /nfs/dbraw/zinc/25/39/79/251253979.db2.gz SKJBFQTZKRWIIL-UHFFFAOYSA-N 0 3 298.364 1.964 20 5 CDBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CCC[NH2+]C3)[n-]c2c1 ZINC000094772356 285141338 /nfs/dbraw/zinc/14/13/38/285141338.db2.gz FFAORFRGDFOWNO-SECBINFHSA-N 0 3 262.269 1.602 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2CO)cc1 ZINC000049750846 390472797 /nfs/dbraw/zinc/47/27/97/390472797.db2.gz GJTMULIAJCZBBC-CYBMUJFWSA-N 0 3 250.298 1.942 20 5 CDBDHN CN(C)C1CN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286574246 390521258 /nfs/dbraw/zinc/52/12/58/390521258.db2.gz RVOYNZXLSXLAGI-UHFFFAOYSA-N 0 3 279.325 1.350 20 5 CDBDHN CCOC1CC(O)(CNCc2ccccc2[N+](=O)[O-])C1 ZINC000277693153 391164591 /nfs/dbraw/zinc/16/45/91/391164591.db2.gz KRDZELWWTXEQLX-UHFFFAOYSA-N 0 3 280.324 1.614 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236927511 391338759 /nfs/dbraw/zinc/33/87/59/391338759.db2.gz SXJXVRFEKAPUSE-MFKMUULPSA-N 0 3 294.355 1.496 20 5 CDBDHN CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1C ZINC000487121692 391991470 /nfs/dbraw/zinc/99/14/70/391991470.db2.gz UMQRAISTWZOPOV-LBPRGKRZSA-N 0 3 264.329 1.766 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC2(CO)CCSCC2)c1 ZINC000459739461 392502389 /nfs/dbraw/zinc/50/23/89/392502389.db2.gz YLTXSAVXJXGJOM-UHFFFAOYSA-N 0 3 282.365 1.943 20 5 CDBDHN NC(=O)CC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000421353410 392933494 /nfs/dbraw/zinc/93/34/94/392933494.db2.gz SPVAUZGYHGPKLY-UHFFFAOYSA-N 0 3 263.297 1.340 20 5 CDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)[C@@H]2C1 ZINC000425050582 392985276 /nfs/dbraw/zinc/98/52/76/392985276.db2.gz RFUFMLVUPUTROY-VHSXEESVSA-N 0 3 279.296 1.354 20 5 CDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000425046829 392986344 /nfs/dbraw/zinc/98/63/44/392986344.db2.gz LNXNUMWWGPWWTK-GXTWGEPZSA-N 0 3 289.335 1.761 20 5 CDBDHN CC(C)NC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058752 393129574 /nfs/dbraw/zinc/12/95/74/393129574.db2.gz LTIKFYCWCRGGNY-LLVKDONJSA-N 0 3 279.340 1.640 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCn2ccnc2C1 ZINC000494426747 393231707 /nfs/dbraw/zinc/23/17/07/393231707.db2.gz CLRQQLFHWRQHPI-LBPRGKRZSA-N 0 3 272.308 1.896 20 5 CDBDHN CC(C)(NC(=O)[C@@]1(F)CCNC1)c1ccc([N+](=O)[O-])cc1 ZINC000162242773 393204246 /nfs/dbraw/zinc/20/42/46/393204246.db2.gz APKQYQWEJJUBIL-CQSZACIVSA-N 0 3 295.314 1.648 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000037669800 393324089 /nfs/dbraw/zinc/32/40/89/393324089.db2.gz AHVYCGNKMSHIIJ-SECBINFHSA-N 0 3 281.287 1.415 20 5 CDBDHN CN(C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234249374 140228299 /nfs/dbraw/zinc/22/82/99/140228299.db2.gz CCTZROCIKWRMSO-UHFFFAOYSA-N 0 3 278.234 1.982 20 5 CDBDHN COCCNCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000237318366 140252520 /nfs/dbraw/zinc/25/25/20/140252520.db2.gz GIQLCJHQTUZWSG-UHFFFAOYSA-N 0 3 299.302 1.008 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000252852245 140325999 /nfs/dbraw/zinc/32/59/99/140325999.db2.gz GCMFZXXKVSYUAM-UBHSHLNASA-N 0 3 262.309 1.798 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000252852242 140326438 /nfs/dbraw/zinc/32/64/38/140326438.db2.gz GCMFZXXKVSYUAM-FPMFFAJLSA-N 0 3 262.309 1.798 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](N)CC(F)F ZINC000311361625 149211680 /nfs/dbraw/zinc/21/16/80/149211680.db2.gz HOTFSGMXNBNLPK-MRVPVSSYSA-N 0 3 273.239 1.824 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000344008274 152387064 /nfs/dbraw/zinc/38/70/64/152387064.db2.gz AMERUHZZVRDUER-TUKIKUTGSA-N 0 3 292.335 1.676 20 5 CDBDHN C[C@H]1CSC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000352815505 155456296 /nfs/dbraw/zinc/45/62/96/155456296.db2.gz KQOYMNRBXZUMQH-YUMQZZPRSA-N 0 3 256.331 1.169 20 5 CDBDHN CCOC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361892631 159010874 /nfs/dbraw/zinc/01/08/74/159010874.db2.gz LTWWMJCCBBOHLL-VXGBXAGGSA-N 0 3 282.340 1.951 20 5 CDBDHN O=C(CCN1CCCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000363379432 159322954 /nfs/dbraw/zinc/32/29/54/159322954.db2.gz QDINLYRQWMPEKT-UHFFFAOYSA-N 0 3 293.323 1.646 20 5 CDBDHN CCC[C@@](C)(N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668519 173610636 /nfs/dbraw/zinc/61/06/36/173610636.db2.gz FRGIGCFACLZXQB-CYBMUJFWSA-N 0 3 265.313 1.729 20 5 CDBDHN Cc1ccc(CNCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000038047611 174057537 /nfs/dbraw/zinc/05/75/37/174057537.db2.gz GDTSXAAODDKRQM-UHFFFAOYSA-N 0 3 286.353 1.428 20 5 CDBDHN C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])N(C)C ZINC000038108659 174122251 /nfs/dbraw/zinc/12/22/51/174122251.db2.gz ZUBQWDOVGIGUJW-MRVPVSSYSA-N 0 3 269.276 1.414 20 5 CDBDHN CO[C@H]1CN[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000040633264 174359331 /nfs/dbraw/zinc/35/93/31/174359331.db2.gz LNVRUGQRJMMUNP-SCZZXKLOSA-N 0 3 283.259 1.049 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)c2nonc21 ZINC000044417233 175173460 /nfs/dbraw/zinc/17/34/60/175173460.db2.gz BYOXLQNXHDNNQE-QMMMGPOBSA-N 0 3 289.295 1.780 20 5 CDBDHN CCCN(C)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521356225 260085632 /nfs/dbraw/zinc/08/56/32/260085632.db2.gz OPMMODWWTLULLR-UHFFFAOYSA-N 0 3 295.339 1.432 20 5 CDBDHN Nc1nc(NC2CCN(C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000076577968 424631137 /nfs/dbraw/zinc/63/11/37/424631137.db2.gz PBCVTCGUCJTWHI-UHFFFAOYSA-N 0 3 278.316 1.006 20 5 CDBDHN CC(C)(CC[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000397333794 270349039 /nfs/dbraw/zinc/34/90/39/270349039.db2.gz AJXDMSFPELGWQW-UHFFFAOYSA-N 0 3 287.341 1.001 20 5 CDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413217297 273792645 /nfs/dbraw/zinc/79/26/45/273792645.db2.gz YMDIIUHGJNVPLM-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN CN1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023830 277158416 /nfs/dbraw/zinc/15/84/16/277158416.db2.gz WGUUPYVNKDDWCL-ZYHUDNBSSA-N 0 3 277.328 1.305 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000353850412 279277345 /nfs/dbraw/zinc/27/73/45/279277345.db2.gz WTYNKVBDVAPFOW-LLVKDONJSA-N 0 3 294.355 1.387 20 5 CDBDHN Cc1cc(C(=O)NC[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000108336870 279305365 /nfs/dbraw/zinc/30/53/65/279305365.db2.gz CXDGSZCGDDODLK-LBPRGKRZSA-N 0 3 291.351 1.975 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCNCC1 ZINC000044375420 281016444 /nfs/dbraw/zinc/01/64/44/281016444.db2.gz LMCIVRQKDORVAP-UHFFFAOYSA-N 0 3 263.297 1.339 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOCCO ZINC000567915576 293906903 /nfs/dbraw/zinc/90/69/03/293906903.db2.gz XORKEJUBTXFGPF-LBPRGKRZSA-N 0 3 266.297 1.181 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCC[C@H]2F)c1 ZINC000573238208 294780064 /nfs/dbraw/zinc/78/00/64/294780064.db2.gz UHYQDXATVVOHME-BNOWGMLFSA-N 0 3 298.314 1.815 20 5 CDBDHN Cc1nn(C)c(N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376261178 302786459 /nfs/dbraw/zinc/78/64/59/302786459.db2.gz XYYGASOXOVASEC-PWSUYJOCSA-N 0 3 293.371 1.700 20 5 CDBDHN CN1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000351139311 316239794 /nfs/dbraw/zinc/23/97/94/316239794.db2.gz AGLBLFHSYZYXAT-SSDOTTSWSA-N 0 3 264.241 1.657 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000563930234 316399044 /nfs/dbraw/zinc/39/90/44/316399044.db2.gz LTTHJKZMSZUUHP-ZJUUUORDSA-N 0 3 293.327 1.017 20 5 CDBDHN CNc1c(C(=O)N[C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000161517427 522540754 /nfs/dbraw/zinc/54/07/54/522540754.db2.gz KUFZLOFMGAURKR-SECBINFHSA-N 0 3 280.328 1.316 20 5 CDBDHN CC[C@@H](N[C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018592 522945708 /nfs/dbraw/zinc/94/57/08/522945708.db2.gz IGWSPPRNDWICLV-WCQYABFASA-N 0 3 277.324 1.914 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCCOCC2)cc1 ZINC000363377453 527347532 /nfs/dbraw/zinc/34/75/32/527347532.db2.gz BTXXLUACSQUSCZ-UHFFFAOYSA-N 0 3 250.298 1.860 20 5 CDBDHN O=[N+]([O-])c1cnc(NCCN2CCCCC2)nc1 ZINC000049575246 527409293 /nfs/dbraw/zinc/40/92/93/527409293.db2.gz IOBWKZWNNRPBFW-UHFFFAOYSA-N 0 3 251.290 1.283 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313699240 545541591 /nfs/dbraw/zinc/54/15/91/545541591.db2.gz SCFCBDSOOGBTHD-LLVKDONJSA-N 0 3 279.275 1.784 20 5 CDBDHN CN(C)C1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000271743466 574921651 /nfs/dbraw/zinc/92/16/51/574921651.db2.gz RNRKEYDRVVMBQL-UHFFFAOYSA-N 0 3 290.323 1.230 20 5 CDBDHN C[C@@H]1CCCN1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000744348555 576676678 /nfs/dbraw/zinc/67/66/78/576676678.db2.gz UWFKTNNHGXCZPN-SECBINFHSA-N 0 3 283.353 1.870 20 5 CDBDHN Nc1ccc(C(=O)OCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000747684229 576880377 /nfs/dbraw/zinc/88/03/77/576880377.db2.gz YGICRYYHCBYDSZ-UHFFFAOYSA-N 0 3 293.323 1.820 20 5 CDBDHN COc1c(O)ccc(CNC[C@@]2(C)CCCO2)c1[N+](=O)[O-] ZINC000893148204 617411195 /nfs/dbraw/zinc/41/11/95/617411195.db2.gz MSPUOPVODNRAFR-CQSZACIVSA-N 0 3 296.323 1.968 20 5 CDBDHN CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934011516 617840555 /nfs/dbraw/zinc/84/05/55/617840555.db2.gz MTCAROMIPYNQNL-UONOGXRCSA-N 0 3 291.351 1.718 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]1CO ZINC000934021500 617861023 /nfs/dbraw/zinc/86/10/23/617861023.db2.gz OHYWEGNWCNSOOG-GFCCVEGCSA-N 0 3 293.323 1.298 20 5 CDBDHN CN1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893936084 618196093 /nfs/dbraw/zinc/19/60/93/618196093.db2.gz VEFSWYLUQUCHCZ-TVQRCGJNSA-N 0 3 292.295 1.643 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccn(-c2ccc(F)cc2)n1 ZINC000905140552 626653522 /nfs/dbraw/zinc/65/35/22/626653522.db2.gz WMRIOODVBXQVAN-UHFFFAOYSA-N 0 3 278.287 1.420 20 5 CDBDHN O=[N+]([O-])CCN[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000905278526 626733231 /nfs/dbraw/zinc/73/32/31/626733231.db2.gz IFGQNFUNOBWESW-VXGBXAGGSA-N 0 3 251.286 1.168 20 5 CDBDHN O=C(N[C@H]1CCNC[C@@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001580616875 1172485755 /nfs/dbraw/zinc/48/57/55/1172485755.db2.gz NISDFBLHEYJMIM-QWRGUYRKSA-N 0 3 285.250 1.164 20 5 CDBDHN C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])[NH+](C)C ZINC001591724159 1173691431 /nfs/dbraw/zinc/69/14/31/1173691431.db2.gz PYYRZAUSQCRUTL-QMMMGPOBSA-N 0 3 291.315 1.137 20 5 CDBDHN C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])[NH+](C)C ZINC001591724159 1173691435 /nfs/dbraw/zinc/69/14/35/1173691435.db2.gz PYYRZAUSQCRUTL-QMMMGPOBSA-N 0 3 291.315 1.137 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000859570638 730528303 /nfs/dbraw/zinc/52/83/03/730528303.db2.gz GLDRYKLGCGSUOQ-CYBMUJFWSA-N 0 3 280.324 1.597 20 5 CDBDHN COCC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776583110 730919599 /nfs/dbraw/zinc/91/95/99/730919599.db2.gz WRYWPCCROXUSCS-HNNXBMFYSA-N 0 3 294.351 1.987 20 5 CDBDHN CN1CC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000712579982 730941787 /nfs/dbraw/zinc/94/17/87/730941787.db2.gz MCJKKKNODNJHSJ-NSHDSACASA-N 0 3 253.277 1.528 20 5 CDBDHN CCN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776276883 731126679 /nfs/dbraw/zinc/12/66/79/731126679.db2.gz KZPSQSBGVMEPHZ-DOMZBBRYSA-N 0 3 293.367 1.654 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCNC(=O)C1CC1 ZINC000873007690 731298308 /nfs/dbraw/zinc/29/83/08/731298308.db2.gz AIYCTMZELOZHBO-UHFFFAOYSA-N 0 3 291.351 1.827 20 5 CDBDHN CC[C@@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495258 731455731 /nfs/dbraw/zinc/45/57/31/731455731.db2.gz PYLKNJMJQBGBKC-SNVBAGLBSA-N 0 3 263.297 1.530 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(CO)CC2)cc1 ZINC000776579348 731486199 /nfs/dbraw/zinc/48/61/99/731486199.db2.gz NSSOIDMRZIXWKD-AWEZNQCLSA-N 0 3 280.324 1.333 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3C[C@H]3C2)c1 ZINC000852636503 731739065 /nfs/dbraw/zinc/73/90/65/731739065.db2.gz VXNAUDCHURBSFD-VHRBIJSZSA-N 0 3 262.309 1.970 20 5 CDBDHN Cn1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000105909045 731821779 /nfs/dbraw/zinc/82/17/79/731821779.db2.gz DXCZTXJDAHZHGD-CYBMUJFWSA-N 0 3 276.296 1.152 20 5 CDBDHN CC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)nc1C ZINC000813112141 731945392 /nfs/dbraw/zinc/94/53/92/731945392.db2.gz CHLNIMCYWNUDGZ-ZETCQYMHSA-N 0 3 280.280 1.723 20 5 CDBDHN CC(C)NC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103866 731995106 /nfs/dbraw/zinc/99/51/06/731995106.db2.gz HMEJOBMTROHVNK-SNVBAGLBSA-N 0 3 294.307 1.647 20 5 CDBDHN CC(COC(=O)[C@@H](C)Oc1ccccn1)[N+](=O)[O-] ZINC000835456165 732350784 /nfs/dbraw/zinc/35/07/84/732350784.db2.gz SBQSPCFJHOBKEW-RKDXNWHRSA-N 0 3 254.242 1.057 20 5 CDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OC)c1OC ZINC000813110772 732651718 /nfs/dbraw/zinc/65/17/18/732651718.db2.gz IYCQKIBHBZYIQI-MRVPVSSYSA-N 0 3 299.279 1.534 20 5 CDBDHN CC[C@@]1(O)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313727 732931908 /nfs/dbraw/zinc/93/19/08/732931908.db2.gz OFPWFLNMXHILJE-LSDHHAIUSA-N 0 3 294.351 1.865 20 5 CDBDHN CC1(C)CNC(=O)[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000931663284 732942322 /nfs/dbraw/zinc/94/23/22/732942322.db2.gz JOUKEHQQWWAHJN-GFCCVEGCSA-N 0 3 293.323 1.088 20 5 CDBDHN Cc1c(CNC2([C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000877637436 1166070299 /nfs/dbraw/zinc/07/02/99/1166070299.db2.gz HVFXZHULTYPKER-SNVBAGLBSA-N 0 3 250.298 1.906 20 5 CDBDHN O=C(/C=C/C1CC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125237288 936358346 /nfs/dbraw/zinc/35/83/46/936358346.db2.gz RBWSSECUNSXBLS-VMPITWQZSA-N 0 3 289.335 1.767 20 5 CDBDHN CC(COC(=O)[C@@H]1CC12CCSCC2)[N+](=O)[O-] ZINC000835456198 936734489 /nfs/dbraw/zinc/73/44/89/936734489.db2.gz SVQSAKUGIJUECL-IUCAKERBSA-N 0 3 259.327 1.728 20 5 CDBDHN COC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1C ZINC000689571631 936770185 /nfs/dbraw/zinc/77/01/85/936770185.db2.gz QDVOBMXFBVLMQX-UHFFFAOYSA-N 0 3 281.312 1.691 20 5 CDBDHN COCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001230940667 925588722 /nfs/dbraw/zinc/58/87/22/925588722.db2.gz XTTRSBFBNUSGIN-UHFFFAOYSA-N 0 3 295.339 1.179 20 5 CDBDHN CC(=O)[C@@H]1CCCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039107 927651117 /nfs/dbraw/zinc/65/11/17/927651117.db2.gz NBNCSICQZRUVLF-XQQFMLRXSA-N 0 3 254.330 1.875 20 5 CDBDHN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056327 927671272 /nfs/dbraw/zinc/67/12/72/927671272.db2.gz RVJXZZXNDGCNCA-BNDIWNMDSA-N 0 3 282.340 1.458 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ncc3cccc([N+](=O)[O-])c3n2)n1 ZINC001169231714 927841188 /nfs/dbraw/zinc/84/11/88/927841188.db2.gz QKHGNGBXORDOHK-MRVPVSSYSA-N 0 3 284.279 1.743 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ccc(N(C)C)cc2[N+](=O)[O-])n1 ZINC001169232252 927846792 /nfs/dbraw/zinc/84/67/92/927846792.db2.gz BVRNKZUNNAXQSM-SECBINFHSA-N 0 3 275.312 1.866 20 5 CDBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000884824113 930637316 /nfs/dbraw/zinc/63/73/16/930637316.db2.gz RRRPUOBFUYENBC-UHFFFAOYSA-N 0 3 290.323 1.479 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC001123502406 936172104 /nfs/dbraw/zinc/17/21/04/936172104.db2.gz YAXQSIBDZQRRBH-UHFFFAOYSA-N 0 3 289.291 1.707 20 5 CDBDHN Cc1cc(CN)nn1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001156039213 938312963 /nfs/dbraw/zinc/31/29/63/938312963.db2.gz PCUAPFJOCSETCG-UHFFFAOYSA-N 0 3 284.279 1.491 20 5 CDBDHN Cc1nc(N[C@@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159489614 938732278 /nfs/dbraw/zinc/73/22/78/938732278.db2.gz PVCYOIAUCGGMER-GXSJLCMTSA-N 0 3 266.301 1.087 20 5 CDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1-n1cnc(CN)c1 ZINC001162304091 938975703 /nfs/dbraw/zinc/97/57/03/938975703.db2.gz IQOFKTZZAMDRGH-UHFFFAOYSA-N 0 3 290.279 1.416 20 5 CDBDHN NCc1ccnn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001162593989 939099376 /nfs/dbraw/zinc/09/93/76/939099376.db2.gz WVSCOWZFSFVKIL-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN CCN(CC)CCNC(=N)Nc1ncc([N+](=O)[O-])cc1F ZINC001163126007 939207067 /nfs/dbraw/zinc/20/70/67/939207067.db2.gz MQHDTVFPKPIOIX-UHFFFAOYSA-N 0 3 298.322 1.407 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)nc(-n2cnc3c2CNCC3)c1 ZINC001164310171 939451173 /nfs/dbraw/zinc/45/11/73/939451173.db2.gz KGXKSLUHMYAJRG-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN O=[N+]([O-])c1cnc(-n2cnc3c2CNCC3)c(Cl)c1 ZINC001164310300 939451362 /nfs/dbraw/zinc/45/13/62/939451362.db2.gz OUUOUIBPTQYSAI-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN CCN1CCC[C@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225633545 941892309 /nfs/dbraw/zinc/89/23/09/941892309.db2.gz QCHAYYXPJUEVOX-NSHDSACASA-N 0 3 251.286 1.853 20 5 CDBDHN CCN1CC[C@H](Oc2ccc(C)nc2[N+](=O)[O-])C1 ZINC001227222598 942152235 /nfs/dbraw/zinc/15/22/35/942152235.db2.gz SGUDKNZNHWZVOE-JTQLQIEISA-N 0 3 251.286 1.771 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743779 942216404 /nfs/dbraw/zinc/21/64/04/942216404.db2.gz XWSGDNNJXZNNBX-VIFPVBQESA-N 0 3 279.320 1.945 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743779 942216408 /nfs/dbraw/zinc/21/64/08/942216408.db2.gz XWSGDNNJXZNNBX-VIFPVBQESA-N 0 3 279.320 1.945 20 5 CDBDHN COc1cc(CN[C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])cc1O ZINC001308490024 956533071 /nfs/dbraw/zinc/53/30/71/956533071.db2.gz HKKGQYJQWRVQMW-WAAGHKOSSA-N 0 3 282.296 1.170 20 5 CDBDHN O=C(c1ccccc1)N1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC001334765444 959337858 /nfs/dbraw/zinc/33/78/58/959337858.db2.gz WWFXPHNTMLGXII-CYBMUJFWSA-N 0 3 277.324 1.158 20 5 CDBDHN CC[C@@H](C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339668653 962477914 /nfs/dbraw/zinc/47/79/14/962477914.db2.gz PSTIVXXJVYRWPU-GHMZBOCLSA-N 0 3 296.375 1.073 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NOCCN(C)C ZINC001347776832 965692496 /nfs/dbraw/zinc/69/24/96/965692496.db2.gz YODSZDNOLQHHLY-UHFFFAOYSA-N 0 3 295.339 1.743 20 5 CDBDHN CN1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000601185411 342489216 /nfs/dbraw/zinc/48/92/16/342489216.db2.gz UBDWSFFLVWQIAX-ZJUUUORDSA-N 0 3 280.303 1.517 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000601232533 342537689 /nfs/dbraw/zinc/53/76/89/342537689.db2.gz RULLKUIKGYNDBO-UWVGGRQHSA-N 0 3 295.314 1.946 20 5 CDBDHN CN1CC=C(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601409958 342560652 /nfs/dbraw/zinc/56/06/52/342560652.db2.gz AVSKFUHNZOFAIU-UHFFFAOYSA-N 0 3 293.298 1.726 20 5 CDBDHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CCN(C)CC1 ZINC000590780376 342594326 /nfs/dbraw/zinc/59/43/26/342594326.db2.gz DSOGAKODEDUHRA-UHFFFAOYSA-N 0 3 280.328 1.100 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)N(C)C ZINC000033093612 342085699 /nfs/dbraw/zinc/08/56/99/342085699.db2.gz FWQHLKQLLOMEKB-JTQLQIEISA-N 0 3 294.355 1.341 20 5 CDBDHN Cc1ccc(CNC[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971942 342612492 /nfs/dbraw/zinc/61/24/92/342612492.db2.gz YDSLTHGXVQWQEW-GFCCVEGCSA-N 0 3 277.324 1.519 20 5 CDBDHN CC1(C)CN[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591668566 342641159 /nfs/dbraw/zinc/64/11/59/342641159.db2.gz GVSHCFNKHXXXIS-NSHDSACASA-N 0 3 263.297 1.209 20 5 CDBDHN C[C@@H](NC(=O)[C@@H]1NCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591667924 342641210 /nfs/dbraw/zinc/64/12/10/342641210.db2.gz GGCXUYIOIUCBTN-SKDRFNHKSA-N 0 3 277.324 1.770 20 5 CDBDHN NC(=O)CCNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000591764833 342645861 /nfs/dbraw/zinc/64/58/61/342645861.db2.gz KRKZJTWUFGNIIU-UHFFFAOYSA-N 0 3 291.229 1.579 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000573417535 361876965 /nfs/dbraw/zinc/87/69/65/361876965.db2.gz WDQLAIHIAPOMFL-OCCSQVGLSA-N 0 3 289.335 1.300 20 5 CDBDHN CN(C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342868266 361908607 /nfs/dbraw/zinc/90/86/07/361908607.db2.gz KIFZMTGRXBLPLC-UHFFFAOYSA-N 0 3 276.296 1.368 20 5 CDBDHN CO[C@H](CN)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000290017302 361975789 /nfs/dbraw/zinc/97/57/89/361975789.db2.gz QTGVXBODGMVKSI-CYBMUJFWSA-N 0 3 295.339 1.306 20 5 CDBDHN CC(C)Oc1nc(N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000593931449 342852909 /nfs/dbraw/zinc/85/29/09/342852909.db2.gz KWVXRXWYKPYUFW-UHFFFAOYSA-N 0 3 294.355 1.965 20 5 CDBDHN CCc1nn(C)c(SCCN(C)C)c1[N+](=O)[O-] ZINC000588822954 342222371 /nfs/dbraw/zinc/22/23/71/342222371.db2.gz IRZNJKPQFXJGME-UHFFFAOYSA-N 0 3 258.347 1.544 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420480 342903208 /nfs/dbraw/zinc/90/32/08/342903208.db2.gz VDTNDPJSKWLWDK-NXEZZACHSA-N 0 3 293.327 1.065 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000594420480 342903209 /nfs/dbraw/zinc/90/32/09/342903209.db2.gz VDTNDPJSKWLWDK-NXEZZACHSA-N 0 3 293.327 1.065 20 5 CDBDHN Cc1c(CN[C@@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000595039405 342998388 /nfs/dbraw/zinc/99/83/88/342998388.db2.gz DZIVISNWSFBKRV-JTQLQIEISA-N 0 3 275.312 1.673 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000595261376 343014704 /nfs/dbraw/zinc/01/47/04/343014704.db2.gz YIGQIFDCVNSNPS-GHMZBOCLSA-N 0 3 281.287 1.415 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](CO)C1CCOCC1 ZINC000595428011 343057622 /nfs/dbraw/zinc/05/76/22/343057622.db2.gz YOWKUFOGEXIONN-CYBMUJFWSA-N 0 3 298.314 1.611 20 5 CDBDHN C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N(C)C ZINC000342909041 362015933 /nfs/dbraw/zinc/01/59/33/362015933.db2.gz WTAOHBOVCBMCKA-SECBINFHSA-N 0 3 290.323 1.756 20 5 CDBDHN C[C@H]1CCN[C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126469063 187242322 /nfs/dbraw/zinc/24/23/22/187242322.db2.gz QPYVZLOJOWFPFI-GWCFXTLKSA-N 0 3 277.324 1.599 20 5 CDBDHN CC[C@@H](NC)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595923123 343192444 /nfs/dbraw/zinc/19/24/44/343192444.db2.gz QHHLERQSIBWFFN-LLVKDONJSA-N 0 3 263.297 1.482 20 5 CDBDHN Nc1ccc(NC2CCN(C3CC3)CC2)nc1[N+](=O)[O-] ZINC000596067500 343224442 /nfs/dbraw/zinc/22/44/42/343224442.db2.gz ZGBYARABXXEZON-UHFFFAOYSA-N 0 3 277.328 1.033 20 5 CDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000596074542 343225883 /nfs/dbraw/zinc/22/58/83/343225883.db2.gz VGCRVVIRMFKCHQ-UHFFFAOYSA-N 0 3 284.385 1.706 20 5 CDBDHN C[C@@H]1C[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)CN1C1CC1 ZINC000596155347 343247279 /nfs/dbraw/zinc/24/72/79/343247279.db2.gz IHFPSBBAEXXSQH-BDAKNGLRSA-N 0 3 277.328 1.031 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000598578092 343834220 /nfs/dbraw/zinc/83/42/20/343834220.db2.gz YUHOCHIEHIFGDQ-ZDUSSCGKSA-N 0 3 291.351 1.594 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCC1 ZINC000194360372 362285582 /nfs/dbraw/zinc/28/55/82/362285582.db2.gz YVRBYPVGADRHLO-LLVKDONJSA-N 0 3 266.297 1.430 20 5 CDBDHN CC(C)CC[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602440566 344418118 /nfs/dbraw/zinc/41/81/18/344418118.db2.gz QXUQMXHMWQXVSQ-LBPRGKRZSA-N 0 3 279.340 1.975 20 5 CDBDHN Cc1nn(C)c(N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000075061553 345607992 /nfs/dbraw/zinc/60/79/92/345607992.db2.gz MGYKHWOKJHPNLD-MNOVXSKESA-N 0 3 279.344 1.310 20 5 CDBDHN CC1(C)CNCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000088139018 346014144 /nfs/dbraw/zinc/01/41/44/346014144.db2.gz NQNRXDLWWCZCGZ-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609877992 346031138 /nfs/dbraw/zinc/03/11/38/346031138.db2.gz SAOUFMGTPXDERW-NSHDSACASA-N 0 3 294.355 1.538 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(CC3CC3)C2)nc1 ZINC000612784449 347282649 /nfs/dbraw/zinc/28/26/49/347282649.db2.gz MDXVYTNVUWKEMC-SNVBAGLBSA-N 0 3 263.301 1.281 20 5 CDBDHN O=[N+]([O-])c1ccc(CN(CCO)CC2CC2)cc1 ZINC000064516195 347471688 /nfs/dbraw/zinc/47/16/88/347471688.db2.gz JELMJELSHHTPQV-UHFFFAOYSA-N 0 3 250.298 1.799 20 5 CDBDHN CC(C)N1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000068916369 349083569 /nfs/dbraw/zinc/08/35/69/349083569.db2.gz PORGJRYNCWAUOQ-UHFFFAOYSA-N 0 3 267.333 1.249 20 5 CDBDHN CCN1CCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000036749298 362939586 /nfs/dbraw/zinc/93/95/86/362939586.db2.gz HAHWKJHLVJXVIT-JTQLQIEISA-N 0 3 267.333 1.533 20 5 CDBDHN O=[N+]([O-])c1cc(CNCCSCCCO)cs1 ZINC000105643381 186067440 /nfs/dbraw/zinc/06/74/40/186067440.db2.gz FFFOSEIHWLUOOH-UHFFFAOYSA-N 0 3 276.383 1.862 20 5 CDBDHN COc1ccc(NC(=O)C(C)(C)N)cc1[N+](=O)[O-] ZINC000136479911 363110484 /nfs/dbraw/zinc/11/04/84/363110484.db2.gz SETIRELPLKSROB-UHFFFAOYSA-N 0 3 253.258 1.279 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)[C@H]2CCCOC2)cc1 ZINC000411984270 363396257 /nfs/dbraw/zinc/39/62/57/363396257.db2.gz CKWYEWKZVAPKOJ-GXTWGEPZSA-N 0 3 280.324 1.472 20 5 CDBDHN CC[C@H](O)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000304508315 356280600 /nfs/dbraw/zinc/28/06/00/356280600.db2.gz HKWHNUURSBUOFY-OLZOCXBDSA-N 0 3 282.344 1.417 20 5 CDBDHN CCC[C@H](N)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000229925836 356313565 /nfs/dbraw/zinc/31/35/65/356313565.db2.gz QJRRWAHBGPAACE-NSHDSACASA-N 0 3 261.285 1.975 20 5 CDBDHN NC(=O)Cc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000608982574 356321044 /nfs/dbraw/zinc/32/10/44/356321044.db2.gz SAZODOZBOPPJAH-UHFFFAOYSA-N 0 3 299.330 1.912 20 5 CDBDHN CC(C)(CN1CCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000308669911 356332163 /nfs/dbraw/zinc/33/21/63/356332163.db2.gz XFUQAABMBGXEOT-UHFFFAOYSA-N 0 3 265.317 1.671 20 5 CDBDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331289421 357337520 /nfs/dbraw/zinc/33/75/20/357337520.db2.gz NYHBPEZXYBPZKS-NTZNESFSSA-N 0 3 282.344 1.273 20 5 CDBDHN Cc1c(CNC(=O)CN(C)C(C)C)cccc1[N+](=O)[O-] ZINC000360528686 357416613 /nfs/dbraw/zinc/41/66/13/357416613.db2.gz MRXPZGDKCPUIHN-UHFFFAOYSA-N 0 3 279.340 1.860 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)CCN1CCCC1 ZINC000360913610 357743146 /nfs/dbraw/zinc/74/31/46/357743146.db2.gz KUZOZZWZANSMKT-UHFFFAOYSA-N 0 3 281.360 1.652 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@H]1CCCN(C)C1 ZINC000360918070 357749574 /nfs/dbraw/zinc/74/95/74/357749574.db2.gz FLGSRQAKBQZSJI-LBPRGKRZSA-N 0 3 295.387 1.898 20 5 CDBDHN Cn1cnc(CNCCc2cccc([N+](=O)[O-])c2)c1 ZINC000588926922 358271217 /nfs/dbraw/zinc/27/12/17/358271217.db2.gz CPMNZTIORXBVKR-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN COC(=O)Cc1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000294827568 199200918 /nfs/dbraw/zinc/20/09/18/199200918.db2.gz ABSHTUVDYUOKEH-JTQLQIEISA-N 0 3 295.339 1.672 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCN2CCC(O)CC2)c1 ZINC000294917573 199247373 /nfs/dbraw/zinc/24/73/73/199247373.db2.gz SUIJAROZPJQFTM-UHFFFAOYSA-N 0 3 279.340 1.141 20 5 CDBDHN C[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159144153 358668489 /nfs/dbraw/zinc/66/84/89/358668489.db2.gz OBCAAHSOFDQNJW-JTQLQIEISA-N 0 3 265.313 1.381 20 5 CDBDHN CCOC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176215664 358742196 /nfs/dbraw/zinc/74/21/96/358742196.db2.gz INMRLSYENVURMN-UHFFFAOYSA-N 0 3 268.317 1.292 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)CN(C)C2CC2)c1 ZINC000290495092 366530845 /nfs/dbraw/zinc/53/08/45/366530845.db2.gz AGBPAGWHMHNZFB-LBPRGKRZSA-N 0 3 280.324 1.737 20 5 CDBDHN C[C@@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000342365458 359024585 /nfs/dbraw/zinc/02/45/85/359024585.db2.gz WCMGTUWOCSRVHG-NXEZZACHSA-N 0 3 292.339 1.588 20 5 CDBDHN CC(C)[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353082145 359143211 /nfs/dbraw/zinc/14/32/11/359143211.db2.gz AIFIMILRWAQNBO-GFCCVEGCSA-N 0 3 280.328 1.106 20 5 CDBDHN CC(C)[C@]1(CO)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339702144 359431344 /nfs/dbraw/zinc/43/13/44/359431344.db2.gz RYEOIBPYKSGOQH-CQSZACIVSA-N 0 3 296.371 1.522 20 5 CDBDHN CS[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270412886 360499128 /nfs/dbraw/zinc/49/91/28/360499128.db2.gz XYCDGCVVNLMQMT-MNOVXSKESA-N 0 3 282.369 1.472 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268294129 364628372 /nfs/dbraw/zinc/62/83/72/364628372.db2.gz ZXTAGFUTIVEWGF-GZMMTYOYSA-N 0 3 278.312 1.135 20 5 CDBDHN CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270944243 366947710 /nfs/dbraw/zinc/94/77/10/366947710.db2.gz RXUNTRXKNSYZPN-HONMWMINSA-N 0 3 280.324 1.331 20 5 CDBDHN COc1cccc(C(=O)NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000444035374 367153396 /nfs/dbraw/zinc/15/33/96/367153396.db2.gz VTZFITZFFZLTBU-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN C[C@@H](N)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161975936 367907977 /nfs/dbraw/zinc/90/79/77/367907977.db2.gz UYOSIKZULUEOQT-SNVBAGLBSA-N 0 3 293.323 1.312 20 5 CDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330703037 203134296 /nfs/dbraw/zinc/13/42/96/203134296.db2.gz PJLNUIHVIAYVDW-JTQLQIEISA-N 0 3 280.328 1.527 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170913973 372031932 /nfs/dbraw/zinc/03/19/32/372031932.db2.gz KAGXDJLBKGLQLS-MRVPVSSYSA-N 0 3 269.326 1.338 20 5 CDBDHN Cc1cc(N2CCN(C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266451655 372833722 /nfs/dbraw/zinc/83/37/22/372833722.db2.gz XKHSZVZIRMUYSM-OLZOCXBDSA-N 0 3 293.367 1.795 20 5 CDBDHN CCN(CCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000266559288 373979044 /nfs/dbraw/zinc/97/90/44/373979044.db2.gz MOPJIWVAZVYHNE-CYBMUJFWSA-N 0 3 298.339 1.039 20 5 CDBDHN COCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369670312 374359953 /nfs/dbraw/zinc/35/99/53/374359953.db2.gz LGGRWOBVBGRSTL-UHFFFAOYSA-N 0 3 254.290 1.075 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423530187 374387659 /nfs/dbraw/zinc/38/76/59/374387659.db2.gz WONOWGGOUKSVDD-AAEUAGOBSA-N 0 3 279.340 1.542 20 5 CDBDHN C[C@H](NC[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000079927699 374430682 /nfs/dbraw/zinc/43/06/82/374430682.db2.gz GUCLOWLAODBYCW-ONGXEEELSA-N 0 3 263.297 1.524 20 5 CDBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C)cc([N+](=O)[O-])c1C ZINC000276657087 374739736 /nfs/dbraw/zinc/73/97/36/374739736.db2.gz ZQRWZLNRZLLQLB-SECBINFHSA-N 0 3 295.339 1.592 20 5 CDBDHN C[C@H]1CN(CCCNc2ncc([N+](=O)[O-])cn2)CCCO1 ZINC000277670931 374801923 /nfs/dbraw/zinc/80/19/23/374801923.db2.gz PSKFJXFEVNBTCY-NSHDSACASA-N 0 3 295.343 1.298 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCN2CCCO)cc1 ZINC000449384667 374803748 /nfs/dbraw/zinc/80/37/48/374803748.db2.gz CFYKRLQSKRZCSZ-HNNXBMFYSA-N 0 3 293.367 1.531 20 5 CDBDHN COCC(COC)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449532493 374817992 /nfs/dbraw/zinc/81/79/92/374817992.db2.gz AJSJSHDCCVUSCX-ALCCZGGFSA-N 0 3 280.324 1.859 20 5 CDBDHN CCN1C[C@H](C)N(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000331338851 374934854 /nfs/dbraw/zinc/93/48/54/374934854.db2.gz JNMKXOSHURGFOH-QWRGUYRKSA-N 0 3 281.360 1.243 20 5 CDBDHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000096268640 375069432 /nfs/dbraw/zinc/06/94/32/375069432.db2.gz NKCPEVLMQRPOHR-HNNXBMFYSA-N 0 3 289.335 1.763 20 5 CDBDHN COCC[C@@](C)(O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284139884 375130212 /nfs/dbraw/zinc/13/02/12/375130212.db2.gz ORMNAKNGKXGTFE-QMTHXVAHSA-N 0 3 297.355 1.615 20 5 CDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344735600 375358127 /nfs/dbraw/zinc/35/81/27/375358127.db2.gz XDOGRZWAADFJEE-LLVKDONJSA-N 0 3 294.355 1.773 20 5 CDBDHN CC[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)N1CCCC1 ZINC000296285752 375408503 /nfs/dbraw/zinc/40/85/03/375408503.db2.gz HMTYKYSGVICQDJ-NSHDSACASA-N 0 3 279.344 1.980 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H](O)C(F)F ZINC000344766325 375431258 /nfs/dbraw/zinc/43/12/58/375431258.db2.gz XMCFQDUEAKDRHL-JOAKQRRISA-N 0 3 272.251 1.824 20 5 CDBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000294078941 375664758 /nfs/dbraw/zinc/66/47/58/375664758.db2.gz JNHHNYRMLQJQNT-CQSZACIVSA-N 0 3 292.339 1.481 20 5 CDBDHN COc1cc(OC[C@@H](O)CN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000357455261 375911051 /nfs/dbraw/zinc/91/10/51/375911051.db2.gz PWQSTUJDEZIVAK-NSHDSACASA-N 0 3 296.323 1.437 20 5 CDBDHN COCCN(CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347376217 376056989 /nfs/dbraw/zinc/05/69/89/376056989.db2.gz ZYNVXWKDAYYVET-RAXLEYEMSA-N 0 3 294.351 1.939 20 5 CDBDHN CCOc1cc(N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000486962990 376329638 /nfs/dbraw/zinc/32/96/38/376329638.db2.gz FTIPHPGOXZHITA-UHFFFAOYSA-N 0 3 267.329 1.991 20 5 CDBDHN C[C@@H](O)CCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372666 376297586 /nfs/dbraw/zinc/29/75/86/376297586.db2.gz BPDWVVPHNSXPMY-VXGBXAGGSA-N 0 3 298.339 1.037 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171193668 376398872 /nfs/dbraw/zinc/39/88/72/376398872.db2.gz LCZCQGRBMJHERL-CYBMUJFWSA-N 0 3 292.339 1.488 20 5 CDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N(C)C ZINC000294270171 377078859 /nfs/dbraw/zinc/07/88/59/377078859.db2.gz HBTUTSPXPFSRSV-JTQLQIEISA-N 0 3 295.339 1.673 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000266940275 378874723 /nfs/dbraw/zinc/87/47/23/378874723.db2.gz PRKXKWVJMFOCCQ-GHMZBOCLSA-N 0 3 252.318 1.912 20 5 CDBDHN COC[C@H](CCO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447541593 250383520 /nfs/dbraw/zinc/38/35/20/250383520.db2.gz MZXFBXVYMXGTCF-WFASDCNBSA-N 0 3 294.351 1.959 20 5 CDBDHN Cc1c(CN2CCC[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000175212344 379660864 /nfs/dbraw/zinc/66/08/64/379660864.db2.gz RESYSBZMWJZAFN-GFCCVEGCSA-N 0 3 291.351 1.991 20 5 CDBDHN NC(=O)c1ccc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459770044 252776788 /nfs/dbraw/zinc/77/67/88/252776788.db2.gz GWTSUMVWOODVAL-ICCXJUOJSA-N 0 3 289.335 1.972 20 5 CDBDHN C[C@@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])CCN1C ZINC000134782735 390213691 /nfs/dbraw/zinc/21/36/91/390213691.db2.gz YCTSSFVDQLXFKH-NXEZZACHSA-N 0 3 250.302 1.884 20 5 CDBDHN CO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000281632132 195315860 /nfs/dbraw/zinc/31/58/60/195315860.db2.gz IJMISLUKHYVSLH-GHMZBOCLSA-N 0 3 268.317 1.291 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)C1 ZINC000450948674 390578971 /nfs/dbraw/zinc/57/89/71/390578971.db2.gz HDVYWCKTIDKODG-SNVBAGLBSA-N 0 3 267.333 1.247 20 5 CDBDHN COC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000452047324 390663672 /nfs/dbraw/zinc/66/36/72/390663672.db2.gz ZSYGHAGJKAUNEE-LLVKDONJSA-N 0 3 268.317 1.292 20 5 CDBDHN CC(C)[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H](CO)C(C)C ZINC000451589762 390633232 /nfs/dbraw/zinc/63/32/32/390633232.db2.gz ASYPCQXCDCAFDT-WCQYABFASA-N 0 3 298.387 1.707 20 5 CDBDHN Cc1cc(C(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000416287593 391252987 /nfs/dbraw/zinc/25/29/87/391252987.db2.gz FFSPTBBDZUYBEN-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN Cc1ccc(OC[C@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000290780865 391378477 /nfs/dbraw/zinc/37/84/77/391378477.db2.gz MYVXNZQMGAULTL-GFCCVEGCSA-N 0 3 280.324 1.737 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCC2(CO)CCC2)c1 ZINC000184363764 391973883 /nfs/dbraw/zinc/97/38/83/391973883.db2.gz JCFSRKDZKUUJGF-UHFFFAOYSA-N 0 3 250.298 1.847 20 5 CDBDHN C[C@H](NC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000449185628 392076252 /nfs/dbraw/zinc/07/62/52/392076252.db2.gz GXXOEZNRIFAYPK-VIFPVBQESA-N 0 3 275.308 1.624 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773185 392214095 /nfs/dbraw/zinc/21/40/95/392214095.db2.gz XMKIIXXUUAKWCO-GHMZBOCLSA-N 0 3 264.329 1.766 20 5 CDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CN ZINC000237256166 131018627 /nfs/dbraw/zinc/01/86/27/131018627.db2.gz UCIKDMIBEXGMTL-UHFFFAOYSA-N 0 3 257.677 1.165 20 5 CDBDHN Cc1ccc(NCCCNC(=O)C2(N)CC2)c([N+](=O)[O-])c1 ZINC000237666511 131051090 /nfs/dbraw/zinc/05/10/90/131051090.db2.gz OFTRETJCJJWHRO-UHFFFAOYSA-N 0 3 292.339 1.313 20 5 CDBDHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000266783417 131776924 /nfs/dbraw/zinc/77/69/24/131776924.db2.gz NSAFGNBWBOSOPH-HZMBPMFUSA-N 0 3 290.323 1.713 20 5 CDBDHN C[C@@H]1[C@@H](CO)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717185 392722305 /nfs/dbraw/zinc/72/23/05/392722305.db2.gz KUIZWLDHNFPYGW-VXGBXAGGSA-N 0 3 280.324 1.676 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC(OC3CCC3)CC2)n1 ZINC000419280215 392888959 /nfs/dbraw/zinc/88/89/59/392888959.db2.gz DRYVDNZLAIGUFL-UHFFFAOYSA-N 0 3 294.355 1.825 20 5 CDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425049180 392986365 /nfs/dbraw/zinc/98/63/65/392986365.db2.gz OZQSAVFTJXKQLN-SMDDNHRTSA-N 0 3 289.335 1.761 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2CCO)c1 ZINC000426212285 393040162 /nfs/dbraw/zinc/04/01/62/393040162.db2.gz YGMVWMKQXFANRA-GFCCVEGCSA-N 0 3 280.324 1.820 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN(C)CCCOC ZINC000192625026 140142900 /nfs/dbraw/zinc/14/29/00/140142900.db2.gz YOFLUFAKGXNENQ-UHFFFAOYSA-N 0 3 299.375 1.500 20 5 CDBDHN Cc1ccnc(NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000226738075 140181291 /nfs/dbraw/zinc/18/12/91/140181291.db2.gz HQCSRONUJOUSOJ-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000334042632 149305724 /nfs/dbraw/zinc/30/57/24/149305724.db2.gz UZLANUKDHZTOFN-WCBMZHEXSA-N 0 3 283.353 1.869 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346267857 153117879 /nfs/dbraw/zinc/11/78/79/153117879.db2.gz PUJWXIMLXRGSFW-SECBINFHSA-N 0 3 251.286 1.275 20 5 CDBDHN O=C1C[C@]2(CN1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000353734619 156049102 /nfs/dbraw/zinc/04/91/02/156049102.db2.gz AGUCDJZEABINFU-HNNXBMFYSA-N 0 3 289.335 1.697 20 5 CDBDHN COc1c(C(=O)NC[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000356101890 157354781 /nfs/dbraw/zinc/35/47/81/157354781.db2.gz VHIBPTGZJXNFLI-SNVBAGLBSA-N 0 3 293.323 1.427 20 5 CDBDHN CC(C)[C@H](CO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000359832225 158393261 /nfs/dbraw/zinc/39/32/61/158393261.db2.gz LTGYPRCXXUTSQK-ZDUSSCGKSA-N 0 3 295.339 1.164 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(C2)CCCC3)c1 ZINC000372494437 160125799 /nfs/dbraw/zinc/12/57/99/160125799.db2.gz JLMBSGBDMGABFV-GFCCVEGCSA-N 0 3 280.328 1.028 20 5 CDBDHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802083 287038880 /nfs/dbraw/zinc/03/88/80/287038880.db2.gz DNBZWBQBXXUICB-DOMZBBRYSA-N 0 3 292.383 1.491 20 5 CDBDHN C[C@H](NC[C@H]1COCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038060764 174071908 /nfs/dbraw/zinc/07/19/08/174071908.db2.gz MMMTUPBFIZYHSZ-GWCFXTLKSA-N 0 3 266.297 1.661 20 5 CDBDHN CCS(=O)(=O)CCNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676076 174373921 /nfs/dbraw/zinc/37/39/21/174373921.db2.gz PJTZGRXNLNJCJS-UHFFFAOYSA-N 0 3 286.353 1.162 20 5 CDBDHN O=[N+]([O-])c1cc(CNCCC2(CO)CC2)cs1 ZINC000395847796 270344209 /nfs/dbraw/zinc/34/42/09/270344209.db2.gz CHHKGMMRVBWSDR-UHFFFAOYSA-N 0 3 256.327 1.909 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NCC1(N(C)C)CC1 ZINC000397848831 270352103 /nfs/dbraw/zinc/35/21/03/270352103.db2.gz GFXNBZMLWFSOKU-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])cn2C)CCC1 ZINC000527113042 270667844 /nfs/dbraw/zinc/66/78/44/270667844.db2.gz ZTACDIBJPBDROO-UHFFFAOYSA-N 0 3 280.328 1.147 20 5 CDBDHN COCC[C@@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000281736969 274039076 /nfs/dbraw/zinc/03/90/76/274039076.db2.gz VFIREWYCSJZRHQ-WFASDCNBSA-N 0 3 294.351 1.959 20 5 CDBDHN COC[C@@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000353638255 274042954 /nfs/dbraw/zinc/04/29/54/274042954.db2.gz ARUDLUWFSFYQFW-YGRLFVJLSA-N 0 3 294.351 1.914 20 5 CDBDHN C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CCN1 ZINC000420183962 274370372 /nfs/dbraw/zinc/37/03/72/274370372.db2.gz IPACREUMTOYDEE-SNVBAGLBSA-N 0 3 272.308 1.941 20 5 CDBDHN CNC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044989128 277227318 /nfs/dbraw/zinc/22/73/18/277227318.db2.gz DPVQUIOFVFBZGI-VIFPVBQESA-N 0 3 251.286 1.382 20 5 CDBDHN Cc1nc(N[C@H]2CN(C(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000450380020 279103029 /nfs/dbraw/zinc/10/30/29/279103029.db2.gz POWXCKIPRFBTNO-KOLCDFICSA-N 0 3 279.344 1.834 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCOC2)cc1 ZINC000088718518 279258801 /nfs/dbraw/zinc/25/88/01/279258801.db2.gz MPLUGMLWMXZPPN-SNVBAGLBSA-N 0 3 252.270 1.352 20 5 CDBDHN CCc1nn(C)c(N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000212725588 281548432 /nfs/dbraw/zinc/54/84/32/281548432.db2.gz OAWIWTACEOVPBL-UHFFFAOYSA-N 0 3 267.333 1.079 20 5 CDBDHN COC[C@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531966424 281875814 /nfs/dbraw/zinc/87/58/14/281875814.db2.gz BNXGAROQVUJXHM-BXUZGUMPSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000568770764 294099941 /nfs/dbraw/zinc/09/99/41/294099941.db2.gz PKBDQZNLBFCOIN-UWVGGRQHSA-N 0 3 295.343 1.311 20 5 CDBDHN COC[C@@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365119910 522222589 /nfs/dbraw/zinc/22/25/89/522222589.db2.gz DVZORELNQYJMAV-SNVBAGLBSA-N 0 3 268.317 1.463 20 5 CDBDHN CC[C@@H](NC(=O)CNCCOC)c1cccc([N+](=O)[O-])c1 ZINC000236902418 522687671 /nfs/dbraw/zinc/68/76/71/522687671.db2.gz VDLLSSNCKQQZRK-CYBMUJFWSA-N 0 3 295.339 1.398 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069137345 527347029 /nfs/dbraw/zinc/34/70/29/527347029.db2.gz CQNTVNDJLXFPEL-LBPRGKRZSA-N 0 3 298.364 1.304 20 5 CDBDHN CN(C)C[C@@H](O)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000732566127 575091462 /nfs/dbraw/zinc/09/14/62/575091462.db2.gz BMNJGBOVYCODPF-JTQLQIEISA-N 0 3 290.323 1.477 20 5 CDBDHN Cc1c(CN(C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000748039372 576892897 /nfs/dbraw/zinc/89/28/97/576892897.db2.gz LUYZAPIXHANLOI-UHFFFAOYSA-N 0 3 251.330 1.897 20 5 CDBDHN CCN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749694340 576958365 /nfs/dbraw/zinc/95/83/65/576958365.db2.gz VYDGFMHPHFPFGG-IUODEOHRSA-N 0 3 293.367 1.654 20 5 CDBDHN COc1ccc(CNC[C@@H]2COCO2)cc1[N+](=O)[O-] ZINC000894872501 619112954 /nfs/dbraw/zinc/11/29/54/619112954.db2.gz JSLOMGORWGGWSK-SNVBAGLBSA-N 0 3 268.269 1.066 20 5 CDBDHN COCC1CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000895969454 619927681 /nfs/dbraw/zinc/92/76/81/619927681.db2.gz ATTJTRHNCWOREQ-UHFFFAOYSA-N 0 3 250.298 1.716 20 5 CDBDHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCC[N+](=O)[O-] ZINC000905063510 626612088 /nfs/dbraw/zinc/61/20/88/626612088.db2.gz AUERZVOMBSHRBC-LLVKDONJSA-N 0 3 287.360 1.642 20 5 CDBDHN Cc1ccc(CNCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000134737344 633051068 /nfs/dbraw/zinc/05/10/68/633051068.db2.gz CQIYRZWVKSRAPD-KRWDZBQOSA-N 0 3 256.327 1.371 20 5 CDBDHN CN1CCCC[C@@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001354298786 1160257145 /nfs/dbraw/zinc/25/71/45/1160257145.db2.gz FDCKSTXBULTNGR-SECBINFHSA-N 0 3 265.317 1.468 20 5 CDBDHN C[C@H](N)c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001155248399 1167109325 /nfs/dbraw/zinc/10/93/25/1167109325.db2.gz UBNLESNEDXCWIW-VIFPVBQESA-N 0 3 299.290 1.587 20 5 CDBDHN CC(COC(=O)c1c(Br)cnn1C)[N+](=O)[O-] ZINC000835453811 735350895 /nfs/dbraw/zinc/35/08/95/735350895.db2.gz GUAYYSNDJXPXJW-RXMQYKEDSA-N 0 3 292.089 1.005 20 5 CDBDHN CC(COC(=O)[C@@H]1CN(C)C(=O)c2ccccc21)[N+](=O)[O-] ZINC000813115787 735440496 /nfs/dbraw/zinc/44/04/96/735440496.db2.gz ZRBRSFSIXYRNFG-BXKDBHETSA-N 0 3 292.291 1.064 20 5 CDBDHN CC[C@@H](CO)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000931771490 735825431 /nfs/dbraw/zinc/82/54/31/735825431.db2.gz KVPKXQYNMCOMOG-GXFFZTMASA-N 0 3 293.323 1.061 20 5 CDBDHN Cc1c(CNC[C@@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000037999648 733258723 /nfs/dbraw/zinc/25/87/23/733258723.db2.gz YSIZHJOAMLITKU-NSHDSACASA-N 0 3 298.364 1.428 20 5 CDBDHN CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000782577343 733328345 /nfs/dbraw/zinc/32/83/45/733328345.db2.gz AVQITMPKROCQMQ-KBPBESRZSA-N 0 3 294.351 1.721 20 5 CDBDHN O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839454694 733706741 /nfs/dbraw/zinc/70/67/41/733706741.db2.gz ALFCBXOMMRGNKO-UTUOFQBUSA-N 0 3 293.323 1.198 20 5 CDBDHN CC(COC(=O)c1cc2ccccc2c(=O)n1C)[N+](=O)[O-] ZINC000813113693 733893283 /nfs/dbraw/zinc/89/32/83/733893283.db2.gz SUEJKIBYDNJMGG-SECBINFHSA-N 0 3 290.275 1.361 20 5 CDBDHN Cc1cc2c(cc1C)[C@H](C(=O)OCC(C)[N+](=O)[O-])CO2 ZINC000813114915 733984224 /nfs/dbraw/zinc/98/42/24/733984224.db2.gz XSKLMYDEJQDLHY-CMPLNLGQSA-N 0 3 279.292 1.988 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN[C@H]1CCC[C@@H]1CCO ZINC000886169967 734344061 /nfs/dbraw/zinc/34/40/61/734344061.db2.gz MMDKIZSVHZDHRN-PWSUYJOCSA-N 0 3 265.313 1.631 20 5 CDBDHN CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000826086460 734399775 /nfs/dbraw/zinc/39/97/75/734399775.db2.gz VFCYGDYNOQKOJO-LLVKDONJSA-N 0 3 271.361 1.375 20 5 CDBDHN CCO[C@@H]1COC[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832455690 734537297 /nfs/dbraw/zinc/53/72/97/734537297.db2.gz OTOUBTYBCYNSBA-MGPQQGTHSA-N 0 3 296.323 1.022 20 5 CDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000061380255 734814446 /nfs/dbraw/zinc/81/44/46/734814446.db2.gz MIUHMVIBIUZKKK-UHFFFAOYSA-N 0 3 299.302 1.042 20 5 CDBDHN Cc1nc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n[nH]1 ZINC000813110037 735007464 /nfs/dbraw/zinc/00/74/64/735007464.db2.gz ZAEVPVYEVHBRKI-QMMMGPOBSA-N 0 3 290.279 1.602 20 5 CDBDHN Cc1nc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n[nH]1 ZINC000813110035 735101883 /nfs/dbraw/zinc/10/18/83/735101883.db2.gz ZAEVPVYEVHBRKI-MRVPVSSYSA-N 0 3 290.279 1.602 20 5 CDBDHN CC(COC(=O)c1cc(Br)co1)[N+](=O)[O-] ZINC000838965787 735195871 /nfs/dbraw/zinc/19/58/71/735195871.db2.gz ZNASQMFMENKGSI-YFKPBYRVSA-N 0 3 278.058 1.864 20 5 CDBDHN CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000782577346 735579521 /nfs/dbraw/zinc/57/95/21/735579521.db2.gz AVQITMPKROCQMQ-UONOGXRCSA-N 0 3 294.351 1.721 20 5 CDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])c2ccccn12 ZINC000813115344 735619031 /nfs/dbraw/zinc/61/90/31/735619031.db2.gz PQUPJHGUNSBMAB-MRVPVSSYSA-N 0 3 263.253 1.465 20 5 CDBDHN CC(COC(=O)c1ncnc2ccsc21)[N+](=O)[O-] ZINC000851035832 736035575 /nfs/dbraw/zinc/03/55/75/736035575.db2.gz BHGRBPQKKJCNEZ-LURJTMIESA-N 0 3 267.266 1.513 20 5 CDBDHN CSCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123159467 914215408 /nfs/dbraw/zinc/21/54/08/914215408.db2.gz WSQHDLRRCVAJGK-UHFFFAOYSA-N 0 3 283.353 1.164 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2cc3n(n2)CCCO3)C1 ZINC001169007592 927611252 /nfs/dbraw/zinc/61/12/52/927611252.db2.gz OIVDUSOUTBKDSW-WDEREUQCSA-N 0 3 280.328 1.201 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3cncnc3)CC2)C1 ZINC001169039826 927654203 /nfs/dbraw/zinc/65/42/03/927654203.db2.gz UKGUHUGGWIPFDY-CHWSQXEVSA-N 0 3 291.355 1.044 20 5 CDBDHN C[C@H](N)c1ccn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])n1 ZINC001169227824 927824951 /nfs/dbraw/zinc/82/49/51/927824951.db2.gz FQZHNADIHSYXBC-LURJTMIESA-N 0 3 283.675 1.087 20 5 CDBDHN CCCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154678758 937575708 /nfs/dbraw/zinc/57/57/08/937575708.db2.gz BBJBOMSASMFJGU-UHFFFAOYSA-N 0 3 297.359 1.114 20 5 CDBDHN CCN1CCN(C2CN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001120963962 937850527 /nfs/dbraw/zinc/85/05/27/937850527.db2.gz QXUCFYGMIGYLET-UHFFFAOYSA-N 0 3 290.367 1.421 20 5 CDBDHN Cc1cc(CN)nn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156044865 938313883 /nfs/dbraw/zinc/31/38/83/938313883.db2.gz URYNPJQEHGLMLS-UHFFFAOYSA-N 0 3 284.279 1.491 20 5 CDBDHN C[C@H](N)c1ccn(-c2nc(Cl)ncc2[N+](=O)[O-])n1 ZINC001158346439 938611836 /nfs/dbraw/zinc/61/18/36/938611836.db2.gz ZYVDAACJCLUHPH-YFKPBYRVSA-N 0 3 268.664 1.244 20 5 CDBDHN C[C@@H](N)c1ccn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])n1 ZINC001158350726 938613238 /nfs/dbraw/zinc/61/32/38/938613238.db2.gz NUSYNOWEGCMYOZ-ZCFIWIBFSA-N 0 3 283.675 1.087 20 5 CDBDHN CCN1CCN(c2cc(N)c([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001158561447 938637283 /nfs/dbraw/zinc/63/72/83/938637283.db2.gz FESMXSVJTQRIQL-UHFFFAOYSA-N 0 3 279.344 1.493 20 5 CDBDHN NCc1ccnn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001162586153 939094757 /nfs/dbraw/zinc/09/47/57/939094757.db2.gz RGQWDGNHTNDTGA-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN COCCN1CCC(Oc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC001225663945 941896228 /nfs/dbraw/zinc/89/62/28/941896228.db2.gz VIEWRQHGCRDMRY-UHFFFAOYSA-N 0 3 295.339 1.788 20 5 CDBDHN CCN1CC[C@H](Oc2cc(OC)c([N+](=O)[O-])cn2)C1 ZINC001226581341 942030417 /nfs/dbraw/zinc/03/04/17/942030417.db2.gz OPMMTDNERGSRQG-VIFPVBQESA-N 0 3 267.285 1.471 20 5 CDBDHN C[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692770 942204858 /nfs/dbraw/zinc/20/48/58/942204858.db2.gz CNSJMLJBGLEDSX-SECBINFHSA-N 0 3 291.311 1.729 20 5 CDBDHN C[N@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692770 942204862 /nfs/dbraw/zinc/20/48/62/942204862.db2.gz CNSJMLJBGLEDSX-SECBINFHSA-N 0 3 291.311 1.729 20 5 CDBDHN Cc1cc2nc(O[C@@H]3CC[N@@H+](C)C3)[n-]c2cc1[N+](=O)[O-] ZINC001228672483 942354491 /nfs/dbraw/zinc/35/44/91/942354491.db2.gz VXCLEJYJYNAMSW-SECBINFHSA-N 0 3 276.296 1.862 20 5 CDBDHN Cc1cc2nc(O[C@@H]3CC[N@H+](C)C3)[n-]c2cc1[N+](=O)[O-] ZINC001228672483 942354493 /nfs/dbraw/zinc/35/44/93/942354493.db2.gz VXCLEJYJYNAMSW-SECBINFHSA-N 0 3 276.296 1.862 20 5 CDBDHN Cc1[n-]c(=O)cc(O[C@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001228688126 942358956 /nfs/dbraw/zinc/35/89/56/942358956.db2.gz FDWJRVSLSPWUMW-MRVPVSSYSA-O 0 3 270.309 1.477 20 5 CDBDHN COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229343530 942456241 /nfs/dbraw/zinc/45/62/41/942456241.db2.gz ZKGOZPCNKZTKPQ-JTQLQIEISA-N 0 3 292.363 1.349 20 5 CDBDHN COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229343530 942456242 /nfs/dbraw/zinc/45/62/42/942456242.db2.gz ZKGOZPCNKZTKPQ-JTQLQIEISA-N 0 3 292.363 1.349 20 5 CDBDHN CC1=NO[C@@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335382678 954641947 /nfs/dbraw/zinc/64/19/47/954641947.db2.gz QLOPDCLMOLWWMN-OLZOCXBDSA-N 0 3 279.296 1.383 20 5 CDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CNCCC1(F)F ZINC000591672751 342641447 /nfs/dbraw/zinc/64/14/47/342641447.db2.gz IVPBZWOUTOSJIJ-SNVBAGLBSA-N 0 3 285.250 1.778 20 5 CDBDHN COc1ccc(CN[C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593690166 342823477 /nfs/dbraw/zinc/82/34/77/342823477.db2.gz STBJPROUOMKEDZ-JTQLQIEISA-N 0 3 272.276 1.414 20 5 CDBDHN CO[C@H](CN)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290011634 361971104 /nfs/dbraw/zinc/97/11/04/361971104.db2.gz QGNLKLCDRSENPJ-JOYOIKCWSA-N 0 3 281.312 1.054 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](CO)C1CCOCC1 ZINC000595428012 343057311 /nfs/dbraw/zinc/05/73/11/343057311.db2.gz YOWKUFOGEXIONN-ZDUSSCGKSA-N 0 3 298.314 1.611 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN(C)C)n1 ZINC000166826088 362081429 /nfs/dbraw/zinc/08/14/29/362081429.db2.gz LCFZPNRARRQUAI-QMMMGPOBSA-N 0 3 282.300 1.138 20 5 CDBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1CCO ZINC000595697453 343125087 /nfs/dbraw/zinc/12/50/87/343125087.db2.gz LISWWRLKZFGVPN-AAEUAGOBSA-N 0 3 282.344 1.274 20 5 CDBDHN CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000080684854 342359146 /nfs/dbraw/zinc/35/91/46/342359146.db2.gz SGVHKVVBXHJHGB-UHFFFAOYSA-N 0 3 268.273 1.501 20 5 CDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598260736 343743927 /nfs/dbraw/zinc/74/39/27/343743927.db2.gz MHTFYBJJWZWEKG-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN CCN1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602826551 344612117 /nfs/dbraw/zinc/61/21/17/344612117.db2.gz BUNRJSJAOCBWPK-LLVKDONJSA-N 0 3 281.360 1.126 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2C[C@@H]2C1 ZINC000602901698 344654842 /nfs/dbraw/zinc/65/48/42/344654842.db2.gz DDABEXYRINBGLS-GHMZBOCLSA-N 0 3 250.302 1.442 20 5 CDBDHN COC[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000265819701 362608715 /nfs/dbraw/zinc/60/87/15/362608715.db2.gz RQNWSZXHRJFKBD-GFCCVEGCSA-N 0 3 280.324 1.942 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000046408778 345639800 /nfs/dbraw/zinc/63/98/00/345639800.db2.gz GYFOFMTYLUOFKA-LLVKDONJSA-N 0 3 277.324 1.809 20 5 CDBDHN CC(=O)N1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151095666 362624033 /nfs/dbraw/zinc/62/40/33/362624033.db2.gz IVTSIELWZTUFGI-MFKMUULPSA-N 0 3 277.324 1.866 20 5 CDBDHN CCN1CCC[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000015164197 362602380 /nfs/dbraw/zinc/60/23/80/362602380.db2.gz UCUZDSMRZBSNIA-NSHDSACASA-N 0 3 292.339 1.590 20 5 CDBDHN CC[C@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632775 362789583 /nfs/dbraw/zinc/78/95/83/362789583.db2.gz HQMKUTJDGCHDIJ-WCBMZHEXSA-N 0 3 253.302 1.599 20 5 CDBDHN C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000086467554 179297665 /nfs/dbraw/zinc/29/76/65/179297665.db2.gz OFIOEXIBSHLNBX-RKDXNWHRSA-N 0 3 281.287 1.556 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000086468099 179298939 /nfs/dbraw/zinc/29/89/39/179298939.db2.gz QMXSMDNSLAPHFE-JGVFFNPUSA-N 0 3 269.326 1.479 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000090794954 348156931 /nfs/dbraw/zinc/15/69/31/348156931.db2.gz DNLUGODZACHQSO-BDAKNGLRSA-N 0 3 253.306 1.223 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)N(C)C ZINC000033093613 348696823 /nfs/dbraw/zinc/69/68/23/348696823.db2.gz FWQHLKQLLOMEKB-SNVBAGLBSA-N 0 3 294.355 1.341 20 5 CDBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000063118449 348918875 /nfs/dbraw/zinc/91/88/75/348918875.db2.gz IECVOMJBZQBDLU-UHFFFAOYSA-N 0 3 269.326 1.480 20 5 CDBDHN CN1CCO[C@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000105471988 186059644 /nfs/dbraw/zinc/05/96/44/186059644.db2.gz UXYGTEVTASSCDA-CYBMUJFWSA-N 0 3 265.313 1.015 20 5 CDBDHN CNC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000111265092 186381226 /nfs/dbraw/zinc/38/12/26/186381226.db2.gz KZLFDBWRTXQXGI-LBPRGKRZSA-N 0 3 277.324 1.553 20 5 CDBDHN CC(C)(CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454353637 252344192 /nfs/dbraw/zinc/34/41/92/252344192.db2.gz JADWGIXWLPQCFL-UHFFFAOYSA-N 0 3 280.328 1.527 20 5 CDBDHN Cc1cc(NC[C@H](O)CO)c2cc([N+](=O)[O-])ccc2n1 ZINC000122210820 187021100 /nfs/dbraw/zinc/02/11/00/187021100.db2.gz WDBYLQDDEFPUIG-JTQLQIEISA-N 0 3 277.280 1.217 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCOCCN(C)C ZINC000234208415 140228402 /nfs/dbraw/zinc/22/84/02/140228402.db2.gz CPBYXFGMBJNZDI-UHFFFAOYSA-N 0 3 285.348 1.110 20 5 CDBDHN Cc1c(CN[C@H](CO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000359898355 356438374 /nfs/dbraw/zinc/43/83/74/356438374.db2.gz UEVBGBIMDSFREH-CQSZACIVSA-N 0 3 294.351 1.780 20 5 CDBDHN C[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000311193623 357326270 /nfs/dbraw/zinc/32/62/70/357326270.db2.gz FKJLZTKZARGPHH-VIFPVBQESA-N 0 3 255.293 1.774 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCn1cccn1 ZINC000282375174 357340203 /nfs/dbraw/zinc/34/02/03/357340203.db2.gz FMOSGVLWXCLWSD-UHFFFAOYSA-N 0 3 274.324 1.966 20 5 CDBDHN CC[C@@](C)(O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000187330655 357754703 /nfs/dbraw/zinc/75/47/03/357754703.db2.gz DODQQTIZAXAXPO-OAHLLOKOSA-N 0 3 293.367 1.878 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CC[C@H](O)C1 ZINC000188833736 357943308 /nfs/dbraw/zinc/94/33/08/357943308.db2.gz STNINQOWCIWBDE-JQWIXIFHSA-N 0 3 250.298 1.845 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[C@H](CO)C1 ZINC000361658705 358408466 /nfs/dbraw/zinc/40/84/66/358408466.db2.gz GHIKOVGPLZZBOO-AAEUAGOBSA-N 0 3 264.325 1.963 20 5 CDBDHN CC1(C)C[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567694169 358721180 /nfs/dbraw/zinc/72/11/80/358721180.db2.gz KDZYDADAOMAJSM-LBPRGKRZSA-N 0 3 298.364 1.757 20 5 CDBDHN C[C@]1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCC(=O)N1 ZINC000572497171 360980175 /nfs/dbraw/zinc/98/01/75/360980175.db2.gz FHKYHZWEBTUXBL-SWLSCSKDSA-N 0 3 289.335 1.840 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)N(C)C ZINC000455189302 252385132 /nfs/dbraw/zinc/38/51/32/252385132.db2.gz NSYIXAVDTYTVKK-JTQLQIEISA-N 0 3 280.328 1.975 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCO ZINC000299233927 239345574 /nfs/dbraw/zinc/34/55/74/239345574.db2.gz QYTPWIUQWGNRCO-UHFFFAOYSA-N 0 3 281.312 1.156 20 5 CDBDHN CCOC1CC2(C1)CCN(CCn1ccc([N+](=O)[O-])n1)C2 ZINC000367588406 363998874 /nfs/dbraw/zinc/99/88/74/363998874.db2.gz WOVRXDXNKBNTIS-UHFFFAOYSA-N 0 3 294.355 1.682 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200644 364443880 /nfs/dbraw/zinc/44/38/80/364443880.db2.gz OOAICUYVPGGOOW-GWCFXTLKSA-N 0 3 289.335 1.807 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200650 364443890 /nfs/dbraw/zinc/44/38/90/364443890.db2.gz OOAICUYVPGGOOW-GXFFZTMASA-N 0 3 289.335 1.807 20 5 CDBDHN COC(=O)[C@]1(C)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412065320 239950514 /nfs/dbraw/zinc/95/05/14/239950514.db2.gz KQIOORJPTGXXNM-CYBMUJFWSA-N 0 3 296.327 1.066 20 5 CDBDHN O=C(N1CCc2c1cccc2[N+](=O)[O-])[C@@]1(F)CCNC1 ZINC000370779904 283895925 /nfs/dbraw/zinc/89/59/25/283895925.db2.gz LTNYEXPBZKFFDH-CYBMUJFWSA-N 0 3 279.271 1.186 20 5 CDBDHN Cc1nc(N2CCC[C@H]3CN(C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000297361147 367132443 /nfs/dbraw/zinc/13/24/43/367132443.db2.gz CBPFJQADDWBGFM-NWDGAFQWSA-N 0 3 291.355 1.614 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1ncc([N+](=O)[O-])cc1F ZINC000420640214 244305723 /nfs/dbraw/zinc/30/57/23/244305723.db2.gz SQLPXICCHOUNLW-VIFPVBQESA-N 0 3 268.292 1.659 20 5 CDBDHN Cc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000129902190 370132621 /nfs/dbraw/zinc/13/26/21/370132621.db2.gz ZYPKLRFGCFPGTK-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(O)CCOC1 ZINC000179025755 372238659 /nfs/dbraw/zinc/23/86/59/372238659.db2.gz QQILCDBLEFOUEI-AWEZNQCLSA-N 0 3 296.323 1.235 20 5 CDBDHN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC000298362728 373513483 /nfs/dbraw/zinc/51/34/83/373513483.db2.gz RABXHSZKAJXKRN-VIFPVBQESA-N 0 3 251.286 1.275 20 5 CDBDHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000273032299 373694229 /nfs/dbraw/zinc/69/42/29/373694229.db2.gz DQIHUVVMLHCTBK-LLVKDONJSA-N 0 3 264.329 1.910 20 5 CDBDHN C[C@H](N[C@H]1C[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296086407 373752894 /nfs/dbraw/zinc/75/28/94/373752894.db2.gz XSHBRFZDXDXNHF-UJNFCWOMSA-N 0 3 251.286 1.351 20 5 CDBDHN O=C(C[C@H]1CSCCN1)NCc1ccccc1[N+](=O)[O-] ZINC000091290833 373885237 /nfs/dbraw/zinc/88/52/37/373885237.db2.gz HWEBGIXQBIHIJB-NSHDSACASA-N 0 3 295.364 1.306 20 5 CDBDHN CCOC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000311673369 374263506 /nfs/dbraw/zinc/26/35/06/374263506.db2.gz IFEOGURAELNHDQ-MFKMUULPSA-N 0 3 268.313 1.643 20 5 CDBDHN O=C1C[C@@H](NCc2cccc([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000376588525 374564888 /nfs/dbraw/zinc/56/48/88/374564888.db2.gz CRSWZDZYRAKSRS-ZIAGYGMSSA-N 0 3 289.335 1.838 20 5 CDBDHN CCNC(=O)C1(CNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277161448 374773934 /nfs/dbraw/zinc/77/39/34/374773934.db2.gz GTZMAVZLKHUZJD-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN Cc1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000280198947 374986051 /nfs/dbraw/zinc/98/60/51/374986051.db2.gz HVUCNSHQCYIDMM-AWEZNQCLSA-N 0 3 277.324 1.601 20 5 CDBDHN CCc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000352761455 375534675 /nfs/dbraw/zinc/53/46/75/375534675.db2.gz XPTFUAJORBHBTR-UHFFFAOYSA-N 0 3 275.312 1.539 20 5 CDBDHN C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000293992294 375592373 /nfs/dbraw/zinc/59/23/73/375592373.db2.gz CBASWHAWTSCVOH-HONMWMINSA-N 0 3 280.324 1.785 20 5 CDBDHN COc1ccc(CNC[C@@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000227971044 375658887 /nfs/dbraw/zinc/65/88/87/375658887.db2.gz UTSLKGFMKPZJHX-HZMBPMFUSA-N 0 3 296.323 1.233 20 5 CDBDHN CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000358062340 375950693 /nfs/dbraw/zinc/95/06/93/375950693.db2.gz HMGLXFHCGLZWSY-UHFFFAOYSA-N 0 3 278.312 1.305 20 5 CDBDHN CC1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000358062340 375950699 /nfs/dbraw/zinc/95/06/99/375950699.db2.gz HMGLXFHCGLZWSY-UHFFFAOYSA-N 0 3 278.312 1.305 20 5 CDBDHN Cc1nn(C)c(N2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000571862836 377568128 /nfs/dbraw/zinc/56/81/28/377568128.db2.gz SYAKJUSQRBGPIA-AWEZNQCLSA-N 0 3 293.371 1.559 20 5 CDBDHN COc1ccc(CNC2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000053069883 377746612 /nfs/dbraw/zinc/74/66/12/377746612.db2.gz MBVJELGIZWTTJC-UHFFFAOYSA-N 0 3 280.324 1.998 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453041489 252259692 /nfs/dbraw/zinc/25/96/92/252259692.db2.gz UQMVFBJNBDWZEL-RNCFNFMXSA-N 0 3 293.298 1.510 20 5 CDBDHN CC(C)[C@@](C)(NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289300463 197289078 /nfs/dbraw/zinc/28/90/78/197289078.db2.gz IETUJFJFETUHGU-CQSZACIVSA-N 0 3 295.339 1.463 20 5 CDBDHN COCC[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281804041 195387926 /nfs/dbraw/zinc/38/79/26/195387926.db2.gz YMVGTJSKVMVXKO-ZYHUDNBSSA-N 0 3 268.313 1.643 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CC2CCC1CC2 ZINC000433057070 390494821 /nfs/dbraw/zinc/49/48/21/390494821.db2.gz KBMDHLVKPINWDE-ILDUYXDCSA-N 0 3 264.329 1.997 20 5 CDBDHN CN1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000048909448 390465133 /nfs/dbraw/zinc/46/51/33/390465133.db2.gz ZBQWCLFQETZTEB-SNVBAGLBSA-N 0 3 264.285 1.420 20 5 CDBDHN C[C@@H]1C[C@H](O)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000412039927 391064866 /nfs/dbraw/zinc/06/48/66/391064866.db2.gz JVYRFEXWQGORGX-YPMHNXCESA-N 0 3 280.324 1.676 20 5 CDBDHN CC(C)c1ccc(CNC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415097161 391257019 /nfs/dbraw/zinc/25/70/19/391257019.db2.gz RVTXEKFNCZGDPA-CYBMUJFWSA-N 0 3 293.367 1.796 20 5 CDBDHN Cc1nn(C)c(N2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408100960 391360295 /nfs/dbraw/zinc/36/02/95/391360295.db2.gz XQXJBPXZCWSTCZ-LBPRGKRZSA-N 0 3 293.371 1.701 20 5 CDBDHN CCOC[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268973551 391477464 /nfs/dbraw/zinc/47/74/64/391477464.db2.gz INSZDWGWWQRORQ-WCQYABFASA-N 0 3 282.340 1.951 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3ccncc3)C2)c1 ZINC000519603192 391739762 /nfs/dbraw/zinc/73/97/62/391739762.db2.gz HQRDUABZYACOII-ZDUSSCGKSA-N 0 3 287.323 1.676 20 5 CDBDHN CN(CCNc1cccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000341851644 130093910 /nfs/dbraw/zinc/09/39/10/130093910.db2.gz ZDWRQXXWWPPUKA-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN COc1cc(C[NH2+]C[C@H](CO)C(C)C)c([N+](=O)[O-])cc1[O-] ZINC000342193195 130326488 /nfs/dbraw/zinc/32/64/88/130326488.db2.gz CMUKTUCORUYOIG-LLVKDONJSA-N 0 3 298.339 1.663 20 5 CDBDHN CC(C)(O)CN(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000189911712 391809339 /nfs/dbraw/zinc/80/93/39/391809339.db2.gz DZAUYTVBJDUUHY-UHFFFAOYSA-N 0 3 268.317 1.027 20 5 CDBDHN CC(COC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496925352 391929591 /nfs/dbraw/zinc/92/95/91/391929591.db2.gz NYGNBASBGZYKTE-BDAKNGLRSA-N 0 3 290.316 1.450 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000592248313 392097213 /nfs/dbraw/zinc/09/72/13/392097213.db2.gz YUHOCHIEHIFGDQ-CYBMUJFWSA-N 0 3 291.351 1.594 20 5 CDBDHN Cn1cncc1CNCCc1ccccc1[N+](=O)[O-] ZINC000237930329 131066812 /nfs/dbraw/zinc/06/68/12/131066812.db2.gz ALTLLZNNRPQKIB-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000238066829 131075597 /nfs/dbraw/zinc/07/55/97/131075597.db2.gz BUCZOADFGIIDDI-UHFFFAOYSA-N 0 3 277.324 1.349 20 5 CDBDHN Cc1cccc(C(=O)NCCN2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000524720998 392919333 /nfs/dbraw/zinc/91/93/33/392919333.db2.gz WWQUTUMCSZCXJN-NSHDSACASA-N 0 3 291.351 1.975 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000525804400 392937613 /nfs/dbraw/zinc/93/76/13/392937613.db2.gz VLTWTZXGTFETBX-LBPRGKRZSA-N 0 3 291.351 1.595 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CN1C1CC1 ZINC000531005133 393056995 /nfs/dbraw/zinc/05/69/95/393056995.db2.gz DOKUCUZXAODXPM-UWVGGRQHSA-N 0 3 292.339 1.288 20 5 CDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000449658820 393137486 /nfs/dbraw/zinc/13/74/86/393137486.db2.gz UNSJXOZTMJFGIR-SNVBAGLBSA-N 0 3 285.250 1.322 20 5 CDBDHN CS[C@@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000219075034 140167259 /nfs/dbraw/zinc/16/72/59/140167259.db2.gz JRYTZMPGOAQCGR-CABZTGNLSA-N 0 3 270.354 1.797 20 5 CDBDHN COc1cc(CN2CC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000488744937 398133524 /nfs/dbraw/zinc/13/35/24/398133524.db2.gz AJKAOAVQKFDZSW-PWSUYJOCSA-N 0 3 280.324 1.806 20 5 CDBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343438824 152177296 /nfs/dbraw/zinc/17/72/96/152177296.db2.gz LUJNEIAQJSNQOJ-GXFFZTMASA-N 0 3 277.324 1.807 20 5 CDBDHN CSc1ccc(C(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000346170511 153081706 /nfs/dbraw/zinc/08/17/06/153081706.db2.gz WBHCRQBFWKYFHX-SECBINFHSA-N 0 3 297.380 1.997 20 5 CDBDHN CSc1cccc(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000362924080 159269260 /nfs/dbraw/zinc/26/92/60/159269260.db2.gz WFBQDYKYWXHNKN-UHFFFAOYSA-N 0 3 297.380 1.950 20 5 CDBDHN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285059711 196188064 /nfs/dbraw/zinc/18/80/64/196188064.db2.gz ITJITVSCMUUVEI-JFGNBEQYSA-N 0 3 277.324 1.765 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCn1ccnc1 ZINC000285433979 196284097 /nfs/dbraw/zinc/28/40/97/196284097.db2.gz WYDZEPAWVSLCIX-UHFFFAOYSA-N 0 3 274.324 1.966 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676221 174374016 /nfs/dbraw/zinc/37/40/16/174374016.db2.gz AYZCJNKQXVUTTH-GWCFXTLKSA-N 0 3 279.340 1.627 20 5 CDBDHN COc1ccc(NC(=O)[C@@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000399125016 270368262 /nfs/dbraw/zinc/36/82/62/270368262.db2.gz RMSOXWYYWNCYGL-LBPRGKRZSA-N 0 3 279.296 1.669 20 5 CDBDHN C[C@@H](C[C@@H]1COCCN1)NCc1ccccc1[N+](=O)[O-] ZINC000133944630 278294397 /nfs/dbraw/zinc/29/43/97/278294397.db2.gz IEJHBJQYUIBDQQ-WCQYABFASA-N 0 3 279.340 1.451 20 5 CDBDHN Cc1c(C(=O)NC[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000194732157 280052197 /nfs/dbraw/zinc/05/21/97/280052197.db2.gz KWXRZRPNSKOEPW-LLVKDONJSA-N 0 3 277.324 1.727 20 5 CDBDHN Cc1cnc(NC[C@@H](O)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000172807556 281629248 /nfs/dbraw/zinc/62/92/48/281629248.db2.gz YMYKJISQKUJYBC-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762488 325038195 /nfs/dbraw/zinc/03/81/95/325038195.db2.gz JYTJWLRCFMAXCC-VHSXEESVSA-N 0 3 295.343 1.168 20 5 CDBDHN N[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000399234454 518197669 /nfs/dbraw/zinc/19/76/69/518197669.db2.gz QLGLMZSWQVPSDG-GFCCVEGCSA-N 0 3 263.297 1.338 20 5 CDBDHN CC(=O)N1CC[C@H](CN(C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156410913 519626047 /nfs/dbraw/zinc/62/60/47/519626047.db2.gz ZPFWDHDBVRZSQT-CQSZACIVSA-N 0 3 291.351 1.895 20 5 CDBDHN COC[C@@H](O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000338481151 522416626 /nfs/dbraw/zinc/41/66/26/522416626.db2.gz RXLLPMNPHSWIHW-RNZFLTOJSA-N 0 3 266.297 1.205 20 5 CDBDHN COCCN(C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000061379784 523614026 /nfs/dbraw/zinc/61/40/26/523614026.db2.gz XTNQAXSGPCJBIA-UHFFFAOYSA-N 0 3 267.329 1.893 20 5 CDBDHN CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000339404236 524048113 /nfs/dbraw/zinc/04/81/13/524048113.db2.gz XRKNEYFXRLAOIA-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@H]1OCC[C@]1(O)CNCc1ccccc1[N+](=O)[O-] ZINC000227979717 525056766 /nfs/dbraw/zinc/05/67/66/525056766.db2.gz QBTNXNSHXGVIFB-MFKMUULPSA-N 0 3 266.297 1.224 20 5 CDBDHN Cc1c(C(=O)NCCN2CCCC2)cccc1[N+](=O)[O-] ZINC000052851483 525612706 /nfs/dbraw/zinc/61/27/06/525612706.db2.gz WWQMODGLWBZAFR-UHFFFAOYSA-N 0 3 277.324 1.729 20 5 CDBDHN Cc1c([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000183326263 525918600 /nfs/dbraw/zinc/91/86/00/525918600.db2.gz HHCGXGMANMOKAQ-VIFPVBQESA-N 0 3 278.316 1.184 20 5 CDBDHN CCCc1n[nH]c(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000153949989 528545867 /nfs/dbraw/zinc/54/58/67/528545867.db2.gz AHZPLRZQHWECIH-IUCAKERBSA-N 0 3 295.343 1.093 20 5 CDBDHN CCCc1[nH]nc(C(=O)N2C[C@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000153949989 528545874 /nfs/dbraw/zinc/54/58/74/528545874.db2.gz AHZPLRZQHWECIH-IUCAKERBSA-N 0 3 295.343 1.093 20 5 CDBDHN CC(C)[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833737 535055588 /nfs/dbraw/zinc/05/55/88/535055588.db2.gz BLAOOCAKWQVPIN-NSHDSACASA-N 0 3 285.731 1.848 20 5 CDBDHN COc1ccc(CN[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734160732 575160775 /nfs/dbraw/zinc/16/07/75/575160775.db2.gz FFQAHOVSRRTVFT-NSHDSACASA-N 0 3 266.297 1.464 20 5 CDBDHN CCN1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1C ZINC000754080360 576878365 /nfs/dbraw/zinc/87/83/65/576878365.db2.gz UIRQGWITQNQCMH-SECBINFHSA-N 0 3 291.311 1.661 20 5 CDBDHN C[C@@H]1COC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932495078 617316566 /nfs/dbraw/zinc/31/65/66/617316566.db2.gz XIXRAZHPVPNNAJ-ZWNOBZJWSA-N 0 3 293.323 1.182 20 5 CDBDHN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813103790 617342806 /nfs/dbraw/zinc/34/28/06/617342806.db2.gz UARSHYGRPMCUTN-SSDOTTSWSA-N 0 3 298.295 1.630 20 5 CDBDHN CNc1c(C(=O)OCC(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813106240 617343460 /nfs/dbraw/zinc/34/34/60/617343460.db2.gz BFGWSGOAGHSQKI-SSDOTTSWSA-N 0 3 283.240 1.459 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000934044534 617868882 /nfs/dbraw/zinc/86/88/82/617868882.db2.gz CUEWNFXHXZZXMZ-ZIAGYGMSSA-N 0 3 296.323 1.367 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCN1CC[C@@H](O)C1 ZINC000895636312 619778531 /nfs/dbraw/zinc/77/85/31/619778531.db2.gz HEUMXUUDFMBHGU-GFCCVEGCSA-N 0 3 299.758 1.404 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903296426 625955099 /nfs/dbraw/zinc/95/50/99/625955099.db2.gz IESLHJBLRGPVOP-GAJTVXKRSA-N 0 3 295.339 1.632 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCN1C ZINC000903314839 625970039 /nfs/dbraw/zinc/97/00/39/625970039.db2.gz CDQYXYYWWGFDFM-JQWIXIFHSA-N 0 3 279.340 1.958 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccc(Br)s1 ZINC000905029858 626391644 /nfs/dbraw/zinc/39/16/44/626391644.db2.gz CPFMMXSAKAQCCI-UHFFFAOYSA-N 0 3 279.159 1.919 20 5 CDBDHN C[C@H](N[C@H]1COC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905868297 627011304 /nfs/dbraw/zinc/01/13/04/627011304.db2.gz QYQDUSNKHMYLOG-NHCYSSNCSA-N 0 3 293.323 1.546 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOC3CC3)C2)nc1 ZINC000929986054 632225207 /nfs/dbraw/zinc/22/52/07/632225207.db2.gz FEPVUWMAFYLUEI-NSHDSACASA-N 0 3 292.339 1.655 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCCCC1 ZINC000917838434 632287862 /nfs/dbraw/zinc/28/78/62/632287862.db2.gz LVCUTGLPMQQDOD-LLVKDONJSA-N 0 3 294.355 1.538 20 5 CDBDHN C[C@@H](Nc1c(Cl)nccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170565186 1162929754 /nfs/dbraw/zinc/92/97/54/1162929754.db2.gz UGOBGXZHTDPKIL-VXNVDRBHSA-N 0 3 286.719 1.432 20 5 CDBDHN C[C@](O)(CNCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000698681064 1161063910 /nfs/dbraw/zinc/06/39/10/1161063910.db2.gz YKNWBDPJWKUIPE-NSHDSACASA-N 0 3 260.240 1.701 20 5 CDBDHN CC[NH+](CC)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590689112 1173492372 /nfs/dbraw/zinc/49/23/72/1173492372.db2.gz PVHBJUVRAHMCLU-UHFFFAOYSA-N 0 3 276.300 1.617 20 5 CDBDHN COc1nc(N2CCN(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001164653118 719330649 /nfs/dbraw/zinc/33/06/49/719330649.db2.gz QFPVZPXINLAECR-UHFFFAOYSA-N 0 3 294.355 1.776 20 5 CDBDHN CC(COC(=O)C[C@@H](C)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113671 736495502 /nfs/dbraw/zinc/49/55/02/736495502.db2.gz SKECDGRGHIGWTI-GHMZBOCLSA-N 0 3 294.307 1.403 20 5 CDBDHN CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000843990088 737190742 /nfs/dbraw/zinc/19/07/42/737190742.db2.gz QWZRNCJENSLYTI-GFCCVEGCSA-N 0 3 285.388 1.765 20 5 CDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000923315797 737213043 /nfs/dbraw/zinc/21/30/43/737213043.db2.gz MDLWAUDWCPGAFC-GXTWGEPZSA-N 0 3 289.335 1.904 20 5 CDBDHN COc1ccc2c(c1)C[C@H](C(=O)OCC(C)[N+](=O)[O-])CO2 ZINC000813110198 737709627 /nfs/dbraw/zinc/70/96/27/737709627.db2.gz UPXVIIRABXFJGO-ONGXEEELSA-N 0 3 295.291 1.455 20 5 CDBDHN CCOc1cccc(NCCN(C)CCO)c1[N+](=O)[O-] ZINC000884825073 738330664 /nfs/dbraw/zinc/33/06/64/738330664.db2.gz DAVXSJYPBIGUKT-UHFFFAOYSA-N 0 3 283.328 1.330 20 5 CDBDHN CCn1nccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853132653 738333212 /nfs/dbraw/zinc/33/32/12/738333212.db2.gz BBBVIVDZQMBXQT-AWEZNQCLSA-N 0 3 290.323 1.634 20 5 CDBDHN CCC[C@@H](O)[C@H](CO)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131241 738536974 /nfs/dbraw/zinc/53/69/74/738536974.db2.gz PWSTVIVVTULOGP-DZGCQCFKSA-N 0 3 296.367 1.823 20 5 CDBDHN CC(=O)c1c(NC[C@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000882126661 738607127 /nfs/dbraw/zinc/60/71/27/738607127.db2.gz ARTJKAVSQIMFRU-AWEZNQCLSA-N 0 3 295.339 1.522 20 5 CDBDHN CC(COC(=O)[C@H]1CC12CCSCC2)[N+](=O)[O-] ZINC000835456197 738699057 /nfs/dbraw/zinc/69/90/57/738699057.db2.gz SVQSAKUGIJUECL-DTWKUNHWSA-N 0 3 259.327 1.728 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](CCO)C2)cc1 ZINC000776581917 738859840 /nfs/dbraw/zinc/85/98/40/738859840.db2.gz IZAGULXSLXADLU-SWLSCSKDSA-N 0 3 294.351 1.723 20 5 CDBDHN Cc1c(CNC(=O)[C@@H](N)CC2CC2)cccc1[N+](=O)[O-] ZINC000312584615 738901025 /nfs/dbraw/zinc/90/10/25/738901025.db2.gz NAQZGIQROYLJAN-LBPRGKRZSA-N 0 3 277.324 1.647 20 5 CDBDHN C[C@H](O)[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246248625 736803459 /nfs/dbraw/zinc/80/34/59/736803459.db2.gz IXUKYMIFTCHEDL-TUKIKUTGSA-N 0 3 294.351 1.864 20 5 CDBDHN CC(COC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)[N+](=O)[O-] ZINC000860776745 736985842 /nfs/dbraw/zinc/98/58/42/736985842.db2.gz IBMYSOBEQMBBAM-WRSRJMLGSA-N 0 3 261.277 1.781 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCN1CCCC1=O ZINC000873133279 739132197 /nfs/dbraw/zinc/13/21/97/739132197.db2.gz OWWPWQIXFVUVPB-UHFFFAOYSA-N 0 3 291.351 1.924 20 5 CDBDHN O=C1CC(CNc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001168394436 911474276 /nfs/dbraw/zinc/47/42/76/911474276.db2.gz HKLDBWMZVGEBQO-UHFFFAOYSA-N 0 3 261.281 1.589 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)c1 ZINC001169233635 927850182 /nfs/dbraw/zinc/85/01/82/927850182.db2.gz AYUZJMMAOFGBNB-MRVPVSSYSA-N 0 3 290.279 1.587 20 5 CDBDHN C[C@H](N)c1nc2ccccc2n1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001155254147 937653886 /nfs/dbraw/zinc/65/38/86/937653886.db2.gz GEFKUVWRJFYMTK-QMMMGPOBSA-N 0 3 298.306 1.931 20 5 CDBDHN CSCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123192586 936125154 /nfs/dbraw/zinc/12/51/54/936125154.db2.gz XNHJKNICPCXNAB-UHFFFAOYSA-N 0 3 297.380 1.554 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC001124186728 936295298 /nfs/dbraw/zinc/29/52/98/936295298.db2.gz OPDUFBKYLDBQGE-UHFFFAOYSA-N 0 3 290.279 1.102 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCN2CC[C@@H]2C1 ZINC001158423837 938622232 /nfs/dbraw/zinc/62/22/32/938622232.db2.gz NLKHIAVAJWGHLM-LLVKDONJSA-N 0 3 285.307 1.432 20 5 CDBDHN NCc1ccc2c(n1)N(c1cccc([N+](=O)[O-])n1)CCC2 ZINC001158649927 938646263 /nfs/dbraw/zinc/64/62/63/938646263.db2.gz RZPAFMKJGZYQFU-UHFFFAOYSA-N 0 3 285.307 1.928 20 5 CDBDHN C[C@@H](N)c1nc2ccccc2n1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001162765380 939135008 /nfs/dbraw/zinc/13/50/08/939135008.db2.gz FKNZSSWYTBVYLK-SECBINFHSA-N 0 3 299.290 1.587 20 5 CDBDHN CN(C)C1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001163940608 939358204 /nfs/dbraw/zinc/35/82/04/939358204.db2.gz OCKCHMNCIZNPBE-UHFFFAOYSA-N 0 3 261.285 1.221 20 5 CDBDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000400987674 940862455 /nfs/dbraw/zinc/86/24/55/940862455.db2.gz ZHKZXKFDGZUEFF-GWCFXTLKSA-N 0 3 279.340 1.975 20 5 CDBDHN CCN1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229056910 942413052 /nfs/dbraw/zinc/41/30/52/942413052.db2.gz XSFFYDJRYPIHTG-LLVKDONJSA-N 0 3 294.307 1.854 20 5 CDBDHN CCn1nc(C2CC2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001525759464 970983857 /nfs/dbraw/zinc/98/38/57/970983857.db2.gz OCHBLDCLYOBERA-MRVPVSSYSA-N 0 3 267.285 1.602 20 5 CDBDHN C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC001303802355 956121781 /nfs/dbraw/zinc/12/17/81/956121781.db2.gz VGHZPNAYCFBZFF-OIBJUYFYSA-N 0 3 296.302 1.139 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC001308743093 956571756 /nfs/dbraw/zinc/57/17/56/956571756.db2.gz ZHFJSVGRFTYRJY-GXSJLCMTSA-N 0 3 296.323 1.560 20 5 CDBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001338296172 961734168 /nfs/dbraw/zinc/73/41/68/961734168.db2.gz YGRUDFPLRAVWPJ-CYBMUJFWSA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@H](NC(=O)[C@@H](N)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001354829495 968922464 /nfs/dbraw/zinc/92/24/64/968922464.db2.gz KFTDVWGEBJCZMZ-ZANVPECISA-N 0 3 277.324 1.899 20 5 CDBDHN C[NH2+]C(C)(C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604893227 1163371542 /nfs/dbraw/zinc/37/15/42/1163371542.db2.gz ZVWXYRLYICHKQZ-UHFFFAOYSA-N 0 3 291.315 1.185 20 5 CDBDHN C[NH2+]C(C)(C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604893227 1163371549 /nfs/dbraw/zinc/37/15/49/1163371549.db2.gz ZVWXYRLYICHKQZ-UHFFFAOYSA-N 0 3 291.315 1.185 20 5 CDBDHN C[C@@]1(O)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000124952388 187162578 /nfs/dbraw/zinc/16/25/78/187162578.db2.gz MRLMAUVIBFWWQP-UONOGXRCSA-N 0 3 280.324 1.475 20 5 CDBDHN CC[C@H](NC(=O)[C@H](CN)OC)c1cccc([N+](=O)[O-])c1 ZINC000289835552 361836399 /nfs/dbraw/zinc/83/63/99/361836399.db2.gz DVISPQBFWXPYRG-RYUDHWBXSA-N 0 3 281.312 1.136 20 5 CDBDHN C[C@H](CC[S@](C)=O)NCc1ccccc1[N+](=O)[O-] ZINC000125498612 187187670 /nfs/dbraw/zinc/18/76/70/187187670.db2.gz XMDVWCPTQKOODQ-MLCYQJTMSA-N 0 3 270.354 1.842 20 5 CDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588775420 342221476 /nfs/dbraw/zinc/22/14/76/342221476.db2.gz DYPOPSSUHOQTGV-KOLCDFICSA-N 0 3 293.327 1.017 20 5 CDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595435492 343060288 /nfs/dbraw/zinc/06/02/88/343060288.db2.gz GNXXWGZMEYNZIC-NEPJUHHUSA-N 0 3 295.314 1.868 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN(C2CC2)C2(CO)CCC2)c1 ZINC000595533948 343091230 /nfs/dbraw/zinc/09/12/30/343091230.db2.gz QCIPPSAHGBVWKT-UHFFFAOYSA-N 0 3 280.328 1.171 20 5 CDBDHN C[C@H](O)[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000595770125 343146431 /nfs/dbraw/zinc/14/64/31/343146431.db2.gz NIYANDFRWHPKDD-NWDGAFQWSA-N 0 3 280.324 1.819 20 5 CDBDHN COc1cc(C(=O)NC(C)(C)CN(C)C)ccc1[N+](=O)[O-] ZINC000457200773 365711669 /nfs/dbraw/zinc/71/16/69/365711669.db2.gz FGVYWKYCVSNLSJ-UHFFFAOYSA-N 0 3 295.339 1.673 20 5 CDBDHN CCN(CC)CCSc1ncc([N+](=O)[O-])cn1 ZINC000273159501 192061305 /nfs/dbraw/zinc/06/13/05/192061305.db2.gz JXYBHJYFSNJOLL-UHFFFAOYSA-N 0 3 256.331 1.819 20 5 CDBDHN C[NH+](C)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596275176 343295270 /nfs/dbraw/zinc/29/52/70/343295270.db2.gz OOJJLJQFTAUFGS-UHFFFAOYSA-N 0 3 252.274 1.202 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)cn1 ZINC000072751707 349816202 /nfs/dbraw/zinc/81/62/02/349816202.db2.gz IQVYCCVEQIMSRJ-UHFFFAOYSA-N 0 3 285.307 1.711 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000457224048 365789820 /nfs/dbraw/zinc/78/98/20/365789820.db2.gz QUJBDPPXNXKJQM-UHFFFAOYSA-N 0 3 265.313 1.665 20 5 CDBDHN COc1ccc(CN[C@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000402056329 344158564 /nfs/dbraw/zinc/15/85/64/344158564.db2.gz RLLKDIODHXRWPV-MWLCHTKSSA-N 0 3 266.297 1.870 20 5 CDBDHN CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCN(C)CC1 ZINC000599985384 344160149 /nfs/dbraw/zinc/16/01/49/344160149.db2.gz DKSFNVKAHXHEIQ-UHFFFAOYSA-N 0 3 280.328 1.479 20 5 CDBDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602439304 344417227 /nfs/dbraw/zinc/41/72/27/344417227.db2.gz JNEJGWMVHZKQFX-CYBMUJFWSA-N 0 3 279.340 1.975 20 5 CDBDHN CCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000273195039 192071684 /nfs/dbraw/zinc/07/16/84/192071684.db2.gz QLGWQKYFJARDFH-SNVBAGLBSA-N 0 3 265.317 1.671 20 5 CDBDHN COC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602759924 344582929 /nfs/dbraw/zinc/58/29/29/344582929.db2.gz RTCVXLYNIALQOV-UHFFFAOYSA-N 0 3 268.317 1.211 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSCC[C@@H]1C ZINC000602832254 344614403 /nfs/dbraw/zinc/61/44/03/344614403.db2.gz WFHQWXLNCGLXAN-JTQLQIEISA-N 0 3 284.385 1.927 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC2(CC2)C1 ZINC000602812268 344604152 /nfs/dbraw/zinc/60/41/52/344604152.db2.gz PBTVDLJYIJRXFZ-UHFFFAOYSA-N 0 3 264.329 1.976 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CSCCN2)cn1 ZINC000603419665 344799288 /nfs/dbraw/zinc/79/92/88/344799288.db2.gz PDPQBPLXALUZKP-SECBINFHSA-N 0 3 254.315 1.107 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CSCCN2)c(Cl)c1 ZINC000603420649 344799860 /nfs/dbraw/zinc/79/98/60/344799860.db2.gz VPPKLMXKDGTPOX-SSDOTTSWSA-N 0 3 288.760 1.760 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CC[C@@H](CO)O2)c1 ZINC000292792624 362500818 /nfs/dbraw/zinc/50/08/18/362500818.db2.gz UZLBONAPBDWNGP-OLZOCXBDSA-N 0 3 266.297 1.224 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CN1C1CC1 ZINC000610653928 346336171 /nfs/dbraw/zinc/33/61/71/346336171.db2.gz CABVMWLVEXPWCG-RKDXNWHRSA-N 0 3 278.312 1.278 20 5 CDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000273308608 192107256 /nfs/dbraw/zinc/10/72/56/192107256.db2.gz IFMGZWGBZJDNRI-VXGBXAGGSA-N 0 3 296.323 1.055 20 5 CDBDHN COCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000054361997 347820435 /nfs/dbraw/zinc/82/04/35/347820435.db2.gz ICLUAVRRQRHZPX-UHFFFAOYSA-N 0 3 254.286 1.552 20 5 CDBDHN Cc1ccc(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000067701731 349033715 /nfs/dbraw/zinc/03/37/15/349033715.db2.gz HMLPHHZVJNKQFR-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CCN1CCC(N(C)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000073856122 349182220 /nfs/dbraw/zinc/18/22/20/349182220.db2.gz XXDSYBYFYVRZNW-UHFFFAOYSA-N 0 3 264.329 1.910 20 5 CDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000073656697 349172521 /nfs/dbraw/zinc/17/25/21/349172521.db2.gz XZIXCKWLJQUCSY-JTQLQIEISA-N 0 3 280.328 1.527 20 5 CDBDHN CC(C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000106409296 186114664 /nfs/dbraw/zinc/11/46/64/186114664.db2.gz YJUSRAVGNQHIPO-CYBMUJFWSA-N 0 3 279.340 1.797 20 5 CDBDHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000129902435 187459166 /nfs/dbraw/zinc/45/91/66/187459166.db2.gz ZYPKLRFGCFPGTK-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN CCCC[C@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353472639 363043830 /nfs/dbraw/zinc/04/38/30/363043830.db2.gz QSSSEDNAHLQQKQ-NSHDSACASA-N 0 3 295.339 1.737 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292048917 198144864 /nfs/dbraw/zinc/14/48/64/198144864.db2.gz BKKGWPJZBANHFO-UHFFFAOYSA-N 0 3 250.298 1.942 20 5 CDBDHN COCC(C)(C)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000292390531 198270362 /nfs/dbraw/zinc/27/03/62/198270362.db2.gz SFJURQFUTXTHGK-UHFFFAOYSA-N 0 3 256.306 1.148 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCC2=CCN(C)CC2)n1 ZINC000271750916 191305392 /nfs/dbraw/zinc/30/53/92/191305392.db2.gz BWFDEIJPSUMSMK-UHFFFAOYSA-N 0 3 262.313 1.972 20 5 CDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408070035 291062352 /nfs/dbraw/zinc/06/23/52/291062352.db2.gz DSQOQLKCFHHPPE-CMPLNLGQSA-N 0 3 292.339 1.622 20 5 CDBDHN O=C(CNC1CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000238154395 356800207 /nfs/dbraw/zinc/80/02/07/356800207.db2.gz GHDAJCQZPYVICP-UHFFFAOYSA-N 0 3 289.335 1.838 20 5 CDBDHN CN(C)C/C=C/C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000264650983 357648307 /nfs/dbraw/zinc/64/83/07/357648307.db2.gz SHTPGBLRLZGDCJ-ONEGZZNKSA-N 0 3 263.297 1.329 20 5 CDBDHN CC(C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(N)=O ZINC000566476284 357822566 /nfs/dbraw/zinc/82/25/66/357822566.db2.gz VWGDXTPGFTVDAN-LLVKDONJSA-N 0 3 277.324 1.683 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1OC[C@H](O)CN(C)C1CC1 ZINC000290760004 358033177 /nfs/dbraw/zinc/03/31/77/358033177.db2.gz JYALDKPLDKCZOA-GFCCVEGCSA-N 0 3 296.323 1.437 20 5 CDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408122671 358164168 /nfs/dbraw/zinc/16/41/68/358164168.db2.gz YPVOEYINEIWFRB-ZWNOBZJWSA-N 0 3 292.339 1.622 20 5 CDBDHN C[C@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588410 358219588 /nfs/dbraw/zinc/21/95/88/358219588.db2.gz VULJCSLTMYFXLP-ZANVPECISA-N 0 3 250.298 1.943 20 5 CDBDHN CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000121010290 358903103 /nfs/dbraw/zinc/90/31/03/358903103.db2.gz VVZMTVDYHQVFDC-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000339131435 359296552 /nfs/dbraw/zinc/29/65/52/359296552.db2.gz IHIXUCDHPRFILL-LBPRGKRZSA-N 0 3 280.328 1.607 20 5 CDBDHN CN1CC[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000571749168 359608974 /nfs/dbraw/zinc/60/89/74/359608974.db2.gz RIAHBRRLJMLCRC-NSHDSACASA-N 0 3 291.351 1.898 20 5 CDBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000298442417 200431357 /nfs/dbraw/zinc/43/13/57/200431357.db2.gz WLDVZSNFUXOKPN-VIFPVBQESA-N 0 3 266.301 1.666 20 5 CDBDHN C[C@H]1[C@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000385839488 360358652 /nfs/dbraw/zinc/35/86/52/360358652.db2.gz VNUSRCLBKBVCGK-JQWIXIFHSA-N 0 3 250.298 1.798 20 5 CDBDHN CCCCN(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178563668 189127095 /nfs/dbraw/zinc/12/70/95/189127095.db2.gz QJYBEVKLRPNDJO-CQSZACIVSA-N 0 3 282.340 1.723 20 5 CDBDHN COc1ccc(CN[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000168183640 361033006 /nfs/dbraw/zinc/03/30/06/361033006.db2.gz OKHUUTDNDSAQQC-AYLIAGHASA-N 0 3 286.353 1.460 20 5 CDBDHN CN1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000174534598 364489010 /nfs/dbraw/zinc/48/90/10/364489010.db2.gz NNHIJVPFYMGFKW-UHFFFAOYSA-N 0 3 289.335 1.826 20 5 CDBDHN CCN(CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000104409460 364808500 /nfs/dbraw/zinc/80/85/00/364808500.db2.gz LQSJDMJANNVWOM-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000457111665 365406709 /nfs/dbraw/zinc/40/67/09/365406709.db2.gz ITGFPUHPALVKKP-LLVKDONJSA-N 0 3 294.355 1.488 20 5 CDBDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000286333806 368786048 /nfs/dbraw/zinc/78/60/48/368786048.db2.gz IBUMJJNVQNGXAN-ZETCQYMHSA-N 0 3 256.281 1.678 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000420630082 244294784 /nfs/dbraw/zinc/29/47/84/244294784.db2.gz DHLWTXYCOACSJB-SNVBAGLBSA-N 0 3 292.339 1.224 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@H]1CCCN1C ZINC000420630193 244296084 /nfs/dbraw/zinc/29/60/84/244296084.db2.gz DNGVKKJVRCWOJT-LLVKDONJSA-N 0 3 281.360 1.650 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC(CF)CC2)n1 ZINC000295212194 369644821 /nfs/dbraw/zinc/64/48/21/369644821.db2.gz WSOUDFITPZGCPD-UHFFFAOYSA-N 0 3 256.281 1.473 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000269531897 370509139 /nfs/dbraw/zinc/50/91/39/370509139.db2.gz SNOPCKGJZWILAC-UHFFFAOYSA-N 0 3 283.332 1.075 20 5 CDBDHN CC(C)c1[nH]nc(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000269531897 370509140 /nfs/dbraw/zinc/50/91/40/370509140.db2.gz SNOPCKGJZWILAC-UHFFFAOYSA-N 0 3 283.332 1.075 20 5 CDBDHN COc1cc(C(=O)N2CCCNCC2)cc([N+](=O)[O-])c1C ZINC000422707233 245166446 /nfs/dbraw/zinc/16/64/46/245166446.db2.gz GYFTUPPYMNXCII-UHFFFAOYSA-N 0 3 293.323 1.347 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C2CCCC2)CC1 ZINC000331869820 204248466 /nfs/dbraw/zinc/24/84/66/204248466.db2.gz DSMRHFXVZSLREQ-UHFFFAOYSA-N 0 3 293.371 1.389 20 5 CDBDHN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)ccc1[N+](=O)[O-] ZINC000368154256 371751944 /nfs/dbraw/zinc/75/19/44/371751944.db2.gz MNZKLHNCDLYKDS-QWRGUYRKSA-N 0 3 281.287 1.333 20 5 CDBDHN C[C@@]1(O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269637987 373238720 /nfs/dbraw/zinc/23/87/20/373238720.db2.gz HYOSVBUZWVVLDA-QWHCGFSZSA-N 0 3 266.297 1.085 20 5 CDBDHN COCCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269651611 373297908 /nfs/dbraw/zinc/29/79/08/373297908.db2.gz MKFSQVKPTSYEDX-ZDUSSCGKSA-N 0 3 268.313 1.597 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368337367 373323521 /nfs/dbraw/zinc/32/35/21/373323521.db2.gz UDCDLMBEABPPHH-WDNDVIMCSA-N 0 3 278.308 1.144 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N(C)C ZINC000298355543 373511559 /nfs/dbraw/zinc/51/15/59/373511559.db2.gz OAZBGKATRGHUSP-ZETCQYMHSA-N 0 3 257.315 1.336 20 5 CDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCC[C@H](C)C1 ZINC000298725375 374082676 /nfs/dbraw/zinc/08/26/76/374082676.db2.gz MMYDMEZHHSLMSL-UWVGGRQHSA-N 0 3 294.359 1.499 20 5 CDBDHN COC[C@H](O)CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308775 374245360 /nfs/dbraw/zinc/24/53/60/374245360.db2.gz ICNXGFRPSZAFEH-UKRRQHHQSA-N 0 3 294.351 1.959 20 5 CDBDHN COC[C@H](O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308774 374246258 /nfs/dbraw/zinc/24/62/58/374246258.db2.gz ICNXGFRPSZAFEH-HIFRSBDPSA-N 0 3 294.351 1.959 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](c3ccco3)C2)c1 ZINC000370002579 374373934 /nfs/dbraw/zinc/37/39/34/374373934.db2.gz QOCFFFBUSUWEEG-LLVKDONJSA-N 0 3 276.296 1.874 20 5 CDBDHN Cc1cc(C(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000080393273 374464630 /nfs/dbraw/zinc/46/46/30/374464630.db2.gz NMKWVJKEBDMMEA-UHFFFAOYSA-N 0 3 265.313 1.537 20 5 CDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351949830 374698251 /nfs/dbraw/zinc/69/82/51/374698251.db2.gz APIKWQQAZHENCO-JQWIXIFHSA-N 0 3 266.297 1.286 20 5 CDBDHN CS[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000282222472 375073447 /nfs/dbraw/zinc/07/34/47/375073447.db2.gz ODVJLHJWWWGNGX-CHWSQXEVSA-N 0 3 296.396 1.659 20 5 CDBDHN C[C@H](NC[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173306626 378122532 /nfs/dbraw/zinc/12/25/32/378122532.db2.gz GWHUKJYKIJSBCQ-STQMWFEESA-N 0 3 293.367 1.966 20 5 CDBDHN COc1ccc(OCCN(C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000173756518 379074965 /nfs/dbraw/zinc/07/49/65/379074965.db2.gz OXCXSMNRZNEBRT-UHFFFAOYSA-N 0 3 298.339 1.685 20 5 CDBDHN CC1(C)CCCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000444628200 250156378 /nfs/dbraw/zinc/15/63/78/250156378.db2.gz HDXOEFXCIFYCEW-UHFFFAOYSA-N 0 3 295.343 1.170 20 5 CDBDHN CC1(C)CCCN(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000444628200 250156381 /nfs/dbraw/zinc/15/63/81/250156381.db2.gz HDXOEFXCIFYCEW-UHFFFAOYSA-N 0 3 295.343 1.170 20 5 CDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000288579257 197117958 /nfs/dbraw/zinc/11/79/58/197117958.db2.gz XHSVRKREFDMEPK-VHSXEESVSA-N 0 3 293.327 1.017 20 5 CDBDHN CC(C)OC[C@@H](CO)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000433156251 390497416 /nfs/dbraw/zinc/49/74/16/390497416.db2.gz IORGERNXTLXMBR-OAHLLOKOSA-N 0 3 296.367 1.855 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2CCO)cc1 ZINC000426269966 390469339 /nfs/dbraw/zinc/46/93/39/390469339.db2.gz HAINHUDWBSZUEH-LBPRGKRZSA-N 0 3 280.324 1.820 20 5 CDBDHN CC(C)(NC[C@H]1COCCO1)c1ccccc1[N+](=O)[O-] ZINC000451052969 390591536 /nfs/dbraw/zinc/59/15/36/390591536.db2.gz GRTUWJPLJKGVGV-NSHDSACASA-N 0 3 280.324 1.835 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000292099472 391420217 /nfs/dbraw/zinc/42/02/17/391420217.db2.gz HSYWTQQUHUBTHN-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN COCCCN(CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000189882863 130035198 /nfs/dbraw/zinc/03/51/98/130035198.db2.gz WVCRGYGSUKARJZ-UHFFFAOYSA-N 0 3 298.339 1.434 20 5 CDBDHN C[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CCN1C ZINC000090795119 392521460 /nfs/dbraw/zinc/52/14/60/392521460.db2.gz ZAUYEQCUJISKJM-UWVGGRQHSA-N 0 3 250.302 1.884 20 5 CDBDHN C[C@@H]1C[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488570207 392697936 /nfs/dbraw/zinc/69/79/36/392697936.db2.gz CYMYJSNRUVTBEG-MNOVXSKESA-N 0 3 298.364 1.614 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](CO)[C@@H](C)O ZINC000419794621 392895990 /nfs/dbraw/zinc/89/59/90/392895990.db2.gz HBRMGYHOEQXLID-ONNUJCNVSA-N 0 3 280.324 1.329 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000525803869 392937729 /nfs/dbraw/zinc/93/77/29/392937729.db2.gz VZBIINFQZUBAKX-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN CN1CC[C@H](Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)C1 ZINC000487867306 393273489 /nfs/dbraw/zinc/27/34/89/393273489.db2.gz DJGVRNYZCWLSRR-NSHDSACASA-N 0 3 287.319 1.861 20 5 CDBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000275762714 135112042 /nfs/dbraw/zinc/11/20/42/135112042.db2.gz FOZDXYGNQNFGHN-NSHDSACASA-N 0 3 294.355 1.271 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856232 140219595 /nfs/dbraw/zinc/21/95/95/140219595.db2.gz QUSANRQXFDVLLQ-ZANVPECISA-N 0 3 279.340 1.893 20 5 CDBDHN CN(C)C/C=C\C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000492144078 397606212 /nfs/dbraw/zinc/60/62/12/397606212.db2.gz YVKXDHRWXIQQSS-ARJAWSKDSA-N 0 3 297.742 1.982 20 5 CDBDHN C[S@@](=O)CCCNCc1ccccc1[N+](=O)[O-] ZINC000116919874 147280245 /nfs/dbraw/zinc/28/02/45/147280245.db2.gz BBBAGWCKZAIPPD-KRWDZBQOSA-N 0 3 256.327 1.453 20 5 CDBDHN C[C@H](CO)N1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000346673667 153267382 /nfs/dbraw/zinc/26/73/82/153267382.db2.gz VMGZFRCWFUMILA-LLVKDONJSA-N 0 3 299.396 1.545 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)N(C)C ZINC000038108648 174122364 /nfs/dbraw/zinc/12/23/64/174122364.db2.gz KZJOKXOTBWVSRY-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN O=C(NCCN1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044340832 175163843 /nfs/dbraw/zinc/16/38/43/175163843.db2.gz SZHCOUDUSYDYKL-UHFFFAOYSA-N 0 3 269.326 1.482 20 5 CDBDHN CNC(=O)CCNCc1cccc([N+](=O)[O-])c1C ZINC000044994296 175286966 /nfs/dbraw/zinc/28/69/66/175286966.db2.gz XXOPPDQQQIVGLI-UHFFFAOYSA-N 0 3 251.286 1.129 20 5 CDBDHN COCC[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000281736960 274040097 /nfs/dbraw/zinc/04/00/97/274040097.db2.gz VFIREWYCSJZRHQ-IUODEOHRSA-N 0 3 294.351 1.959 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C ZINC000262840761 274632741 /nfs/dbraw/zinc/63/27/41/274632741.db2.gz RFRNKBGSPNCRAA-HTQZYQBOSA-N 0 3 253.258 1.010 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000269377982 275722585 /nfs/dbraw/zinc/72/25/85/275722585.db2.gz ODIHWAHIESMDOV-QMMMGPOBSA-N 0 3 283.332 1.121 20 5 CDBDHN Cc1cnc(N[C@@H](CO)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000295732022 302363924 /nfs/dbraw/zinc/36/39/24/302363924.db2.gz WEPAKCZECOVTNM-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000055378973 523935328 /nfs/dbraw/zinc/93/53/28/523935328.db2.gz QFXAYAPZPYCFON-UHFFFAOYSA-N 0 3 292.339 1.343 20 5 CDBDHN COC(=O)c1cc(NC(=O)C(C)(C)N)cc([N+](=O)[O-])c1 ZINC000237141893 536527921 /nfs/dbraw/zinc/52/79/21/536527921.db2.gz VDMRGFFCCKSRQZ-UHFFFAOYSA-N 0 3 281.268 1.057 20 5 CDBDHN COc1c(O)ccc(CN[C@@]2(C)CCCOC2)c1[N+](=O)[O-] ZINC000893392497 617785003 /nfs/dbraw/zinc/78/50/03/617785003.db2.gz JAHOVLYOIJEBIR-AWEZNQCLSA-N 0 3 296.323 1.968 20 5 CDBDHN CC(COC(=O)[C@H]1CCOC2(CCC2)C1)[N+](=O)[O-] ZINC000893046390 618093379 /nfs/dbraw/zinc/09/33/79/618093379.db2.gz ANCZJOUQIWSHDK-UWVGGRQHSA-N 0 3 257.286 1.544 20 5 CDBDHN CCOc1ccc(CCNCC[N+](=O)[O-])cc1OCC ZINC000899860803 622487258 /nfs/dbraw/zinc/48/72/58/622487258.db2.gz UNRIUMGYSKZZFW-UHFFFAOYSA-N 0 3 282.340 1.893 20 5 CDBDHN COc1ccc(C[C@H](C)NCC[N+](=O)[O-])cc1OC ZINC000905094143 626636010 /nfs/dbraw/zinc/63/60/10/626636010.db2.gz DEKZZSFAPCKDDG-JTQLQIEISA-N 0 3 268.313 1.501 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC/C=C\Cl)c1 ZINC000905708725 626935511 /nfs/dbraw/zinc/93/55/11/626935511.db2.gz SJKYZTCUZJJJDN-SRMRHOMVSA-N 0 3 256.689 1.970 20 5 CDBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnnn1C ZINC000925383367 630708347 /nfs/dbraw/zinc/70/83/47/630708347.db2.gz SJMUASKWJMQQQK-JTQLQIEISA-N 0 3 291.311 1.453 20 5 CDBDHN COc1cc(-n2ccc([C@H](C)N)n2)ncc1[N+](=O)[O-] ZINC001158348885 1162899660 /nfs/dbraw/zinc/89/96/60/1162899660.db2.gz MLEJAPBPXZURFL-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN COc1cc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)cc1F ZINC001170567740 1162950124 /nfs/dbraw/zinc/95/01/24/1162950124.db2.gz LPNDZSIWTWLADF-OQPBUACISA-N 0 3 299.302 1.531 20 5 CDBDHN COc1c(F)cc(N[C@@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170570204 1162955907 /nfs/dbraw/zinc/95/59/07/1162955907.db2.gz UMXUWYCWOWNUKF-UFBFGSQYSA-N 0 3 299.302 1.531 20 5 CDBDHN C[C@H](Nc1cc(F)cc(F)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170571141 1162959481 /nfs/dbraw/zinc/95/94/81/1162959481.db2.gz YISUGMAWEQKAQN-WRWORJQWSA-N 0 3 287.266 1.662 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000401308550 1186410176 /nfs/dbraw/zinc/41/01/76/1186410176.db2.gz UMXYIJUXMPRIFD-UTLUCORTSA-N 0 3 280.328 1.144 20 5 CDBDHN O=[N+]([O-])c1c(F)nccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000881868883 740900800 /nfs/dbraw/zinc/90/08/00/740900800.db2.gz QVOYCANKLZYCOV-ZJUUUORDSA-N 0 3 296.302 1.404 20 5 CDBDHN C[C@H]1CSC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886202762 741519916 /nfs/dbraw/zinc/51/99/16/741519916.db2.gz DOYJVOUKCZAKRJ-WPRPVWTQSA-N 0 3 253.327 1.831 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)CC(F)F)cc1 ZINC000717834702 739323804 /nfs/dbraw/zinc/32/38/04/739323804.db2.gz JLPFFEIHWLHWHJ-ONGXEEELSA-N 0 3 290.266 1.234 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000852702884 739398381 /nfs/dbraw/zinc/39/83/81/739398381.db2.gz KHXFAXXLPSCICN-UGFHNGPFSA-N 0 3 294.351 1.579 20 5 CDBDHN COc1ccc(CNC[C@H]2COC(C)(C)O2)cc1[N+](=O)[O-] ZINC000892715554 739590056 /nfs/dbraw/zinc/59/00/56/739590056.db2.gz YXPMPEVJEHJIGH-NSHDSACASA-N 0 3 296.323 1.845 20 5 CDBDHN COc1ccc2c(c1)OC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000813109949 740032174 /nfs/dbraw/zinc/03/21/74/740032174.db2.gz QNHQDQPYUDEVMH-MWLCHTKSSA-N 0 3 295.291 1.455 20 5 CDBDHN CO[C@@H](C)CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796641734 741783162 /nfs/dbraw/zinc/78/31/62/741783162.db2.gz WFMOGVMOZCJAKQ-GWCFXTLKSA-N 0 3 268.313 1.595 20 5 CDBDHN CN1CC[C@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C1 ZINC001167278170 895022409 /nfs/dbraw/zinc/02/24/09/895022409.db2.gz AQWCWFBNPGXDRP-VIFPVBQESA-N 0 3 261.285 1.359 20 5 CDBDHN CC[C@@](N)(CO)N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904302 912037577 /nfs/dbraw/zinc/03/75/77/912037577.db2.gz WURFJKGUFHUHFN-HIFRSBDPSA-N 0 3 293.367 1.489 20 5 CDBDHN Cc1cc([N+](=O)[O-])c(-n2cnc(CN)c2)nc1Cl ZINC001154906143 926016192 /nfs/dbraw/zinc/01/61/92/926016192.db2.gz CEYKCFQOEMLJCY-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](n2cnc3c2CNCC3)C1 ZINC001169010703 927616476 /nfs/dbraw/zinc/61/64/76/927616476.db2.gz FQPZSCQAXWEXBE-ZJUUUORDSA-N 0 3 250.302 1.147 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3cccnc3)CC2)C1 ZINC001169011091 927617258 /nfs/dbraw/zinc/61/72/58/927617258.db2.gz IGRFTIADUFBNGU-KBPBESRZSA-N 0 3 290.367 1.649 20 5 CDBDHN Cc1cnc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)s1 ZINC001168988443 927627912 /nfs/dbraw/zinc/62/79/12/927627912.db2.gz SKMIYADTKHCZEM-UWVGGRQHSA-N 0 3 255.343 1.987 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCOCC23CCC3)C1 ZINC001169033926 927640484 /nfs/dbraw/zinc/64/04/84/927640484.db2.gz DUHNDWNNMUHZBA-NEPJUHHUSA-N 0 3 254.330 1.687 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ccncn3)CC2)C1 ZINC001169035562 927645364 /nfs/dbraw/zinc/64/53/64/927645364.db2.gz CCEQXWSRTJCSIV-STQMWFEESA-N 0 3 291.355 1.044 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](CF)C2)c1 ZINC000880232872 929636543 /nfs/dbraw/zinc/63/65/43/929636543.db2.gz FPIFFUQVYMSQSY-JTQLQIEISA-N 0 3 256.281 1.473 20 5 CDBDHN O=[N+]([O-])CCN1CCCN2c3ccccc3C[C@H]2C1 ZINC000930511590 933390326 /nfs/dbraw/zinc/39/03/26/933390326.db2.gz KXHDVNQYMNDMEM-ZDUSSCGKSA-N 0 3 261.325 1.400 20 5 CDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)n1 ZINC001158347945 938611424 /nfs/dbraw/zinc/61/14/24/938611424.db2.gz ANARWPWYSWOFKG-RXMQYKEDSA-N 0 3 282.691 1.552 20 5 CDBDHN CC(C)N1CCN(c2ccc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC001158495391 938629535 /nfs/dbraw/zinc/62/95/35/938629535.db2.gz OOVCFRSJCKKPIK-JTQLQIEISA-N 0 3 279.344 1.491 20 5 CDBDHN CCN1CCN(c2cc([N+](=O)[O-])ccn2)C(C)(C)C1 ZINC001158561142 938636343 /nfs/dbraw/zinc/63/63/43/938636343.db2.gz KIOMZHDGRRBQBA-UHFFFAOYSA-N 0 3 264.329 1.910 20 5 CDBDHN CCOC(=O)c1cc(-n2cnc(CN)c2)ccc1[N+](=O)[O-] ZINC001162304316 938976644 /nfs/dbraw/zinc/97/66/44/938976644.db2.gz FSLVUKYPEHJDHT-UHFFFAOYSA-N 0 3 290.279 1.416 20 5 CDBDHN NCc1ccnn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001162593859 939097595 /nfs/dbraw/zinc/09/75/95/939097595.db2.gz SNRKZYBWRQQAHF-UHFFFAOYSA-N 0 3 287.201 1.653 20 5 CDBDHN C[C@H](N)c1nc2ccccc2n1-c1cnc([N+](=O)[O-])cn1 ZINC001162776906 939136382 /nfs/dbraw/zinc/13/63/82/939136382.db2.gz GCQOGJLVAOABTC-QMMMGPOBSA-N 0 3 284.279 1.743 20 5 CDBDHN COc1cc(-c2nnn[n-]2)ccc1O[C@H](C)C[N+](C)(C)C ZINC001229343531 942455607 /nfs/dbraw/zinc/45/56/07/942455607.db2.gz ZKGOZPCNKZTKPQ-SNVBAGLBSA-N 0 3 292.363 1.349 20 5 CDBDHN COc1cc(-c2nn[n-]n2)ccc1O[C@H](C)C[N+](C)(C)C ZINC001229343531 942455610 /nfs/dbraw/zinc/45/56/10/942455610.db2.gz ZKGOZPCNKZTKPQ-SNVBAGLBSA-N 0 3 292.363 1.349 20 5 CDBDHN COCCN1CCC(Oc2ccnc([N+](=O)[O-])c2)CC1 ZINC001233856370 943674696 /nfs/dbraw/zinc/67/46/96/943674696.db2.gz CFPSDRWJVVMKRL-UHFFFAOYSA-N 0 3 281.312 1.479 20 5 CDBDHN COC(=O)c1ccc(O[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC001234052322 943727977 /nfs/dbraw/zinc/72/79/77/943727977.db2.gz RMEZVOBBEDXFAZ-NSHDSACASA-N 0 3 294.307 1.854 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC001254532384 947508102 /nfs/dbraw/zinc/50/81/02/947508102.db2.gz NSGLVBAXRDCHLZ-CMPLNLGQSA-N 0 3 298.364 1.303 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1CCOC[C@H]1F)C2 ZINC001254579558 947537050 /nfs/dbraw/zinc/53/70/50/947537050.db2.gz STPBXVJSEFVAPU-BNOWGMLFSA-N 0 3 280.299 1.779 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1CCOC[C@@H]1F)C2 ZINC001254579559 947537657 /nfs/dbraw/zinc/53/76/57/947537657.db2.gz STPBXVJSEFVAPU-KWCYVHTRSA-N 0 3 280.299 1.779 20 5 CDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCCN2)n1 ZINC001247495643 948647726 /nfs/dbraw/zinc/64/77/26/948647726.db2.gz BGJTVHPVUSGUTD-ZETCQYMHSA-N 0 3 279.231 1.603 20 5 CDBDHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272771 956075379 /nfs/dbraw/zinc/07/53/79/956075379.db2.gz DTGHULHSUXBTKX-RYUDHWBXSA-N 0 3 278.312 1.232 20 5 CDBDHN COc1cc(C[NH2+][C@H](CCO)C(C)C)c([N+](=O)[O-])cc1[O-] ZINC001308288768 956510102 /nfs/dbraw/zinc/51/01/02/956510102.db2.gz GPNQSXCJHXCVHC-LLVKDONJSA-N 0 3 298.339 1.806 20 5 CDBDHN CC[C@H]1CN(CC[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001334782639 959359178 /nfs/dbraw/zinc/35/91/78/959359178.db2.gz AUWWZHOTXPADID-HNNXBMFYSA-N 0 3 277.368 1.860 20 5 CDBDHN O=[N+]([O-])c1c(N[C@@H]2CN3CCC2CC3)nc2ccccn21 ZINC001347746474 965682565 /nfs/dbraw/zinc/68/25/65/965682565.db2.gz QWRSHZPWJQVSST-LLVKDONJSA-N 0 3 287.323 1.749 20 5 CDBDHN CC(COC(=O)c1cccc2c1CCOC2)[N+](=O)[O-] ZINC001348533815 966043686 /nfs/dbraw/zinc/04/36/86/966043686.db2.gz NBEVWYCUZQNWNN-SECBINFHSA-N 0 3 265.265 1.581 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601036872 342460475 /nfs/dbraw/zinc/46/04/75/342460475.db2.gz YITKSWGFYFCNTP-UHFFFAOYSA-N 0 3 295.314 1.902 20 5 CDBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000589102040 342496989 /nfs/dbraw/zinc/49/69/89/342496989.db2.gz UUPDPFNLAPHUSY-MRVPVSSYSA-N 0 3 273.720 1.583 20 5 CDBDHN C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000046275332 342055970 /nfs/dbraw/zinc/05/59/70/342055970.db2.gz CSNLETNWGUKHTJ-SNVBAGLBSA-N 0 3 265.313 1.204 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000590872573 342604014 /nfs/dbraw/zinc/60/40/14/342604014.db2.gz SDSUMGQZGKCWIO-YPMHNXCESA-N 0 3 289.335 1.679 20 5 CDBDHN CN1CCC(N(CCO)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000264346089 365668638 /nfs/dbraw/zinc/66/86/38/365668638.db2.gz DWBCLOITQOKPAQ-UHFFFAOYSA-N 0 3 299.396 1.545 20 5 CDBDHN CCCN(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136812709 361869298 /nfs/dbraw/zinc/86/92/98/361869298.db2.gz SHMDXNXAUGXQDU-ZDUSSCGKSA-N 0 3 268.313 1.333 20 5 CDBDHN COc1cc(CNC[C@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000265254754 361966035 /nfs/dbraw/zinc/96/60/35/361966035.db2.gz PJZNOXUQAQMSRN-LBPRGKRZSA-N 0 3 296.323 1.473 20 5 CDBDHN Nc1nc(N[C@@H]2CCCN3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000594602501 342924104 /nfs/dbraw/zinc/92/41/04/342924104.db2.gz QSXLDDZRHLMWMC-ZJUUUORDSA-N 0 3 292.343 1.226 20 5 CDBDHN Cn1nnc2c1CC[C@H](NCc1cccc([N+](=O)[O-])c1)C2 ZINC000594517101 342917044 /nfs/dbraw/zinc/91/70/44/342917044.db2.gz VCYKTNHXNUQCHS-NSHDSACASA-N 0 3 287.323 1.370 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCOCCO ZINC000595034052 342997512 /nfs/dbraw/zinc/99/75/12/342997512.db2.gz PBZMMMYGBSMHHF-NSHDSACASA-N 0 3 298.339 1.653 20 5 CDBDHN O=[N+]([O-])c1cccc(CN(CCc2cn[nH]n2)C2CC2)c1 ZINC000595352443 343046173 /nfs/dbraw/zinc/04/61/73/343046173.db2.gz KXHBTFLEXMSDNH-UHFFFAOYSA-N 0 3 287.323 1.920 20 5 CDBDHN O=[N+]([O-])c1cccc(CN(CCc2c[nH]nn2)C2CC2)c1 ZINC000595352443 343046174 /nfs/dbraw/zinc/04/61/74/343046174.db2.gz KXHBTFLEXMSDNH-UHFFFAOYSA-N 0 3 287.323 1.920 20 5 CDBDHN C[C@@H](O)CCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000075782615 342317289 /nfs/dbraw/zinc/31/72/89/342317289.db2.gz LWGCJEDMXGNXMV-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595456123 343067974 /nfs/dbraw/zinc/06/79/74/343067974.db2.gz WDKMJYHMXNIHKU-RYUDHWBXSA-N 0 3 295.314 1.738 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCCN(C2CCCC2)CC1 ZINC000077994875 342332833 /nfs/dbraw/zinc/33/28/33/342332833.db2.gz VGAMVOZSVOKTER-UHFFFAOYSA-N 0 3 293.371 1.783 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1 ZINC000598574140 343833450 /nfs/dbraw/zinc/83/34/50/343833450.db2.gz KSEMZECYSIWHPI-JTQLQIEISA-N 0 3 280.328 1.003 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598575673 343834382 /nfs/dbraw/zinc/83/43/82/343834382.db2.gz VRCOTQMBSYTBQG-AWEZNQCLSA-N 0 3 291.351 1.973 20 5 CDBDHN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCCNCC1 ZINC000602423022 344420323 /nfs/dbraw/zinc/42/03/23/344420323.db2.gz BNQPYTXZXWZBIH-UHFFFAOYSA-N 0 3 267.260 1.169 20 5 CDBDHN CCN[C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602438130 344416749 /nfs/dbraw/zinc/41/67/49/344416749.db2.gz BSHNBRQTLNPVNS-VIFPVBQESA-N 0 3 251.286 1.209 20 5 CDBDHN CCN1C[C@@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602802342 344592095 /nfs/dbraw/zinc/59/20/95/344592095.db2.gz ZGATXUIHIGEDBM-NWDGAFQWSA-N 0 3 295.387 1.514 20 5 CDBDHN COC[C@H](CO)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000603430252 344802987 /nfs/dbraw/zinc/80/29/87/344802987.db2.gz YIQDTDHAEODLIY-VKUYVZBCSA-N 0 3 280.324 1.595 20 5 CDBDHN CCCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603682080 344825425 /nfs/dbraw/zinc/82/54/25/344825425.db2.gz BWNLZEYGWJUOBR-UHFFFAOYSA-N 0 3 264.329 1.912 20 5 CDBDHN CCN1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000043643685 344853269 /nfs/dbraw/zinc/85/32/69/344853269.db2.gz GSGDXNRCSKCAIE-UHFFFAOYSA-N 0 3 280.328 1.479 20 5 CDBDHN CCN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344190340 362549340 /nfs/dbraw/zinc/54/93/40/362549340.db2.gz QTHJNCYYNLFEPG-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN COc1cc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000344041515 362540192 /nfs/dbraw/zinc/54/01/92/362540192.db2.gz WBNSDNNKDMTSAT-OBJOEFQTSA-N 0 3 292.335 1.806 20 5 CDBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057714485 347086810 /nfs/dbraw/zinc/08/68/10/347086810.db2.gz MNESGRMUZQKNOS-JTQLQIEISA-N 0 3 277.324 1.807 20 5 CDBDHN CC1(C)[C@H](NCc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000129349978 362896144 /nfs/dbraw/zinc/89/61/44/362896144.db2.gz AUYJCRCQTFMZPI-NEPJUHHUSA-N 0 3 250.298 1.844 20 5 CDBDHN CN(C)CCn1cc(Nc2ccc([N+](=O)[O-])cn2)cn1 ZINC000057854420 348849117 /nfs/dbraw/zinc/84/91/17/348849117.db2.gz QNPKYTHKMNVTDM-UHFFFAOYSA-N 0 3 276.300 1.492 20 5 CDBDHN C[C@H]1CN(CCCNc2cccnc2[N+](=O)[O-])CCCO1 ZINC000617843296 349245704 /nfs/dbraw/zinc/24/57/04/349245704.db2.gz ZFSTYAHHIYGTFK-LBPRGKRZSA-N 0 3 294.355 1.903 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000090550810 180002617 /nfs/dbraw/zinc/00/26/17/180002617.db2.gz SBZDPONHHJPJGJ-UHFFFAOYSA-N 0 3 251.286 1.241 20 5 CDBDHN COCCN(C)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000312007905 350738441 /nfs/dbraw/zinc/73/84/41/350738441.db2.gz QYHRGWSEEUFVQY-UHFFFAOYSA-N 0 3 288.735 1.633 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152732854 188039832 /nfs/dbraw/zinc/03/98/32/188039832.db2.gz JAVQRZUMNJCRRV-UHFFFAOYSA-N 0 3 285.731 1.930 20 5 CDBDHN C[C@H](CN1CCOCC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036932563 363293372 /nfs/dbraw/zinc/29/33/72/363293372.db2.gz HRBJMJIUIWMAON-CHWSQXEVSA-N 0 3 293.367 1.966 20 5 CDBDHN Nc1nc(SCCCN2CCCCC2)ncc1[N+](=O)[O-] ZINC000578084228 356136910 /nfs/dbraw/zinc/13/69/10/356136910.db2.gz STSLCGUAHJRVGX-UHFFFAOYSA-N 0 3 297.384 1.765 20 5 CDBDHN CN(CCc1ccncc1)CCn1cc([N+](=O)[O-])cn1 ZINC000181458085 357349446 /nfs/dbraw/zinc/34/94/46/357349446.db2.gz QVFBKWMMCRUWGF-UHFFFAOYSA-N 0 3 275.312 1.361 20 5 CDBDHN CCc1n[nH]c(C(=O)NC[C@@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000264559731 357378881 /nfs/dbraw/zinc/37/88/81/357378881.db2.gz NCDHLMVINOROGH-VIFPVBQESA-N 0 3 295.343 1.094 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000186732992 357681356 /nfs/dbraw/zinc/68/13/56/357681356.db2.gz RCORIVUUPBPLLV-UHFFFAOYSA-N 0 3 277.324 1.761 20 5 CDBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NCCN(C)C ZINC000286899459 358024858 /nfs/dbraw/zinc/02/48/58/358024858.db2.gz JQFPKIHYJCWXFE-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN CC[C@@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)N(C)C ZINC000268800980 535419072 /nfs/dbraw/zinc/41/90/72/535419072.db2.gz YKDFLIWUWAYWEV-NSHDSACASA-N 0 3 295.339 1.560 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000287237044 358348951 /nfs/dbraw/zinc/34/89/51/358348951.db2.gz PUJWXIMLXRGSFW-VIFPVBQESA-N 0 3 251.286 1.275 20 5 CDBDHN CN(C[C@@H](O)COc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000290780800 358374108 /nfs/dbraw/zinc/37/41/08/358374108.db2.gz MWIRFZMGFUZSIA-SNVBAGLBSA-N 0 3 284.287 1.568 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000134258959 359451456 /nfs/dbraw/zinc/45/14/56/359451456.db2.gz KWTPZUDLZQQZSH-VIFPVBQESA-N 0 3 295.314 1.946 20 5 CDBDHN CCC[C@@](C)(N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015971 359561558 /nfs/dbraw/zinc/56/15/58/359561558.db2.gz FYDVHLRRAVMMFP-CYBMUJFWSA-N 0 3 265.313 1.729 20 5 CDBDHN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H](C)N1 ZINC000053712130 370670010 /nfs/dbraw/zinc/67/00/10/370670010.db2.gz NQJWYYXMTQHTSN-OCAPTIKFSA-N 0 3 281.341 1.491 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](CO)[C@H]2CCCO2)cc1 ZINC000447906418 364577529 /nfs/dbraw/zinc/57/75/29/364577529.db2.gz OSFNCOQZYDNFHF-UONOGXRCSA-N 0 3 296.323 1.103 20 5 CDBDHN CC(C)OCCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270591857 366906694 /nfs/dbraw/zinc/90/66/94/366906694.db2.gz SZOFAUBTTVBKGE-UHFFFAOYSA-N 0 3 297.355 1.503 20 5 CDBDHN Cc1ccc(CN(CCO)C2CC2)cc1[N+](=O)[O-] ZINC000271090257 366966640 /nfs/dbraw/zinc/96/66/40/366966640.db2.gz VTRSIMHFHJHEHC-UHFFFAOYSA-N 0 3 250.298 1.860 20 5 CDBDHN CN(C)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272521985 367748189 /nfs/dbraw/zinc/74/81/89/367748189.db2.gz LNPVOWQSXHQQOQ-UHFFFAOYSA-N 0 3 287.266 1.364 20 5 CDBDHN C[NH+](C)CC[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272521985 367748193 /nfs/dbraw/zinc/74/81/93/367748193.db2.gz LNPVOWQSXHQQOQ-UHFFFAOYSA-N 0 3 287.266 1.364 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000420630080 244294338 /nfs/dbraw/zinc/29/43/38/244294338.db2.gz DHLWTXYCOACSJB-JTQLQIEISA-N 0 3 292.339 1.224 20 5 CDBDHN CCNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000037703220 369971667 /nfs/dbraw/zinc/97/16/67/369971667.db2.gz LNANHMVNQJBZJI-UHFFFAOYSA-N 0 3 268.269 1.256 20 5 CDBDHN CN(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170862721 369983210 /nfs/dbraw/zinc/98/32/10/369983210.db2.gz DJVCRBCESYINOI-QMMMGPOBSA-N 0 3 269.326 1.432 20 5 CDBDHN CCc1nn(C)c(NC[C@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000091559428 374040616 /nfs/dbraw/zinc/04/06/16/374040616.db2.gz LKGZXWVRJDFHLT-SNVBAGLBSA-N 0 3 281.360 1.787 20 5 CDBDHN C[C@H](NC[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423513042 374387718 /nfs/dbraw/zinc/38/77/18/374387718.db2.gz BYFFCISWCBLYRP-GXFFZTMASA-N 0 3 265.313 1.234 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1COCCO1 ZINC000531683918 374505919 /nfs/dbraw/zinc/50/59/19/374505919.db2.gz NURAUPFGOBXAOG-YPMHNXCESA-N 0 3 280.324 1.969 20 5 CDBDHN C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000081589430 374526981 /nfs/dbraw/zinc/52/69/81/374526981.db2.gz RGGSVWWUCYRUTR-VIFPVBQESA-N 0 3 275.312 1.900 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(F)CCNC1 ZINC000377150639 374587295 /nfs/dbraw/zinc/58/72/95/374587295.db2.gz HODZYJOCYFRRHR-GFCCVEGCSA-N 0 3 267.260 1.543 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCC1=CCN(C)CC1 ZINC000280814930 375024966 /nfs/dbraw/zinc/02/49/66/375024966.db2.gz XJWQHCOMEIDMPV-UHFFFAOYSA-N 0 3 279.344 1.793 20 5 CDBDHN COCCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000299269675 375139389 /nfs/dbraw/zinc/13/93/89/375139389.db2.gz MTRYAUPTOLARGI-UHFFFAOYSA-N 0 3 268.313 1.942 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCN(C)C ZINC000163218578 375641113 /nfs/dbraw/zinc/64/11/13/375641113.db2.gz DDLFNYJUTURXDF-UHFFFAOYSA-N 0 3 280.328 1.929 20 5 CDBDHN C[C@@H]1[C@@H](C)N(CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000357064871 375881855 /nfs/dbraw/zinc/88/18/55/375881855.db2.gz JREOIKJIRWOQNM-CHWSQXEVSA-N 0 3 293.367 1.998 20 5 CDBDHN CCOc1cc(NC[C@@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358306899 375960090 /nfs/dbraw/zinc/96/00/90/375960090.db2.gz NKWYPHUJRJSBOV-AWEZNQCLSA-N 0 3 295.339 1.472 20 5 CDBDHN C[C@H](O)[C@H]1C[C@H](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000443332463 250023875 /nfs/dbraw/zinc/02/38/75/250023875.db2.gz HSYFZBQSPODMIG-GRYCIOLGSA-N 0 3 282.344 1.273 20 5 CDBDHN C[C@H](O)[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000267036261 379637305 /nfs/dbraw/zinc/63/73/05/379637305.db2.gz CEGCWWQPIDATTI-QWRGUYRKSA-N 0 3 268.317 1.027 20 5 CDBDHN Cc1cnc(NC[C@H]2CCCN2CCCO)c([N+](=O)[O-])c1 ZINC000450600032 251361177 /nfs/dbraw/zinc/36/11/77/251361177.db2.gz UWMXEWHHSLGKKF-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN O=[N+]([O-])c1cccnc1N[C@H](CO)CN1CCCCC1 ZINC000288845193 197178296 /nfs/dbraw/zinc/17/82/96/197178296.db2.gz CVSDGDLKYUOIJV-NSHDSACASA-N 0 3 280.328 1.249 20 5 CDBDHN CN1[C@@H]2CC[C@H]1CCN(c1ncc([N+](=O)[O-])s1)C2 ZINC000190332192 130091289 /nfs/dbraw/zinc/09/12/89/130091289.db2.gz MLHDDIOZDRKRMC-DTWKUNHWSA-N 0 3 268.342 1.724 20 5 CDBDHN C[C@@H]1[C@H](O)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000590762306 391921921 /nfs/dbraw/zinc/92/19/21/391921921.db2.gz QACFDOBQNGRKJI-ZWNOBZJWSA-N 0 3 266.297 1.429 20 5 CDBDHN CC1(C)CN[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000591675125 391980981 /nfs/dbraw/zinc/98/09/81/391980981.db2.gz SXJYQPBPFLGYGX-NSHDSACASA-N 0 3 263.297 1.209 20 5 CDBDHN CCc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262739776 131257469 /nfs/dbraw/zinc/25/74/69/131257469.db2.gz DMVHEIIMDPOANI-QWRGUYRKSA-N 0 3 291.351 1.980 20 5 CDBDHN O=C1C[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1 ZINC000595403080 392565690 /nfs/dbraw/zinc/56/56/90/392565690.db2.gz AXQGOSIDYDENOR-LBPRGKRZSA-N 0 3 289.335 1.695 20 5 CDBDHN CC[C@@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000419218007 392886930 /nfs/dbraw/zinc/88/69/30/392886930.db2.gz FKLVAWKFUWXVBY-AAEUAGOBSA-N 0 3 294.355 1.901 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCn3ccnc3C2)cs1 ZINC000494392963 393231913 /nfs/dbraw/zinc/23/19/13/393231913.db2.gz QLPAQDXFJWWVCG-SNVBAGLBSA-N 0 3 278.337 1.957 20 5 CDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000275623401 135110797 /nfs/dbraw/zinc/11/07/97/135110797.db2.gz VDPMZCXDYQGZEW-LBPRGKRZSA-N 0 3 293.367 1.876 20 5 CDBDHN CNc1c(C(=O)NC[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000231523208 140215785 /nfs/dbraw/zinc/21/57/85/140215785.db2.gz RMXSVNLXNCHRDH-SNVBAGLBSA-N 0 3 292.339 1.461 20 5 CDBDHN Cc1c(CN(C[C@@H](O)CO)C(C)C)cccc1[N+](=O)[O-] ZINC000421005956 397901263 /nfs/dbraw/zinc/90/12/63/397901263.db2.gz VNRAKQXFWMLBBH-CYBMUJFWSA-N 0 3 282.340 1.467 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)CN(C)C)n1 ZINC000343798820 152306515 /nfs/dbraw/zinc/30/65/15/152306515.db2.gz WPLANEXSZCLHRA-JTQLQIEISA-N 0 3 252.318 1.969 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](C2CC2)C1 ZINC000372335485 160107429 /nfs/dbraw/zinc/10/74/29/160107429.db2.gz XCXLUQPSAWSFBG-LBPRGKRZSA-N 0 3 277.324 1.488 20 5 CDBDHN C[C@@H]1CC[C@@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000373221777 160182694 /nfs/dbraw/zinc/18/26/94/160182694.db2.gz VBYDGXLFCOXCRA-YPMHNXCESA-N 0 3 294.355 1.996 20 5 CDBDHN C[C@@H]1CC[C@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000373221774 160183190 /nfs/dbraw/zinc/18/31/90/160183190.db2.gz VBYDGXLFCOXCRA-DGCLKSJQSA-N 0 3 294.355 1.996 20 5 CDBDHN Cc1ccc(CN[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000037273376 173085847 /nfs/dbraw/zinc/08/58/47/173085847.db2.gz BGRITAQOOGHEOK-ZDUSSCGKSA-N 0 3 293.367 1.714 20 5 CDBDHN CCN1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000038108375 174122369 /nfs/dbraw/zinc/12/23/69/174122369.db2.gz JFRUHFOHXBMQPN-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN NC(=O)c1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044411811 175172073 /nfs/dbraw/zinc/17/20/73/175172073.db2.gz QRSJXUXWFWLSAL-SNVBAGLBSA-N 0 3 290.323 1.342 20 5 CDBDHN CC1(C)[C@H](O)C[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000514795734 270409852 /nfs/dbraw/zinc/40/98/52/270409852.db2.gz CXCBOLVMPRDZGU-CHWSQXEVSA-N 0 3 280.324 1.723 20 5 CDBDHN C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132327833 274293238 /nfs/dbraw/zinc/29/32/38/274293238.db2.gz AWUZRNJQCRRSEM-SNVBAGLBSA-N 0 3 251.286 1.241 20 5 CDBDHN CNc1c(C(=O)NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000161432780 277301280 /nfs/dbraw/zinc/30/12/80/277301280.db2.gz BMJALBUAWCZJKJ-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)[C@H]1CCOC1 ZINC000565218823 293566156 /nfs/dbraw/zinc/56/61/56/293566156.db2.gz RULJTNMFJKXJRP-VZJVUDMVSA-N 0 3 292.335 1.569 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000573803255 294889224 /nfs/dbraw/zinc/88/92/24/294889224.db2.gz HRGIVVCRGPMTSW-UHFFFAOYSA-N 0 3 294.355 1.734 20 5 CDBDHN N[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000424198396 295324646 /nfs/dbraw/zinc/32/46/46/295324646.db2.gz XZXXQFYUQSCBSO-NWDGAFQWSA-N 0 3 275.308 1.433 20 5 CDBDHN COCC[C@@](C)(O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820011 316377675 /nfs/dbraw/zinc/37/76/75/316377675.db2.gz AXMYOCLWHXKVBV-UKRRQHHQSA-N 0 3 294.351 1.959 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H](C)O ZINC000386957682 323755482 /nfs/dbraw/zinc/75/54/82/323755482.db2.gz YFCOWLVMGDWOTH-BDAKNGLRSA-N 0 3 254.286 1.462 20 5 CDBDHN COCCN(C)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000061376730 523603318 /nfs/dbraw/zinc/60/33/18/523603318.db2.gz BJBBVNREUSBKRX-UHFFFAOYSA-N 0 3 281.356 1.571 20 5 CDBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000061379675 523615456 /nfs/dbraw/zinc/61/54/56/523615456.db2.gz BUVATEYGJASQKB-UHFFFAOYSA-N 0 3 298.299 1.493 20 5 CDBDHN COc1ccc(OCCN2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000340934665 524956051 /nfs/dbraw/zinc/95/60/51/524956051.db2.gz WPRPKBAFPXTJNQ-WDEREUQCSA-N 0 3 296.323 1.437 20 5 CDBDHN Cc1c(CNC[C@@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000068804013 525723852 /nfs/dbraw/zinc/72/38/52/525723852.db2.gz BEBAGZMBHNTAEF-CQSZACIVSA-N 0 3 292.383 1.239 20 5 CDBDHN O=[N+]([O-])c1ccccc1CCN[C@H]1CCCS(=O)(=O)C1 ZINC000069144503 527399049 /nfs/dbraw/zinc/39/90/49/527399049.db2.gz CBJCQIRXFBBAFM-LBPRGKRZSA-N 0 3 298.364 1.304 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3ccco3)C2)n1 ZINC000365832213 527407111 /nfs/dbraw/zinc/40/71/11/527407111.db2.gz BXEHOKKEXKDHLO-LLVKDONJSA-N 0 3 276.296 1.874 20 5 CDBDHN O=[N+]([O-])c1cnn(CN2CC[C@@H](N3CCCCC3)C2)c1 ZINC000730807612 575011758 /nfs/dbraw/zinc/01/17/58/575011758.db2.gz UFDKQYADNNAVAG-GFCCVEGCSA-N 0 3 279.344 1.309 20 5 CDBDHN COc1ccc(CN[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734160731 575160882 /nfs/dbraw/zinc/16/08/82/575160882.db2.gz FFQAHOVSRRTVFT-LLVKDONJSA-N 0 3 266.297 1.464 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000759876589 576440305 /nfs/dbraw/zinc/44/03/05/576440305.db2.gz MCIGHZHENBCFNX-ZDUSSCGKSA-N 0 3 280.324 1.475 20 5 CDBDHN COCCOC[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000742377208 576596121 /nfs/dbraw/zinc/59/61/21/576596121.db2.gz OXPJSLXGBSBAKL-NSHDSACASA-N 0 3 268.313 1.736 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NOC1CCN(C)CC1 ZINC000773551601 575824043 /nfs/dbraw/zinc/82/40/43/575824043.db2.gz JNIVZKAUWAPEFE-UHFFFAOYSA-N 0 3 293.323 1.659 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000768774546 576307668 /nfs/dbraw/zinc/30/76/68/576307668.db2.gz VESSYSFSXLBABD-XUJVJEKNSA-N 0 3 293.367 1.653 20 5 CDBDHN C[C@H]1CCCN1CCNc1ccc([N+](=O)[O-])cn1 ZINC000742428008 576602648 /nfs/dbraw/zinc/60/26/48/576602648.db2.gz XPNQVEXTBIUAQN-JTQLQIEISA-N 0 3 250.302 1.886 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2CCCO2)c1 ZINC000749650102 576956684 /nfs/dbraw/zinc/95/66/84/576956684.db2.gz ZKOUMEUCBWLZTE-QWHCGFSZSA-N 0 3 266.297 1.397 20 5 CDBDHN CC(COC(=O)CCNc1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813109356 617345664 /nfs/dbraw/zinc/34/56/64/617345664.db2.gz JAESWXQNDXNBON-VIFPVBQESA-N 0 3 297.267 1.605 20 5 CDBDHN CC(COC(=O)C[C@H]1CCC(C)(C)CO1)[N+](=O)[O-] ZINC000893047865 618098963 /nfs/dbraw/zinc/09/89/63/618098963.db2.gz RDHJEWBROHVMME-VHSXEESVSA-N 0 3 259.302 1.790 20 5 CDBDHN Cc1cc(C)n(-c2ccc(CCNCC[N+](=O)[O-])cc2)n1 ZINC000905051091 626387063 /nfs/dbraw/zinc/38/70/63/626387063.db2.gz ZCUCZHVKMJYDII-UHFFFAOYSA-N 0 3 288.351 1.898 20 5 CDBDHN CC(C)(CNCC[N+](=O)[O-])Oc1cc(F)cc(F)c1 ZINC000905257319 626709001 /nfs/dbraw/zinc/70/90/01/626709001.db2.gz SVESRGYERPHWBN-UHFFFAOYSA-N 0 3 274.267 1.989 20 5 CDBDHN CSc1ccc([C@@H](CNCC[N+](=O)[O-])N(C)C)cc1 ZINC000905271230 626727104 /nfs/dbraw/zinc/72/71/04/626727104.db2.gz AWKVPDLTCADIOB-CYBMUJFWSA-N 0 3 283.397 1.878 20 5 CDBDHN COc1cc(OC)c(C[C@H](C)NCC[N+](=O)[O-])c(OC)c1 ZINC000905273847 626729313 /nfs/dbraw/zinc/72/93/13/626729313.db2.gz PUOJHXNRMLRWCO-JTQLQIEISA-N 0 3 298.339 1.510 20 5 CDBDHN O=[N+]([O-])CCNCC1([C@@H](O)c2ccccc2)CC1 ZINC000905366925 626785870 /nfs/dbraw/zinc/78/58/70/626785870.db2.gz QPQWCSBPOYQBLT-LBPRGKRZSA-N 0 3 250.298 1.367 20 5 CDBDHN NCc1cnnn1-c1ncnc2cc3ccccc3cc21 ZINC001169311246 1162003617 /nfs/dbraw/zinc/00/36/17/1162003617.db2.gz TWDGHRVXYRYWEU-UHFFFAOYSA-N 0 3 276.303 1.822 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000401270065 1186408906 /nfs/dbraw/zinc/40/89/06/1186408906.db2.gz UITSEDFXDVWOCQ-OUAUKWLOSA-N 0 3 277.324 1.806 20 5 CDBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001164640913 719215292 /nfs/dbraw/zinc/21/52/92/719215292.db2.gz UDCMXAGPVXAMLG-VHSXEESVSA-N 0 3 289.339 2.000 20 5 CDBDHN Cc1cccc2c1O[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000835455740 743583108 /nfs/dbraw/zinc/58/31/08/743583108.db2.gz OLUXTJCFIVUFSQ-GXSJLCMTSA-N 0 3 265.265 1.507 20 5 CDBDHN COC[C@@H](CO)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000883107520 745161207 /nfs/dbraw/zinc/16/12/07/745161207.db2.gz AYMWQVRHSUJDQO-LLVKDONJSA-N 0 3 268.313 1.309 20 5 CDBDHN Cc1ccc2oc(C(=O)OCC(C)[N+](=O)[O-])cc2n1 ZINC000813112972 745564399 /nfs/dbraw/zinc/56/43/99/745564399.db2.gz MVCZEPMFKIIXBZ-QMMMGPOBSA-N 0 3 264.237 1.958 20 5 CDBDHN CC(COC(=O)Cc1ccc(-n2cnnc2)cc1)[N+](=O)[O-] ZINC000821166804 745894184 /nfs/dbraw/zinc/89/41/84/745894184.db2.gz HNKCCGOUFWLYTF-SNVBAGLBSA-N 0 3 290.279 1.018 20 5 CDBDHN CC(COC(=O)c1ccc(-c2ncn(C)n2)cc1)[N+](=O)[O-] ZINC000813107604 745918267 /nfs/dbraw/zinc/91/82/67/745918267.db2.gz OYGHEPXBHDTRDJ-SECBINFHSA-N 0 3 290.279 1.304 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](CF)C1 ZINC000880236945 746157410 /nfs/dbraw/zinc/15/74/10/746157410.db2.gz MLXOPWVLGJEJOK-LLVKDONJSA-N 0 3 283.303 1.438 20 5 CDBDHN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000086468400 746384443 /nfs/dbraw/zinc/38/44/43/746384443.db2.gz LNSBSXVUKOCTFR-UWVGGRQHSA-N 0 3 278.312 1.809 20 5 CDBDHN CC(COC(=O)c1cnnn1-c1cccc(F)c1)[N+](=O)[O-] ZINC000813110536 746490516 /nfs/dbraw/zinc/49/05/16/746490516.db2.gz CSQOPGXMUXTXBR-MRVPVSSYSA-N 0 3 294.242 1.228 20 5 CDBDHN CO[C@@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453934 747060318 /nfs/dbraw/zinc/06/03/18/747060318.db2.gz IKQWZMRCOHCDAR-PWSUYJOCSA-N 0 3 267.281 1.453 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000815177618 747128635 /nfs/dbraw/zinc/12/86/35/747128635.db2.gz RSWUQMZTEVNROK-TYNCELHUSA-N 0 3 293.367 1.653 20 5 CDBDHN COc1ccc2c(c1)OC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000813109947 747178997 /nfs/dbraw/zinc/17/89/97/747178997.db2.gz QNHQDQPYUDEVMH-KOLCDFICSA-N 0 3 295.291 1.455 20 5 CDBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C(F)F ZINC001021756216 747472473 /nfs/dbraw/zinc/47/24/73/747472473.db2.gz CRANGAWBCVADHM-AOOOYVTPSA-N 0 3 299.277 1.597 20 5 CDBDHN NC(=O)CC1(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000817411328 747675507 /nfs/dbraw/zinc/67/55/07/747675507.db2.gz PZIYSZCXTNFPSR-UHFFFAOYSA-N 0 3 297.742 1.993 20 5 CDBDHN CC(COC(=O)c1cc(C(C)(C)C)[nH]n1)[N+](=O)[O-] ZINC000813113884 747805158 /nfs/dbraw/zinc/80/51/58/747805158.db2.gz KIFCQWMXDITXPW-SSDOTTSWSA-N 0 3 255.274 1.529 20 5 CDBDHN CC[C@H]1CN(C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823195345 748114430 /nfs/dbraw/zinc/11/44/30/748114430.db2.gz VKMXOTLXJPMMSP-DZGCQCFKSA-N 0 3 293.367 1.654 20 5 CDBDHN CC(COC(=O)c1ccc(-n2cccn2)cc1)[N+](=O)[O-] ZINC000813104086 748153529 /nfs/dbraw/zinc/15/35/29/748153529.db2.gz JSXDDDCXHLDLGU-JTQLQIEISA-N 0 3 275.264 1.694 20 5 CDBDHN CCN(CCC(=O)NC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000933862529 748519645 /nfs/dbraw/zinc/51/96/45/748519645.db2.gz JDLVNCOQWJCIRG-UHFFFAOYSA-N 0 3 283.303 1.692 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](O)CC2)cc1 ZINC000815296936 748594167 /nfs/dbraw/zinc/59/41/67/748594167.db2.gz INKFRDKHEFWGNC-ZIAGYGMSSA-N 0 3 280.324 1.475 20 5 CDBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@H](CO)C1CCOCC1 ZINC000782528564 748606459 /nfs/dbraw/zinc/60/64/59/748606459.db2.gz AIEQKRWZIUXFFD-CYBMUJFWSA-N 0 3 298.314 1.611 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CNCCO3)n2)s1 ZINC000843219074 921282533 /nfs/dbraw/zinc/28/25/33/921282533.db2.gz SJZKNMKPJZYMOA-ZETCQYMHSA-N 0 3 296.308 1.237 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2cc3n(n2)CCCO3)C1 ZINC001169007591 927611415 /nfs/dbraw/zinc/61/14/15/927611415.db2.gz OIVDUSOUTBKDSW-QWRGUYRKSA-N 0 3 280.328 1.201 20 5 CDBDHN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035790 927643515 /nfs/dbraw/zinc/64/35/15/927643515.db2.gz CHTKHZXAXONUSS-RVMXOQNASA-N 0 3 286.372 1.951 20 5 CDBDHN CC(=O)[C@@H]1CCCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039105 927650763 /nfs/dbraw/zinc/65/07/63/927650763.db2.gz NBNCSICQZRUVLF-UPJWGTAASA-N 0 3 254.330 1.875 20 5 CDBDHN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056333 927672204 /nfs/dbraw/zinc/67/22/04/927672204.db2.gz RVJXZZXNDGCNCA-PPCPHDFISA-N 0 3 282.340 1.458 20 5 CDBDHN NCc1cnnn1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001169308103 927944226 /nfs/dbraw/zinc/94/42/26/927944226.db2.gz GFHLRDWUWSTUSW-UHFFFAOYSA-N 0 3 288.242 1.322 20 5 CDBDHN CO[C@@H](C)CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169776819 928406288 /nfs/dbraw/zinc/40/62/88/928406288.db2.gz NNAXHRLUNLHHTE-QMMMGPOBSA-N 0 3 251.286 1.645 20 5 CDBDHN CN1CCC[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001157262983 929399776 /nfs/dbraw/zinc/39/97/76/929399776.db2.gz ZMBSUPKRURIZIV-JOYOIKCWSA-N 0 3 280.303 1.659 20 5 CDBDHN Cc1nc(-n2nc(CN)c3ccccc32)ncc1[N+](=O)[O-] ZINC001156865198 938427485 /nfs/dbraw/zinc/42/74/85/938427485.db2.gz TUPNMAGRLMLLGG-UHFFFAOYSA-N 0 3 284.279 1.491 20 5 CDBDHN C[C@H](N)c1ccn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)n1 ZINC001158351055 938612707 /nfs/dbraw/zinc/61/27/07/938612707.db2.gz SKHLWZNOQNWJNB-ZETCQYMHSA-N 0 3 272.268 1.677 20 5 CDBDHN C[C@@H](N)c1nc2ccccc2n1-c1nccnc1[N+](=O)[O-] ZINC001162759421 939133969 /nfs/dbraw/zinc/13/39/69/939133969.db2.gz RXJUEQXLIVQAQQ-MRVPVSSYSA-N 0 3 284.279 1.743 20 5 CDBDHN C[C@H](N)c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cn1 ZINC001162760253 939134232 /nfs/dbraw/zinc/13/42/32/939134232.db2.gz OFHVZGUGMCEBPF-QMMMGPOBSA-N 0 3 284.279 1.743 20 5 CDBDHN O=[N+]([O-])c1ccc2ncnc(-n3cnc4c3CNCC4)c2c1 ZINC001164313700 939452470 /nfs/dbraw/zinc/45/24/70/939452470.db2.gz PHPHTCXQPPKQNG-UHFFFAOYSA-N 0 3 296.290 1.369 20 5 CDBDHN Cc1nc(N2CC(C)(N(C)C)C2)ccc1[N+](=O)[O-] ZINC001165117119 939511988 /nfs/dbraw/zinc/51/19/88/939511988.db2.gz PWMLXOVFQUTYTM-UHFFFAOYSA-N 0 3 250.302 1.439 20 5 CDBDHN O=[N+]([O-])c1c[n+]([O-])ccc1OC1CCN(C2CC2)CC1 ZINC001229451985 942476858 /nfs/dbraw/zinc/47/68/58/942476858.db2.gz LOHZFLJMIYPRDQ-UHFFFAOYSA-N 0 3 279.296 1.234 20 5 CDBDHN CC(=O)N/C(=C/c1cccs1)C(=O)OCC(C)[N+](=O)[O-] ZINC001525760330 970983678 /nfs/dbraw/zinc/98/36/78/970983678.db2.gz YWXOSJGPNWFROM-JMUHATKESA-N 0 3 298.320 1.434 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234913706 943971415 /nfs/dbraw/zinc/97/14/15/943971415.db2.gz BXESQRYRAMSLMA-SECBINFHSA-O 0 3 284.405 1.694 20 5 CDBDHN COc1ccc(C[C@@H](C)N2C[C@@H](F)[C@@H](N)C2)c([N+](=O)[O-])c1 ZINC001246528387 948230410 /nfs/dbraw/zinc/23/04/10/948230410.db2.gz WXVKJTCILFPNSM-WQAKAFBOSA-N 0 3 297.330 1.515 20 5 CDBDHN CC[C@@H]1CN(CC[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001334782640 959359635 /nfs/dbraw/zinc/35/96/35/959359635.db2.gz AUWWZHOTXPADID-OAHLLOKOSA-N 0 3 277.368 1.860 20 5 CDBDHN CCN1CCCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001341769155 963537180 /nfs/dbraw/zinc/53/71/80/963537180.db2.gz KNRRYCSWEXLREO-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN Cc1cc(NC(=O)N(C)CCN(C)C)cc([N+](=O)[O-])c1 ZINC001345952260 964867598 /nfs/dbraw/zinc/86/75/98/964867598.db2.gz CHXDHDOLPPADLA-UHFFFAOYSA-N 0 3 280.328 1.929 20 5 CDBDHN CN1CCCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001349863703 966502879 /nfs/dbraw/zinc/50/28/79/966502879.db2.gz NUHSFRUWOOHFHE-CQSZACIVSA-N 0 3 291.351 1.738 20 5 CDBDHN CC(COC(=O)C[C@@H]1C(=O)Nc2c1cccc2F)[N+](=O)[O-] ZINC001515228622 976410109 /nfs/dbraw/zinc/41/01/09/976410109.db2.gz BJTQRLCZHQZRRB-APPZFPTMSA-N 0 3 296.254 1.460 20 5 CDBDHN C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000046275331 342055874 /nfs/dbraw/zinc/05/58/74/342055874.db2.gz CSNLETNWGUKHTJ-JTQLQIEISA-N 0 3 265.313 1.204 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1 ZINC000592246347 342681050 /nfs/dbraw/zinc/68/10/50/342681050.db2.gz JSXCRTMVTSGREO-GFCCVEGCSA-N 0 3 277.324 1.665 20 5 CDBDHN C[C@@H](N[C@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593719403 342828869 /nfs/dbraw/zinc/82/88/69/342828869.db2.gz XMYVEEWEYRXGQC-KOLCDFICSA-N 0 3 256.277 1.966 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000323169225 342842948 /nfs/dbraw/zinc/84/29/48/342842948.db2.gz LZFBRPOQPVYVDR-RYUDHWBXSA-N 0 3 254.261 1.737 20 5 CDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC/C=C\CO ZINC000595073135 343002722 /nfs/dbraw/zinc/00/27/22/343002722.db2.gz SGOHTUBRIJDOIT-OTDNITJGSA-N 0 3 293.323 1.450 20 5 CDBDHN CC(C)N1CCC(N(C)c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076267774 342320231 /nfs/dbraw/zinc/32/02/31/342320231.db2.gz PMMNDGQOERCBRF-UHFFFAOYSA-N 0 3 294.359 1.276 20 5 CDBDHN CC[NH+](CC)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596056116 343222134 /nfs/dbraw/zinc/22/21/34/343222134.db2.gz QOOISHRRLFDEOC-UHFFFAOYSA-N 0 3 268.317 1.839 20 5 CDBDHN O=c1[n-]ccc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000596067457 343224544 /nfs/dbraw/zinc/22/45/44/343224544.db2.gz XLKVUMHOLTYVOU-UHFFFAOYSA-N 0 3 278.312 1.734 20 5 CDBDHN CC(C)[N@H+](C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596075507 343226301 /nfs/dbraw/zinc/22/63/01/343226301.db2.gz FHACFMLHIKIYQP-UHFFFAOYSA-N 0 3 268.317 1.838 20 5 CDBDHN CC(C)[N@@H+](C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596075507 343226303 /nfs/dbraw/zinc/22/63/03/343226303.db2.gz FHACFMLHIKIYQP-UHFFFAOYSA-N 0 3 268.317 1.838 20 5 CDBDHN O=[N+]([O-])c1ccccc1N[C@H]1CCCN(CCCO)C1 ZINC000294988881 199286759 /nfs/dbraw/zinc/28/67/59/199286759.db2.gz QBTGYAURDHATTJ-LBPRGKRZSA-N 0 3 279.340 1.854 20 5 CDBDHN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596231467 343261825 /nfs/dbraw/zinc/26/18/25/343261825.db2.gz JORQUIIQJDEENQ-GHMZBOCLSA-N 0 3 292.339 1.758 20 5 CDBDHN CC1(C)CCC[N@@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596266236 343280170 /nfs/dbraw/zinc/28/01/70/343280170.db2.gz OXDJRBJGLIMDIZ-UHFFFAOYSA-N 0 3 280.328 1.982 20 5 CDBDHN CC1(C)CCC[N@H+]1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596266236 343280173 /nfs/dbraw/zinc/28/01/73/343280173.db2.gz OXDJRBJGLIMDIZ-UHFFFAOYSA-N 0 3 280.328 1.982 20 5 CDBDHN Cc1nn(C)c(N2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000408100959 282271925 /nfs/dbraw/zinc/27/19/25/282271925.db2.gz XQXJBPXZCWSTCZ-GFCCVEGCSA-N 0 3 293.371 1.701 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000598341581 343770071 /nfs/dbraw/zinc/77/00/71/343770071.db2.gz CVYSMLCTIHLFQA-JTQLQIEISA-N 0 3 292.339 1.391 20 5 CDBDHN COc1ccc(CN[C@H]2C[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000599016868 343944675 /nfs/dbraw/zinc/94/46/75/343944675.db2.gz VPPYLRQLAWPDSJ-XYPYZODXSA-N 0 3 266.297 1.870 20 5 CDBDHN CC[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CCCO1 ZINC000602825355 344611520 /nfs/dbraw/zinc/61/15/20/344611520.db2.gz KQOWFEKRZPRJGI-GFCCVEGCSA-N 0 3 282.344 1.601 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@H]1CSCCN1 ZINC000603420378 344799712 /nfs/dbraw/zinc/79/97/12/344799712.db2.gz TWNKUNLHWROXKZ-QMMMGPOBSA-N 0 3 254.315 1.107 20 5 CDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000604467893 344893664 /nfs/dbraw/zinc/89/36/64/344893664.db2.gz SFVQFDZOHKBMLH-NSHDSACASA-N 0 3 294.355 1.490 20 5 CDBDHN CCO[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000610485192 346297137 /nfs/dbraw/zinc/29/71/37/346297137.db2.gz BBRGSZWUJSEDBU-NSHDSACASA-N 0 3 268.317 1.292 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000025149476 348620014 /nfs/dbraw/zinc/62/00/14/348620014.db2.gz RYAYDFMMRHBHLB-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN CN(CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000067701840 349032959 /nfs/dbraw/zinc/03/29/59/349032959.db2.gz WWXSLXPLCDWUQA-RMKNXTFCSA-N 0 3 289.335 1.818 20 5 CDBDHN CN(CCNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000067701373 349033608 /nfs/dbraw/zinc/03/36/08/349033608.db2.gz SQVQKQWTSRUULM-UHFFFAOYSA-N 0 3 263.297 1.419 20 5 CDBDHN CC(C)CN1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000312931778 350803428 /nfs/dbraw/zinc/80/34/28/350803428.db2.gz FBGXLIGXYTWWMM-UHFFFAOYSA-N 0 3 279.344 1.350 20 5 CDBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000271612615 191240912 /nfs/dbraw/zinc/24/09/12/191240912.db2.gz KMDAAODSHGOFKI-LBPRGKRZSA-N 0 3 265.313 1.727 20 5 CDBDHN C[C@@](O)(CNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336794813 356262033 /nfs/dbraw/zinc/26/20/33/356262033.db2.gz FVINDQFZHFRROM-CYBMUJFWSA-N 0 3 250.298 1.845 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286369741 356268970 /nfs/dbraw/zinc/26/89/70/356268970.db2.gz GFNCPMJSQDNPHO-MCIONIFRSA-N 0 3 280.324 1.473 20 5 CDBDHN CC(=O)c1cc(NC[C@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000286387966 356279770 /nfs/dbraw/zinc/27/97/70/356279770.db2.gz YSIOBEHJHWVGRB-AWEZNQCLSA-N 0 3 295.339 1.522 20 5 CDBDHN CC[C@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000229938961 356318790 /nfs/dbraw/zinc/31/87/90/356318790.db2.gz RCFADMPODZNHOJ-NSHDSACASA-N 0 3 261.285 1.644 20 5 CDBDHN CC(C)[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810228 356539392 /nfs/dbraw/zinc/53/93/92/356539392.db2.gz JTLABKAEROGQGN-GFCCVEGCSA-N 0 3 265.313 1.537 20 5 CDBDHN C[C@@H]1[C@H](O)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000590762208 358512277 /nfs/dbraw/zinc/51/22/77/358512277.db2.gz AYYMXRWBUCHHDX-ZWNOBZJWSA-N 0 3 293.323 1.379 20 5 CDBDHN COc1cccc(NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000135060252 357314820 /nfs/dbraw/zinc/31/48/20/357314820.db2.gz UMBGXHSJVOSHFJ-SECBINFHSA-N 0 3 267.285 1.004 20 5 CDBDHN CC(C)(CC(N)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000186214623 357625041 /nfs/dbraw/zinc/62/50/41/357625041.db2.gz SGNKNCYJKOOLIC-UHFFFAOYSA-N 0 3 251.286 1.338 20 5 CDBDHN COC(=O)C1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000188672074 357924151 /nfs/dbraw/zinc/92/41/51/357924151.db2.gz FGWCCDNUJOJODM-UHFFFAOYSA-N 0 3 264.281 1.638 20 5 CDBDHN COc1ccc(CNCCCCO)cc1[N+](=O)[O-] ZINC000193284181 358280702 /nfs/dbraw/zinc/28/07/02/358280702.db2.gz FHAVOLAEXVJEQI-UHFFFAOYSA-N 0 3 254.286 1.466 20 5 CDBDHN C[C@@H]1C[C@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341581611 358666474 /nfs/dbraw/zinc/66/64/74/358666474.db2.gz HDDNINNHMZTCOS-WDEREUQCSA-N 0 3 265.313 1.487 20 5 CDBDHN CC1(C)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000341184792 366522889 /nfs/dbraw/zinc/52/28/89/366522889.db2.gz LNLMQFNOUGVGNK-UHFFFAOYSA-N 0 3 252.318 1.913 20 5 CDBDHN CC1(C)C[C@@H](O)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451802451 359082561 /nfs/dbraw/zinc/08/25/61/359082561.db2.gz NVIZXFAYCSIDBD-LBPRGKRZSA-N 0 3 282.344 1.274 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000112926405 359365449 /nfs/dbraw/zinc/36/54/49/359365449.db2.gz SOYXBEDFZAMFPG-UHFFFAOYSA-N 0 3 281.312 1.285 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3OCCC[C@@H]3C2)n1 ZINC000153002302 359619483 /nfs/dbraw/zinc/61/94/83/359619483.db2.gz XLQADRPXJKQTQO-NEPJUHHUSA-N 0 3 280.328 1.292 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2CO)c1 ZINC000063545772 361040172 /nfs/dbraw/zinc/04/01/72/361040172.db2.gz AUEPRFSVRNLXOQ-GFCCVEGCSA-N 0 3 266.297 1.430 20 5 CDBDHN CCN1CCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000035121782 361265024 /nfs/dbraw/zinc/26/50/24/361265024.db2.gz KSVYJLMQXRJJIH-VIFPVBQESA-N 0 3 253.306 1.225 20 5 CDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000294852947 361459248 /nfs/dbraw/zinc/45/92/48/361459248.db2.gz CHKWXFXEGQOFTK-NSHDSACASA-N 0 3 276.340 1.910 20 5 CDBDHN COC[C@H](CCO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293738489 364463493 /nfs/dbraw/zinc/46/34/93/364463493.db2.gz NJJSQPSGESNZMQ-ONGXEEELSA-N 0 3 283.328 1.225 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149166875 364759299 /nfs/dbraw/zinc/75/92/99/364759299.db2.gz ORRMUSVYRWGTDP-VIFPVBQESA-N 0 3 297.742 1.930 20 5 CDBDHN CC[C@@H](NC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000181731189 365038022 /nfs/dbraw/zinc/03/80/22/365038022.db2.gz KSNITOHQSQVYJT-ZIAGYGMSSA-N 0 3 280.324 1.787 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCNCC1 ZINC000414648398 241300411 /nfs/dbraw/zinc/30/04/11/241300411.db2.gz BENMRBNCIOAGTE-UHFFFAOYSA-N 0 3 294.311 1.431 20 5 CDBDHN Cc1cnc(N(C)C[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420637560 244303055 /nfs/dbraw/zinc/30/30/55/244303055.db2.gz OYJLVAAVVQIXKK-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN Cc1nn(C)c(N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000301304549 373504669 /nfs/dbraw/zinc/50/46/69/373504669.db2.gz SZYHFSCQVPBFGM-LLVKDONJSA-N 0 3 281.360 1.415 20 5 CDBDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000169003085 373856606 /nfs/dbraw/zinc/85/66/06/373856606.db2.gz RIFHGBRMSAYFQW-QMMMGPOBSA-N 0 3 268.273 1.865 20 5 CDBDHN CC[C@@H](NC[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523854 374387893 /nfs/dbraw/zinc/38/78/93/374387893.db2.gz NUJZHNCRLJXNHQ-UONOGXRCSA-N 0 3 279.340 1.624 20 5 CDBDHN Cc1c(C(=O)N(C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000080393281 374464672 /nfs/dbraw/zinc/46/46/72/374464672.db2.gz LDWOCQQMNNCWRM-UHFFFAOYSA-N 0 3 265.313 1.537 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCC1(N2CCOCC2)CC1 ZINC000277445489 374787928 /nfs/dbraw/zinc/78/79/28/374787928.db2.gz FPGAJISMMVIWNA-UHFFFAOYSA-N 0 3 291.351 1.549 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)[C@H]2CCOC2)c1 ZINC000280204148 374985591 /nfs/dbraw/zinc/98/55/91/374985591.db2.gz FCBMZVJVHXIFNJ-STQMWFEESA-N 0 3 280.324 1.329 20 5 CDBDHN COCC[C@@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000282212176 375071770 /nfs/dbraw/zinc/07/17/70/375071770.db2.gz MCYMDHXWDHGJTC-LBPRGKRZSA-N 0 3 268.313 1.390 20 5 CDBDHN COc1cc(C(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000299656280 375192075 /nfs/dbraw/zinc/19/20/75/375192075.db2.gz YHJHKWHVMBKGAL-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN C[C@H](O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162746424 375503728 /nfs/dbraw/zinc/50/37/28/375503728.db2.gz PHQBKLXCQYAFMM-JQWIXIFHSA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@@H](NC[C@H](O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119446 375553544 /nfs/dbraw/zinc/55/35/44/375553544.db2.gz JBWQGRZLTJGYPC-MFKMUULPSA-N 0 3 267.329 1.168 20 5 CDBDHN C[C@@H](O)CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728714 375746292 /nfs/dbraw/zinc/74/62/92/375746292.db2.gz IHLWJUSZDZHNPE-NEPJUHHUSA-N 0 3 294.355 1.637 20 5 CDBDHN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000122817179 375806789 /nfs/dbraw/zinc/80/67/89/375806789.db2.gz IEAVVBSZVHGHHV-ZETCQYMHSA-N 0 3 256.693 1.441 20 5 CDBDHN Cc1cnc(NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000231138101 376317245 /nfs/dbraw/zinc/31/72/45/376317245.db2.gz GLHUXGINJAAMMB-SNVBAGLBSA-N 0 3 250.302 1.804 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC[C@H]1CCCO1 ZINC000232740952 377415641 /nfs/dbraw/zinc/41/56/41/377415641.db2.gz BZOQRPPLPZNKOV-GFCCVEGCSA-N 0 3 293.323 1.610 20 5 CDBDHN C[C@H](O)[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000267036262 379605322 /nfs/dbraw/zinc/60/53/22/379605322.db2.gz CEGCWWQPIDATTI-WDEREUQCSA-N 0 3 268.317 1.027 20 5 CDBDHN CN(C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450384626 251256113 /nfs/dbraw/zinc/25/61/13/251256113.db2.gz CAMOYNYCXFCXAA-GFCCVEGCSA-N 0 3 280.328 1.147 20 5 CDBDHN O=[N+]([O-])c1cccc(F)c1NC[C@H]1CCCN1CCCO ZINC000450599530 251359674 /nfs/dbraw/zinc/35/96/74/251359674.db2.gz SLYBAFNIGMGUGB-LLVKDONJSA-N 0 3 297.330 1.993 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)[C@@H]1CCOC1 ZINC000280260921 194771144 /nfs/dbraw/zinc/77/11/44/194771144.db2.gz JVMWPFYDULOCIB-OLZOCXBDSA-N 0 3 280.324 1.329 20 5 CDBDHN CN(C)C/C=C\C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000492614123 253256885 /nfs/dbraw/zinc/25/68/85/253256885.db2.gz FDOCEIRTJBFLTQ-ARJAWSKDSA-N 0 3 297.742 1.982 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@H]2O)cc1 ZINC000037691592 285115201 /nfs/dbraw/zinc/11/52/01/285115201.db2.gz MDSTXVZXGKBJLO-CHWSQXEVSA-N 0 3 250.298 1.988 20 5 CDBDHN CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000281385090 195219827 /nfs/dbraw/zinc/21/98/27/195219827.db2.gz MNPBSXICBASXFF-ZDUSSCGKSA-N 0 3 295.339 1.257 20 5 CDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000286330419 390197898 /nfs/dbraw/zinc/19/78/98/390197898.db2.gz LLBMKOZQLLNHQZ-MNOVXSKESA-N 0 3 277.328 1.448 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](CO)C2)c1 ZINC000265918135 391653674 /nfs/dbraw/zinc/65/36/74/391653674.db2.gz XPGMPIOUBYXCAF-NSHDSACASA-N 0 3 266.297 1.288 20 5 CDBDHN COCCN(C)CCNc1ncc([N+](=O)[O-])s1 ZINC000189686178 130007858 /nfs/dbraw/zinc/00/78/58/130007858.db2.gz FHQYKKMKCIQUDW-UHFFFAOYSA-N 0 3 260.319 1.041 20 5 CDBDHN COc1ccc(CNC[C@H](C)OC)cc1[N+](=O)[O-] ZINC000191221277 130204569 /nfs/dbraw/zinc/20/45/69/130204569.db2.gz OGKBHQWYWSGJHJ-VIFPVBQESA-N 0 3 254.286 1.728 20 5 CDBDHN CC(COC(=O)C1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496548454 391923380 /nfs/dbraw/zinc/92/33/80/391923380.db2.gz MALYNLFGCASQRR-MRVPVSSYSA-N 0 3 288.300 1.062 20 5 CDBDHN C[C@@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237442565 131030839 /nfs/dbraw/zinc/03/08/39/131030839.db2.gz OTEPTQYISVFKGM-SSDOTTSWSA-N 0 3 271.704 1.554 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCc3nnnn3CC2)cs1 ZINC000421395432 392934947 /nfs/dbraw/zinc/93/49/47/392934947.db2.gz INYLGSBYYZPJHN-SECBINFHSA-N 0 3 294.340 1.138 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421708212 392942129 /nfs/dbraw/zinc/94/21/29/392942129.db2.gz ZSORRPGNMAGQMD-CYBMUJFWSA-N 0 3 277.324 1.761 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000430199667 393091105 /nfs/dbraw/zinc/09/11/05/393091105.db2.gz DDLUOEUAJGZLOY-GDLCADMTSA-N 0 3 292.335 1.806 20 5 CDBDHN C[S@](=O)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000116919339 393057764 /nfs/dbraw/zinc/05/77/64/393057764.db2.gz IHQKCDXZQXMYLJ-QGZVFWFLSA-N 0 3 256.327 1.453 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCC(N)=O ZINC000353192021 393236597 /nfs/dbraw/zinc/23/65/97/393236597.db2.gz ADZXFEFJVXWAHT-JTQLQIEISA-N 0 3 265.313 1.771 20 5 CDBDHN COc1cc(NC[C@H]2CNCCO2)c(F)cc1[N+](=O)[O-] ZINC000227861047 140187745 /nfs/dbraw/zinc/18/77/45/140187745.db2.gz WWQGBHNMNSKSGX-MRVPVSSYSA-N 0 3 285.275 1.143 20 5 CDBDHN Cc1c(NC(=O)[C@H](N)CC(F)F)cccc1[N+](=O)[O-] ZINC000311393863 149212992 /nfs/dbraw/zinc/21/29/92/149212992.db2.gz NWUOKSXZTMQUJA-SSDOTTSWSA-N 0 3 273.239 1.824 20 5 CDBDHN Cc1ccc(CN(C)C2CC(O)C2)cc1[N+](=O)[O-] ZINC000355375057 157013061 /nfs/dbraw/zinc/01/30/61/157013061.db2.gz YWNZMJWDCLDGEN-UHFFFAOYSA-N 0 3 250.298 1.858 20 5 CDBDHN Cc1c(CNC(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000359547944 158283501 /nfs/dbraw/zinc/28/35/01/158283501.db2.gz QLZNKJORWRVTML-UHFFFAOYSA-N 0 3 280.328 1.264 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000362086139 159065334 /nfs/dbraw/zinc/06/53/34/159065334.db2.gz IEEOCHHDEBDUGS-RYUDHWBXSA-N 0 3 280.324 1.534 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285441773 196286097 /nfs/dbraw/zinc/28/60/97/196286097.db2.gz IJBIIIVFEVOCHB-UHFFFAOYSA-N 0 3 266.297 1.430 20 5 CDBDHN CC(C)[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676249 174373805 /nfs/dbraw/zinc/37/38/05/174373805.db2.gz BEGJOCBPGAOXHD-GFCCVEGCSA-N 0 3 265.313 1.237 20 5 CDBDHN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)CN1 ZINC000261628835 274371537 /nfs/dbraw/zinc/37/15/37/274371537.db2.gz AYUWNWLVOHCFRZ-SFYZADRCSA-N 0 3 293.352 1.786 20 5 CDBDHN Cc1cc(C(=O)N2CCCNCC2)ccc1[N+](=O)[O-] ZINC000019403805 274678133 /nfs/dbraw/zinc/67/81/33/274678133.db2.gz UGOZMVYPQGWOBV-UHFFFAOYSA-N 0 3 263.297 1.339 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1CNCCO1)CCC2 ZINC000423543170 275038294 /nfs/dbraw/zinc/03/82/94/275038294.db2.gz BOIFUCFWTUPEJA-DZGCQCFKSA-N 0 3 291.351 1.550 20 5 CDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286477454 279997362 /nfs/dbraw/zinc/99/73/62/279997362.db2.gz WHQNVIDVFNAYSU-UWVGGRQHSA-N 0 3 292.343 1.030 20 5 CDBDHN C[C@@H](NCCN1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245457788 280210463 /nfs/dbraw/zinc/21/04/63/280210463.db2.gz JZDVVIZPOOXGIL-QWHCGFSZSA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@H]1NCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000514783988 280847797 /nfs/dbraw/zinc/84/77/97/280847797.db2.gz ZUJKIYGJHOTNBE-MNOVXSKESA-N 0 3 292.339 1.487 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000122908745 288328834 /nfs/dbraw/zinc/32/88/34/288328834.db2.gz KNBRVIXZTVHXBT-JGVFFNPUSA-N 0 3 270.720 1.830 20 5 CDBDHN CCN(C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255005994 289349496 /nfs/dbraw/zinc/34/94/96/289349496.db2.gz SKUWGGLMQNMROZ-HJWRWDBZSA-N 0 3 277.324 1.676 20 5 CDBDHN Cc1nc(NC[C@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000570789479 294307563 /nfs/dbraw/zinc/30/75/63/294307563.db2.gz STPKECRRHGTNAF-SNVBAGLBSA-N 0 3 277.328 1.011 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H]1CCC[C@H]1F ZINC000574750592 295048363 /nfs/dbraw/zinc/04/83/63/295048363.db2.gz ZBXSISHQJAUSOK-UTUOFQBUSA-N 0 3 298.314 1.815 20 5 CDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762486 325038073 /nfs/dbraw/zinc/03/80/73/325038073.db2.gz JYTJWLRCFMAXCC-NXEZZACHSA-N 0 3 295.343 1.168 20 5 CDBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])n1C)C1CC1 ZINC000338436791 521072377 /nfs/dbraw/zinc/07/23/77/521072377.db2.gz NOKLJKUDFLJORZ-UHFFFAOYSA-N 0 3 280.328 1.147 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000157331628 522827950 /nfs/dbraw/zinc/82/79/50/522827950.db2.gz PNJYGSLINXDEGE-UHFFFAOYSA-N 0 3 292.339 1.345 20 5 CDBDHN CCN(CC)CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000772187910 575670182 /nfs/dbraw/zinc/67/01/82/575670182.db2.gz ZDCPASAUMHIISD-UHFFFAOYSA-N 0 3 299.302 1.815 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(C)C1=O ZINC000773985130 575846858 /nfs/dbraw/zinc/84/68/58/575846858.db2.gz WFGFPZRSGDTUBE-JTQLQIEISA-N 0 3 278.264 1.287 20 5 CDBDHN C[C@H](N[C@H](CO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763071532 576708951 /nfs/dbraw/zinc/70/89/51/576708951.db2.gz SAXRRBDOOKURJV-TVQRCGJNSA-N 0 3 293.323 1.282 20 5 CDBDHN O=[N+]([O-])c1c2nonc2ccc1N[C@H]1CCN(C2CC2)C1 ZINC000892000493 617398958 /nfs/dbraw/zinc/39/89/58/617398958.db2.gz QSMPYQKHXNJOLL-QMMMGPOBSA-N 0 3 289.295 1.780 20 5 CDBDHN CC[C@@H](COC)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893021098 618063590 /nfs/dbraw/zinc/06/35/90/618063590.db2.gz DLAYPKVHWIWWGU-JTQLQIEISA-N 0 3 284.312 1.824 20 5 CDBDHN Cc1cc(C[C@H](C)NCC[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000905178747 626662795 /nfs/dbraw/zinc/66/27/95/626662795.db2.gz AFYWDFOUWXRSNR-LBPRGKRZSA-N 0 3 288.351 1.978 20 5 CDBDHN CC(C)(C)OC(=O)N[C@H](CNCC[N+](=O)[O-])C1CC1 ZINC000905189350 626667811 /nfs/dbraw/zinc/66/78/11/626667811.db2.gz IGBSEZBPDOATJU-SNVBAGLBSA-N 0 3 273.333 1.156 20 5 CDBDHN O=[N+]([O-])CCN[C@@H]1CCCN(c2ccccc2F)C1 ZINC000905192494 626669978 /nfs/dbraw/zinc/66/99/78/626669978.db2.gz UKZJPEFQHFRCRF-LLVKDONJSA-N 0 3 267.304 1.661 20 5 CDBDHN O=[N+]([O-])CCNC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000905367764 626786547 /nfs/dbraw/zinc/78/65/47/626786547.db2.gz VCRQLSVGCKWKKY-CHWSQXEVSA-N 0 3 268.288 1.158 20 5 CDBDHN COc1cc(C)nc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001158350140 1162905850 /nfs/dbraw/zinc/90/58/50/1162905850.db2.gz YJKHFICMEJAREX-MRVPVSSYSA-N 0 3 277.284 1.512 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cc(N2CCNC3(CC3)C2)n1 ZINC001158936849 1163845931 /nfs/dbraw/zinc/84/59/31/1163845931.db2.gz SYKWLALKCXMHDF-UHFFFAOYSA-N 0 3 268.704 1.585 20 5 CDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](C)C(=O)N(C)C ZINC000866347679 751360235 /nfs/dbraw/zinc/36/02/35/751360235.db2.gz VXKDTZKCRJONKO-ZJUUUORDSA-N 0 3 297.330 1.731 20 5 CDBDHN CC(COC(=O)[C@@H]1CCc2ccccc2O1)[N+](=O)[O-] ZINC000842363555 751864778 /nfs/dbraw/zinc/86/47/78/751864778.db2.gz KUPDBHKALZLNQE-SKDRFNHKSA-N 0 3 265.265 1.589 20 5 CDBDHN Cc1c(CN[C@@H](C)C[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000168922500 752164032 /nfs/dbraw/zinc/16/40/32/752164032.db2.gz ZCNMUXYJMJQLKK-YYSFKGJASA-N 0 3 270.354 1.760 20 5 CDBDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCC[N+](=O)[O-])C1(C)C ZINC000930879019 752195612 /nfs/dbraw/zinc/19/56/12/752195612.db2.gz GWTOHRAPFLPXSR-ZJUUUORDSA-N 0 3 287.360 1.545 20 5 CDBDHN CC(COC(=O)CCNC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813106877 749617886 /nfs/dbraw/zinc/61/78/86/749617886.db2.gz HDCDUXRUHPJXMV-VIFPVBQESA-N 0 3 298.270 1.154 20 5 CDBDHN CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000790452571 749686450 /nfs/dbraw/zinc/68/64/50/749686450.db2.gz QXIFYILETMBJJI-OLZOCXBDSA-N 0 3 280.324 1.331 20 5 CDBDHN Cc1ccccc1COCC(=O)OCC(C)[N+](=O)[O-] ZINC000857030822 749808342 /nfs/dbraw/zinc/80/83/42/749808342.db2.gz ZEDNRCJREMJTES-NSHDSACASA-N 0 3 267.281 1.720 20 5 CDBDHN COc1cc(CNC[C@H]2C[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000873177579 750165383 /nfs/dbraw/zinc/16/53/83/750165383.db2.gz VURMQJGIIIZAHO-HOMQSWHASA-N 0 3 296.323 1.473 20 5 CDBDHN CN(C)Cc1cccc(C(=O)OCCC[N+](=O)[O-])c1 ZINC000860918286 750209117 /nfs/dbraw/zinc/20/91/17/750209117.db2.gz FQGAJKYNUQQAQB-UHFFFAOYSA-N 0 3 266.297 1.572 20 5 CDBDHN CC(COC(=O)c1cc(Cl)nc(N(C)C)c1)[N+](=O)[O-] ZINC000813108610 750329355 /nfs/dbraw/zinc/32/93/55/750329355.db2.gz IFHUEGHDHRSQQU-ZETCQYMHSA-N 0 3 287.703 1.623 20 5 CDBDHN CON(C)C(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795218758 750812322 /nfs/dbraw/zinc/81/23/22/750812322.db2.gz CGZZSCFMQDKRFG-UHFFFAOYSA-N 0 3 295.339 1.829 20 5 CDBDHN CC[S@@](=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848532134 750891757 /nfs/dbraw/zinc/89/17/57/750891757.db2.gz ZVLBZXCZAWVZFQ-HXPMCKFVSA-N 0 3 282.365 1.940 20 5 CDBDHN CC(=O)Nc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1F ZINC000813108160 750916446 /nfs/dbraw/zinc/91/64/46/750916446.db2.gz BLSZJYZBKMSGGH-ZETCQYMHSA-N 0 3 284.243 1.606 20 5 CDBDHN COCC[C@@H](CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000798967442 751025431 /nfs/dbraw/zinc/02/54/31/751025431.db2.gz YWPXRVOCFAYVNX-JTQLQIEISA-N 0 3 288.731 1.735 20 5 CDBDHN CN(CCCF)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887141056 752570511 /nfs/dbraw/zinc/57/05/11/752570511.db2.gz DJEWBIVLIGTRRE-GFCCVEGCSA-N 0 3 256.277 1.920 20 5 CDBDHN Cc1ccc(CN[C@](C)(C(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000312231658 753082934 /nfs/dbraw/zinc/08/29/34/753082934.db2.gz HRWDUECXVCDYOM-AWEZNQCLSA-N 0 3 279.340 1.893 20 5 CDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000923308098 753095576 /nfs/dbraw/zinc/09/55/76/753095576.db2.gz BARNNTSMDQTKOO-NWDGAFQWSA-N 0 3 289.335 1.904 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)SCC(=O)N2)[N+](=O)[O-] ZINC000813109145 753117439 /nfs/dbraw/zinc/11/74/39/753117439.db2.gz GDLUIOYBSHBJRB-SSDOTTSWSA-N 0 3 296.304 1.553 20 5 CDBDHN Cc1c(CN[C@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000168922397 753383229 /nfs/dbraw/zinc/38/32/29/753383229.db2.gz ZCNMUXYJMJQLKK-DYBLOJMWSA-N 0 3 270.354 1.760 20 5 CDBDHN CC(C)(CCc1noc(-c2ccnc(CN)c2)n1)[N+](=O)[O-] ZINC000823235636 753509530 /nfs/dbraw/zinc/50/95/30/753509530.db2.gz SHTYEVSCNZOCKF-UHFFFAOYSA-N 0 3 291.311 1.578 20 5 CDBDHN Cc1c(CN[C@]2(CCO)CCOC2)cccc1[N+](=O)[O-] ZINC000873115236 1165511448 /nfs/dbraw/zinc/51/14/48/1165511448.db2.gz KCNWEEHSGISITJ-CQSZACIVSA-N 0 3 280.324 1.534 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CN)cnc1=N ZINC001173226547 912319684 /nfs/dbraw/zinc/31/96/84/912319684.db2.gz XQFIZHVZHZNZAE-JTQLQIEISA-N 0 3 287.323 1.533 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000131047301 917564100 /nfs/dbraw/zinc/56/41/00/917564100.db2.gz TYHZDQSMGOPHMX-UHFFFAOYSA-N 0 3 297.742 1.864 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC(c3cccnc3)C2)C1 ZINC001169040139 927653785 /nfs/dbraw/zinc/65/37/85/927653785.db2.gz YFPADRQLOGUODS-FZMZJTMJSA-N 0 3 261.325 1.926 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NC[C@H](O)C(F)(F)F)CNC2 ZINC001169456704 928032393 /nfs/dbraw/zinc/03/23/93/928032393.db2.gz SQAADUAZTNJVBX-JTQLQIEISA-N 0 3 291.229 1.533 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000886081080 930799073 /nfs/dbraw/zinc/79/90/73/930799073.db2.gz IPJOHDQHWONLGC-YPMHNXCESA-N 0 3 277.324 1.848 20 5 CDBDHN O=[N+]([O-])CCN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000930518524 933392799 /nfs/dbraw/zinc/39/27/99/933392799.db2.gz ACFVSQVLNOYIAO-CQSZACIVSA-N 0 3 276.336 1.947 20 5 CDBDHN CC(COC(=O)CCCC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC001122974527 936095582 /nfs/dbraw/zinc/09/55/82/936095582.db2.gz CGWQZAWDQWXLTJ-SECBINFHSA-N 0 3 275.301 1.707 20 5 CDBDHN CC(COC(=O)c1ncc(Br)cn1)[N+](=O)[O-] ZINC001123041193 936104651 /nfs/dbraw/zinc/10/46/51/936104651.db2.gz CKDHDXXNHMHNCU-YFKPBYRVSA-N 0 3 290.073 1.061 20 5 CDBDHN Cc1cc(CN)nn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001156043213 938313503 /nfs/dbraw/zinc/31/35/03/938313503.db2.gz XUBVVDDQQAIERK-UHFFFAOYSA-N 0 3 272.268 1.424 20 5 CDBDHN NCc1cnnn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001158423238 938621652 /nfs/dbraw/zinc/62/16/52/938621652.db2.gz OXOSUQNJDJOOLZ-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN Cc1c(C)c(N2CC(N(C)C)C2)ncc1[N+](=O)[O-] ZINC001163940700 939359029 /nfs/dbraw/zinc/35/90/29/939359029.db2.gz SGLGIJALZWTEDJ-UHFFFAOYSA-N 0 3 250.302 1.357 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(O[C@@H]2CCN(C(C)C)C2)n1 ZINC001234879425 943965620 /nfs/dbraw/zinc/96/56/20/943965620.db2.gz PIMYZWSITATAHE-SNVBAGLBSA-N 0 3 281.312 1.860 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN2CC[C@@H]2C1 ZINC001254568503 947529940 /nfs/dbraw/zinc/52/99/40/947529940.db2.gz GJLARHLDAYNHSZ-TZMCWYRMSA-N 0 3 275.352 1.916 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC(N3CCCC3)C1)C2 ZINC001254601005 947550474 /nfs/dbraw/zinc/55/04/74/947550474.db2.gz UVNHARRHEARYHY-HNNXBMFYSA-N 0 3 287.363 1.842 20 5 CDBDHN COC[C@@H]1CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611066 947556164 /nfs/dbraw/zinc/55/61/64/947556164.db2.gz UDVBXZQPIGTDEA-KBPBESRZSA-N 0 3 262.309 1.783 20 5 CDBDHN COc1ccc([C@@H](CN2CCCC2)NCC[N+](=O)[O-])cc1 ZINC001335434217 959799726 /nfs/dbraw/zinc/79/97/26/959799726.db2.gz ZGZNAFVHBZVPGP-OAHLLOKOSA-N 0 3 293.367 1.698 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCCC1 ZINC000115430804 342485527 /nfs/dbraw/zinc/48/55/27/342485527.db2.gz JECULMLIYKOGKK-UHFFFAOYSA-N 0 3 293.323 1.429 20 5 CDBDHN CC[C@H]1CN(C)CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000601188494 342488313 /nfs/dbraw/zinc/48/83/13/342488313.db2.gz HPVUCZQVTDZVTL-NSHDSACASA-N 0 3 264.329 1.910 20 5 CDBDHN C[C@@H]1C[C@H](C)CN(CCn2cccc([N+](=O)[O-])c2=O)C1 ZINC000565243351 365618516 /nfs/dbraw/zinc/61/85/16/365618516.db2.gz XRALBDZSRBMTAW-TXEJJXNPSA-N 0 3 279.340 1.734 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000117202936 342621749 /nfs/dbraw/zinc/62/17/49/342621749.db2.gz QNXXGNKEFSLXCK-CABCVRRESA-N 0 3 291.351 1.630 20 5 CDBDHN COc1ccc(NC(=O)[C@H]2NCC2(C)C)cc1[N+](=O)[O-] ZINC000591686536 342643236 /nfs/dbraw/zinc/64/32/36/342643236.db2.gz TYZUTZBCTBCEAC-LLVKDONJSA-N 0 3 279.296 1.540 20 5 CDBDHN Cn1cncc1CCNCc1cccc([N+](=O)[O-])c1 ZINC000401735959 342643681 /nfs/dbraw/zinc/64/36/81/342643681.db2.gz YICMSLIUCDZPKJ-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000592554083 342709170 /nfs/dbraw/zinc/70/91/70/342709170.db2.gz BVWJJTBLRBURJZ-UWVGGRQHSA-N 0 3 281.287 1.333 20 5 CDBDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264913159 539040556 /nfs/dbraw/zinc/04/05/56/539040556.db2.gz FWVXWPCROINFGW-ZJUUUORDSA-N 0 3 278.312 1.232 20 5 CDBDHN CCc1nn(C)c(N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000588818459 342222547 /nfs/dbraw/zinc/22/25/47/342222547.db2.gz UGSWTIHNZYCRIE-LLVKDONJSA-N 0 3 293.371 1.787 20 5 CDBDHN CN1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108330292 349735490 /nfs/dbraw/zinc/73/54/90/349735490.db2.gz VZDIUDVRSDRJNG-CYBMUJFWSA-N 0 3 291.351 1.595 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595872687 343177297 /nfs/dbraw/zinc/17/72/97/343177297.db2.gz KQNSBQWBRWSKDG-SWLSCSKDSA-N 0 3 294.351 1.924 20 5 CDBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000080249994 342351319 /nfs/dbraw/zinc/35/13/19/342351319.db2.gz VBHCLMIABDVUQZ-UHFFFAOYSA-N 0 3 280.328 1.513 20 5 CDBDHN Cc1cc(NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])s1 ZINC000596195060 343254592 /nfs/dbraw/zinc/25/45/92/343254592.db2.gz DTVZNSNHVOJXLJ-LLVKDONJSA-N 0 3 271.342 1.443 20 5 CDBDHN CN(CCN(C)C1CC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596194361 343254161 /nfs/dbraw/zinc/25/41/61/343254161.db2.gz KFXCNYGYCLRQKD-UHFFFAOYSA-N 0 3 265.317 1.102 20 5 CDBDHN CC(C)[N@H+](C)C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596237210 343282951 /nfs/dbraw/zinc/28/29/51/343282951.db2.gz BEDRPPTZPCJMRJ-SECBINFHSA-N 0 3 268.317 1.836 20 5 CDBDHN CC(C)[N@@H+](C)C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596237210 343282952 /nfs/dbraw/zinc/28/29/52/343282952.db2.gz BEDRPPTZPCJMRJ-SECBINFHSA-N 0 3 268.317 1.836 20 5 CDBDHN COc1ccc(CNC2([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234679 343490134 /nfs/dbraw/zinc/49/01/34/343490134.db2.gz NQPQKKBYWVJGMF-VIFPVBQESA-N 0 3 266.297 1.606 20 5 CDBDHN Cc1nc(N[C@@H](C)C2=CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000295084746 199336498 /nfs/dbraw/zinc/33/64/98/199336498.db2.gz ROCUIYHRYSQBJA-VIFPVBQESA-N 0 3 277.328 1.756 20 5 CDBDHN CCN[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600003371 344163634 /nfs/dbraw/zinc/16/36/34/344163634.db2.gz VRXSGPAYCUIKNT-SECBINFHSA-N 0 3 251.286 1.840 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601645198 344211432 /nfs/dbraw/zinc/21/14/32/344211432.db2.gz UYKAGYYZLZHQGC-SNVBAGLBSA-N 0 3 295.314 1.900 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)S[C@H](C)C1 ZINC000602778181 344594426 /nfs/dbraw/zinc/59/44/26/344594426.db2.gz CPUYDRGINIJOHW-NXEZZACHSA-N 0 3 284.385 1.926 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1[C@@H](C)CC[C@@H]1C ZINC000602786234 344599116 /nfs/dbraw/zinc/59/91/16/344599116.db2.gz DRWPUSOIRZGGSW-UWVGGRQHSA-N 0 3 252.318 1.973 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(CC(C)(C)O)C1CC1 ZINC000602810143 344602803 /nfs/dbraw/zinc/60/28/03/344602803.db2.gz DVNWLTAALDSQET-UHFFFAOYSA-N 0 3 282.344 1.335 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)(F)CC1 ZINC000602992894 344682728 /nfs/dbraw/zinc/68/27/28/344682728.db2.gz JAKUSRNKURHYNO-UHFFFAOYSA-N 0 3 270.308 1.924 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC[C@H]1CSCCN1 ZINC000603419672 344799494 /nfs/dbraw/zinc/79/94/94/344799494.db2.gz PENYDNBTKKCGNJ-QMMMGPOBSA-N 0 3 254.315 1.107 20 5 CDBDHN CCN1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604264509 344871929 /nfs/dbraw/zinc/87/19/29/344871929.db2.gz AVVDZBBQOMZEMZ-UHFFFAOYSA-N 0 3 294.355 1.490 20 5 CDBDHN CS[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000611242380 346716810 /nfs/dbraw/zinc/71/68/10/346716810.db2.gz NWQSSLHQPXLHGG-MNOVXSKESA-N 0 3 282.369 1.472 20 5 CDBDHN CC[C@@H](C)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000313033711 350813262 /nfs/dbraw/zinc/81/32/62/350813262.db2.gz QKZWKNBOPJCCOW-SNVBAGLBSA-N 0 3 279.344 1.493 20 5 CDBDHN CNC(=O)CCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000154608923 188153107 /nfs/dbraw/zinc/15/31/07/188153107.db2.gz KZOCXSQAMIXTKA-UHFFFAOYSA-N 0 3 295.339 1.561 20 5 CDBDHN CS[C@H](CO)[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722335 363209046 /nfs/dbraw/zinc/20/90/46/363209046.db2.gz MNLNDMPUOWEBPY-VYUIOLGVSA-N 0 3 299.396 1.940 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC1(O)CCC1 ZINC000353483302 363364805 /nfs/dbraw/zinc/36/48/05/363364805.db2.gz OJFFLNZTMQLRHA-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C)CC1 ZINC000271879506 191386858 /nfs/dbraw/zinc/38/68/58/191386858.db2.gz MWRXLRMNTQMARP-UHFFFAOYSA-N 0 3 289.335 1.895 20 5 CDBDHN CCN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286268387 356239573 /nfs/dbraw/zinc/23/95/73/356239573.db2.gz BHMVKQFJSHETLN-IUODEOHRSA-N 0 3 293.367 1.654 20 5 CDBDHN CCN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286268394 356239659 /nfs/dbraw/zinc/23/96/59/356239659.db2.gz BHMVKQFJSHETLN-WFASDCNBSA-N 0 3 293.367 1.654 20 5 CDBDHN CNC(=O)NC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000299728015 356243725 /nfs/dbraw/zinc/24/37/25/356243725.db2.gz VPAIABJYWZDNTA-VIFPVBQESA-N 0 3 294.311 1.091 20 5 CDBDHN CCN1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609511911 356389482 /nfs/dbraw/zinc/38/94/82/356389482.db2.gz WHXDIHZBRFKRNZ-UHFFFAOYSA-N 0 3 250.302 1.522 20 5 CDBDHN Cc1cc(N2CCN(CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000070980313 357178760 /nfs/dbraw/zinc/17/87/60/357178760.db2.gz SHHRWSNZDLCBJM-UHFFFAOYSA-N 0 3 293.367 1.796 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072622022 357354865 /nfs/dbraw/zinc/35/48/65/357354865.db2.gz ZQBHXXCELWKWOO-CQSZACIVSA-N 0 3 291.351 1.738 20 5 CDBDHN Cc1cc(OC[C@H](O)CN(C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000290728597 357465278 /nfs/dbraw/zinc/46/52/78/357465278.db2.gz FSQYSAZCBSOGKZ-LLVKDONJSA-N 0 3 298.314 1.876 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCC2(O)CCCC2)c1 ZINC000096478929 357478808 /nfs/dbraw/zinc/47/88/08/357478808.db2.gz HLVSRQOYWSMNOO-UHFFFAOYSA-N 0 3 250.298 1.990 20 5 CDBDHN CC[C@@](C)(O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284064547 357637044 /nfs/dbraw/zinc/63/70/44/357637044.db2.gz LAOBOWQQXGTZRF-NOZJJQNGSA-N 0 3 267.329 1.989 20 5 CDBDHN COC(=O)C1(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000188691168 357926959 /nfs/dbraw/zinc/92/69/59/357926959.db2.gz USNNEHHUGSSHCL-UHFFFAOYSA-N 0 3 264.281 1.638 20 5 CDBDHN C[C@H]1CCNC(=O)[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000193580978 358305341 /nfs/dbraw/zinc/30/53/41/358305341.db2.gz WEIVIIZUAMWZGY-GXFFZTMASA-N 0 3 293.323 1.088 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152143993 366502504 /nfs/dbraw/zinc/50/25/04/366502504.db2.gz BDEDUWYADGHRAU-AWEZNQCLSA-N 0 3 294.351 1.865 20 5 CDBDHN CN(C)C(=O)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000051634388 358949307 /nfs/dbraw/zinc/94/93/07/358949307.db2.gz ZUGSSTOJXPAOKE-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)[C@@H]1CCOC1 ZINC000539071484 358954105 /nfs/dbraw/zinc/95/41/05/358954105.db2.gz QDHPHBHFKBWRBN-YWPYICTPSA-N 0 3 294.351 1.951 20 5 CDBDHN CN(C)CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080160820 359525629 /nfs/dbraw/zinc/52/56/29/359525629.db2.gz BWDPCFMFMYAPKR-UHFFFAOYSA-N 0 3 266.301 1.620 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC3CC3)C2)nc1 ZINC000237987077 360316673 /nfs/dbraw/zinc/31/66/73/360316673.db2.gz PJPMTGILVBCRIQ-LLVKDONJSA-N 0 3 262.313 1.886 20 5 CDBDHN COC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178207315 189097572 /nfs/dbraw/zinc/09/75/72/189097572.db2.gz LPOOOLTVCIACIZ-LBPRGKRZSA-N 0 3 293.323 1.548 20 5 CDBDHN Cc1nc(N2CCCN(C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000297234303 360638410 /nfs/dbraw/zinc/63/84/10/360638410.db2.gz UFVKTRYMBNQWTB-UHFFFAOYSA-N 0 3 279.344 1.614 20 5 CDBDHN CC[C@H](N[C@@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000295851597 370693023 /nfs/dbraw/zinc/69/30/23/370693023.db2.gz DYQHDAGOIQMETC-YNEHKIRRSA-N 0 3 266.297 1.395 20 5 CDBDHN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCNCC1 ZINC000160853591 361439363 /nfs/dbraw/zinc/43/93/63/361439363.db2.gz YOJZBHFFAGOEPZ-UHFFFAOYSA-N 0 3 293.323 1.186 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCOCC1 ZINC000036319624 361639755 /nfs/dbraw/zinc/63/97/55/361639755.db2.gz LUYPLKATBXORRC-UHFFFAOYSA-N 0 3 266.297 1.872 20 5 CDBDHN CC1(C)[C@H](O)C[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000581318967 363978669 /nfs/dbraw/zinc/97/86/69/363978669.db2.gz NELNLJKSECHICV-QWHCGFSZSA-N 0 3 280.324 1.723 20 5 CDBDHN CC[C@@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582073183 364067605 /nfs/dbraw/zinc/06/76/05/364067605.db2.gz VYIDZPXRFZGAKB-JOYOIKCWSA-N 0 3 250.298 1.943 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CNCCO1 ZINC000158956699 364989657 /nfs/dbraw/zinc/98/96/57/364989657.db2.gz MTHHRXYRQARZOR-SNVBAGLBSA-N 0 3 251.286 1.304 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CNCCO1 ZINC000158956546 364991443 /nfs/dbraw/zinc/99/14/43/364991443.db2.gz MTHHRXYRQARZOR-JTQLQIEISA-N 0 3 251.286 1.304 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN(CCO)C1CCOCC1 ZINC000275478607 193053758 /nfs/dbraw/zinc/05/37/58/193053758.db2.gz DPSKQJXMOYWSEA-UHFFFAOYSA-N 0 3 280.324 1.568 20 5 CDBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270871991 366939333 /nfs/dbraw/zinc/93/93/33/366939333.db2.gz JIBJUMBNILWFCC-AAEUAGOBSA-N 0 3 250.298 1.798 20 5 CDBDHN COCCNCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414664631 241309586 /nfs/dbraw/zinc/30/95/86/241309586.db2.gz UAIXWTGSTDMBPJ-UHFFFAOYSA-N 0 3 296.327 1.261 20 5 CDBDHN CCOCCN(CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090529903 367570718 /nfs/dbraw/zinc/57/07/18/367570718.db2.gz YHEZSIFBLOYVQV-UHFFFAOYSA-N 0 3 283.328 1.115 20 5 CDBDHN CN(CCNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000266118829 368556690 /nfs/dbraw/zinc/55/66/90/368556690.db2.gz VWUDQMDMXSDNND-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN COCCOCCCNCc1csc([N+](=O)[O-])c1 ZINC000037562650 369080251 /nfs/dbraw/zinc/08/02/51/369080251.db2.gz ASQIBYQWGHTRAM-UHFFFAOYSA-N 0 3 274.342 1.799 20 5 CDBDHN CN1CC=C(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276320902 193286240 /nfs/dbraw/zinc/28/62/40/193286240.db2.gz FIABUSOHXDZWBZ-UHFFFAOYSA-N 0 3 290.323 1.169 20 5 CDBDHN C[C@@H](CO)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000086632164 371686187 /nfs/dbraw/zinc/68/61/87/371686187.db2.gz FBASKBCHQPELRR-MRVPVSSYSA-N 0 3 258.705 1.966 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000269652072 373369424 /nfs/dbraw/zinc/36/94/24/373369424.db2.gz HZNYCYXXEZXDTP-ZANVPECISA-N 0 3 295.339 1.593 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000113246875 374247091 /nfs/dbraw/zinc/24/70/91/374247091.db2.gz PZYDOJUNHOZCGG-LLVKDONJSA-N 0 3 292.339 1.343 20 5 CDBDHN CC[C@H](NC[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480667 374386154 /nfs/dbraw/zinc/38/61/54/374386154.db2.gz PMKACEYROOLHFQ-CABCVRRESA-N 0 3 292.383 1.539 20 5 CDBDHN C[C@@H](NC[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487761 374386780 /nfs/dbraw/zinc/38/67/80/374386780.db2.gz XTXNJEOAVMXHCS-BXUZGUMPSA-N 0 3 278.356 1.149 20 5 CDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@]1(F)CCNC1 ZINC000376790081 374571353 /nfs/dbraw/zinc/57/13/53/374571353.db2.gz UBOYHEFCWXEHTN-LLVKDONJSA-N 0 3 253.233 1.235 20 5 CDBDHN CN1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000449526107 374817850 /nfs/dbraw/zinc/81/78/50/374817850.db2.gz YURYRGGNUQFHKF-RISCZKNCSA-N 0 3 279.315 1.870 20 5 CDBDHN COC(=O)C(C)(C)CNCc1cccc([N+](=O)[O-])c1 ZINC000093716400 374780441 /nfs/dbraw/zinc/78/04/41/374780441.db2.gz NDNAVWGGZUKVDL-UHFFFAOYSA-N 0 3 266.297 1.884 20 5 CDBDHN CC1(C)CCCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330960274 374875407 /nfs/dbraw/zinc/87/54/07/374875407.db2.gz JFVPFVFFWRYSTE-UHFFFAOYSA-N 0 3 294.355 1.775 20 5 CDBDHN C[C@@H](O)C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331332564 374930420 /nfs/dbraw/zinc/93/04/20/374930420.db2.gz SIFMWIWYBBVZLG-NEPJUHHUSA-N 0 3 282.344 1.417 20 5 CDBDHN CCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280639373 375009040 /nfs/dbraw/zinc/00/90/40/375009040.db2.gz VDOUEDUYOSCOQJ-UHFFFAOYSA-N 0 3 295.339 1.350 20 5 CDBDHN COCC[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000281114912 375036003 /nfs/dbraw/zinc/03/60/03/375036003.db2.gz ADXTYJWDBVZDQN-PWSUYJOCSA-N 0 3 268.313 1.643 20 5 CDBDHN CCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000299269224 375137117 /nfs/dbraw/zinc/13/71/17/375137117.db2.gz HXQTXYPTMNTLGZ-UHFFFAOYSA-N 0 3 266.301 1.668 20 5 CDBDHN C[C@@H](CC(N)=O)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000344888937 375649539 /nfs/dbraw/zinc/64/95/39/375649539.db2.gz OJPOXGDEEISQGX-RWCYGVJQSA-N 0 3 263.297 1.462 20 5 CDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C2CC2)C1 ZINC000058148675 375670711 /nfs/dbraw/zinc/67/07/11/375670711.db2.gz IJJUZPLTYTVVBE-LBPRGKRZSA-N 0 3 289.335 1.490 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](C(N)=O)C1 ZINC000347353777 375812749 /nfs/dbraw/zinc/81/27/49/375812749.db2.gz HJRYCEMNVBFPRB-LWMSPQMPSA-N 0 3 289.335 1.805 20 5 CDBDHN CC1(C)CN(CCNCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000171767066 377003758 /nfs/dbraw/zinc/00/37/58/377003758.db2.gz AQYMPORMUZGMIL-UHFFFAOYSA-N 0 3 293.367 1.795 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3(CO)CCCC3)nc2c1 ZINC000444658291 250160120 /nfs/dbraw/zinc/16/01/20/250160120.db2.gz FOUVVIVCKCTKKR-UHFFFAOYSA-N 0 3 290.323 1.866 20 5 CDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000246596847 379616318 /nfs/dbraw/zinc/61/63/18/379616318.db2.gz IUXPNDVFEDICTP-WDEREUQCSA-N 0 3 293.323 1.744 20 5 CDBDHN CC[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449770637 251009429 /nfs/dbraw/zinc/00/94/29/251009429.db2.gz GBRTXEUUDYNBDC-XYLWRLHESA-N 0 3 277.324 1.722 20 5 CDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000286025955 390189106 /nfs/dbraw/zinc/18/91/06/390189106.db2.gz ZUYSFYKBSJUFEV-WDEREUQCSA-N 0 3 293.323 1.887 20 5 CDBDHN CN(C)CC1(Nc2ncc([N+](=O)[O-])s2)CCC1 ZINC000281767008 195373684 /nfs/dbraw/zinc/37/36/84/195373684.db2.gz CYLXBCXIRIMKDQ-UHFFFAOYSA-N 0 3 256.331 1.948 20 5 CDBDHN CCO[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000451550917 390632615 /nfs/dbraw/zinc/63/26/15/390632615.db2.gz XGABTLUODIIEIF-WCQYABFASA-N 0 3 282.344 1.538 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236971802 391127027 /nfs/dbraw/zinc/12/70/27/391127027.db2.gz SXJXVRFEKAPUSE-ZWNOBZJWSA-N 0 3 294.355 1.496 20 5 CDBDHN CCN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520348286 391270915 /nfs/dbraw/zinc/27/09/15/391270915.db2.gz OOGZDGJEAFKTBU-NSHDSACASA-N 0 3 294.355 1.538 20 5 CDBDHN CC1(C)[C@H](O)C[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000129630808 391600570 /nfs/dbraw/zinc/60/05/70/391600570.db2.gz VZHAZAIIMJFTCP-CHWSQXEVSA-N 0 3 280.324 1.723 20 5 CDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000573908100 391610214 /nfs/dbraw/zinc/61/02/14/391610214.db2.gz AZXDTEASEAGEPT-JTQLQIEISA-N 0 3 295.343 1.264 20 5 CDBDHN CCNC(=O)[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247642 391662007 /nfs/dbraw/zinc/66/20/07/391662007.db2.gz GAKAUWDGACWMDP-MNOVXSKESA-N 0 3 279.340 1.640 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000086468167 391665953 /nfs/dbraw/zinc/66/59/53/391665953.db2.gz MIMCCLWJKDYJST-DTWKUNHWSA-N 0 3 281.287 1.556 20 5 CDBDHN C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471001 391666082 /nfs/dbraw/zinc/66/60/82/391666082.db2.gz BZWQGEHODWJYRU-IUCAKERBSA-N 0 3 253.277 1.921 20 5 CDBDHN COc1cc(C(=O)NCCN(C)C)cc([N+](=O)[O-])c1C ZINC000190331204 130090686 /nfs/dbraw/zinc/09/06/86/130090686.db2.gz KVHMVQZDQVFJHN-UHFFFAOYSA-N 0 3 281.312 1.203 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000416293977 391983638 /nfs/dbraw/zinc/98/36/38/391983638.db2.gz XADHFLYKCGVZSE-UHFFFAOYSA-N 0 3 253.258 1.012 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000237603042 131046397 /nfs/dbraw/zinc/04/63/97/131046397.db2.gz OVCVVFJZZNUYHH-WDEREUQCSA-N 0 3 293.323 1.182 20 5 CDBDHN CCc1n[nH]c(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000422026617 392950933 /nfs/dbraw/zinc/95/09/33/392950933.db2.gz UIHZVTCEAJEVEN-VIFPVBQESA-N 0 3 295.343 1.047 20 5 CDBDHN CCc1[nH]nc(C(=O)N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000422026617 392950943 /nfs/dbraw/zinc/95/09/43/392950943.db2.gz UIHZVTCEAJEVEN-VIFPVBQESA-N 0 3 295.343 1.047 20 5 CDBDHN CN(C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278202225 393141158 /nfs/dbraw/zinc/14/11/58/393141158.db2.gz FECKCOKRCKYLPN-UHFFFAOYSA-N 0 3 250.302 1.536 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](CN3CCCC3)C2)s1 ZINC000192461354 140141038 /nfs/dbraw/zinc/14/10/38/140141038.db2.gz OQWQKHNGNGSXCO-JTQLQIEISA-N 0 3 282.369 1.973 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255276189 140336288 /nfs/dbraw/zinc/33/62/88/140336288.db2.gz CXFRMYBZVWKPPG-XYLWRLHESA-N 0 3 291.351 1.922 20 5 CDBDHN Cn1cnc(CCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC000095016040 147105759 /nfs/dbraw/zinc/10/57/59/147105759.db2.gz YFUDPRFNNZXLLT-UHFFFAOYSA-N 0 3 261.285 1.056 20 5 CDBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000171451157 147794763 /nfs/dbraw/zinc/79/47/63/147794763.db2.gz UIPUMTFZCYWBNH-CQSZACIVSA-N 0 3 289.335 1.905 20 5 CDBDHN CCN(C)CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359102750 158127566 /nfs/dbraw/zinc/12/75/66/158127566.db2.gz HEJGOKKLXRJDII-UHFFFAOYSA-N 0 3 252.318 1.970 20 5 CDBDHN CNc1ccc(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000022753268 171397075 /nfs/dbraw/zinc/39/70/75/171397075.db2.gz GWSAYQSDAJHLBV-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN CCC[C@](C)(N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676290 174373853 /nfs/dbraw/zinc/37/38/53/174373853.db2.gz XLWNSIQTJZCANV-AWEZNQCLSA-N 0 3 279.340 1.771 20 5 CDBDHN COC[C@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071267740 176100860 /nfs/dbraw/zinc/10/08/60/176100860.db2.gz UZLOXMADMZSPPG-CMPLNLGQSA-N 0 3 268.313 1.561 20 5 CDBDHN COC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071268697 176102128 /nfs/dbraw/zinc/10/21/28/176102128.db2.gz AQPCFTVDEYHOHU-JOYOIKCWSA-N 0 3 254.286 1.253 20 5 CDBDHN CC(C)[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000487950354 270398396 /nfs/dbraw/zinc/39/83/96/270398396.db2.gz GRVJTRDUUKAYRW-NSHDSACASA-N 0 3 281.360 1.100 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(N2CCN(CC3CC3)CC2)c1 ZINC000192781250 274964813 /nfs/dbraw/zinc/96/48/13/274964813.db2.gz SLCZEDSSGJPGCN-UHFFFAOYSA-N 0 3 276.340 1.709 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000194738101 280052593 /nfs/dbraw/zinc/05/25/93/280052593.db2.gz JVNMEVYMISSKLP-LLVKDONJSA-N 0 3 293.323 1.184 20 5 CDBDHN COc1ccc(CN(C[C@H](C)O)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000248953373 280397455 /nfs/dbraw/zinc/39/74/55/280397455.db2.gz PXINUFKIZOIJMZ-MNOVXSKESA-N 0 3 298.339 1.167 20 5 CDBDHN CN(C)C/C=C\C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000491843634 282022272 /nfs/dbraw/zinc/02/22/72/282022272.db2.gz GWWJTRFHODPOQU-ARJAWSKDSA-N 0 3 277.324 1.371 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000554137313 290146747 /nfs/dbraw/zinc/14/67/47/290146747.db2.gz YHCCZQIPGNPCRR-QMMMGPOBSA-N 0 3 295.295 1.003 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@@H](C)C1 ZINC000570664790 294284249 /nfs/dbraw/zinc/28/42/49/294284249.db2.gz OWAWUDJTIKZBJN-LLVKDONJSA-N 0 3 291.351 1.975 20 5 CDBDHN Nc1ccc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000377120474 295353823 /nfs/dbraw/zinc/35/38/23/295353823.db2.gz OOEPSOSMBPQGAI-GFCCVEGCSA-N 0 3 276.340 1.852 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(Cc3ccco3)CC2)C1 ZINC001169029702 1161997690 /nfs/dbraw/zinc/99/76/90/1161997690.db2.gz VGSHSDMUYAWCIX-UONOGXRCSA-N 0 3 293.367 1.843 20 5 CDBDHN CC(C)(C)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109330125 518928320 /nfs/dbraw/zinc/92/83/20/518928320.db2.gz DEHIWAIZNQZOKZ-LBPRGKRZSA-N 0 3 295.339 1.463 20 5 CDBDHN CCN(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000071969738 521120083 /nfs/dbraw/zinc/12/00/83/521120083.db2.gz IZBWQDHVGBYEKC-UHFFFAOYSA-N 0 3 254.286 1.288 20 5 CDBDHN COc1ccc(CN[C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000049076296 524074472 /nfs/dbraw/zinc/07/44/72/524074472.db2.gz ZLPWAWVMSILRJD-NSHDSACASA-N 0 3 290.323 1.978 20 5 CDBDHN Cc1ccc([C@@H](C)N[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000111018288 525749862 /nfs/dbraw/zinc/74/98/62/525749862.db2.gz HDNWORNYPLTISM-PWSUYJOCSA-N 0 3 277.324 1.832 20 5 CDBDHN Cc1ccc([C@H](C)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000020091489 525920683 /nfs/dbraw/zinc/92/06/83/525920683.db2.gz RVXPWNGXJVJGMQ-ZDUSSCGKSA-N 0 3 293.367 1.886 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236971741 535654053 /nfs/dbraw/zinc/65/40/53/535654053.db2.gz CLNLDRTZQCUDJF-ZWNOBZJWSA-N 0 3 294.355 1.496 20 5 CDBDHN CN(C)CCN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269366159 535854820 /nfs/dbraw/zinc/85/48/20/535854820.db2.gz KPNAQJQYUVNTMX-UHFFFAOYSA-N 0 3 258.709 1.641 20 5 CDBDHN COc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262842797 536725997 /nfs/dbraw/zinc/72/59/97/536725997.db2.gz XPABOMLDOZRYQJ-NXEZZACHSA-N 0 3 293.323 1.426 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000744799749 574450751 /nfs/dbraw/zinc/45/07/51/574450751.db2.gz QIMUUHLAKIHBJQ-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN Cc1cc(COC(=O)C2CCN(C)C2=O)ccc1[N+](=O)[O-] ZINC000774299238 575196903 /nfs/dbraw/zinc/19/69/03/575196903.db2.gz VOPLDVRSELXJGC-LLVKDONJSA-N 0 3 292.291 1.425 20 5 CDBDHN CCN(CC)CCOC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000772041954 575653246 /nfs/dbraw/zinc/65/32/46/575653246.db2.gz NPZUHJTYWQMPRO-UHFFFAOYSA-N 0 3 295.339 1.892 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCN(C)C1)CC2 ZINC000773990264 575847187 /nfs/dbraw/zinc/84/71/87/575847187.db2.gz ALNZEALGZCMAAS-GFCCVEGCSA-N 0 3 289.335 1.744 20 5 CDBDHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000766184448 576084296 /nfs/dbraw/zinc/08/42/96/576084296.db2.gz PIPQNKCOZMHWRC-YGRLFVJLSA-N 0 3 290.323 1.713 20 5 CDBDHN C[C@@H]1C[C@H](O)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104820 576548985 /nfs/dbraw/zinc/54/89/85/576548985.db2.gz IFVVLRBACUTQTN-JIMOISOXSA-N 0 3 266.297 1.083 20 5 CDBDHN CCN1CCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000891458751 617419233 /nfs/dbraw/zinc/41/92/33/617419233.db2.gz DNJVVUIWDKLTHI-VIFPVBQESA-N 0 3 253.306 1.225 20 5 CDBDHN CN1CCC(Nc2ccc3nonc3c2[N+](=O)[O-])CC1 ZINC000891573144 617484028 /nfs/dbraw/zinc/48/40/28/617484028.db2.gz MAGRUNVYDWECQX-UHFFFAOYSA-N 0 3 277.284 1.637 20 5 CDBDHN Cn1c(C(=O)N[C@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892793507 617754379 /nfs/dbraw/zinc/75/43/79/617754379.db2.gz NLMIZZMLZOBLQT-CQSZACIVSA-N 0 3 292.339 1.147 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]1CO ZINC000934021903 617860812 /nfs/dbraw/zinc/86/08/12/617860812.db2.gz SCOITXDOBRBDED-LBPRGKRZSA-N 0 3 293.323 1.298 20 5 CDBDHN O=[N+]([O-])CCNC[C@@H](c1ccco1)N1CCCC1 ZINC000899859480 622486924 /nfs/dbraw/zinc/48/69/24/622486924.db2.gz KRSGDKIREUGSRN-NSHDSACASA-N 0 3 253.302 1.283 20 5 CDBDHN C[C@H](N[C@H]1COC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905864794 627008035 /nfs/dbraw/zinc/00/80/35/627008035.db2.gz GGSIDADHJIZQTG-KWBADKCTSA-N 0 3 293.323 1.546 20 5 CDBDHN CC[C@H](CO)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000915875573 631848992 /nfs/dbraw/zinc/84/89/92/631848992.db2.gz RZXKXRVUEVHWGV-NXEZZACHSA-N 0 3 281.312 1.282 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001170569476 1162948586 /nfs/dbraw/zinc/94/85/86/1162948586.db2.gz SIKMFRSVZIAACH-ONGXEEELSA-N 0 3 266.301 1.087 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)CC(F)(F)F ZINC000307937028 1160232784 /nfs/dbraw/zinc/23/27/84/1160232784.db2.gz HIRGVWHBPUAYQV-SECBINFHSA-N 0 3 278.230 1.998 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001580122546 1172354490 /nfs/dbraw/zinc/35/44/90/1172354490.db2.gz WCHJOSNZBYJZMJ-NSHDSACASA-N 0 3 292.339 1.250 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(CF)CC1 ZINC001133631767 1163823058 /nfs/dbraw/zinc/82/30/58/1163823058.db2.gz FJFAQIOOVPRXMR-UHFFFAOYSA-N 0 3 295.314 1.550 20 5 CDBDHN CC[C@@H](CO)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000857329526 754148312 /nfs/dbraw/zinc/14/83/12/754148312.db2.gz LWPPUGLEQLJXAL-QWRGUYRKSA-N 0 3 295.339 1.591 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000776598400 754219170 /nfs/dbraw/zinc/21/91/70/754219170.db2.gz MXVWSTMKXFCWFH-JMSVASOKSA-N 0 3 293.367 1.653 20 5 CDBDHN C[C@@]12CCN(CC[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000930366154 754445102 /nfs/dbraw/zinc/44/51/02/754445102.db2.gz FEYWVEPFEJRPGB-JGVFFNPUSA-N 0 3 253.129 1.779 20 5 CDBDHN CC(COC(=O)c1cnc(-c2ccccc2)nc1)[N+](=O)[O-] ZINC000813104512 754478036 /nfs/dbraw/zinc/47/80/36/754478036.db2.gz NMSSBBHFZYHNBO-SNVBAGLBSA-N 0 3 287.275 1.966 20 5 CDBDHN CC(COC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)[N+](=O)[O-] ZINC000813103221 754612641 /nfs/dbraw/zinc/61/26/41/754612641.db2.gz AZCSELLXVNQXFA-YMTOWFKASA-N 0 3 293.275 1.367 20 5 CDBDHN O=[N+]([O-])c1ncccc1CNC1(CO)CCCC1 ZINC000886076845 754671351 /nfs/dbraw/zinc/67/13/51/754671351.db2.gz SRYZNXVJGXGEKD-UHFFFAOYSA-N 0 3 251.286 1.385 20 5 CDBDHN Cn1cc(CNCC2(C3(O)CCC3)CCC2)c([N+](=O)[O-])n1 ZINC000886982514 754711159 /nfs/dbraw/zinc/71/11/59/754711159.db2.gz RMKSUFGEAUJSFI-UHFFFAOYSA-N 0 3 294.355 1.503 20 5 CDBDHN CC(C)(CCC(=O)N1CCN(C2CCCC2)CC1)[N+](=O)[O-] ZINC000822406879 755099110 /nfs/dbraw/zinc/09/91/10/755099110.db2.gz RLIVXAZMGPGTQP-UHFFFAOYSA-N 0 3 297.399 1.909 20 5 CDBDHN CC(COC(=O)C[C@@H](n1cccn1)C(F)(F)F)[N+](=O)[O-] ZINC000851036622 755556330 /nfs/dbraw/zinc/55/63/30/755556330.db2.gz KYKGMAFKIVTLMV-JGVFFNPUSA-N 0 3 295.217 1.585 20 5 CDBDHN COc1cc(CN[C@H]2C[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000923008262 755646364 /nfs/dbraw/zinc/64/63/64/755646364.db2.gz RLHFPXBIKFSFLN-HOMQSWHASA-N 0 3 296.323 1.473 20 5 CDBDHN CC(COC(=O)C[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813101734 756356919 /nfs/dbraw/zinc/35/69/19/756356919.db2.gz ICVQSDIVBVFCHY-DTWKUNHWSA-N 0 3 290.316 1.498 20 5 CDBDHN CN(CCO)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000884824433 756435852 /nfs/dbraw/zinc/43/58/52/756435852.db2.gz ZLFCCULNNJCNFA-UHFFFAOYSA-N 0 3 257.265 1.070 20 5 CDBDHN CC(C)(C)OC(=O)NC[C@H](NCC[N+](=O)[O-])C(C)(C)C ZINC000930314687 756551717 /nfs/dbraw/zinc/55/17/17/756551717.db2.gz GTBHWNCFXNYLDP-JTQLQIEISA-N 0 3 289.376 1.792 20 5 CDBDHN CC(COC(=O)c1cccc(-n2cccn2)n1)[N+](=O)[O-] ZINC000813102529 758492304 /nfs/dbraw/zinc/49/23/04/758492304.db2.gz HRWHZFLNECLSME-SECBINFHSA-N 0 3 276.252 1.089 20 5 CDBDHN CC[C@H](CO)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000931771491 758543863 /nfs/dbraw/zinc/54/38/63/758543863.db2.gz KVPKXQYNMCOMOG-MFKMUULPSA-N 0 3 293.323 1.061 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1COC(=O)C1 ZINC001173234322 912329019 /nfs/dbraw/zinc/32/90/19/912329019.db2.gz OEKWWJAELCPSEC-ONGXEEELSA-N 0 3 264.281 1.431 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ncc(F)cc2F)C1 ZINC001168977486 927564257 /nfs/dbraw/zinc/56/42/57/927564257.db2.gz KFTFTTXLUKKOHE-PSASIEDQSA-N 0 3 271.267 1.895 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3ncccc3C2)C1 ZINC001169034531 927642599 /nfs/dbraw/zinc/64/25/99/927642599.db2.gz HKBXNNWRIFSLDO-WCQYABFASA-N 0 3 261.325 1.885 20 5 CDBDHN N=c1sc2c(n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCNC2 ZINC001169035942 927645210 /nfs/dbraw/zinc/64/52/10/927645210.db2.gz MGNCBJWUCFQXON-RKDXNWHRSA-N 0 3 282.369 1.293 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787101456 929314049 /nfs/dbraw/zinc/31/40/49/929314049.db2.gz IHSGXMUWCIWLBC-SNVBAGLBSA-N 0 3 292.339 1.249 20 5 CDBDHN C[C@@H](N)c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1N ZINC001155259071 937654431 /nfs/dbraw/zinc/65/44/31/937654431.db2.gz VLFXCIJPRRWZLM-MRVPVSSYSA-N 0 3 298.306 1.931 20 5 CDBDHN NCc1ccc2c(n1)N(c1cc([N+](=O)[O-])ccn1)CCC2 ZINC001158647296 938645448 /nfs/dbraw/zinc/64/54/48/938645448.db2.gz MJLHTGGEKYGGLO-UHFFFAOYSA-N 0 3 285.307 1.928 20 5 CDBDHN O=[N+]([O-])c1cccc2ncnc(N3CCNC4(CC4)C3)c21 ZINC001158943638 938680805 /nfs/dbraw/zinc/68/08/05/938680805.db2.gz ATYATOQAPIOBGD-UHFFFAOYSA-N 0 3 285.307 1.480 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1Nc1ccc(CN)nc1 ZINC001160396522 938784116 /nfs/dbraw/zinc/78/41/16/938784116.db2.gz KOYYFIXPCMRYTF-UHFFFAOYSA-N 0 3 259.269 1.896 20 5 CDBDHN Cc1cnc(NCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001161708756 938924230 /nfs/dbraw/zinc/92/42/30/938924230.db2.gz VEYCSWWBXXAEBL-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN Cc1cc([N+](=O)[O-])cc(-n2cnc(CN)c2)c1F ZINC001162304715 938976208 /nfs/dbraw/zinc/97/62/08/938976208.db2.gz RAVKDBICARVSQQ-UHFFFAOYSA-N 0 3 250.233 1.687 20 5 CDBDHN Cc1cc(CN)nn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001163979600 939368762 /nfs/dbraw/zinc/36/87/62/939368762.db2.gz FMEIWAYPTSZTMA-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000400866152 940859417 /nfs/dbraw/zinc/85/94/17/940859417.db2.gz FKFYLRQIULFRAO-JQWIXIFHSA-N 0 3 279.340 1.975 20 5 CDBDHN CN1CC[C@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227236920 942155562 /nfs/dbraw/zinc/15/55/62/942155562.db2.gz BVBUAJWJNCPOPL-QMMMGPOBSA-N 0 3 263.253 1.819 20 5 CDBDHN CN(CCCNC(=O)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001231064666 942772929 /nfs/dbraw/zinc/77/29/29/942772929.db2.gz LHDBNPZMHIYKCT-UHFFFAOYSA-N 0 3 291.351 1.943 20 5 CDBDHN CCc1ccc(C(=O)NOCCN(C)C)cc1[N+](=O)[O-] ZINC001261740698 946256791 /nfs/dbraw/zinc/25/67/91/946256791.db2.gz LKMZECDKZWBBMB-UHFFFAOYSA-N 0 3 281.312 1.380 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1COC(=O)C1 ZINC001254539725 947517596 /nfs/dbraw/zinc/51/75/96/947517596.db2.gz KEGRZBGURTXOAL-GXSJLCMTSA-N 0 3 264.281 1.431 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](F)[C@@H](N)C1 ZINC001246529746 948233437 /nfs/dbraw/zinc/23/34/37/948233437.db2.gz LPNSBQBPLKRJEF-JLLWLGSASA-N 0 3 267.304 1.507 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)OCC[C@H]1C ZINC001308167359 956483272 /nfs/dbraw/zinc/48/32/72/956483272.db2.gz UMANLKBTQUBMQR-GHMZBOCLSA-N 0 3 282.344 1.599 20 5 CDBDHN CN(C)C1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001335464760 959822702 /nfs/dbraw/zinc/82/27/02/959822702.db2.gz GNKXHHCDBMWBQY-UHFFFAOYSA-N 0 3 266.257 1.253 20 5 CDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CN2CCC1CC2 ZINC001336175819 960236059 /nfs/dbraw/zinc/23/60/59/960236059.db2.gz SLEUQELDMSMSDZ-CQSZACIVSA-N 0 3 289.335 1.348 20 5 CDBDHN Nc1cc(N[C@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC001336495699 960368055 /nfs/dbraw/zinc/36/80/55/960368055.db2.gz RPRMIJGVSMTIDE-QMMMGPOBSA-N 0 3 263.301 1.221 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1NCCN1CCC[C@H](C)C1 ZINC001338681276 961947372 /nfs/dbraw/zinc/94/73/72/961947372.db2.gz MQKWXSCDYVAPDE-NSHDSACASA-N 0 3 278.356 1.864 20 5 CDBDHN CC[C@H](C)N1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339668660 962478705 /nfs/dbraw/zinc/47/87/05/962478705.db2.gz PSTIVXXJVYRWPU-WDEREUQCSA-N 0 3 296.375 1.073 20 5 CDBDHN C[C@@H](NC(=O)[C@H](N)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001340990385 963225350 /nfs/dbraw/zinc/22/53/50/963225350.db2.gz KFTDVWGEBJCZMZ-NOZJJQNGSA-N 0 3 277.324 1.899 20 5 CDBDHN N[C@H](CC(F)F)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345781146 964814199 /nfs/dbraw/zinc/81/41/99/964814199.db2.gz OAZCNWYJQAPSIK-SNVBAGLBSA-N 0 3 285.250 1.420 20 5 CDBDHN CN(C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000082586770 178123361 /nfs/dbraw/zinc/12/33/61/178123361.db2.gz SQEIEWTZHGDEBI-UHFFFAOYSA-N 0 3 289.133 1.726 20 5 CDBDHN CC(C)O[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593055897 342760044 /nfs/dbraw/zinc/76/00/44/342760044.db2.gz TVAAEXVIFCUHBZ-LBPRGKRZSA-N 0 3 282.344 1.681 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCC[C@]1(O)CCCOC1 ZINC000593690948 342823451 /nfs/dbraw/zinc/82/34/51/342823451.db2.gz BPZSZFGWIBZBHD-CQSZACIVSA-N 0 3 280.324 1.616 20 5 CDBDHN COC[C@]1(CO)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451934544 362049080 /nfs/dbraw/zinc/04/90/80/362049080.db2.gz VGYXNVPEFANPQV-OAHLLOKOSA-N 0 3 294.351 1.468 20 5 CDBDHN COCCN1CCC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596116611 343231948 /nfs/dbraw/zinc/23/19/48/343231948.db2.gz ODDSKBZSZSSRGW-JTQLQIEISA-N 0 3 296.327 1.218 20 5 CDBDHN CCC[N@H+](C)C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596143857 343242425 /nfs/dbraw/zinc/24/24/25/343242425.db2.gz WKFGQCZQQJRZOS-LLVKDONJSA-N 0 3 294.355 1.864 20 5 CDBDHN CCC[N@@H+](C)C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596143857 343242426 /nfs/dbraw/zinc/24/24/26/343242426.db2.gz WKFGQCZQQJRZOS-LLVKDONJSA-N 0 3 294.355 1.864 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)CN1C1CC1 ZINC000596155350 343247216 /nfs/dbraw/zinc/24/72/16/343247216.db2.gz IHFPSBBAEXXSQH-RKDXNWHRSA-N 0 3 277.328 1.031 20 5 CDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000597926099 343664175 /nfs/dbraw/zinc/66/41/75/343664175.db2.gz VBYAFHQFXYRQCE-VIFPVBQESA-N 0 3 280.328 1.526 20 5 CDBDHN COC[C@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000382576259 362250356 /nfs/dbraw/zinc/25/03/56/362250356.db2.gz UFLINIYRMUHXBE-SMDDNHRTSA-N 0 3 282.340 1.951 20 5 CDBDHN COC(=O)c1ccnc(NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000598594162 343839760 /nfs/dbraw/zinc/83/97/60/343839760.db2.gz ZRKQDTPXXBGJQL-SECBINFHSA-N 0 3 294.311 1.140 20 5 CDBDHN CCN[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000600003372 344163613 /nfs/dbraw/zinc/16/36/13/344163613.db2.gz VRXSGPAYCUIKNT-VIFPVBQESA-N 0 3 251.286 1.840 20 5 CDBDHN CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCN(C)CC1 ZINC000599986702 344160195 /nfs/dbraw/zinc/16/01/95/344160195.db2.gz YAHUKENOYNMXBZ-UHFFFAOYSA-N 0 3 280.328 1.479 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CCCC[C@@H]1O ZINC000602800995 344590553 /nfs/dbraw/zinc/59/05/53/344590553.db2.gz KJAXIYNYSFHNLB-STQMWFEESA-N 0 3 296.371 1.583 20 5 CDBDHN COc1ccc(CNC(=O)/C=C/CN(C)C)cc1[N+](=O)[O-] ZINC000265623524 362467823 /nfs/dbraw/zinc/46/78/23/362467823.db2.gz IAMXQPWPUIZXIM-SNAWJCMRSA-N 0 3 293.323 1.337 20 5 CDBDHN CC[C@H](O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000127404151 187303837 /nfs/dbraw/zinc/30/38/37/187303837.db2.gz GUQDCVXQUFZAFR-NSHDSACASA-N 0 3 268.313 1.854 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])C(C)(C)CO ZINC000609894917 346037295 /nfs/dbraw/zinc/03/72/95/346037295.db2.gz NFUYMOLCHNXWFR-UHFFFAOYSA-N 0 3 268.313 1.676 20 5 CDBDHN COc1ccc(OCCN(C)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000610369713 346265019 /nfs/dbraw/zinc/26/50/19/346265019.db2.gz BOWPIKACXHIWLG-UHFFFAOYSA-N 0 3 298.339 1.685 20 5 CDBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000025149371 348620137 /nfs/dbraw/zinc/62/01/37/348620137.db2.gz YJBXZNIMGYRAAL-SNVBAGLBSA-N 0 3 265.313 1.204 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000068341416 349062093 /nfs/dbraw/zinc/06/20/93/349062093.db2.gz QVUQGKZIRFYMDR-ZDUSSCGKSA-N 0 3 277.324 1.761 20 5 CDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000136993516 362938588 /nfs/dbraw/zinc/93/85/88/362938588.db2.gz DIVCHXREBGMUTO-SNVBAGLBSA-N 0 3 293.327 1.018 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000111135595 186357442 /nfs/dbraw/zinc/35/74/42/186357442.db2.gz GGBIUOOLSMBLJF-UHFFFAOYSA-N 0 3 285.731 1.882 20 5 CDBDHN CNC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292065869 198151213 /nfs/dbraw/zinc/15/12/13/198151213.db2.gz DAKNQHJZJZQIJG-UHFFFAOYSA-N 0 3 265.313 1.556 20 5 CDBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000155104638 188183471 /nfs/dbraw/zinc/18/34/71/188183471.db2.gz FYHPNXLQCQPYRD-QWRGUYRKSA-N 0 3 293.323 1.548 20 5 CDBDHN CN(CCO)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000157725213 188335951 /nfs/dbraw/zinc/33/59/51/188335951.db2.gz UUXBRCHUZQNKLI-UHFFFAOYSA-N 0 3 290.323 1.419 20 5 CDBDHN CCNC(=O)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000292744195 198396077 /nfs/dbraw/zinc/39/60/77/198396077.db2.gz APMHMJNXEYZLFS-AWEZNQCLSA-N 0 3 293.367 1.888 20 5 CDBDHN CN(CCCN1CCN(C)CC1)c1cccnc1[N+](=O)[O-] ZINC000609512629 356389973 /nfs/dbraw/zinc/38/99/73/356389973.db2.gz PZTHJMILMPKUJD-UHFFFAOYSA-N 0 3 293.371 1.064 20 5 CDBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161544739 363583287 /nfs/dbraw/zinc/58/32/87/363583287.db2.gz NHYBYQICPAWORE-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN CCOCCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000093312738 358599080 /nfs/dbraw/zinc/59/90/80/358599080.db2.gz ZTPAURLQMCTBEG-UHFFFAOYSA-N 0 3 295.339 1.892 20 5 CDBDHN O=C(NCCN1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000072790068 358683041 /nfs/dbraw/zinc/68/30/41/358683041.db2.gz ZVVCAFRQJOMPHO-UHFFFAOYSA-N 0 3 278.312 1.812 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H](O)C1CC1 ZINC000341173095 366520752 /nfs/dbraw/zinc/52/07/52/366520752.db2.gz ZOQDGRWYCDOWGY-MFBWXBCUSA-N 0 3 262.309 1.969 20 5 CDBDHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N(C)C ZINC000134222052 358961607 /nfs/dbraw/zinc/96/16/07/358961607.db2.gz KMVNUHWFAUWOCK-SECBINFHSA-N 0 3 292.339 1.842 20 5 CDBDHN COCC[C@H](NCc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000338349316 359121327 /nfs/dbraw/zinc/12/13/27/359121327.db2.gz BWSFNOSQOKRHTM-NSHDSACASA-N 0 3 284.360 1.869 20 5 CDBDHN CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054148178 359540037 /nfs/dbraw/zinc/54/00/37/359540037.db2.gz UKUMSJRCAHIOKR-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN Cc1nc(NC[C@@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000297316286 200145478 /nfs/dbraw/zinc/14/54/78/200145478.db2.gz ZJPGKMDEOCQAJT-VIFPVBQESA-N 0 3 251.290 1.057 20 5 CDBDHN CC1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177297856 189042507 /nfs/dbraw/zinc/04/25/07/189042507.db2.gz QLUADYOWZPQXHQ-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN CS[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270375184 360458405 /nfs/dbraw/zinc/45/84/05/360458405.db2.gz NVVQYJXICAPWPL-NWDGAFQWSA-N 0 3 296.396 1.780 20 5 CDBDHN C[C@@]1(O)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178022056 189086196 /nfs/dbraw/zinc/08/61/96/189086196.db2.gz WCSHIARCNDYWKD-CQSZACIVSA-N 0 3 293.323 1.380 20 5 CDBDHN CC(C)(C)[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000178869230 189151564 /nfs/dbraw/zinc/15/15/64/189151564.db2.gz GARGQAGSIITDBI-RYUDHWBXSA-N 0 3 295.339 1.118 20 5 CDBDHN Cc1nc(N(C)CCN2CCCC2)ccc1[N+](=O)[O-] ZINC000301648271 201114659 /nfs/dbraw/zinc/11/46/59/201114659.db2.gz OTTDPHLKEPJOAT-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN C[C@@H](C[S@@](C)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000168164998 363967953 /nfs/dbraw/zinc/96/79/53/363967953.db2.gz RXROQIZOFQKTBH-XYZCENFISA-N 0 3 256.327 1.451 20 5 CDBDHN Cc1nc(N[C@H]2CCN(C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527514 364140538 /nfs/dbraw/zinc/14/05/38/364140538.db2.gz BWMBEOOBFXOPNO-SCZZXKLOSA-N 0 3 265.317 1.588 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000103116429 364599289 /nfs/dbraw/zinc/59/92/89/364599289.db2.gz QBCSOZSPFODKQV-UHFFFAOYSA-N 0 3 295.314 1.902 20 5 CDBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000271954147 367042060 /nfs/dbraw/zinc/04/20/60/367042060.db2.gz YECNAFPRJUTNTI-UHFFFAOYSA-N 0 3 265.269 1.180 20 5 CDBDHN Cc1n[nH]c(C(=O)N[C@@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000272748104 367815359 /nfs/dbraw/zinc/81/53/59/367815359.db2.gz DOTSMQLMEMRBRZ-QMMMGPOBSA-N 0 3 293.327 1.007 20 5 CDBDHN C[C@H](NC1CC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295612786 370522632 /nfs/dbraw/zinc/52/26/32/370522632.db2.gz GLOWPDGYXNSLEX-ZETCQYMHSA-N 0 3 289.295 1.550 20 5 CDBDHN C[C@@H]1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000026579415 373093670 /nfs/dbraw/zinc/09/36/70/373093670.db2.gz FKUBYYORONCDIQ-SNVBAGLBSA-N 0 3 272.308 1.941 20 5 CDBDHN C[C@@H](CN(C)C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000168942299 373842332 /nfs/dbraw/zinc/84/23/32/373842332.db2.gz IHTASLDXKBSOAY-ZETCQYMHSA-N 0 3 269.330 1.666 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000081524343 374513567 /nfs/dbraw/zinc/51/35/67/374513567.db2.gz NJBJMSUIDZQEGT-JTQLQIEISA-N 0 3 265.313 1.409 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN[C@@H]2Cc3cccc(O)c3C2)c1 ZINC000429241319 374575494 /nfs/dbraw/zinc/57/54/94/374575494.db2.gz ZJBHXAXCNCURKS-LLVKDONJSA-N 0 3 288.307 1.254 20 5 CDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1N(C)C ZINC000332665151 375040804 /nfs/dbraw/zinc/04/08/04/375040804.db2.gz PPPBGFPXTZUZCG-GHMZBOCLSA-N 0 3 298.368 1.041 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCNCC1 ZINC000237810569 375403272 /nfs/dbraw/zinc/40/32/72/375403272.db2.gz RLCMDEUYTSSKDR-UHFFFAOYSA-N 0 3 283.715 1.684 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493450405 375454441 /nfs/dbraw/zinc/45/44/41/375454441.db2.gz LGGXBQDDOSEDCP-FBOQAHMBSA-N 0 3 277.324 1.674 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])n2C)CCC1 ZINC000353342077 375598374 /nfs/dbraw/zinc/59/83/74/375598374.db2.gz GSCIMLOSDMSEST-UHFFFAOYSA-N 0 3 280.328 1.147 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353439576 375609679 /nfs/dbraw/zinc/60/96/79/375609679.db2.gz MMELXXIVHDALNL-ZANVPECISA-N 0 3 295.339 1.593 20 5 CDBDHN C[C@@H]1OCC[C@@]1(O)CNCc1csc([N+](=O)[O-])c1 ZINC000227966884 375657912 /nfs/dbraw/zinc/65/79/12/375657912.db2.gz DYAVWEKQJKAHCV-GZMMTYOYSA-N 0 3 272.326 1.286 20 5 CDBDHN CN1CCC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000356278703 375831594 /nfs/dbraw/zinc/83/15/94/375831594.db2.gz JRULTIDTFOBFBF-AWEZNQCLSA-N 0 3 292.339 1.481 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000357407156 375904524 /nfs/dbraw/zinc/90/45/24/375904524.db2.gz DYAPPCJGXUHVGK-SKDRFNHKSA-N 0 3 295.314 1.946 20 5 CDBDHN CN(C)CCN(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000347459732 376164927 /nfs/dbraw/zinc/16/49/27/376164927.db2.gz GGMCCMORLMYMHQ-UHFFFAOYSA-N 0 3 275.312 1.536 20 5 CDBDHN CCN1CC[C@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000354354677 376330801 /nfs/dbraw/zinc/33/08/01/376330801.db2.gz VJCWINZSZZDHMN-QWRGUYRKSA-N 0 3 281.360 1.637 20 5 CDBDHN Cc1nc(NCCN2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000296535088 376364119 /nfs/dbraw/zinc/36/41/19/376364119.db2.gz NNNUPYAUBBEJBN-UHFFFAOYSA-N 0 3 279.344 1.837 20 5 CDBDHN CN(C)C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000267070476 376799105 /nfs/dbraw/zinc/79/91/05/376799105.db2.gz VTPHGSZYSFQVSN-CYBMUJFWSA-N 0 3 297.330 1.496 20 5 CDBDHN NC(=O)C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000175228592 379668238 /nfs/dbraw/zinc/66/82/38/379668238.db2.gz OKTGFDWPQBVSPP-NSHDSACASA-N 0 3 277.324 1.682 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491863467 253106813 /nfs/dbraw/zinc/10/68/13/253106813.db2.gz CJGZBZJBSVTGHS-WBTMPAOCSA-N 0 3 289.335 1.818 20 5 CDBDHN Cc1cc(NCC2(N(C)C)CC2)ncc1[N+](=O)[O-] ZINC000397976132 391638111 /nfs/dbraw/zinc/63/81/11/391638111.db2.gz OYQSPIVAKAFDHQ-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN Cc1ccc(NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000358351341 391592169 /nfs/dbraw/zinc/59/21/69/391592169.db2.gz LXKIVCQVVUVOCA-ZDUSSCGKSA-N 0 3 265.313 1.382 20 5 CDBDHN CC(COC(=O)CN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496945759 391929978 /nfs/dbraw/zinc/92/99/78/391929978.db2.gz BKRRICMANJLMNC-MRVPVSSYSA-N 0 3 276.289 1.062 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262809854 131263568 /nfs/dbraw/zinc/26/35/68/131263568.db2.gz QYNHUCJXYWEYEK-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000549186052 392543651 /nfs/dbraw/zinc/54/36/51/392543651.db2.gz WWMJURWAPRMXEZ-JTQLQIEISA-N 0 3 293.327 1.018 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000421700274 392942724 /nfs/dbraw/zinc/94/27/24/392942724.db2.gz DNPWFQMHQVZBIB-CYBMUJFWSA-N 0 3 291.351 1.690 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000421701431 392943027 /nfs/dbraw/zinc/94/30/27/392943027.db2.gz HOMRAKPQOPPGCB-JTQLQIEISA-N 0 3 283.353 1.823 20 5 CDBDHN CC[C@@]1(O)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000425913396 393031583 /nfs/dbraw/zinc/03/15/83/393031583.db2.gz GHWVQVHQAWFBAX-CYBMUJFWSA-N 0 3 250.298 1.942 20 5 CDBDHN Cc1c(CNC(=O)[C@H]2CCCCN2)cccc1[N+](=O)[O-] ZINC000231856415 140219974 /nfs/dbraw/zinc/21/99/74/140219974.db2.gz SUSKRRUXCDWNDK-GFCCVEGCSA-N 0 3 277.324 1.662 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237640346 140256900 /nfs/dbraw/zinc/25/69/00/140256900.db2.gz XILPLYGVSAZDQG-IUCAKERBSA-N 0 3 278.312 1.121 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)CC[C@@H]1C ZINC000360903020 397901321 /nfs/dbraw/zinc/90/13/21/397901321.db2.gz AUECSSFOEVOHMK-JTQLQIEISA-N 0 3 281.360 1.650 20 5 CDBDHN CO[C@H](C)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182339085 148255556 /nfs/dbraw/zinc/25/55/56/148255556.db2.gz LACBIKVMHQCCDF-MNOVXSKESA-N 0 3 280.328 1.511 20 5 CDBDHN CNC(=O)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000322660528 149262616 /nfs/dbraw/zinc/26/26/16/149262616.db2.gz CQAAHXJMMOSUMH-SECBINFHSA-N 0 3 265.313 1.517 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)C1CCOCC1 ZINC000350392103 154372963 /nfs/dbraw/zinc/37/29/63/154372963.db2.gz NQGLTXZMVNTOGZ-HNNXBMFYSA-N 0 3 294.351 1.780 20 5 CDBDHN COc1ccc(CNC[C@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000353702655 156024281 /nfs/dbraw/zinc/02/42/81/156024281.db2.gz JYTBYIAQYDHDBA-VXGBXAGGSA-N 0 3 296.323 1.233 20 5 CDBDHN NC(=O)c1ccc(CN2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000374303201 160272173 /nfs/dbraw/zinc/27/21/73/160272173.db2.gz SNUTXBXMPLCPIH-GFCCVEGCSA-N 0 3 289.335 1.926 20 5 CDBDHN C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000525748643 262094640 /nfs/dbraw/zinc/09/46/40/262094640.db2.gz UFKJBTAUDKMUTD-LBPRGKRZSA-N 0 3 291.351 1.738 20 5 CDBDHN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000357830683 274254994 /nfs/dbraw/zinc/25/49/94/274254994.db2.gz FGEHLWWQUFOUJH-NWDGAFQWSA-N 0 3 293.367 1.982 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CC=CC3)C2)nc1 ZINC000266226410 275036807 /nfs/dbraw/zinc/03/68/07/275036807.db2.gz IMYFHYWYHKXMBQ-GFCCVEGCSA-N 0 3 260.297 1.440 20 5 CDBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023821 277156596 /nfs/dbraw/zinc/15/65/96/277156596.db2.gz WGUUPYVNKDDWCL-CMPLNLGQSA-N 0 3 277.328 1.305 20 5 CDBDHN CN(C)C(=O)C(C)(C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000074286450 279217363 /nfs/dbraw/zinc/21/73/63/279217363.db2.gz HPQCXUOLJCZZHK-UHFFFAOYSA-N 0 3 279.340 1.594 20 5 CDBDHN CC(C)n1cc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000090539869 279278714 /nfs/dbraw/zinc/27/87/14/279278714.db2.gz BHCVZVDQCAZCLH-NSHDSACASA-N 0 3 292.343 1.920 20 5 CDBDHN C[C@H]1CC[C@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552251 279279314 /nfs/dbraw/zinc/27/93/14/279279314.db2.gz PEMANKMWDIZWRS-QWRGUYRKSA-N 0 3 265.313 1.629 20 5 CDBDHN CC(C)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])OCCO ZINC000571061179 294363349 /nfs/dbraw/zinc/36/33/49/294363349.db2.gz SYSUHKKIPHXGOK-ZDUSSCGKSA-N 0 3 294.351 1.959 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000575746002 317006710 /nfs/dbraw/zinc/00/67/10/317006710.db2.gz QTDGRVXVMMAGCH-VXGBXAGGSA-N 0 3 294.355 1.719 20 5 CDBDHN Cc1csc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000379279997 323598275 /nfs/dbraw/zinc/59/82/75/323598275.db2.gz QEOHACXVQGDMKK-LLVKDONJSA-N 0 3 296.352 1.312 20 5 CDBDHN Cc1cnn(C)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000394074242 323838223 /nfs/dbraw/zinc/83/82/23/323838223.db2.gz XKTLKJWWACYFFY-UHFFFAOYSA-N 0 3 290.323 1.805 20 5 CDBDHN CCOc1cc(NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000157404791 520761740 /nfs/dbraw/zinc/76/17/40/520761740.db2.gz GKQBFSOWKLPPTP-NSHDSACASA-N 0 3 281.312 1.394 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(C2CC2)C1 ZINC000336840747 523147231 /nfs/dbraw/zinc/14/72/31/523147231.db2.gz QPENLLRXQUCZPQ-SNVBAGLBSA-N 0 3 279.344 1.768 20 5 CDBDHN COCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000141433070 523816685 /nfs/dbraw/zinc/81/66/85/523816685.db2.gz HUCXNPUZWIDCAK-UHFFFAOYSA-N 0 3 297.311 1.028 20 5 CDBDHN COc1ccc(CNCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000078781528 524071122 /nfs/dbraw/zinc/07/11/22/524071122.db2.gz LIUBIPQGOGBXSS-VIFPVBQESA-N 0 3 254.286 1.464 20 5 CDBDHN CC(=O)c1cc(NC[C@@H]2CNCCN2C)ccc1[N+](=O)[O-] ZINC000420281951 534823412 /nfs/dbraw/zinc/82/34/12/534823412.db2.gz WEXIEKFNBOLBPS-LBPRGKRZSA-N 0 3 292.339 1.113 20 5 CDBDHN Cc1nn(C)c(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000049575271 527677993 /nfs/dbraw/zinc/67/79/93/527677993.db2.gz JWMOCICUJGWTAZ-UHFFFAOYSA-N 0 3 267.333 1.535 20 5 CDBDHN O=[N+]([O-])c1ccnn1CN1CC[C@H](N2CCCCC2)C1 ZINC000730804578 575011227 /nfs/dbraw/zinc/01/12/27/575011227.db2.gz JELDHSFRZIEVQE-LBPRGKRZSA-N 0 3 279.344 1.309 20 5 CDBDHN CCc1ccc(OC(=O)C2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000774100655 575181448 /nfs/dbraw/zinc/18/14/48/575181448.db2.gz QOFCJAZAUWYYMG-SNVBAGLBSA-N 0 3 292.291 1.541 20 5 CDBDHN C[C@H](OC(=O)C1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000772533369 575719683 /nfs/dbraw/zinc/71/96/83/575719683.db2.gz NDRQASJHBFXOCY-JOYOIKCWSA-N 0 3 292.291 1.677 20 5 CDBDHN Cn1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000763474461 576738751 /nfs/dbraw/zinc/73/87/51/576738751.db2.gz YOHNUQVNPMJYSE-CQSZACIVSA-N 0 3 275.308 1.757 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CCCO2)c1 ZINC000749650104 576956766 /nfs/dbraw/zinc/95/67/66/576956766.db2.gz ZKOUMEUCBWLZTE-STQMWFEESA-N 0 3 266.297 1.397 20 5 CDBDHN COc1c(O)ccc(CNC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000892679598 617585682 /nfs/dbraw/zinc/58/56/82/617585682.db2.gz RKVYIUSGKMGQIS-LLVKDONJSA-N 0 3 296.323 1.968 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000892792914 617752837 /nfs/dbraw/zinc/75/28/37/617752837.db2.gz LLUXKWBOBAUKOQ-AWEZNQCLSA-N 0 3 292.339 1.147 20 5 CDBDHN CC[C@@H](CN1CCOCC1)NCc1csc([N+](=O)[O-])c1 ZINC000922590412 618276038 /nfs/dbraw/zinc/27/60/38/618276038.db2.gz SEZSIEWLXMORTK-LBPRGKRZSA-N 0 3 299.396 1.857 20 5 CDBDHN Cc1ccc([C@@H](CNCC[N+](=O)[O-])N2CCOCC2)cc1 ZINC000899869788 622496305 /nfs/dbraw/zinc/49/63/05/622496305.db2.gz ACOLGXQQUVBSBE-OAHLLOKOSA-N 0 3 293.367 1.235 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccc(OCC(F)(F)F)nc1 ZINC000905218790 626697784 /nfs/dbraw/zinc/69/77/84/626697784.db2.gz JBNMCONWCIZEAB-UHFFFAOYSA-N 0 3 293.245 1.432 20 5 CDBDHN CC[C@H](CO)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000916570679 632016905 /nfs/dbraw/zinc/01/69/05/632016905.db2.gz MYINBULRJQIRJM-SNVBAGLBSA-N 0 3 281.312 1.202 20 5 CDBDHN COc1cc(C)c([N+](=O)[O-])cc1N[C@H](C)[C@H]1CNCCO1 ZINC001170567122 1162941746 /nfs/dbraw/zinc/94/17/46/1162941746.db2.gz JEOKLEZIMCSCAP-QMTHXVAHSA-N 0 3 295.339 1.701 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H]1COCCN1 ZINC001579734886 1172251266 /nfs/dbraw/zinc/25/12/66/1172251266.db2.gz RHCKJOVJUPMJNT-LBPRGKRZSA-N 0 3 279.340 1.290 20 5 CDBDHN O=C(OC1CNC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580801549 1172541015 /nfs/dbraw/zinc/54/10/15/1172541015.db2.gz UUWZGKKGPHVJEA-UHFFFAOYSA-N 0 3 263.253 1.066 20 5 CDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1 ZINC000813113354 1163815615 /nfs/dbraw/zinc/81/56/15/1163815615.db2.gz ZFXSVMWGLSPTLQ-SECBINFHSA-N 0 3 290.279 1.398 20 5 CDBDHN Cc1nc(N2CCN(C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000296632959 721861641 /nfs/dbraw/zinc/86/16/41/721861641.db2.gz VTMRHKNZNVXVIM-UHFFFAOYSA-N 0 3 291.355 1.758 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2COCCO2)cc1Cl ZINC000783595832 758850619 /nfs/dbraw/zinc/85/06/19/758850619.db2.gz DOCBLRUFDCQKOM-JTQLQIEISA-N 0 3 286.715 1.753 20 5 CDBDHN Cc1cc(-n2cncn2)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108658 758911998 /nfs/dbraw/zinc/91/19/98/758911998.db2.gz JJJRJNYFJGELLC-JTQLQIEISA-N 0 3 290.279 1.398 20 5 CDBDHN CC[C@H](C)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886236347 768843770 /nfs/dbraw/zinc/84/37/70/768843770.db2.gz FHLMRTFISFEJMS-LBPRGKRZSA-N 0 3 278.356 1.906 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)CC(F)F)cc1 ZINC000717834700 769025880 /nfs/dbraw/zinc/02/58/80/769025880.db2.gz JLPFFEIHWLHWHJ-KOLCDFICSA-N 0 3 290.266 1.234 20 5 CDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccn1 ZINC000813110026 769091513 /nfs/dbraw/zinc/09/15/13/769091513.db2.gz RAXGRJAYDBBJGG-VIFPVBQESA-N 0 3 290.279 1.398 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)[nH]c(=O)n2C)[N+](=O)[O-] ZINC000813110448 769446083 /nfs/dbraw/zinc/44/60/83/769446083.db2.gz AWWBMCONRPQRRG-SSDOTTSWSA-N 0 3 279.252 1.101 20 5 CDBDHN CCC1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589459 769517060 /nfs/dbraw/zinc/51/70/60/769517060.db2.gz SKWYCEJFHJEUAT-AWEZNQCLSA-N 0 3 294.351 1.865 20 5 CDBDHN COCC[C@@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000305958244 770045458 /nfs/dbraw/zinc/04/54/58/770045458.db2.gz WFIQDZLOVGKPRP-NSHDSACASA-N 0 3 254.286 1.082 20 5 CDBDHN C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572501 770395366 /nfs/dbraw/zinc/39/53/66/770395366.db2.gz FIQMDIZJOCFEST-SCZZXKLOSA-N 0 3 278.312 1.058 20 5 CDBDHN Cc1cccc2c1O[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000835455744 771239712 /nfs/dbraw/zinc/23/97/12/771239712.db2.gz OLUXTJCFIVUFSQ-MWLCHTKSSA-N 0 3 265.265 1.507 20 5 CDBDHN Cc1n[nH]cc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818949980 771896710 /nfs/dbraw/zinc/89/67/10/771896710.db2.gz RCBWUKPFSGCUDS-ZDUSSCGKSA-N 0 3 276.296 1.450 20 5 CDBDHN C[C@@H]1[C@@H](CO)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672373 772007665 /nfs/dbraw/zinc/00/76/65/772007665.db2.gz FTQFZHKQMABCGW-KYOSRNDESA-N 0 3 294.351 1.721 20 5 CDBDHN CN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877018953 772012825 /nfs/dbraw/zinc/01/28/25/772012825.db2.gz CUPOSUHLEBBDNS-SECBINFHSA-N 0 3 276.296 1.530 20 5 CDBDHN CC(C)n1ncc2cc(C(=O)OCC(C)[N+](=O)[O-])cnc21 ZINC000813113330 772053358 /nfs/dbraw/zinc/05/33/58/772053358.db2.gz YNOWKXAXEFLYIB-SECBINFHSA-N 0 3 292.295 1.834 20 5 CDBDHN CO[C@@H]1C[C@H](NCc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229994 772453595 /nfs/dbraw/zinc/45/35/95/772453595.db2.gz ZAVDMRHAEAVLCA-WDEREUQCSA-N 0 3 265.313 1.893 20 5 CDBDHN Cc1nnc(-c2ccccc2C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813103933 772739282 /nfs/dbraw/zinc/73/92/82/772739282.db2.gz IRHUNBFYYMVQSH-QMMMGPOBSA-N 0 3 291.263 1.867 20 5 CDBDHN COC[C@@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591989 772817177 /nfs/dbraw/zinc/81/71/77/772817177.db2.gz NRUGVEDOIDUWBH-UONOGXRCSA-N 0 3 280.324 1.739 20 5 CDBDHN N[C@H](CC1CC1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000884140091 773536982 /nfs/dbraw/zinc/53/69/82/773536982.db2.gz KFPAFPZOYKBEKW-LLVKDONJSA-N 0 3 275.308 1.611 20 5 CDBDHN CCc1nn(C)c(NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000807988897 773668116 /nfs/dbraw/zinc/66/81/16/773668116.db2.gz WRODIAWVJPAUAK-JTQLQIEISA-N 0 3 281.360 1.787 20 5 CDBDHN CC(=O)NCCCCCCNCc1c([N+](=O)[O-])ncn1C ZINC001177696129 914870139 /nfs/dbraw/zinc/87/01/39/914870139.db2.gz FTZXVIYRNHRZTH-UHFFFAOYSA-N 0 3 297.359 1.114 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](NC1(CO)COC1)CC2 ZINC001172901238 912039679 /nfs/dbraw/zinc/03/96/79/912039679.db2.gz LRUVWGBYIRQZBJ-CYBMUJFWSA-N 0 3 292.335 1.193 20 5 CDBDHN O=[N+]([O-])c1c(F)nccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000881868881 929910083 /nfs/dbraw/zinc/91/00/83/929910083.db2.gz QVOYCANKLZYCOV-UWVGGRQHSA-N 0 3 296.302 1.404 20 5 CDBDHN NCc1cnnn1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001158420361 938620902 /nfs/dbraw/zinc/62/09/02/938620902.db2.gz PDFYKSXVTXUFJF-UHFFFAOYSA-N 0 3 289.082 1.336 20 5 CDBDHN CC(C)N1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226732894 942060473 /nfs/dbraw/zinc/06/04/73/942060473.db2.gz AZBGLKIUFYHBBK-NSHDSACASA-N 0 3 266.301 1.636 20 5 CDBDHN Cc1ccc(OC2CCN(C)CC2)c([N+](=O)[O-])n1 ZINC001227220512 942152732 /nfs/dbraw/zinc/15/27/32/942152732.db2.gz SHMHOHZHTFKYKR-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227615970 942197346 /nfs/dbraw/zinc/19/73/46/942197346.db2.gz HZOXFWBDCWHBRW-SSDOTTSWSA-O 0 3 268.366 1.115 20 5 CDBDHN CN1CC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228802217 942379142 /nfs/dbraw/zinc/37/91/42/942379142.db2.gz GODCGPPLSKFSMN-VIFPVBQESA-N 0 3 290.275 1.784 20 5 CDBDHN CC(COC(=O)c1ccn(CCC(F)(F)F)n1)[N+](=O)[O-] ZINC001343651471 964077804 /nfs/dbraw/zinc/07/78/04/964077804.db2.gz PCGXWXJYDFAUEN-SSDOTTSWSA-N 0 3 295.217 1.658 20 5 CDBDHN CC(C)C[C@H](N)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001349403571 966336871 /nfs/dbraw/zinc/33/68/71/966336871.db2.gz MOACPXIUORQPNQ-ZDUSSCGKSA-N 0 3 277.324 1.810 20 5 CDBDHN CC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001132452044 1163307544 /nfs/dbraw/zinc/30/75/44/1163307544.db2.gz UIJMAXUAQMAONN-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN CC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001132452372 1163308484 /nfs/dbraw/zinc/30/84/84/1163308484.db2.gz YYDUNWHNEWWHQK-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN CC[C@H](N[C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601306822 342551318 /nfs/dbraw/zinc/55/13/18/342551318.db2.gz SGCMASTZQVVMJL-BFHYXJOUSA-N 0 3 280.324 1.785 20 5 CDBDHN CC1(C)CN(c2ncc([N+](=O)[O-])cc2F)CCN1 ZINC000591444554 342632569 /nfs/dbraw/zinc/63/25/69/342632569.db2.gz RCXNVHWDIBVXLZ-UHFFFAOYSA-N 0 3 254.265 1.317 20 5 CDBDHN CN1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611699890 346848632 /nfs/dbraw/zinc/84/86/32/346848632.db2.gz IJSCKUAHQZMBCV-UHFFFAOYSA-N 0 3 287.323 1.680 20 5 CDBDHN C[C@@H](CO)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000593084517 342763507 /nfs/dbraw/zinc/76/35/07/342763507.db2.gz QHCGWOUXHFBFRP-NSHDSACASA-N 0 3 282.344 1.132 20 5 CDBDHN CCNC(=O)CN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000157959214 342212787 /nfs/dbraw/zinc/21/27/87/342212787.db2.gz FZWPBWNGXKQKJE-LLVKDONJSA-N 0 3 279.340 1.642 20 5 CDBDHN COc1cc(CNC[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OC ZINC000265254752 361967479 /nfs/dbraw/zinc/96/74/79/361967479.db2.gz PJZNOXUQAQMSRN-GFCCVEGCSA-N 0 3 296.323 1.473 20 5 CDBDHN CN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000593884626 342844725 /nfs/dbraw/zinc/84/47/25/342844725.db2.gz UJOZYGHAOOKUKH-UHFFFAOYSA-N 0 3 280.328 1.481 20 5 CDBDHN CC[C@@H](NC[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600710980 342243725 /nfs/dbraw/zinc/24/37/25/342243725.db2.gz RCDDCEGLUMLYGK-TZMCWYRMSA-N 0 3 279.340 1.624 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCOCCO ZINC000595034051 342997399 /nfs/dbraw/zinc/99/73/99/342997399.db2.gz PBZMMMYGBSMHHF-LLVKDONJSA-N 0 3 298.339 1.653 20 5 CDBDHN Cc1c(CN[C@H](C)Cn2cncn2)cccc1[N+](=O)[O-] ZINC000595039406 342998172 /nfs/dbraw/zinc/99/81/72/342998172.db2.gz DZIVISNWSFBKRV-SNVBAGLBSA-N 0 3 275.312 1.673 20 5 CDBDHN CCc1ccc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000174024916 529603976 /nfs/dbraw/zinc/60/39/76/529603976.db2.gz PHRITVWBKYRVTM-UHFFFAOYSA-N 0 3 291.351 1.983 20 5 CDBDHN CN(C)CCN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000075669293 342314230 /nfs/dbraw/zinc/31/42/30/342314230.db2.gz KHJKNRFHIGSHFR-UHFFFAOYSA-N 0 3 293.371 1.428 20 5 CDBDHN C[N@H+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596088211 343233485 /nfs/dbraw/zinc/23/34/85/343233485.db2.gz MNEOGXWWIIVLDD-UHFFFAOYSA-N 0 3 252.274 1.202 20 5 CDBDHN C[N@@H+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596088211 343233486 /nfs/dbraw/zinc/23/34/86/343233486.db2.gz MNEOGXWWIIVLDD-UHFFFAOYSA-N 0 3 252.274 1.202 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC000596147431 343244045 /nfs/dbraw/zinc/24/40/45/343244045.db2.gz WYZWOTHNRQFWAQ-KOLCDFICSA-N 0 3 292.339 1.588 20 5 CDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596474746 343326128 /nfs/dbraw/zinc/32/61/28/343326128.db2.gz BUQCEUYVEZVDPQ-LLVKDONJSA-N 0 3 294.355 1.773 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1C[C@@H](O)C1)OCCO2 ZINC000599008268 343938987 /nfs/dbraw/zinc/93/89/87/343938987.db2.gz XPESLHIQKQEXCI-JGZJWPJOSA-N 0 3 294.307 1.227 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCN1CC[C@@H](O)C1 ZINC000599085122 343951070 /nfs/dbraw/zinc/95/10/70/343951070.db2.gz MVGYBUJGXXYEMG-BXUZGUMPSA-N 0 3 291.351 1.238 20 5 CDBDHN Cn1cc(CN2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602623521 344500632 /nfs/dbraw/zinc/50/06/32/344500632.db2.gz HLLGHNJMZFIVMF-KOLCDFICSA-N 0 3 250.302 1.703 20 5 CDBDHN CO[C@H](C)CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602826721 344612844 /nfs/dbraw/zinc/61/28/44/344612844.db2.gz JILQKQAKNQXPNH-SECBINFHSA-N 0 3 256.306 1.066 20 5 CDBDHN CO[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1(C)C ZINC000602842201 344621999 /nfs/dbraw/zinc/62/19/99/344621999.db2.gz QTWSZLJWUPZDLQ-GFCCVEGCSA-N 0 3 296.371 1.847 20 5 CDBDHN COC[C@H](CO)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603430251 344802903 /nfs/dbraw/zinc/80/29/03/344802903.db2.gz YIQDTDHAEODLIY-GXJZLWQJSA-N 0 3 280.324 1.595 20 5 CDBDHN C[C@H](C(=O)NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000584832631 346449067 /nfs/dbraw/zinc/44/90/67/346449067.db2.gz XQFYHLRVDHPTQV-JTQLQIEISA-N 0 3 265.313 1.376 20 5 CDBDHN Cc1cc(N2CC[C@H](OCCN(C)C)C2)ncc1[N+](=O)[O-] ZINC000611132785 346616983 /nfs/dbraw/zinc/61/69/83/346616983.db2.gz MYOBIQKHPVMEGO-LBPRGKRZSA-N 0 3 294.355 1.455 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000068341992 347563448 /nfs/dbraw/zinc/56/34/48/347563448.db2.gz AXZSTSJISOLGBW-ZDUSSCGKSA-N 0 3 277.324 1.761 20 5 CDBDHN C[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000090573769 347784690 /nfs/dbraw/zinc/78/46/90/347784690.db2.gz UNNRTDOLHPCPLL-HUBLWGQQSA-N 0 3 293.367 1.965 20 5 CDBDHN CN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000067701760 349034022 /nfs/dbraw/zinc/03/40/22/349034022.db2.gz FVXBQWKIJANQBJ-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000068342268 349062652 /nfs/dbraw/zinc/06/26/52/349062652.db2.gz PZVPPHXSLJUARS-ZDUSSCGKSA-N 0 3 291.351 1.690 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CNCCO1 ZINC000091300081 180126563 /nfs/dbraw/zinc/12/65/63/180126563.db2.gz HOYZYCVSABZPKW-NSHDSACASA-N 0 3 279.296 1.220 20 5 CDBDHN CCN1CCCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000307855648 350378037 /nfs/dbraw/zinc/37/80/37/350378037.db2.gz DOPPUSATADWBOD-UHFFFAOYSA-N 0 3 265.317 1.104 20 5 CDBDHN COc1cc(NCCN(C)C)c([N+](=O)[O-])cc1OC ZINC000142319130 187910040 /nfs/dbraw/zinc/91/00/40/187910040.db2.gz OXSDZCUWNRMQAV-UHFFFAOYSA-N 0 3 269.301 1.586 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000154660542 188156276 /nfs/dbraw/zinc/15/62/76/188156276.db2.gz QUSZUVXGBSGQSK-KBPBESRZSA-N 0 3 296.367 1.967 20 5 CDBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000155104757 188183705 /nfs/dbraw/zinc/18/37/05/188183705.db2.gz FYHPNXLQCQPYRD-MNOVXSKESA-N 0 3 293.323 1.548 20 5 CDBDHN Nc1c(C(=O)NCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000157291249 188307688 /nfs/dbraw/zinc/30/76/88/188307688.db2.gz KGDNBRLRYWXQJU-UHFFFAOYSA-N 0 3 292.339 1.393 20 5 CDBDHN Cc1c(CN2CC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411942607 363378740 /nfs/dbraw/zinc/37/87/40/363378740.db2.gz PWTNUYMYVGGCEN-CYBMUJFWSA-N 0 3 291.351 1.813 20 5 CDBDHN Cn1ccc(CCNCc2ccc([N+](=O)[O-])cc2F)n1 ZINC000336833246 356290213 /nfs/dbraw/zinc/29/02/13/356290213.db2.gz GKNXRZUIFWHBCK-UHFFFAOYSA-N 0 3 278.287 1.800 20 5 CDBDHN CCCN(C)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000358570196 356307717 /nfs/dbraw/zinc/30/77/17/356307717.db2.gz ZEAKMPLTJLXXIH-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000287394790 358512956 /nfs/dbraw/zinc/51/29/56/358512956.db2.gz YORQJWBPPHZRNF-QWRGUYRKSA-N 0 3 293.323 1.887 20 5 CDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000590344393 357260591 /nfs/dbraw/zinc/26/05/91/357260591.db2.gz ILFYJXQJZWABCD-NSHDSACASA-N 0 3 294.355 1.490 20 5 CDBDHN C[C@H](NCCN1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000361348038 358165607 /nfs/dbraw/zinc/16/56/07/358165607.db2.gz GPFHCLJLGZEVFX-ZDUSSCGKSA-N 0 3 293.367 1.968 20 5 CDBDHN CN(CCN(C)C1CC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193502954 358299890 /nfs/dbraw/zinc/29/98/90/358299890.db2.gz CCHNBEQTHDUHCI-UHFFFAOYSA-N 0 3 264.329 1.707 20 5 CDBDHN C[C@H]1CCNC(=O)[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000193632559 358311552 /nfs/dbraw/zinc/31/15/52/358311552.db2.gz UNJOXUJOIBWXSW-GWCFXTLKSA-N 0 3 293.323 1.088 20 5 CDBDHN CNC(=O)C(C)(C)CNCc1cccc([N+](=O)[O-])c1 ZINC000120296758 358342440 /nfs/dbraw/zinc/34/24/40/358342440.db2.gz JINDKFZKRXRHJM-UHFFFAOYSA-N 0 3 265.313 1.457 20 5 CDBDHN CC[C@]1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341573464 358661654 /nfs/dbraw/zinc/66/16/54/358661654.db2.gz DRVMAULYUVACEV-CQSZACIVSA-N 0 3 279.340 1.879 20 5 CDBDHN COc1cc(N2C[C@@H]3CCN(C)[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000450775891 359001349 /nfs/dbraw/zinc/00/13/49/359001349.db2.gz GQPUYLASKRMVFX-TVQRCGJNSA-N 0 3 295.314 1.883 20 5 CDBDHN COc1ccc(CNC[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353070837 359133607 /nfs/dbraw/zinc/13/36/07/359133607.db2.gz ISRPOWQGTGYCAX-GFCCVEGCSA-N 0 3 280.324 1.712 20 5 CDBDHN NC1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000050015914 359276099 /nfs/dbraw/zinc/27/60/99/359276099.db2.gz HLGKQLSXKMVMBE-UHFFFAOYSA-N 0 3 277.324 1.873 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049956561 359527032 /nfs/dbraw/zinc/52/70/32/359527032.db2.gz FOGIAEJQMBSYAM-LLVKDONJSA-N 0 3 292.339 1.391 20 5 CDBDHN CN(C)[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000571652701 359596576 /nfs/dbraw/zinc/59/65/76/359596576.db2.gz CCTRXKAKMCMXBP-STQMWFEESA-N 0 3 299.758 1.355 20 5 CDBDHN C[C@H](O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000135642804 359803275 /nfs/dbraw/zinc/80/32/75/359803275.db2.gz VYQQTGRISIIEJE-NSHDSACASA-N 0 3 252.314 1.840 20 5 CDBDHN CC(COC(=O)c1cccc(N2CCOC2=O)c1)[N+](=O)[O-] ZINC000496332739 359916752 /nfs/dbraw/zinc/91/67/52/359916752.db2.gz UEBILSUKQTWTJK-SECBINFHSA-N 0 3 294.263 1.465 20 5 CDBDHN C[C@]1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC(=O)N1 ZINC000572497170 360979815 /nfs/dbraw/zinc/97/98/15/360979815.db2.gz FHKYHZWEBTUXBL-IUODEOHRSA-N 0 3 289.335 1.840 20 5 CDBDHN Cc1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000037982681 361287516 /nfs/dbraw/zinc/28/75/16/361287516.db2.gz OKXNCEYVVGEEDG-GFCCVEGCSA-N 0 3 298.364 1.428 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2COCCO2)cc1 ZINC000037998094 361523116 /nfs/dbraw/zinc/52/31/16/361523116.db2.gz IHYBCIVAFZDBOB-GFCCVEGCSA-N 0 3 252.270 1.100 20 5 CDBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(C)C1 ZINC000572725572 361679280 /nfs/dbraw/zinc/67/92/80/361679280.db2.gz TXSZXYDEBLSGPT-SECBINFHSA-N 0 3 278.312 1.527 20 5 CDBDHN CN(C)C1(CN(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000275811938 193135790 /nfs/dbraw/zinc/13/57/90/193135790.db2.gz IUZJFZFFOSVCNC-UHFFFAOYSA-N 0 3 280.328 1.479 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000130531630 367284795 /nfs/dbraw/zinc/28/47/95/367284795.db2.gz BWBMETPKHQNZHR-QPUJVOFHSA-N 0 3 281.312 1.915 20 5 CDBDHN Cc1c(CO)cc([N+](=O)[O-])c(NCCN(C)C)c1[N+](=O)[O-] ZINC000301069239 367607055 /nfs/dbraw/zinc/60/70/55/367607055.db2.gz DQAUDVNUUTVOJI-UHFFFAOYSA-N 0 3 298.299 1.277 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCN1C ZINC000090794990 368132774 /nfs/dbraw/zinc/13/27/74/368132774.db2.gz WBVRYKBRKXHOMC-ZJUUUORDSA-N 0 3 250.302 1.884 20 5 CDBDHN COc1cc(C[NH2+][C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330612970 203038080 /nfs/dbraw/zinc/03/80/80/203038080.db2.gz YJXUDBRAFWYUMP-KOLCDFICSA-N 0 3 296.323 1.966 20 5 CDBDHN Cc1ccc(CNCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000037751955 370055783 /nfs/dbraw/zinc/05/57/83/370055783.db2.gz CXODQOGXFXPCHD-UHFFFAOYSA-N 0 3 265.313 1.471 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](CN(C)C)C1 ZINC000266504200 373057606 /nfs/dbraw/zinc/05/76/06/373057606.db2.gz BIEZTYPYOLOCND-STQMWFEESA-N 0 3 293.367 1.918 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CSCCN1 ZINC000091135055 373748963 /nfs/dbraw/zinc/74/89/63/373748963.db2.gz MEHHQTDBVWJZIH-JTQLQIEISA-N 0 3 295.364 1.937 20 5 CDBDHN CNC(=O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000298714264 373803483 /nfs/dbraw/zinc/80/34/83/373803483.db2.gz WOLKBNFZLBUPEO-VIFPVBQESA-N 0 3 251.286 1.209 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423730177 246009569 /nfs/dbraw/zinc/00/95/69/246009569.db2.gz WCCIKRYZMIVJEK-SNVBAGLBSA-N 0 3 291.311 1.205 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000421780930 374332009 /nfs/dbraw/zinc/33/20/09/374332009.db2.gz WLEKORYEQMAVGK-UHFFFAOYSA-N 0 3 279.340 1.845 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423530188 374387861 /nfs/dbraw/zinc/38/78/61/374387861.db2.gz WONOWGGOUKSVDD-DGCLKSJQSA-N 0 3 279.340 1.542 20 5 CDBDHN COc1ccc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000080389538 374464767 /nfs/dbraw/zinc/46/47/67/374464767.db2.gz YYZGNNHPMSXOPN-UHFFFAOYSA-N 0 3 281.312 1.237 20 5 CDBDHN CN(C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299145777 374455646 /nfs/dbraw/zinc/45/56/46/374455646.db2.gz PSTRLZLXTZRAPA-UHFFFAOYSA-N 0 3 276.296 1.368 20 5 CDBDHN Cc1nn(C)c(N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000274456074 374673886 /nfs/dbraw/zinc/67/38/86/374673886.db2.gz JPYXSHXSIJXVDQ-UHFFFAOYSA-N 0 3 267.333 1.167 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CO)[C@H]1CCCO1 ZINC000447911842 374721346 /nfs/dbraw/zinc/72/13/46/374721346.db2.gz FOLSFGYZNHYDLB-DGCLKSJQSA-N 0 3 296.323 1.103 20 5 CDBDHN CO[C@@H]1COCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000449462750 374812961 /nfs/dbraw/zinc/81/29/61/374812961.db2.gz VQBFICDHEWNIIR-BXUZGUMPSA-N 0 3 298.314 1.875 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000277543007 374793939 /nfs/dbraw/zinc/79/39/39/374793939.db2.gz XDFYYPHTWIGBMQ-ADYIUWEDSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOC1 ZINC000280601900 375006247 /nfs/dbraw/zinc/00/62/47/375006247.db2.gz ODOOOMJPNVCLMI-ZJUUUORDSA-N 0 3 290.323 1.986 20 5 CDBDHN C[S@@](=O)C1(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000282222266 375073277 /nfs/dbraw/zinc/07/32/77/375073277.db2.gz DZQDFWZJGAQBOO-GOSISDBHSA-N 0 3 268.338 1.596 20 5 CDBDHN CCOC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000495903702 375457433 /nfs/dbraw/zinc/45/74/33/375457433.db2.gz MYEBEPCUFSNBJF-NXEZZACHSA-N 0 3 288.300 1.063 20 5 CDBDHN COC[C@H](CCO)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344884246 375633619 /nfs/dbraw/zinc/63/36/19/375633619.db2.gz YMCZRFQXUWVAKM-BCNIOPEESA-N 0 3 294.351 1.985 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCN1C ZINC000345012233 375714973 /nfs/dbraw/zinc/71/49/73/375714973.db2.gz PIKONXUCNVKZJA-BDAKNGLRSA-N 0 3 266.301 1.135 20 5 CDBDHN Cc1nn(CCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000294216369 375774001 /nfs/dbraw/zinc/77/40/01/375774001.db2.gz NBRAELYOFZFFAP-UHFFFAOYSA-N 0 3 252.318 1.832 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134270065 375946833 /nfs/dbraw/zinc/94/68/33/375946833.db2.gz LAOOPKCRRCCOKB-VIFPVBQESA-N 0 3 281.287 1.415 20 5 CDBDHN CCOC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000172722612 377718515 /nfs/dbraw/zinc/71/85/15/377718515.db2.gz RSRVDWLIBRCDPS-UHFFFAOYSA-N 0 3 268.317 1.292 20 5 CDBDHN CNC(=O)C[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574926505 378781796 /nfs/dbraw/zinc/78/17/96/378781796.db2.gz FHZKATHEMDWWCW-SKDRFNHKSA-N 0 3 277.324 1.696 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000266940276 378875712 /nfs/dbraw/zinc/87/57/12/378875712.db2.gz PRKXKWVJMFOCCQ-MNOVXSKESA-N 0 3 252.318 1.912 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CNC[C@@H]3CCCOC3)nc2c1 ZINC000446848094 250318903 /nfs/dbraw/zinc/31/89/03/250318903.db2.gz FALVOOJBQKPZAC-JTQLQIEISA-N 0 3 290.323 1.987 20 5 CDBDHN CO[C@]1(C)C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882554 379605794 /nfs/dbraw/zinc/60/57/94/379605794.db2.gz LOTYAADTCWECRP-TZMCWYRMSA-N 0 3 296.371 1.927 20 5 CDBDHN C[C@H](O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570522 251344192 /nfs/dbraw/zinc/34/41/92/251344192.db2.gz PFQWZQOHYJRNQK-QWRGUYRKSA-N 0 3 280.328 1.247 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)[C@H]1CCOC1 ZINC000280260923 194770156 /nfs/dbraw/zinc/77/01/56/194770156.db2.gz JVMWPFYDULOCIB-QWHCGFSZSA-N 0 3 280.324 1.329 20 5 CDBDHN CO[C@@](C)([C@@H](C)NCc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000411949037 533006024 /nfs/dbraw/zinc/00/60/24/533006024.db2.gz NSCGPLPDXNCNGT-RNCFNFMXSA-N 0 3 282.344 1.622 20 5 CDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000288244385 197035507 /nfs/dbraw/zinc/03/55/07/197035507.db2.gz FUXRWRLMZZMEHS-GHMZBOCLSA-N 0 3 292.339 1.622 20 5 CDBDHN CCc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000286953205 196743069 /nfs/dbraw/zinc/74/30/69/196743069.db2.gz KQQGZUYCNCEGHX-JTQLQIEISA-N 0 3 279.340 1.837 20 5 CDBDHN COCCNCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423322617 390826522 /nfs/dbraw/zinc/82/65/22/390826522.db2.gz NYICFOSHYKATRI-NSHDSACASA-N 0 3 267.329 1.481 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000342219765 130392512 /nfs/dbraw/zinc/39/25/12/130392512.db2.gz JYOPMQAXPWBVMH-GFCCVEGCSA-N 0 3 298.364 1.509 20 5 CDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C(C)(C)N ZINC000237255389 131018400 /nfs/dbraw/zinc/01/84/00/131018400.db2.gz PBOWQUMFUJLNKH-UHFFFAOYSA-N 0 3 285.731 1.944 20 5 CDBDHN C[C@H]1NCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262749836 131258657 /nfs/dbraw/zinc/25/86/57/131258657.db2.gz GKHFSSJAIAOTGH-MNOVXSKESA-N 0 3 293.323 1.182 20 5 CDBDHN O=c1c([N+](=O)[O-])cccn1CCN1CCCCC1 ZINC000263669382 131305745 /nfs/dbraw/zinc/30/57/45/131305745.db2.gz LVRYQVUVOFGSMA-UHFFFAOYSA-N 0 3 251.286 1.242 20 5 CDBDHN CN1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000263697067 131311126 /nfs/dbraw/zinc/31/11/26/131311126.db2.gz DYSHXEOQEOEQNM-FUEXJSSKSA-N 0 3 275.308 1.428 20 5 CDBDHN C[C@@H](NC[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459395424 392431323 /nfs/dbraw/zinc/43/13/23/392431323.db2.gz PJIBOZVGJPRRDM-PWSUYJOCSA-N 0 3 277.324 1.772 20 5 CDBDHN COCC[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282083863 393171715 /nfs/dbraw/zinc/17/17/15/393171715.db2.gz CBCAHJXZIFUXTB-LLVKDONJSA-N 0 3 284.312 1.090 20 5 CDBDHN COC(=O)COC[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000449276115 393132064 /nfs/dbraw/zinc/13/20/64/393132064.db2.gz ATGKTLSJAVJGQX-SNVBAGLBSA-N 0 3 296.323 1.571 20 5 CDBDHN CN1CC[C@H](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000187658020 140082695 /nfs/dbraw/zinc/08/26/95/140082695.db2.gz BQUPOHXZELWNEA-VIFPVBQESA-N 0 3 289.291 1.143 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)CCN(C)C1CC1 ZINC000192777508 140144509 /nfs/dbraw/zinc/14/45/09/140144509.db2.gz GXEMNZNQFKJMPQ-UHFFFAOYSA-N 0 3 281.360 1.650 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCCN1C ZINC000343449088 152181610 /nfs/dbraw/zinc/18/16/10/152181610.db2.gz OBJMMMQSGGAETI-ZJUUUORDSA-N 0 3 280.328 1.146 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CN(C)C ZINC000346158698 153076202 /nfs/dbraw/zinc/07/62/02/153076202.db2.gz KYGAEZGRJIMQJK-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN CCCN(C)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000359254161 158184135 /nfs/dbraw/zinc/18/41/35/158184135.db2.gz SIIYWJZRYDLGCJ-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359809528 158385299 /nfs/dbraw/zinc/38/52/99/158385299.db2.gz OJKXYOLOGFPVFW-AWEZNQCLSA-N 0 3 296.323 1.057 20 5 CDBDHN C[C@H](CO)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000284337036 196033373 /nfs/dbraw/zinc/03/33/73/196033373.db2.gz BWVZHBIIRBDIPF-SNVBAGLBSA-N 0 3 254.286 1.286 20 5 CDBDHN CO[C@@H](C)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000285682106 196363994 /nfs/dbraw/zinc/36/39/94/196363994.db2.gz NFNPZFYCVYFXAE-NSHDSACASA-N 0 3 268.313 1.940 20 5 CDBDHN CSCC[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676260 174373839 /nfs/dbraw/zinc/37/38/39/174373839.db2.gz YAXNIYILJIXMEX-LBPRGKRZSA-N 0 3 297.380 1.334 20 5 CDBDHN CN1CCC[C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000044537769 175199812 /nfs/dbraw/zinc/19/98/12/175199812.db2.gz FJTIHMLWALFGKJ-SNVBAGLBSA-N 0 3 292.339 1.447 20 5 CDBDHN CC[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518796128 262347045 /nfs/dbraw/zinc/34/70/45/262347045.db2.gz SQSORFZMLREGPP-JOYOIKCWSA-N 0 3 250.298 1.943 20 5 CDBDHN CN1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278852098 273939562 /nfs/dbraw/zinc/93/95/62/273939562.db2.gz VRIUXRJRQXBHKC-BXUZGUMPSA-N 0 3 289.335 1.793 20 5 CDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000112925939 276071040 /nfs/dbraw/zinc/07/10/40/276071040.db2.gz ITPNKPPSNRZPQO-UHFFFAOYSA-N 0 3 294.355 1.342 20 5 CDBDHN CCN(C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271802461 279031159 /nfs/dbraw/zinc/03/11/59/279031159.db2.gz PLAUWKLVDMKZCA-LLVKDONJSA-N 0 3 294.355 1.907 20 5 CDBDHN CN1CCC(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000089312548 279260377 /nfs/dbraw/zinc/26/03/77/279260377.db2.gz SJVYTXYREIDSGL-UHFFFAOYSA-N 0 3 291.351 1.595 20 5 CDBDHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000157153076 289279665 /nfs/dbraw/zinc/27/96/65/289279665.db2.gz JFMFWNFROJRSJG-MJBXVCDLSA-N 0 3 280.324 1.877 20 5 CDBDHN Cc1ncc(CNCCc2ccccc2[N+](=O)[O-])n1C ZINC000570293499 294212086 /nfs/dbraw/zinc/21/20/86/294212086.db2.gz QCXWEWFUJQVPGT-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN CNC(=O)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000574486585 295006873 /nfs/dbraw/zinc/00/68/73/295006873.db2.gz KDLYNGCWFKJWRI-POHAHGRESA-N 0 3 263.297 1.334 20 5 CDBDHN C[C@H]1C[C@H](C)CN(CCn2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000584242651 327125987 /nfs/dbraw/zinc/12/59/87/327125987.db2.gz BFUSHESPUSLLKA-QWRGUYRKSA-N 0 3 297.330 1.874 20 5 CDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000184796259 526961606 /nfs/dbraw/zinc/96/16/06/526961606.db2.gz NMOAFCIQMBZVPA-NEPJUHHUSA-N 0 3 277.324 1.729 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccncc2)c1 ZINC000749643232 574539148 /nfs/dbraw/zinc/53/91/48/574539148.db2.gz AJCRDNMDYISGJK-AWEZNQCLSA-N 0 3 273.292 1.813 20 5 CDBDHN C[C@]1(CO)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893730 576441440 /nfs/dbraw/zinc/44/14/40/576441440.db2.gz OJRTVPRXSYXAJI-UONOGXRCSA-N 0 3 280.324 1.475 20 5 CDBDHN C[C@H](N[C@@H](CO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763062116 576706181 /nfs/dbraw/zinc/70/61/81/576706181.db2.gz ACQVHPFDBCAAKN-ZANVPECISA-N 0 3 293.323 1.282 20 5 CDBDHN CC(COC(=O)c1ccnc(-n2cccn2)c1)[N+](=O)[O-] ZINC000813114610 617349173 /nfs/dbraw/zinc/34/91/73/617349173.db2.gz DNDWXEJPNCURER-SECBINFHSA-N 0 3 276.252 1.089 20 5 CDBDHN CC(=O)N[C@H](CCC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000851036816 617565699 /nfs/dbraw/zinc/56/56/99/617565699.db2.gz NKKUULGZEPIVFV-MWLCHTKSSA-N 0 3 274.317 1.136 20 5 CDBDHN CN(C)CCN(C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934011500 617840769 /nfs/dbraw/zinc/84/07/69/617840769.db2.gz MTCAROMIPYNQNL-KBPBESRZSA-N 0 3 291.351 1.718 20 5 CDBDHN O=[N+]([O-])CCNC[C@H](c1ccco1)N1CCCC1 ZINC000899859479 622486590 /nfs/dbraw/zinc/48/65/90/622486590.db2.gz KRSGDKIREUGSRN-LLVKDONJSA-N 0 3 253.302 1.283 20 5 CDBDHN CC[C@@H](C)N[C@@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905294827 626723752 /nfs/dbraw/zinc/72/37/52/626723752.db2.gz LIJLVARBGUMTSH-MNOVXSKESA-N 0 3 255.318 1.575 20 5 CDBDHN CCOc1cc(N[C@@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170570416 1162955985 /nfs/dbraw/zinc/95/59/85/1162955985.db2.gz BXDKPAABIDDYAJ-IINYFYTJSA-N 0 3 295.339 1.782 20 5 CDBDHN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2c1)[C@@H]1CNCCO1 ZINC001170571766 1162966185 /nfs/dbraw/zinc/96/61/85/1162966185.db2.gz ZRFQZGXLRUMPCP-KOLCDFICSA-N 0 3 291.311 1.031 20 5 CDBDHN C[C@@H]1NC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000401270062 1186409602 /nfs/dbraw/zinc/40/96/02/1186409602.db2.gz UITSEDFXDVWOCQ-DCAQKATOSA-N 0 3 277.324 1.806 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)CC(F)F)cc1 ZINC000717834701 777730261 /nfs/dbraw/zinc/73/02/61/777730261.db2.gz JLPFFEIHWLHWHJ-MWLCHTKSSA-N 0 3 290.266 1.234 20 5 CDBDHN CC(COC(=O)c1sccc1-n1ccnn1)[N+](=O)[O-] ZINC000838965691 773887090 /nfs/dbraw/zinc/88/70/90/773887090.db2.gz WQBSKFPEGJSTRT-ZETCQYMHSA-N 0 3 282.281 1.151 20 5 CDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc2c1OCCO2 ZINC000813109482 774240884 /nfs/dbraw/zinc/24/08/84/774240884.db2.gz UIGLLGGGCIWDAI-MRVPVSSYSA-N 0 3 297.263 1.288 20 5 CDBDHN CNc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(Cl)n1 ZINC000813115165 774473090 /nfs/dbraw/zinc/47/30/90/774473090.db2.gz LPNNKANSTMPVFR-ZCFIWIBFSA-N 0 3 273.676 1.599 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCO[C@H]2CCOC2)cc1 ZINC000725000304 774482912 /nfs/dbraw/zinc/48/29/12/774482912.db2.gz WSXRYTLKHKEDFZ-ZDUSSCGKSA-N 0 3 266.297 1.490 20 5 CDBDHN CC(COC(=O)/C=C\c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813102770 775074286 /nfs/dbraw/zinc/07/42/86/775074286.db2.gz VGSCQGJBSQVNIN-AZVKUDOFSA-N 0 3 279.248 1.637 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN[C@H](CO)C1CCCC1 ZINC000886211641 775724806 /nfs/dbraw/zinc/72/48/06/775724806.db2.gz UMLJYABACQDHIX-GFCCVEGCSA-N 0 3 265.313 1.631 20 5 CDBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813101618 776201505 /nfs/dbraw/zinc/20/15/05/776201505.db2.gz FPSOPYMPYXVRKO-QMMMGPOBSA-N 0 3 268.225 1.725 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000859570639 776300148 /nfs/dbraw/zinc/30/01/48/776300148.db2.gz GLDRYKLGCGSUOQ-ZDUSSCGKSA-N 0 3 280.324 1.597 20 5 CDBDHN CC(COC(=O)[C@H](C)n1ccc(C(F)(F)F)n1)[N+](=O)[O-] ZINC000870378811 776753033 /nfs/dbraw/zinc/75/30/33/776753033.db2.gz XSLDYJOFRUJAJP-RQJHMYQMSA-N 0 3 295.217 1.671 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCN1C ZINC000922573455 776870953 /nfs/dbraw/zinc/87/09/53/776870953.db2.gz AQUBOKVQBDGRTD-ZDUSSCGKSA-N 0 3 279.340 1.787 20 5 CDBDHN CC(COC(=O)c1ccc(-c2cnn(C)c2)o1)[N+](=O)[O-] ZINC000835453333 776873633 /nfs/dbraw/zinc/87/36/33/776873633.db2.gz AMYXQCJPQABGFX-QMMMGPOBSA-N 0 3 279.252 1.502 20 5 CDBDHN C[C@@]1(O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592618 776976931 /nfs/dbraw/zinc/97/69/31/776976931.db2.gz QZUUMXFZINNBJB-CHWSQXEVSA-N 0 3 266.297 1.085 20 5 CDBDHN Cc1nn(C)c2nc(C)cc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC000813103466 777002973 /nfs/dbraw/zinc/00/29/73/777002973.db2.gz BLGCGAFTUQLBEK-QMMMGPOBSA-N 0 3 292.295 1.407 20 5 CDBDHN Cc1c(Cl)c(C(=O)OCC(C)[N+](=O)[O-])nn1C ZINC000817739228 777221695 /nfs/dbraw/zinc/22/16/95/777221695.db2.gz IMIYMFXIMWTVBP-YFKPBYRVSA-N 0 3 261.665 1.204 20 5 CDBDHN CC1(C)CNC(=O)[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925383063 777368283 /nfs/dbraw/zinc/36/82/83/777368283.db2.gz QPKKGNKWGDQCMX-GFCCVEGCSA-N 0 3 293.323 1.088 20 5 CDBDHN COCc1csc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000851036435 777807156 /nfs/dbraw/zinc/80/71/56/777807156.db2.gz JKZCMGDNGMSCDK-ZETCQYMHSA-N 0 3 259.283 1.717 20 5 CDBDHN C[C@@H]1[C@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776597111 777847607 /nfs/dbraw/zinc/84/76/07/777847607.db2.gz HJIPJSSFBRMFFB-TYNCELHUSA-N 0 3 293.367 1.653 20 5 CDBDHN Cn1ncc(CCCNCc2ccc([N+](=O)[O-])cc2F)n1 ZINC000815144554 778083377 /nfs/dbraw/zinc/08/33/77/778083377.db2.gz JTJUKONFGSUFPI-UHFFFAOYSA-N 0 3 293.302 1.585 20 5 CDBDHN C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000856796742 778105302 /nfs/dbraw/zinc/10/53/02/778105302.db2.gz ZDIASTVDWADNEZ-OSAQELSMSA-N 0 3 294.351 1.579 20 5 CDBDHN CC(COC(=O)c1ccc(N2CCNC2=O)cc1)[N+](=O)[O-] ZINC000813105443 779510434 /nfs/dbraw/zinc/51/04/34/779510434.db2.gz ZLFJPCNKAABLMU-SECBINFHSA-N 0 3 293.279 1.038 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000886081077 780053510 /nfs/dbraw/zinc/05/35/10/780053510.db2.gz IPJOHDQHWONLGC-AAEUAGOBSA-N 0 3 277.324 1.848 20 5 CDBDHN C/C=C(/C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125438622 895492123 /nfs/dbraw/zinc/49/21/23/895492123.db2.gz WIDKSTXQBKVWSZ-JYOAFUTRSA-N 0 3 277.324 1.767 20 5 CDBDHN CCN1CCC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225629099 903402902 /nfs/dbraw/zinc/40/29/02/903402902.db2.gz DQVNOEUAOPMHOZ-JTQLQIEISA-N 0 3 251.286 1.853 20 5 CDBDHN CCC1([N-]c2ncnc(Cl)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168575860 919246764 /nfs/dbraw/zinc/24/67/64/919246764.db2.gz SSMJXTZNUKFBEH-UHFFFAOYSA-N 0 3 257.681 1.202 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ccn(CCF)n2)C1 ZINC001168995825 927602307 /nfs/dbraw/zinc/60/23/07/927602307.db2.gz TYQZGFLUMJKLSS-GHMZBOCLSA-N 0 3 270.308 1.388 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NC2(c3cnccn3)CC2)C1 ZINC001168997977 927602361 /nfs/dbraw/zinc/60/23/61/927602361.db2.gz GXKMEADAOMFKAY-QWRGUYRKSA-N 0 3 262.313 1.501 20 5 CDBDHN CCCc1cc(CN)nn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987904 927624077 /nfs/dbraw/zinc/62/40/77/927624077.db2.gz LEZMFTMBTNJZTG-MFKMUULPSA-N 0 3 266.345 1.912 20 5 CDBDHN C[C@H](N)c1ccn(-c2cc([N+](=O)[O-])c3nccn3c2)n1 ZINC001169233828 927850348 /nfs/dbraw/zinc/85/03/48/927850348.db2.gz SOWJPSNRNVRYQA-QMMMGPOBSA-N 0 3 272.268 1.448 20 5 CDBDHN O=C(CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000785856097 929183192 /nfs/dbraw/zinc/18/31/92/929183192.db2.gz DTOSUNOULZZLTL-UHFFFAOYSA-N 0 3 292.339 1.797 20 5 CDBDHN C[C@@H](N)c1ccn(-c2cnc3cc([N+](=O)[O-])ccc3n2)n1 ZINC001158348449 938612332 /nfs/dbraw/zinc/61/23/32/938612332.db2.gz HGPILQXKCQDBKB-MRVPVSSYSA-N 0 3 284.279 1.743 20 5 CDBDHN O=[N+]([O-])c1c[n-]c2ncnc(NCCCn3cc[nH+]c3)c12 ZINC001161682278 938919840 /nfs/dbraw/zinc/91/98/40/938919840.db2.gz LXGUQBIMKXVDRW-UHFFFAOYSA-N 0 3 287.283 1.516 20 5 CDBDHN COc1nc(N[C@@]2(C)CCCN(C)C2)ncc1[N+](=O)[O-] ZINC001162330770 939025666 /nfs/dbraw/zinc/02/56/66/939025666.db2.gz IWTUDMQUKQZZJN-LBPRGKRZSA-N 0 3 281.316 1.290 20 5 CDBDHN Cc1c(C)c(-n2ncc3c2CCNC3)ncc1[N+](=O)[O-] ZINC001165218374 939525797 /nfs/dbraw/zinc/52/57/97/939525797.db2.gz CFNRINJTNHABIU-UHFFFAOYSA-N 0 3 273.296 1.438 20 5 CDBDHN CN1CC[C@@H](Oc2nc3c(cccc3[N+](=O)[O-])o2)C1 ZINC001227236919 942155364 /nfs/dbraw/zinc/15/53/64/942155364.db2.gz BVBUAJWJNCPOPL-MRVPVSSYSA-N 0 3 263.253 1.819 20 5 CDBDHN CC(C)N1CC[C@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228654562 942348925 /nfs/dbraw/zinc/34/89/25/942348925.db2.gz LAXTYSNAYHKKBS-VIFPVBQESA-N 0 3 252.274 1.246 20 5 CDBDHN CN1CCC[C@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230369 942592401 /nfs/dbraw/zinc/59/24/01/942592401.db2.gz OSJYWQVRZHRUCN-QMMMGPOBSA-N 0 3 277.284 1.339 20 5 CDBDHN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCN(C)C1 ZINC001230247140 942594688 /nfs/dbraw/zinc/59/46/88/942594688.db2.gz DQJOQFZVQYKTMV-LLVKDONJSA-N 0 3 279.296 1.636 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])n1cc(CN)cnc1=N ZINC001254543770 947518372 /nfs/dbraw/zinc/51/83/72/947518372.db2.gz GYHPIQOFBMLFRD-SNVBAGLBSA-N 0 3 287.323 1.533 20 5 CDBDHN N[C@]1(C(F)(F)F)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246565441 948283388 /nfs/dbraw/zinc/28/33/88/948283388.db2.gz CANLKEXNCRGTHQ-LPEHRKFASA-N 0 3 281.278 1.397 20 5 CDBDHN CC1=NO[C@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335382682 954640883 /nfs/dbraw/zinc/64/08/83/954640883.db2.gz QLOPDCLMOLWWMN-QWHCGFSZSA-N 0 3 279.296 1.383 20 5 CDBDHN CC1=NO[C@@H](CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335382421 954641143 /nfs/dbraw/zinc/64/11/43/954641143.db2.gz QLOPDCLMOLWWMN-CHWSQXEVSA-N 0 3 279.296 1.383 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1NCCN1CCCCC1 ZINC001324269159 961274771 /nfs/dbraw/zinc/27/47/71/961274771.db2.gz WFKCGVLWGWNTGA-UHFFFAOYSA-N 0 3 264.329 1.618 20 5 CDBDHN CSCC[C@@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001340080468 962729052 /nfs/dbraw/zinc/72/90/52/962729052.db2.gz WEAUCNAYQZWTNN-SNVBAGLBSA-N 0 3 295.364 1.564 20 5 CDBDHN CC(COC(=O)c1ccc(-n2cccn2)c(F)c1)[N+](=O)[O-] ZINC001343372387 963962367 /nfs/dbraw/zinc/96/23/67/963962367.db2.gz YKYBXROANCBYCG-SECBINFHSA-N 0 3 293.254 1.833 20 5 CDBDHN Cc1cc(F)cc(C(=O)NOCCN(C)C)c1[N+](=O)[O-] ZINC001351013203 966829032 /nfs/dbraw/zinc/82/90/32/966829032.db2.gz PMEIRJRYJNCDRG-UHFFFAOYSA-N 0 3 285.275 1.265 20 5 CDBDHN COCC[C@@H](N)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001573978754 1170852991 /nfs/dbraw/zinc/85/29/91/1170852991.db2.gz XVQHHGYBGCOJIG-BXKDBHETSA-N 0 3 281.312 1.136 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)OC1CNC1 ZINC001578480863 1171930212 /nfs/dbraw/zinc/93/02/12/1171930212.db2.gz MODGRBPBBVCDCH-UHFFFAOYSA-N 0 3 279.296 1.178 20 5 CDBDHN CC[C@@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592558743 342709593 /nfs/dbraw/zinc/70/95/93/342709593.db2.gz ZTAXKMHPYVZRRJ-GFCCVEGCSA-N 0 3 277.324 1.823 20 5 CDBDHN CCCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592830994 342741456 /nfs/dbraw/zinc/74/14/56/342741456.db2.gz KBNHQCZNOXPWAO-SNVBAGLBSA-N 0 3 295.343 1.183 20 5 CDBDHN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCN(C)C1 ZINC000592830994 342741458 /nfs/dbraw/zinc/74/14/58/342741458.db2.gz KBNHQCZNOXPWAO-SNVBAGLBSA-N 0 3 295.343 1.183 20 5 CDBDHN C[C@@H](N[C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593718732 342828623 /nfs/dbraw/zinc/82/86/23/342828623.db2.gz QBZFESTWGYRGPA-MWLCHTKSSA-N 0 3 256.277 1.966 20 5 CDBDHN C[C@H](CO)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594501981 342914554 /nfs/dbraw/zinc/91/45/54/342914554.db2.gz ACGHQCOXOWXLFQ-JOYOIKCWSA-N 0 3 250.298 1.800 20 5 CDBDHN O=C1NCCC[C@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516802 342917173 /nfs/dbraw/zinc/91/71/73/342917173.db2.gz FKKAEOKRRBVCDF-GXFFZTMASA-N 0 3 289.335 1.698 20 5 CDBDHN COCC[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041149 342998413 /nfs/dbraw/zinc/99/84/13/342998413.db2.gz YSLFNAHKPJWEQZ-QWRGUYRKSA-N 0 3 298.339 1.651 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CNC(=O)C1 ZINC000595043785 342998670 /nfs/dbraw/zinc/99/86/70/342998670.db2.gz AFAASPPPNYSJCO-UWVGGRQHSA-N 0 3 293.323 1.390 20 5 CDBDHN CC(C)C1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000619506668 349757238 /nfs/dbraw/zinc/75/72/38/349757238.db2.gz FEKGPKMGRIHEDG-CYBMUJFWSA-N 0 3 294.351 1.922 20 5 CDBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000596110602 343230062 /nfs/dbraw/zinc/23/00/62/343230062.db2.gz QPAVXFQNYPFAIZ-MRVPVSSYSA-N 0 3 266.301 1.590 20 5 CDBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000596110602 343230065 /nfs/dbraw/zinc/23/00/65/343230065.db2.gz QPAVXFQNYPFAIZ-MRVPVSSYSA-N 0 3 266.301 1.590 20 5 CDBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000596238592 343283679 /nfs/dbraw/zinc/28/36/79/343283679.db2.gz VVKLZSGEGXQPJF-MRVPVSSYSA-N 0 3 254.290 1.305 20 5 CDBDHN Cc1nn(C)c(N2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376261179 282272526 /nfs/dbraw/zinc/27/25/26/282272526.db2.gz XYYGASOXOVASEC-ZYHUDNBSSA-N 0 3 293.371 1.700 20 5 CDBDHN Cc1c(C(=O)N2CCN3CC[C@H]2C3)cccc1[N+](=O)[O-] ZINC000597710640 343607302 /nfs/dbraw/zinc/60/73/02/343607302.db2.gz XHACHWOQWNJAKU-NSHDSACASA-N 0 3 275.308 1.433 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000457223202 365795046 /nfs/dbraw/zinc/79/50/46/365795046.db2.gz PCDDPKFGUXJEPQ-UHFFFAOYSA-N 0 3 295.339 1.430 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000598342017 343770843 /nfs/dbraw/zinc/77/08/43/343770843.db2.gz JVVSQQDCUNSDQV-LBPRGKRZSA-N 0 3 295.314 1.948 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000598341996 343770872 /nfs/dbraw/zinc/77/08/72/343770872.db2.gz ATUKAJMPEKMWEM-JTQLQIEISA-N 0 3 280.328 1.147 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2COC[C@@H]2C1 ZINC000601971454 344300492 /nfs/dbraw/zinc/30/04/92/344300492.db2.gz BSJHLTIEZKQSAI-TXEJJXNPSA-N 0 3 278.308 1.552 20 5 CDBDHN CCN[C@@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000602442514 344430401 /nfs/dbraw/zinc/43/04/01/344430401.db2.gz CBFNLDNJMAMDAK-JTQLQIEISA-N 0 3 265.313 1.551 20 5 CDBDHN CCN[C@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000602437663 344416604 /nfs/dbraw/zinc/41/66/04/344416604.db2.gz ISPOASPKZONUTG-SNVBAGLBSA-N 0 3 280.328 1.121 20 5 CDBDHN COc1ccc(CN[C@@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602525794 344453913 /nfs/dbraw/zinc/45/39/13/344453913.db2.gz BIGXVMGFLOHBMQ-LLVKDONJSA-N 0 3 293.323 1.362 20 5 CDBDHN COc1ccc(CN[C@H]2CCCNC(=O)C2)cc1[N+](=O)[O-] ZINC000602525795 344453951 /nfs/dbraw/zinc/45/39/51/344453951.db2.gz BIGXVMGFLOHBMQ-NSHDSACASA-N 0 3 293.323 1.362 20 5 CDBDHN O=C1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000602586451 344477272 /nfs/dbraw/zinc/47/72/72/344477272.db2.gz BWLKAMSHUQHQKZ-LBPRGKRZSA-N 0 3 289.335 1.490 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)c1c([N+](=O)[O-])ncn1C ZINC000265224803 362450643 /nfs/dbraw/zinc/45/06/43/362450643.db2.gz PGEYBWXUZNRBJA-JTQLQIEISA-N 0 3 267.333 1.106 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000602831147 344614234 /nfs/dbraw/zinc/61/42/34/344614234.db2.gz HCXTZZZFQRAYGP-PHIMTYICSA-N 0 3 281.360 1.124 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C)[C@H]1CO ZINC000602990533 344681592 /nfs/dbraw/zinc/68/15/92/344681592.db2.gz XPJIGGLQRVSBGP-ZYHUDNBSSA-N 0 3 282.344 1.193 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](n2cccn2)C1 ZINC000602836737 344618882 /nfs/dbraw/zinc/61/88/82/344618882.db2.gz HLLWKKAVGGITRY-LBPRGKRZSA-N 0 3 290.327 1.243 20 5 CDBDHN CC[C@H]1CN(CC)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602839177 344620757 /nfs/dbraw/zinc/62/07/57/344620757.db2.gz IJWXBDHJZGDTLR-ZDUSSCGKSA-N 0 3 295.387 1.516 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](O)CC2)c1 ZINC000293029488 362526299 /nfs/dbraw/zinc/52/62/99/362526299.db2.gz GDSQWIVEERXHHT-ZDUSSCGKSA-N 0 3 280.324 1.820 20 5 CDBDHN CC(C)N(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000052875606 345307186 /nfs/dbraw/zinc/30/71/86/345307186.db2.gz VYKFNJLKAIMNMS-UHFFFAOYSA-N 0 3 294.355 1.463 20 5 CDBDHN C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057719218 347086728 /nfs/dbraw/zinc/08/67/28/347086728.db2.gz CRECXCUABUWXMG-NSHDSACASA-N 0 3 291.351 1.736 20 5 CDBDHN Cc1nn(C)c(N2CCCN(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609560637 345807736 /nfs/dbraw/zinc/80/77/36/345807736.db2.gz AVKVMXIVFSZYIM-UHFFFAOYSA-N 0 3 295.387 1.947 20 5 CDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000609876902 346030133 /nfs/dbraw/zinc/03/01/33/346030133.db2.gz IABXGYVXRNVBKL-JTQLQIEISA-N 0 3 280.328 1.527 20 5 CDBDHN CN(C)CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000206096384 347674184 /nfs/dbraw/zinc/67/41/84/347674184.db2.gz MAKANEYAGOZLAG-SREVYHEPSA-N 0 3 263.297 1.286 20 5 CDBDHN COC[C@H](O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090949679 180071989 /nfs/dbraw/zinc/07/19/89/180071989.db2.gz UDQSBWWDMZQRRT-WCQYABFASA-N 0 3 282.340 1.951 20 5 CDBDHN CCN(C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000122847338 187055209 /nfs/dbraw/zinc/05/52/09/187055209.db2.gz WZJMSNURFCEWBP-UHFFFAOYSA-N 0 3 279.340 1.514 20 5 CDBDHN C[C@H]1C[C@@H](O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000292118973 198170342 /nfs/dbraw/zinc/17/03/42/198170342.db2.gz AHRYTBZSTFZVQL-FZMZJTMJSA-N 0 3 264.325 1.983 20 5 CDBDHN COCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000152432880 188018684 /nfs/dbraw/zinc/01/86/84/188018684.db2.gz WVFDGFQKOHSNHR-UHFFFAOYSA-N 0 3 295.339 1.293 20 5 CDBDHN Cn1cncc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000388408656 357167742 /nfs/dbraw/zinc/16/77/42/357167742.db2.gz VNTMPRBGBYDZAC-UHFFFAOYSA-N 0 3 276.296 1.497 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000186750394 357684340 /nfs/dbraw/zinc/68/43/40/357684340.db2.gz ITYFZROEGWXQHQ-UHFFFAOYSA-N 0 3 283.353 1.823 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)CN(C)C1CC1 ZINC000290871250 358691524 /nfs/dbraw/zinc/69/15/24/358691524.db2.gz ZSJBOULGATTXCJ-LBPRGKRZSA-N 0 3 296.323 1.437 20 5 CDBDHN CC(C)[C@H](CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000342233381 358970742 /nfs/dbraw/zinc/97/07/42/358970742.db2.gz SJZNIPZCBMAPLF-LBPRGKRZSA-N 0 3 252.314 1.949 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1N[C@@H](CO)CN1CCCCC1 ZINC000288826598 359403333 /nfs/dbraw/zinc/40/33/33/359403333.db2.gz BESDKRIHIAQIKE-GFCCVEGCSA-N 0 3 297.330 1.993 20 5 CDBDHN CCC[C@](C)(N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015970 359561028 /nfs/dbraw/zinc/56/10/28/359561028.db2.gz FYDVHLRRAVMMFP-ZDUSSCGKSA-N 0 3 265.313 1.729 20 5 CDBDHN COCCN(CCN(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000289558346 359619385 /nfs/dbraw/zinc/61/93/85/359619385.db2.gz YHHFNXKALUMQFM-UHFFFAOYSA-N 0 3 287.385 1.666 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CNCCO1 ZINC000134267929 359840716 /nfs/dbraw/zinc/84/07/16/359840716.db2.gz ISEAXDYTUXJLDF-SECBINFHSA-N 0 3 271.704 1.649 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000176375286 360254888 /nfs/dbraw/zinc/25/48/88/360254888.db2.gz WEANZEWFKXWZPX-JTQLQIEISA-N 0 3 295.339 1.417 20 5 CDBDHN CN(C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000035099599 361240696 /nfs/dbraw/zinc/24/06/96/361240696.db2.gz YTGGVCAFHJHHAJ-UHFFFAOYSA-N 0 3 255.303 1.278 20 5 CDBDHN CCCN(C)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000063755921 363961873 /nfs/dbraw/zinc/96/18/73/363961873.db2.gz HIDBBYSANCAWKE-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN Cc1ccc(CN[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000168212395 364118053 /nfs/dbraw/zinc/11/80/53/364118053.db2.gz LJKLIDKQMPGHNV-XTZNXHDOSA-N 0 3 270.354 1.760 20 5 CDBDHN CC(C)(C)N1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000545483777 364257546 /nfs/dbraw/zinc/25/75/46/364257546.db2.gz PAOZFFJLMGWVOQ-UHFFFAOYSA-N 0 3 279.344 1.695 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178025 364393358 /nfs/dbraw/zinc/39/33/58/364393358.db2.gz SAYZXCVHJIPVTD-BXKDBHETSA-N 0 3 262.313 1.884 20 5 CDBDHN COc1cc(N(C)CCN(C)C)c(F)cc1[N+](=O)[O-] ZINC000271076263 366962967 /nfs/dbraw/zinc/96/29/67/366962967.db2.gz HAGBIPDVIVZKGQ-UHFFFAOYSA-N 0 3 271.292 1.740 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCOC[C@H](C3CCC3)C2)n1 ZINC000367823354 370922792 /nfs/dbraw/zinc/92/27/92/370922792.db2.gz OJKLGUINRBKZLV-CYBMUJFWSA-N 0 3 294.355 1.540 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN[C@H](C)C1 ZINC000420340188 244111858 /nfs/dbraw/zinc/11/18/58/244111858.db2.gz SCHLIXAPAWQFKX-LLVKDONJSA-N 0 3 292.339 1.135 20 5 CDBDHN COC(=O)c1cnc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000276563827 193382332 /nfs/dbraw/zinc/38/23/32/193382332.db2.gz MBUYENBFOKEKKN-UHFFFAOYSA-N 0 3 294.311 1.283 20 5 CDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[C@H](F)CN1 ZINC000368202103 371908146 /nfs/dbraw/zinc/90/81/46/371908146.db2.gz ODVZEHSZKVPIHS-NDYVEPOPSA-N 0 3 293.298 1.424 20 5 CDBDHN Cc1nc(NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000161535455 374179844 /nfs/dbraw/zinc/17/98/44/374179844.db2.gz IGXFYKRKRLHPGB-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN C[C@@]1(F)CNCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420331309 374294386 /nfs/dbraw/zinc/29/43/86/374294386.db2.gz MFCNHPWUJGLFFE-CYBMUJFWSA-N 0 3 285.294 1.867 20 5 CDBDHN CN(C)CCN(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000080391889 374464979 /nfs/dbraw/zinc/46/49/79/374464979.db2.gz QQXQJVZHOFUDFD-UHFFFAOYSA-N 0 3 294.355 1.417 20 5 CDBDHN Cc1ccc(CN2CC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000377846530 374620972 /nfs/dbraw/zinc/62/09/72/374620972.db2.gz CRIJUXKKPQVIJP-LBPRGKRZSA-N 0 3 277.324 1.601 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351952733 374699358 /nfs/dbraw/zinc/69/93/58/374699358.db2.gz XCTLWHXGGOBVLV-ZWNOBZJWSA-N 0 3 266.297 1.286 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@H]2CCCN2CCCO)cs1 ZINC000449390293 374806041 /nfs/dbraw/zinc/80/60/41/374806041.db2.gz VTWMULBREPOHHK-GFCCVEGCSA-N 0 3 299.396 1.593 20 5 CDBDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000277393076 374786583 /nfs/dbraw/zinc/78/65/83/374786583.db2.gz GLTPHEREIXOSBO-LBPRGKRZSA-N 0 3 294.355 1.903 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330582629 374867984 /nfs/dbraw/zinc/86/79/84/374867984.db2.gz KAZKGVDRCMWGIR-OLZOCXBDSA-N 0 3 293.367 1.998 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)COCC2CC2)cc1 ZINC000037894564 374967366 /nfs/dbraw/zinc/96/73/66/374967366.db2.gz UMOUFTFYHQLSST-AWEZNQCLSA-N 0 3 280.324 1.472 20 5 CDBDHN C[C@H](NC[C@H](CO)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000280200397 374986412 /nfs/dbraw/zinc/98/64/12/374986412.db2.gz BKHZFDLLGLVOAX-FPMFFAJLSA-N 0 3 294.351 1.890 20 5 CDBDHN Cc1c(CN(C)C2CC(O)C2)cccc1[N+](=O)[O-] ZINC000332441292 375032401 /nfs/dbraw/zinc/03/24/01/375032401.db2.gz JYRZZRMAMCNZHO-UHFFFAOYSA-N 0 3 250.298 1.858 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170977803 375146408 /nfs/dbraw/zinc/14/64/08/375146408.db2.gz FFENUJDIARGOHP-SECBINFHSA-N 0 3 283.353 1.728 20 5 CDBDHN C[C@@H]1CSC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000352815504 375541148 /nfs/dbraw/zinc/54/11/48/375541148.db2.gz KQOYMNRBXZUMQH-SFYZADRCSA-N 0 3 256.331 1.169 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N(C)C1 ZINC000344830138 375550591 /nfs/dbraw/zinc/55/05/91/375550591.db2.gz RBGYOILXVFERHE-ASJRZHAZSA-N 0 3 289.335 1.818 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)C1CC1 ZINC000353071408 375574278 /nfs/dbraw/zinc/57/42/78/375574278.db2.gz JMCBYUBSFQNKCG-GFCCVEGCSA-N 0 3 250.298 1.703 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000353367553 375600716 /nfs/dbraw/zinc/60/07/16/375600716.db2.gz ZYOLDIUVQKVHCS-UHFFFAOYSA-N 0 3 293.367 1.483 20 5 CDBDHN Cc1ccc(CNC[C@@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433179323 248002224 /nfs/dbraw/zinc/00/22/24/248002224.db2.gz HMSDETPSMCDFAZ-LBPRGKRZSA-N 0 3 277.324 1.662 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@@H]1CCCN1CCCO ZINC000450592900 251355595 /nfs/dbraw/zinc/35/55/95/251355595.db2.gz HXLWTJVSZXKPEZ-NSHDSACASA-N 0 3 280.328 1.249 20 5 CDBDHN CC(C)[C@@](C)(NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289383000 197320946 /nfs/dbraw/zinc/32/09/46/197320946.db2.gz QFYMZVASYFDWAQ-CQSZACIVSA-N 0 3 295.339 1.463 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493103408 253371358 /nfs/dbraw/zinc/37/13/58/253371358.db2.gz HELLXKBMCWHREA-WDDYJBPVSA-N 0 3 277.324 1.674 20 5 CDBDHN CCN1CC[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000354354678 285371242 /nfs/dbraw/zinc/37/12/42/285371242.db2.gz VJCWINZSZZDHMN-WDEREUQCSA-N 0 3 281.360 1.637 20 5 CDBDHN CC(C)(NC[C@@H]1COCCO1)c1ccccc1[N+](=O)[O-] ZINC000451052968 390591080 /nfs/dbraw/zinc/59/10/80/390591080.db2.gz GRTUWJPLJKGVGV-LLVKDONJSA-N 0 3 280.324 1.835 20 5 CDBDHN CNC(=O)CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544038 390630250 /nfs/dbraw/zinc/63/02/50/390630250.db2.gz DCDJQUWVDWZTOM-CYBMUJFWSA-N 0 3 291.351 1.910 20 5 CDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449659501 391221093 /nfs/dbraw/zinc/22/10/93/391221093.db2.gz VUGXSNBPMJYPBY-SNVBAGLBSA-N 0 3 285.250 1.322 20 5 CDBDHN CCNC(=O)[C@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247643 391661843 /nfs/dbraw/zinc/66/18/43/391661843.db2.gz GAKAUWDGACWMDP-QWRGUYRKSA-N 0 3 279.340 1.640 20 5 CDBDHN CCNC(=O)[C@@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247644 391662069 /nfs/dbraw/zinc/66/20/69/391662069.db2.gz GAKAUWDGACWMDP-WDEREUQCSA-N 0 3 279.340 1.640 20 5 CDBDHN C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000189725726 130016600 /nfs/dbraw/zinc/01/66/00/130016600.db2.gz WRWNJOPTJRYZSN-GXFFZTMASA-N 0 3 250.298 1.798 20 5 CDBDHN Cc1cc(N2CCN(C)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000348174225 391802249 /nfs/dbraw/zinc/80/22/49/391802249.db2.gz BLURBRJURIHHLS-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@H](O)C2CCC2)cs1 ZINC000316668798 391962515 /nfs/dbraw/zinc/96/25/15/391962515.db2.gz XVFKNDYOYSDCOU-JTQLQIEISA-N 0 3 256.327 1.907 20 5 CDBDHN Cc1sc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000237639983 131049802 /nfs/dbraw/zinc/04/98/02/131049802.db2.gz CITPOSUKBVYRIR-YUMQZZPRSA-N 0 3 283.353 1.787 20 5 CDBDHN CCOC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000459696477 392499111 /nfs/dbraw/zinc/49/91/11/392499111.db2.gz BFKFVAZWTCOWPJ-LBPRGKRZSA-N 0 3 282.344 1.682 20 5 CDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000270899570 392510755 /nfs/dbraw/zinc/51/07/55/392510755.db2.gz RXFLWYLIYGZAEN-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN CC(C)(NCCC(=O)NC(N)=O)c1ccccc1[N+](=O)[O-] ZINC000298428097 392699632 /nfs/dbraw/zinc/69/96/32/392699632.db2.gz PYZITRZROPQTPE-UHFFFAOYSA-N 0 3 294.311 1.005 20 5 CDBDHN Cc1nc(N(C)[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000268520111 132021386 /nfs/dbraw/zinc/02/13/86/132021386.db2.gz UVFILGNFKFEIRJ-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN Cc1c([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cnn1C ZINC000180965816 148171171 /nfs/dbraw/zinc/17/11/71/148171171.db2.gz GTKLVSMBTWUDDV-SECBINFHSA-N 0 3 278.316 1.184 20 5 CDBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000352223629 155036506 /nfs/dbraw/zinc/03/65/06/155036506.db2.gz XGSDGCASRSZZRG-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@@H]1CCCN(C)C1 ZINC000360918068 158671374 /nfs/dbraw/zinc/67/13/74/158671374.db2.gz FLGSRQAKBQZSJI-GFCCVEGCSA-N 0 3 295.387 1.898 20 5 CDBDHN CO[C@H](C)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704348 196372894 /nfs/dbraw/zinc/37/28/94/196372894.db2.gz ONGLHRQNXURQHK-MFKMUULPSA-N 0 3 268.313 1.595 20 5 CDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285781230 196396486 /nfs/dbraw/zinc/39/64/86/196396486.db2.gz KCYZHSHCYGXMQK-SECBINFHSA-N 0 3 295.343 1.120 20 5 CDBDHN C[C@@H](CC(N)=O)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582110 274207844 /nfs/dbraw/zinc/20/78/44/274207844.db2.gz XZECIVWUHIUWNP-ZANVPECISA-N 0 3 277.324 1.826 20 5 CDBDHN C[C@@H](CN(C)C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000343798765 274212621 /nfs/dbraw/zinc/21/26/21/274212621.db2.gz WHPDLFSKRQNCBL-VIFPVBQESA-N 0 3 275.312 1.900 20 5 CDBDHN CN1CC[C@@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292192384 277161170 /nfs/dbraw/zinc/16/11/70/277161170.db2.gz GENSOUIFJJTGEH-CYBMUJFWSA-N 0 3 262.313 1.522 20 5 CDBDHN COC[C@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279081479 277603172 /nfs/dbraw/zinc/60/31/72/277603172.db2.gz MQIHZYWAIRYMJE-BXUZGUMPSA-N 0 3 294.351 1.914 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000261628831 278844568 /nfs/dbraw/zinc/84/45/68/278844568.db2.gz AYUWNWLVOHCFRZ-JGVFFNPUSA-N 0 3 293.352 1.786 20 5 CDBDHN CC[C@H](N[C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268827830 288086309 /nfs/dbraw/zinc/08/63/09/288086309.db2.gz LSIAVEBYXHRECL-AAEUAGOBSA-N 0 3 277.324 1.866 20 5 CDBDHN CN1CC[C@@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527474449 281141947 /nfs/dbraw/zinc/14/19/47/281141947.db2.gz VTHDEPWRDRSPNV-MRVPVSSYSA-N 0 3 267.260 1.624 20 5 CDBDHN Cc1cnc(N2CCO[C@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000266228954 281607274 /nfs/dbraw/zinc/60/72/74/281607274.db2.gz SSHIRQUDMKWRIZ-LLVKDONJSA-N 0 3 280.328 1.065 20 5 CDBDHN COCC[C@@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123907 316744021 /nfs/dbraw/zinc/74/40/21/316744021.db2.gz VFFMKBSZMZQUOA-GXFFZTMASA-N 0 3 280.324 1.569 20 5 CDBDHN C[S@](=O)C1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000380260799 323613160 /nfs/dbraw/zinc/61/31/60/323613160.db2.gz UYEQQEPKJRBEGT-SFHVURJKSA-N 0 3 268.338 1.596 20 5 CDBDHN CCN(C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579104050 324104059 /nfs/dbraw/zinc/10/40/59/324104059.db2.gz JMJVQQOUEYYVNN-LLVKDONJSA-N 0 3 279.340 1.766 20 5 CDBDHN CN1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049070000 523850385 /nfs/dbraw/zinc/85/03/85/523850385.db2.gz DQTBAZKSXBFXSK-LBPRGKRZSA-N 0 3 278.312 1.811 20 5 CDBDHN CN1CCN(CCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000020128510 523900376 /nfs/dbraw/zinc/90/03/76/523900376.db2.gz GPQTXJPQGYCSME-UHFFFAOYSA-N 0 3 292.383 1.322 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](CO)C1 ZINC000183311971 525562638 /nfs/dbraw/zinc/56/26/38/525562638.db2.gz HFNVDTZHOKGFAZ-LLVKDONJSA-N 0 3 250.298 1.717 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1CO ZINC000052617024 527403920 /nfs/dbraw/zinc/40/39/20/527403920.db2.gz GWUQVHDWMQKDCY-GFCCVEGCSA-N 0 3 280.324 1.820 20 5 CDBDHN CCCc1n[nH]c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000153949776 528547101 /nfs/dbraw/zinc/54/71/01/528547101.db2.gz AHZPLRZQHWECIH-DTORHVGOSA-N 0 3 295.343 1.093 20 5 CDBDHN CCCc1[nH]nc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000153949776 528547106 /nfs/dbraw/zinc/54/71/06/528547106.db2.gz AHZPLRZQHWECIH-DTORHVGOSA-N 0 3 295.343 1.093 20 5 CDBDHN CCN(CC)CCOC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000768511878 576291777 /nfs/dbraw/zinc/29/17/77/576291777.db2.gz NPLQJOKSUPBROO-UHFFFAOYSA-N 0 3 281.312 1.676 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000768774543 576307461 /nfs/dbraw/zinc/30/74/61/576307461.db2.gz VESSYSFSXLBABD-JMSVASOKSA-N 0 3 293.367 1.653 20 5 CDBDHN C[C@]1(CO)CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759900335 576441952 /nfs/dbraw/zinc/44/19/52/576441952.db2.gz GCLDIHJQXOMYBM-UONOGXRCSA-N 0 3 280.324 1.475 20 5 CDBDHN CC(C)[C@H](CN(C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000742075308 576580740 /nfs/dbraw/zinc/58/07/40/576580740.db2.gz UXJLOUXEEMZEKX-AWEZNQCLSA-N 0 3 293.367 1.840 20 5 CDBDHN CC(COC(=O)CC[C@@H]1CC(C)(C)CO1)[N+](=O)[O-] ZINC000893047232 618099652 /nfs/dbraw/zinc/09/96/52/618099652.db2.gz KNMRCWGOEBEJKF-NXEZZACHSA-N 0 3 259.302 1.790 20 5 CDBDHN COc1c(O)ccc(CNC[C@H]2CC[C@H](C)O2)c1[N+](=O)[O-] ZINC000894815948 619072299 /nfs/dbraw/zinc/07/22/99/619072299.db2.gz BUAOGNMFFGQGLH-GXSJLCMTSA-N 0 3 296.323 1.966 20 5 CDBDHN CO[C@@](C)(CNCC[N+](=O)[O-])COCc1ccccc1 ZINC000899893928 622515518 /nfs/dbraw/zinc/51/55/18/622515518.db2.gz XDSXZHULZHMRKG-AWEZNQCLSA-N 0 3 282.340 1.475 20 5 CDBDHN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCC[N+](=O)[O-] ZINC000905102123 626620652 /nfs/dbraw/zinc/62/06/52/626620652.db2.gz QUVXJYRKIYZIBV-SNVBAGLBSA-N 0 3 273.333 1.252 20 5 CDBDHN O=[N+]([O-])CCN[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000905278524 626733032 /nfs/dbraw/zinc/73/30/32/626733032.db2.gz IFGQNFUNOBWESW-NWDGAFQWSA-N 0 3 251.286 1.168 20 5 CDBDHN Cc1cc(N[C@H](C)[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001170566054 1162931455 /nfs/dbraw/zinc/93/14/55/1162931455.db2.gz DMOHFSGWEDHZLX-KOLCDFICSA-N 0 3 266.301 1.087 20 5 CDBDHN COc1nc(C)c(N[C@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569401 1162948515 /nfs/dbraw/zinc/94/85/15/1162948515.db2.gz RTYZLHPBCSHTPJ-SKDRFNHKSA-N 0 3 296.327 1.096 20 5 CDBDHN COc1nc(C)c(N[C@@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569399 1162948321 /nfs/dbraw/zinc/94/83/21/1162948321.db2.gz RTYZLHPBCSHTPJ-JOYOIKCWSA-N 0 3 296.327 1.096 20 5 CDBDHN NCc1nn(-c2cccnc2[N+](=O)[O-])c2ccccc12 ZINC001167697481 1159486788 /nfs/dbraw/zinc/48/67/88/1159486788.db2.gz BGCAAQSAZLSZKW-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN COC(=O)c1cc(NC(=O)C2(N)CC2)c(C)c([N+](=O)[O-])c1 ZINC001573938812 1170834899 /nfs/dbraw/zinc/83/48/99/1170834899.db2.gz SAMNXKVTTILSEY-UHFFFAOYSA-N 0 3 293.279 1.120 20 5 CDBDHN COCCOCCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808791587 780848286 /nfs/dbraw/zinc/84/82/86/780848286.db2.gz FBTVLMJFRVKZJU-CQSZACIVSA-N 0 3 298.339 1.223 20 5 CDBDHN Cc1nn(CN2CCN(C)C[C@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000246963383 780916863 /nfs/dbraw/zinc/91/68/63/780916863.db2.gz GHNIUBYKEIVACZ-ZDUSSCGKSA-N 0 3 295.387 1.638 20 5 CDBDHN Cc1cccc(NCCN(C)CCO)c1[N+](=O)[O-] ZINC000884825344 781105829 /nfs/dbraw/zinc/10/58/29/781105829.db2.gz QZDLFSDBCWYQQF-UHFFFAOYSA-N 0 3 253.302 1.239 20 5 CDBDHN CC(COC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)[N+](=O)[O-] ZINC000813105934 783462580 /nfs/dbraw/zinc/46/25/80/783462580.db2.gz VRHZAYXVZHHYPQ-SECBINFHSA-N 0 3 295.295 1.073 20 5 CDBDHN CC(COC(=O)[C@H](C)OCc1ccc(F)cc1)[N+](=O)[O-] ZINC000835453393 783518921 /nfs/dbraw/zinc/51/89/21/783518921.db2.gz BUOPUXTYNZUHMW-UWVGGRQHSA-N 0 3 285.271 1.939 20 5 CDBDHN Nc1cc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)ccn1 ZINC001167616475 897054431 /nfs/dbraw/zinc/05/44/31/897054431.db2.gz JBJOJJPMTQRABT-UHFFFAOYSA-N 0 3 285.307 1.787 20 5 CDBDHN COc1cc(CNC[C@@H]2CCN2C)c([N+](=O)[O-])cc1OC ZINC000922573895 921677184 /nfs/dbraw/zinc/67/71/84/921677184.db2.gz GPXBHMDOPQHVDH-NSHDSACASA-N 0 3 295.339 1.406 20 5 CDBDHN CNC(=O)CN(C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907748 912036510 /nfs/dbraw/zinc/03/65/10/912036510.db2.gz HWPRWJQHWQNNSZ-ZDUSSCGKSA-N 0 3 291.351 1.520 20 5 CDBDHN O=C(/C=C\C1CC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125237289 936358612 /nfs/dbraw/zinc/35/86/12/936358612.db2.gz RBWSSECUNSXBLS-YVMONPNESA-N 0 3 289.335 1.767 20 5 CDBDHN CO[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000831535743 936516085 /nfs/dbraw/zinc/51/60/85/936516085.db2.gz ZJECXRDCRVGVDN-TUKIKUTGSA-N 0 3 294.351 1.985 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](N)CC(F)F)CC2 ZINC000843495259 937156618 /nfs/dbraw/zinc/15/66/18/937156618.db2.gz PYPBZZFHWVKGRI-SECBINFHSA-N 0 3 299.277 1.775 20 5 CDBDHN Cc1ccc(CN)nc1N(C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963217 927584502 /nfs/dbraw/zinc/58/45/02/927584502.db2.gz OTOOUYJEWAYDJY-AAEUAGOBSA-N 0 3 278.356 1.730 20 5 CDBDHN Cc1cc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)nn1C ZINC001168973881 927596741 /nfs/dbraw/zinc/59/67/41/927596741.db2.gz PGRYLQSZYIMRTG-WDEREUQCSA-N 0 3 252.318 1.264 20 5 CDBDHN Cc1cc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)nn1C ZINC001168973879 927597145 /nfs/dbraw/zinc/59/71/45/927597145.db2.gz PGRYLQSZYIMRTG-MNOVXSKESA-N 0 3 252.318 1.264 20 5 CDBDHN CC(=O)[C@@H]1CCCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039102 927649747 /nfs/dbraw/zinc/64/97/47/927649747.db2.gz NBNCSICQZRUVLF-AGIUHOORSA-N 0 3 254.330 1.875 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCCC3(C2)OCCO3)C1 ZINC001169038921 927650783 /nfs/dbraw/zinc/65/07/83/927650783.db2.gz LJTQYMRQHAWDJZ-VXGBXAGGSA-N 0 3 270.329 1.271 20 5 CDBDHN CN(CCOCC1CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592981 927786288 /nfs/dbraw/zinc/78/62/88/927786288.db2.gz SHPJBWICXYSLTA-OAHLLOKOSA-N 0 3 294.351 1.987 20 5 CDBDHN CC[C@H](C)[C@H](Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(N)=O ZINC001169157389 927790461 /nfs/dbraw/zinc/79/04/61/927790461.db2.gz WNANTELBGQHSLU-SDBXPKJASA-N 0 3 292.339 1.510 20 5 CDBDHN CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776597415 927793635 /nfs/dbraw/zinc/79/36/35/927793635.db2.gz LFYKCLCWSOSTQL-CQSZACIVSA-N 0 3 293.367 1.654 20 5 CDBDHN COc1ncc([N+](=O)[O-])cc1-n1ccc([C@@H](C)N)n1 ZINC001169231551 927842951 /nfs/dbraw/zinc/84/29/51/927842951.db2.gz MLOHTXJJWOUAOK-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN Cn1c(C(=O)NCCN2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000890079655 931405809 /nfs/dbraw/zinc/40/58/09/931405809.db2.gz HVCRJTLACYIIHM-UHFFFAOYSA-N 0 3 294.355 1.395 20 5 CDBDHN Cc1nccn1-c1ccccc1CNCC[N+](=O)[O-] ZINC001120472073 937801654 /nfs/dbraw/zinc/80/16/54/937801654.db2.gz BQJXMNYSTZTMCC-UHFFFAOYSA-N 0 3 260.297 1.547 20 5 CDBDHN NCc1cn(-c2cc([N+](=O)[O-])cc3cc[nH]c32)cn1 ZINC001162302020 938975062 /nfs/dbraw/zinc/97/50/62/938975062.db2.gz HUDPIYXLPZEYFX-UHFFFAOYSA-N 0 3 257.253 1.721 20 5 CDBDHN COc1c(F)cc(-n2nc(CN)cc2C)cc1[N+](=O)[O-] ZINC001163985357 939372711 /nfs/dbraw/zinc/37/27/11/939372711.db2.gz NQPYYRJMCYLPIE-UHFFFAOYSA-N 0 3 280.259 1.695 20 5 CDBDHN O=[N+]([O-])c1ccc2c(ccnc2-n2cnc3c2CNCC3)c1 ZINC001164317192 939454034 /nfs/dbraw/zinc/45/40/34/939454034.db2.gz OLVINQVJALIBTP-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN Cc1cc2nc(O[C@H]3CC[N@@H+](C)C3)[n-]c2cc1[N+](=O)[O-] ZINC001228672484 942353705 /nfs/dbraw/zinc/35/37/05/942353705.db2.gz VXCLEJYJYNAMSW-VIFPVBQESA-N 0 3 276.296 1.862 20 5 CDBDHN Cc1cc2nc(O[C@H]3CC[N@H+](C)C3)[n-]c2cc1[N+](=O)[O-] ZINC001228672484 942353709 /nfs/dbraw/zinc/35/37/09/942353709.db2.gz VXCLEJYJYNAMSW-VIFPVBQESA-N 0 3 276.296 1.862 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCC(O)CC1)C2 ZINC001254600258 947549139 /nfs/dbraw/zinc/54/91/39/947549139.db2.gz ROOUYSPRYIZIKP-ZDUSSCGKSA-N 0 3 262.309 1.519 20 5 CDBDHN Cc1cc(NC(=O)[C@H](N)C2CCC2)cc([N+](=O)[O-])c1 ZINC001342243954 963684794 /nfs/dbraw/zinc/68/47/94/963684794.db2.gz XUSAIZHNLJCSCG-GFCCVEGCSA-N 0 3 263.297 1.969 20 5 CDBDHN C[C@H](COC(=O)c1cc([N+](=O)[O-])cn1C)N1CCCCC1 ZINC000847959196 968430728 /nfs/dbraw/zinc/43/07/28/968430728.db2.gz GHSWMFUNXAZAPS-LLVKDONJSA-N 0 3 295.339 1.965 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000589102011 342496853 /nfs/dbraw/zinc/49/68/53/342496853.db2.gz TZTCNKQFPCZXLX-JTQLQIEISA-N 0 3 290.323 1.477 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@]2(C1)CCCN(C)C2 ZINC000590141899 342522675 /nfs/dbraw/zinc/52/26/75/342522675.db2.gz HDHCBVQCLGGZBP-CYBMUJFWSA-N 0 3 279.344 1.250 20 5 CDBDHN C[C@H]1[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCCN1C ZINC000342834858 361750947 /nfs/dbraw/zinc/75/09/47/361750947.db2.gz LARPUCXNTJGFJV-GXSJLCMTSA-N 0 3 292.339 1.588 20 5 CDBDHN O=[N+]([O-])c1ccsc1NC[C@H]1CCCN1CCCO ZINC000590707666 342585066 /nfs/dbraw/zinc/58/50/66/342585066.db2.gz RMGOWIMPYUIBFE-SNVBAGLBSA-N 0 3 285.369 1.915 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(C2CCCC2)C1 ZINC000609287804 342100408 /nfs/dbraw/zinc/10/04/08/342100408.db2.gz URNYDRMYERNFDY-JTQLQIEISA-N 0 3 279.344 1.757 20 5 CDBDHN CC[C@@H](NC(=O)[C@H](CN)OC)c1cccc([N+](=O)[O-])c1 ZINC000289835541 361836129 /nfs/dbraw/zinc/83/61/29/361836129.db2.gz DVISPQBFWXPYRG-NEPJUHHUSA-N 0 3 281.312 1.136 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCC[C@H]2F)c1 ZINC000573238209 361856013 /nfs/dbraw/zinc/85/60/13/361856013.db2.gz UHYQDXATVVOHME-YUTCNCBUSA-N 0 3 298.314 1.815 20 5 CDBDHN C[C@H](CCO)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000593109994 342769575 /nfs/dbraw/zinc/76/95/75/342769575.db2.gz PTVZEGQQYOQZIK-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCC[C@]2(O)CCCOC2)c1 ZINC000593691298 342823380 /nfs/dbraw/zinc/82/33/80/342823380.db2.gz VROFVCWHRGNUPE-CQSZACIVSA-N 0 3 280.324 1.616 20 5 CDBDHN COc1ccc(CNCCc2cncn2C)cc1[N+](=O)[O-] ZINC000401803923 342831649 /nfs/dbraw/zinc/83/16/49/342831649.db2.gz OYZUCIOYIVZYDZ-UHFFFAOYSA-N 0 3 290.323 1.669 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417708 342902933 /nfs/dbraw/zinc/90/29/33/342902933.db2.gz FENLUEFNKXDNAH-MWLCHTKSSA-N 0 3 293.327 1.065 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(CC2CC2)C1 ZINC000609384253 342267921 /nfs/dbraw/zinc/26/79/21/342267921.db2.gz AUGPKYGADVZGFR-SNVBAGLBSA-N 0 3 265.317 1.225 20 5 CDBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C1(CO)CC1 ZINC000594970355 342991740 /nfs/dbraw/zinc/99/17/40/342991740.db2.gz ZBUFULIKKAWECF-SECBINFHSA-N 0 3 268.288 1.985 20 5 CDBDHN C[C@H]1CCN[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000126075043 187215539 /nfs/dbraw/zinc/21/55/39/187215539.db2.gz RQNCPBXJPYYTSS-CABZTGNLSA-N 0 3 263.297 1.921 20 5 CDBDHN C[C@H]1C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000402036772 349729849 /nfs/dbraw/zinc/72/98/49/349729849.db2.gz KEYXKKCJEFPBDS-QWRGUYRKSA-N 0 3 266.297 1.741 20 5 CDBDHN O=C1C[C@@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000595388057 343052881 /nfs/dbraw/zinc/05/28/81/343052881.db2.gz TVEURIXFMHFRNZ-LLVKDONJSA-N 0 3 289.335 1.695 20 5 CDBDHN CC[NH+](CC)C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596088974 343233530 /nfs/dbraw/zinc/23/35/30/343233530.db2.gz DBUZQQRSRQWPLG-VIFPVBQESA-N 0 3 268.317 1.838 20 5 CDBDHN CN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596090387 343234008 /nfs/dbraw/zinc/23/40/08/343234008.db2.gz CWVABCRJNRHDCD-SNVBAGLBSA-N 0 3 278.312 1.200 20 5 CDBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC000596147433 343244014 /nfs/dbraw/zinc/24/40/14/343244014.db2.gz WYZWOTHNRQFWAQ-ONGXEEELSA-N 0 3 292.339 1.588 20 5 CDBDHN COc1cc(N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000118296731 342429404 /nfs/dbraw/zinc/42/94/04/342429404.db2.gz OOYFUTSFDZMQQZ-UHFFFAOYSA-N 0 3 265.313 1.745 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(SCCN(C)C)n1 ZINC000166900527 362309498 /nfs/dbraw/zinc/30/94/98/362309498.db2.gz VPHDYZGNMOVSRY-UHFFFAOYSA-N 0 3 285.325 1.430 20 5 CDBDHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000252773058 344078914 /nfs/dbraw/zinc/07/89/14/344078914.db2.gz JFMFWNFROJRSJG-BFHYXJOUSA-N 0 3 280.324 1.877 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](CO)[C@@H]1C ZINC000602846352 344623784 /nfs/dbraw/zinc/62/37/84/344623784.db2.gz OQSZBZGEKZAANI-JQWIXIFHSA-N 0 3 282.344 1.193 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(C)C1 ZINC000609574234 345814403 /nfs/dbraw/zinc/81/44/03/345814403.db2.gz WRQRPSQYSMDXQZ-JTQLQIEISA-N 0 3 263.297 1.793 20 5 CDBDHN CCN1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611091913 346605221 /nfs/dbraw/zinc/60/52/21/346605221.db2.gz COJCQJBOACNXGQ-CYBMUJFWSA-N 0 3 293.367 2.000 20 5 CDBDHN COc1ccc(CN[C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611108192 346610536 /nfs/dbraw/zinc/61/05/36/346610536.db2.gz BYRJKEQUYKYOEB-LBPRGKRZSA-N 0 3 280.324 1.854 20 5 CDBDHN C[C@H](CNc1c([N+](=O)[O-])ncn1C)N1CCC[C@H](C)C1 ZINC000251585980 350165469 /nfs/dbraw/zinc/16/54/69/350165469.db2.gz BEGCHLDNZJIGMX-WDEREUQCSA-N 0 3 281.360 1.861 20 5 CDBDHN CCN1CCC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311968138 350735234 /nfs/dbraw/zinc/73/52/34/350735234.db2.gz OOLMFEUGEATZKU-SECBINFHSA-N 0 3 265.317 1.468 20 5 CDBDHN CN1CCC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000378339437 282735295 /nfs/dbraw/zinc/73/52/95/282735295.db2.gz XBXKRGFZCCJEPI-UHFFFAOYSA-N 0 3 293.327 1.018 20 5 CDBDHN CN(CCc1ccccn1)CCn1ccc([N+](=O)[O-])n1 ZINC000153103834 188065382 /nfs/dbraw/zinc/06/53/82/188065382.db2.gz MTJYBVLZNBYTQK-UHFFFAOYSA-N 0 3 275.312 1.361 20 5 CDBDHN COC(=O)c1cc(NC(=O)[C@@H](N)C(C)C)cc([N+](=O)[O-])c1 ZINC000153825359 188106244 /nfs/dbraw/zinc/10/62/44/188106244.db2.gz QJGQFRGFHREWFY-NSHDSACASA-N 0 3 295.295 1.303 20 5 CDBDHN COC(=O)c1cc(C)nc(N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000286241852 356235699 /nfs/dbraw/zinc/23/56/99/356235699.db2.gz BUKGDPDPNRGICG-VIFPVBQESA-N 0 3 296.327 1.447 20 5 CDBDHN CC(C)(O)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000336789746 356262082 /nfs/dbraw/zinc/26/20/82/356262082.db2.gz JWPSRZNQRXHBED-UHFFFAOYSA-N 0 3 256.277 1.985 20 5 CDBDHN CCN(CC)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000048558221 357190660 /nfs/dbraw/zinc/19/06/60/357190660.db2.gz SBSNDXVBQRMSAD-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN CC(C)(CC(N)=O)NCCOc1ccccc1[N+](=O)[O-] ZINC000186235223 357627844 /nfs/dbraw/zinc/62/78/44/357627844.db2.gz OZUKRIDIWILVEQ-UHFFFAOYSA-N 0 3 281.312 1.217 20 5 CDBDHN Cc1ccnc(N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420639614 357671298 /nfs/dbraw/zinc/67/12/98/357671298.db2.gz SCVCIELCKCNXDN-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000186808836 357694592 /nfs/dbraw/zinc/69/45/92/357694592.db2.gz JGXKTADBCHBLKO-UHFFFAOYSA-N 0 3 292.339 1.343 20 5 CDBDHN C[C@@H]1C[C@H](O)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337472545 358047631 /nfs/dbraw/zinc/04/76/31/358047631.db2.gz QKINOSKFXXZLFU-MNOVXSKESA-N 0 3 293.323 1.379 20 5 CDBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000361663360 358410869 /nfs/dbraw/zinc/41/08/69/358410869.db2.gz UCJXVNAEDVYOTG-CMPLNLGQSA-N 0 3 250.298 1.655 20 5 CDBDHN CC[C@@H](C)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000451833339 359083361 /nfs/dbraw/zinc/08/33/61/359083361.db2.gz CUTMLGUAXYPYDH-GFCCVEGCSA-N 0 3 281.360 1.207 20 5 CDBDHN C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235375050 360066225 /nfs/dbraw/zinc/06/62/25/360066225.db2.gz AQNXCJJIPLGKIY-NXEZZACHSA-N 0 3 299.352 1.014 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@]2(O)CCSC2)cs1 ZINC000176752859 189007310 /nfs/dbraw/zinc/00/73/10/189007310.db2.gz BINNDFLTEXYGQO-JTQLQIEISA-N 0 3 274.367 1.614 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H]2CO)c1 ZINC000178857783 189150874 /nfs/dbraw/zinc/15/08/74/189150874.db2.gz IECOTFYYDJRBAZ-OLZOCXBDSA-N 0 3 266.297 1.085 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408472091 361233620 /nfs/dbraw/zinc/23/36/20/361233620.db2.gz YVKOAVNYSNNQPP-SCZZXKLOSA-N 0 3 281.337 1.432 20 5 CDBDHN CC[C@H]1CN(C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000572716120 361605358 /nfs/dbraw/zinc/60/53/58/361605358.db2.gz XWVKNONUCAWSEK-ZDUSSCGKSA-N 0 3 293.367 2.000 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCF)C2)nc1 ZINC000137513295 363996396 /nfs/dbraw/zinc/99/63/96/363996396.db2.gz HKILZZPNEWTQJU-SNVBAGLBSA-N 0 3 268.292 1.836 20 5 CDBDHN C[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000545397650 364073160 /nfs/dbraw/zinc/07/31/60/364073160.db2.gz QYIJHWVVUUIUBO-CYBMUJFWSA-N 0 3 250.298 1.942 20 5 CDBDHN COC(=O)[C@@H](C)CN(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000175159503 364630855 /nfs/dbraw/zinc/63/08/55/364630855.db2.gz JYQIDRILUARVDY-JTQLQIEISA-N 0 3 296.327 1.065 20 5 CDBDHN COc1ccc(CN(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000270498932 366890701 /nfs/dbraw/zinc/89/07/01/366890701.db2.gz HSAHUIOVJDANSJ-UHFFFAOYSA-N 0 3 267.329 1.597 20 5 CDBDHN Cc1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414562932 241259615 /nfs/dbraw/zinc/25/96/15/241259615.db2.gz UEWPTQQVNWRRON-KGLIPLIRSA-N 0 3 294.351 1.780 20 5 CDBDHN C[C@H](O)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546611 367760165 /nfs/dbraw/zinc/76/01/65/367760165.db2.gz KEURAKIQVVMUHW-RYUDHWBXSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000090795052 368133090 /nfs/dbraw/zinc/13/30/90/368133090.db2.gz OGKMFMVZYHMRHL-KOLCDFICSA-N 0 3 292.339 1.588 20 5 CDBDHN CN1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000008317648 370914647 /nfs/dbraw/zinc/91/46/47/370914647.db2.gz NJZHVOVYFXCAMC-UHFFFAOYSA-N 0 3 281.341 1.446 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000330894470 203361971 /nfs/dbraw/zinc/36/19/71/203361971.db2.gz FISFNFVPXZSOEA-DGCLKSJQSA-N 0 3 291.351 1.736 20 5 CDBDHN CCN(C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000299287075 370272356 /nfs/dbraw/zinc/27/23/56/370272356.db2.gz XWLCSNRPZYYFNE-UHFFFAOYSA-N 0 3 257.315 1.338 20 5 CDBDHN C[C@]1(O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269637989 373243423 /nfs/dbraw/zinc/24/34/23/373243423.db2.gz HYOSVBUZWVVLDA-STQMWFEESA-N 0 3 266.297 1.085 20 5 CDBDHN COC[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650357 373292071 /nfs/dbraw/zinc/29/20/71/373292071.db2.gz MDHIVELCRARXIN-FZMZJTMJSA-N 0 3 280.324 1.597 20 5 CDBDHN CCN1CCC(N(C)c2ncccc2[N+](=O)[O-])CC1 ZINC000301285187 373480043 /nfs/dbraw/zinc/48/00/43/373480043.db2.gz RGHSNEUPSZVBEL-UHFFFAOYSA-N 0 3 264.329 1.910 20 5 CDBDHN C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])N(C)C ZINC000298368691 373513984 /nfs/dbraw/zinc/51/39/84/373513984.db2.gz SZPXRWAEPSVVOM-NSHDSACASA-N 0 3 294.355 1.463 20 5 CDBDHN CCOc1ccc([C@@H](C)NC[C@H](O)COC)cc1[N+](=O)[O-] ZINC000153856920 374094299 /nfs/dbraw/zinc/09/42/99/374094299.db2.gz RFXVBXQSBOKIPR-PWSUYJOCSA-N 0 3 298.339 1.651 20 5 CDBDHN CCCN[C@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000423726342 246006666 /nfs/dbraw/zinc/00/66/66/246006666.db2.gz PSNLYLQUHHYBHA-SECBINFHSA-N 0 3 281.312 1.930 20 5 CDBDHN COCC[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547395741 374159871 /nfs/dbraw/zinc/15/98/71/374159871.db2.gz NIXQQDCYEHOXLO-NWDGAFQWSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@@H](NC[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487763 374386812 /nfs/dbraw/zinc/38/68/12/374386812.db2.gz XTXNJEOAVMXHCS-RISCZKNCSA-N 0 3 278.356 1.149 20 5 CDBDHN Cc1c([C@@H](C)NC[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423531725 374388208 /nfs/dbraw/zinc/38/82/08/374388208.db2.gz YOGNKLSCOWBVQP-VXGBXAGGSA-N 0 3 279.340 1.542 20 5 CDBDHN CC(C)N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000274411010 374674067 /nfs/dbraw/zinc/67/40/67/374674067.db2.gz CBBIJDACXFOSGP-JTQLQIEISA-N 0 3 281.312 1.790 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093898971 374791165 /nfs/dbraw/zinc/79/11/65/374791165.db2.gz VLKQIGHLFMJVOY-LLVKDONJSA-N 0 3 279.340 1.717 20 5 CDBDHN CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1N(C)C ZINC000332665155 375040817 /nfs/dbraw/zinc/04/08/17/375040817.db2.gz PPPBGFPXTZUZCG-MNOVXSKESA-N 0 3 298.368 1.041 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000353472360 375614440 /nfs/dbraw/zinc/61/44/40/375614440.db2.gz TVSIHNQBGUNPJR-UHFFFAOYSA-N 0 3 250.298 1.942 20 5 CDBDHN C[C@H](O)CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728716 375746331 /nfs/dbraw/zinc/74/63/31/375746331.db2.gz IHLWJUSZDZHNPE-NWDGAFQWSA-N 0 3 294.355 1.637 20 5 CDBDHN CN1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000294228993 375801179 /nfs/dbraw/zinc/80/11/79/375801179.db2.gz RKCNIRNQAFWPCT-CQSZACIVSA-N 0 3 293.323 1.746 20 5 CDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)N(C)C ZINC000357830685 375935729 /nfs/dbraw/zinc/93/57/29/375935729.db2.gz FGEHLWWQUFOUJH-VXGBXAGGSA-N 0 3 293.367 1.982 20 5 CDBDHN C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C ZINC000294244690 376007756 /nfs/dbraw/zinc/00/77/56/376007756.db2.gz FPOOMKCWVJYTLU-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN CC1(C)CN(CCNCc2ccccc2[N+](=O)[O-])CCO1 ZINC000171767069 377003663 /nfs/dbraw/zinc/00/36/63/377003663.db2.gz QYIGSDPLCGENIZ-UHFFFAOYSA-N 0 3 293.367 1.795 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC1(CO)CCCC1 ZINC000053044761 377637295 /nfs/dbraw/zinc/63/72/95/377637295.db2.gz KAUNQATUTKMHPK-UHFFFAOYSA-N 0 3 250.298 1.990 20 5 CDBDHN CCOC[C@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447538392 250384107 /nfs/dbraw/zinc/38/41/07/250384107.db2.gz BXISFNQHQXYXFI-HIFRSBDPSA-N 0 3 294.351 1.959 20 5 CDBDHN COCCOCCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000289096699 197234079 /nfs/dbraw/zinc/23/40/79/197234079.db2.gz UXKRDHRITAKQMS-UHFFFAOYSA-N 0 3 298.339 1.568 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@H](N3CCCC3)C2)s1 ZINC000190324290 285176992 /nfs/dbraw/zinc/17/69/92/285176992.db2.gz MYFLUEQVIBEMSA-VIFPVBQESA-N 0 3 268.342 1.726 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H](CO)[C@H](CO)C1 ZINC000877764732 781978000 /nfs/dbraw/zinc/97/80/00/781978000.db2.gz NJKRPXSNADXYOE-VDKLAZJHSA-N 0 3 292.335 1.141 20 5 CDBDHN C[C@H]1CN(CCCNc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000432879202 390493366 /nfs/dbraw/zinc/49/33/66/390493366.db2.gz KKCVNCLZIRKGGS-NSHDSACASA-N 0 3 297.359 1.241 20 5 CDBDHN COC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000452043054 390663030 /nfs/dbraw/zinc/66/30/30/390663030.db2.gz USSPINOZZAYCKW-ZDUSSCGKSA-N 0 3 295.339 1.257 20 5 CDBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCCCC1 ZINC000515734048 390959397 /nfs/dbraw/zinc/95/93/97/390959397.db2.gz JFNVHJILWFDNCA-UHFFFAOYSA-N 0 3 294.355 1.917 20 5 CDBDHN O=C(CCN(CCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411168128 390966156 /nfs/dbraw/zinc/96/61/56/390966156.db2.gz PQQQPEGVTJGIQP-UHFFFAOYSA-N 0 3 293.323 1.380 20 5 CDBDHN CCc1nn(C)c(N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000366112792 391340682 /nfs/dbraw/zinc/34/06/82/391340682.db2.gz RBTAMKHJFBSPEP-CQSZACIVSA-N 0 3 293.371 1.423 20 5 CDBDHN Cc1c([C@@H](C)NCCOCCO)cccc1[N+](=O)[O-] ZINC000159137713 391449938 /nfs/dbraw/zinc/44/99/38/391449938.db2.gz PWDSFFPFEXGXHN-LLVKDONJSA-N 0 3 268.313 1.563 20 5 CDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N(C)C ZINC000294270174 391516963 /nfs/dbraw/zinc/51/69/63/391516963.db2.gz HBTUTSPXPFSRSV-SNVBAGLBSA-N 0 3 295.339 1.673 20 5 CDBDHN Cc1nc(N[C@H](C)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000296554335 391696826 /nfs/dbraw/zinc/69/68/26/391696826.db2.gz PAEQWWRGFVVHLF-SNVBAGLBSA-N 0 3 279.344 1.980 20 5 CDBDHN C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])N(C)C ZINC000341799246 130037668 /nfs/dbraw/zinc/03/76/68/130037668.db2.gz OBMCAYZVKALJBP-QMMMGPOBSA-N 0 3 266.301 1.056 20 5 CDBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000354355166 391918634 /nfs/dbraw/zinc/91/86/34/391918634.db2.gz XQCMOHCBFCILPS-UWVGGRQHSA-N 0 3 294.359 1.106 20 5 CDBDHN CC(COC(=O)CCN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496553018 391923680 /nfs/dbraw/zinc/92/36/80/391923680.db2.gz RPLQGDSDXWEGHV-SECBINFHSA-N 0 3 290.316 1.452 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000262757509 131258849 /nfs/dbraw/zinc/25/88/49/131258849.db2.gz HWALFZYFLVCMFS-HTQZYQBOSA-N 0 3 269.326 1.479 20 5 CDBDHN C[C@H]1NCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262814508 131263439 /nfs/dbraw/zinc/26/34/39/131263439.db2.gz RONQDETZGTYHAO-MNOVXSKESA-N 0 3 277.324 1.346 20 5 CDBDHN C[C@H]1NCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262814506 131263974 /nfs/dbraw/zinc/26/39/74/131263974.db2.gz RONQDETZGTYHAO-GHMZBOCLSA-N 0 3 277.324 1.346 20 5 CDBDHN Cc1sc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262832857 131266196 /nfs/dbraw/zinc/26/61/96/131266196.db2.gz VNFFBPLYGRHJOY-YUMQZZPRSA-N 0 3 283.353 1.787 20 5 CDBDHN CO[C@@H]1COC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000459756246 392504166 /nfs/dbraw/zinc/50/41/66/392504166.db2.gz NLFVWDGMZIDPTJ-UUSSSYRCSA-N 0 3 278.308 1.611 20 5 CDBDHN C[C@H]1[C@@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000488803933 392728137 /nfs/dbraw/zinc/72/81/37/392728137.db2.gz ZGSRCYVWIQSKKE-NWDGAFQWSA-N 0 3 280.324 1.676 20 5 CDBDHN CC[C@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)N(C)C ZINC000268800978 132068075 /nfs/dbraw/zinc/06/80/75/132068075.db2.gz YKDFLIWUWAYWEV-LLVKDONJSA-N 0 3 295.339 1.560 20 5 CDBDHN C[C@@H](NC[C@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486328 392963773 /nfs/dbraw/zinc/96/37/73/392963773.db2.gz WIECRKWQPQWHIE-BXUZGUMPSA-N 0 3 278.356 1.149 20 5 CDBDHN CNC(=O)CCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000170793238 393108349 /nfs/dbraw/zinc/10/83/49/393108349.db2.gz NCQFEGRDGIKTGE-UHFFFAOYSA-N 0 3 265.313 1.205 20 5 CDBDHN CNC(=O)[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449202864 393132333 /nfs/dbraw/zinc/13/23/33/393132333.db2.gz KOIJVWYMZKCQLF-BXUZGUMPSA-N 0 3 293.367 1.886 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)NCCF ZINC000449305451 393134023 /nfs/dbraw/zinc/13/40/23/393134023.db2.gz GNBKEWZDFLITAO-GHMZBOCLSA-N 0 3 297.330 1.590 20 5 CDBDHN COc1ccc(NC(=O)[C@H](N)CCSC)cc1[N+](=O)[O-] ZINC000131337666 139837166 /nfs/dbraw/zinc/83/71/66/139837166.db2.gz UDWAMWSTRQZISX-SECBINFHSA-N 0 3 299.352 1.622 20 5 CDBDHN Cc1cc(NC[C@H]2CN3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000252639092 140321403 /nfs/dbraw/zinc/32/14/03/140321403.db2.gz JLROGEZBNFISDW-RYUDHWBXSA-N 0 3 292.339 1.573 20 5 CDBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000361067509 397910854 /nfs/dbraw/zinc/91/08/54/397910854.db2.gz NSZXJZPRYKVGLL-CMPLNLGQSA-N 0 3 262.313 1.520 20 5 CDBDHN COc1cc(CN2CC[C@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488744933 398133571 /nfs/dbraw/zinc/13/35/71/398133571.db2.gz AJKAOAVQKFDZSW-CMPLNLGQSA-N 0 3 280.324 1.806 20 5 CDBDHN Cc1ccc(CNCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000095016041 147105590 /nfs/dbraw/zinc/10/55/90/147105590.db2.gz OYGXSGJOPITUHC-UHFFFAOYSA-N 0 3 275.312 1.364 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000334042444 149306125 /nfs/dbraw/zinc/30/61/25/149306125.db2.gz NADLXIIVELBMPQ-JQWIXIFHSA-N 0 3 277.324 1.807 20 5 CDBDHN CN1CC[C@](O)(CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342830448 151933849 /nfs/dbraw/zinc/93/38/49/151933849.db2.gz JLJFOBNJTRPHHO-LBPRGKRZSA-N 0 3 269.276 1.212 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000346156346 153074998 /nfs/dbraw/zinc/07/49/98/153074998.db2.gz JTTXEFKSBPHZKV-SNVBAGLBSA-N 0 3 280.328 1.073 20 5 CDBDHN COc1cccc(N2CCN[C@H](C)C2)c1[N+](=O)[O-] ZINC000122696882 286457161 /nfs/dbraw/zinc/45/71/61/286457161.db2.gz DQOHDAXPMHVEME-SECBINFHSA-N 0 3 251.286 1.402 20 5 CDBDHN COC(=O)COc1ccc(CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000355583697 157128941 /nfs/dbraw/zinc/12/89/41/157128941.db2.gz MWLVPOXQMHQQMN-UHFFFAOYSA-N 0 3 294.307 1.741 20 5 CDBDHN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000363631785 159335683 /nfs/dbraw/zinc/33/56/83/159335683.db2.gz RNPBSECOATTXEH-NSHDSACASA-N 0 3 295.364 1.967 20 5 CDBDHN C[C@@H](Cn1ccnc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000035275171 172095463 /nfs/dbraw/zinc/09/54/63/172095463.db2.gz DGLNXVWMPCETOB-NSHDSACASA-N 0 3 260.297 1.970 20 5 CDBDHN C[C@H](Cn1ccnc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000035275173 172095757 /nfs/dbraw/zinc/09/57/57/172095757.db2.gz DGLNXVWMPCETOB-LLVKDONJSA-N 0 3 260.297 1.970 20 5 CDBDHN C[C@H](NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060660 174071590 /nfs/dbraw/zinc/07/15/90/174071590.db2.gz DMSWAOUFADTXTN-GWCFXTLKSA-N 0 3 266.297 1.661 20 5 CDBDHN C[C@@H](NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060659 174071724 /nfs/dbraw/zinc/07/17/24/174071724.db2.gz DMSWAOUFADTXTN-ZWNOBZJWSA-N 0 3 266.297 1.661 20 5 CDBDHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000040630931 174358383 /nfs/dbraw/zinc/35/83/83/174358383.db2.gz AUVWLDAIVOFVNP-WDEREUQCSA-N 0 3 279.296 1.219 20 5 CDBDHN CCOC[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000044723513 175237461 /nfs/dbraw/zinc/23/74/61/175237461.db2.gz HNIQZQWMOLGPTF-NSHDSACASA-N 0 3 268.313 1.988 20 5 CDBDHN CCC[C@@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262468228 273617262 /nfs/dbraw/zinc/61/72/62/273617262.db2.gz MVUGSFPRCPCBMI-SNVBAGLBSA-N 0 3 263.297 1.611 20 5 CDBDHN C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1 ZINC000029340629 274364615 /nfs/dbraw/zinc/36/46/15/274364615.db2.gz WIRIBEHWECMIRC-SNVBAGLBSA-N 0 3 272.308 1.941 20 5 in-vivo CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000378097892 275040144 /nfs/dbraw/zinc/04/01/44/275040144.db2.gz ADYCBRCDCFBYJZ-GFCCVEGCSA-N 0 3 272.308 1.965 20 5 CDBDHN CC1(C)CN(c2ncc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000212795778 275851693 /nfs/dbraw/zinc/85/16/93/275851693.db2.gz AQWGBUUJQBZGJB-UHFFFAOYSA-N 0 3 270.720 1.831 20 5 CDBDHN C[C@@H](C(=O)N1CCNC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396092597 280695972 /nfs/dbraw/zinc/69/59/72/280695972.db2.gz JRRLDXGUKIAUOW-LLVKDONJSA-N 0 3 291.351 1.909 20 5 CDBDHN CN(C)C1(CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000397751143 280709881 /nfs/dbraw/zinc/70/98/81/280709881.db2.gz BGLXOTHBEUAEGK-UHFFFAOYSA-N 0 3 281.341 1.810 20 5 CDBDHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000157153371 289279892 /nfs/dbraw/zinc/27/98/92/289279892.db2.gz JFMFWNFROJRSJG-MCIONIFRSA-N 0 3 280.324 1.877 20 5 CDBDHN CN(C)[C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255519454 289374857 /nfs/dbraw/zinc/37/48/57/289374857.db2.gz ZXEHUPDTAAHANE-WSROAFLRSA-N 0 3 289.335 1.771 20 5 CDBDHN NC(=O)c1ccc(CNC2(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000544414732 289636964 /nfs/dbraw/zinc/63/69/64/289636964.db2.gz DRHFGQRYXWZBQR-UHFFFAOYSA-N 0 3 275.308 1.726 20 5 CDBDHN C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000562399959 293151514 /nfs/dbraw/zinc/15/15/14/293151514.db2.gz AXWJZLFZNGDLJD-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CNCC3(O)CCCC3)nc2c1 ZINC000564444770 293357396 /nfs/dbraw/zinc/35/73/96/293357396.db2.gz VVVHFQHIGBWIEN-UHFFFAOYSA-N 0 3 290.323 1.866 20 5 CDBDHN CO[C@@H]1COC[C@H]1N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000564964900 293472003 /nfs/dbraw/zinc/47/20/03/293472003.db2.gz DYGCUCJWQJRBHM-NJZAAPMLSA-N 0 3 294.351 1.919 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCC(=O)N(C)C ZINC000873031154 782088415 /nfs/dbraw/zinc/08/84/15/782088415.db2.gz PBLMPXRDQBDFAD-UHFFFAOYSA-N 0 3 279.340 1.780 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000582661421 325018575 /nfs/dbraw/zinc/01/85/75/325018575.db2.gz ZBXSISHQJAUSOK-SDDRHHMPSA-N 0 3 298.314 1.815 20 5 CDBDHN COC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000183484601 522744271 /nfs/dbraw/zinc/74/42/71/522744271.db2.gz PPWCNHFWEGCASW-KBPBESRZSA-N 0 3 280.324 1.643 20 5 CDBDHN C[C@H](CN1CCCC1=O)NCc1cccc([N+](=O)[O-])c1 ZINC000037783000 524326923 /nfs/dbraw/zinc/32/69/23/524326923.db2.gz MUQSVYYSUAXCPS-LLVKDONJSA-N 0 3 277.324 1.695 20 5 CDBDHN Cc1nc(NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000161541198 526998259 /nfs/dbraw/zinc/99/82/59/526998259.db2.gz BBUIGLAHYCUYCW-NEPJUHHUSA-N 0 3 292.339 1.573 20 5 CDBDHN CC(C)N1CC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000892035228 617429199 /nfs/dbraw/zinc/42/91/99/617429199.db2.gz BKBUMFUNVPXTCG-VIFPVBQESA-N 0 3 253.306 1.223 20 5 CDBDHN COCCOC[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000892609302 617532956 /nfs/dbraw/zinc/53/29/56/617532956.db2.gz ZZUYSVKJFNKLPI-LLVKDONJSA-N 0 3 268.313 1.736 20 5 CDBDHN COC[C@@H](C)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892729929 617668286 /nfs/dbraw/zinc/66/82/86/617668286.db2.gz COXPYQZDYNQCFH-VIFPVBQESA-N 0 3 284.312 1.681 20 5 CDBDHN CC(COC(=O)C1C[C@H]2CC[C@@H](C1)S2)[N+](=O)[O-] ZINC000893046648 618097298 /nfs/dbraw/zinc/09/72/98/618097298.db2.gz DWWDHTZKLDZNDS-GQDPBHBBSA-N 0 3 259.327 1.869 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1Br)[N+](=O)[O-] ZINC000893046710 618097723 /nfs/dbraw/zinc/09/77/23/618097723.db2.gz GFWWFDXODUDTJG-YFKPBYRVSA-N 0 3 292.089 1.005 20 5 CDBDHN NOCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000904457660 626301727 /nfs/dbraw/zinc/30/17/27/626301727.db2.gz SHTQMLDJKZDXPD-UHFFFAOYSA-N 0 3 259.693 1.618 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000905205273 626691129 /nfs/dbraw/zinc/69/11/29/626691129.db2.gz YPYKQYFUNZPMIC-UHFFFAOYSA-N 0 3 273.676 1.657 20 5 CDBDHN COC[C@@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905274485 626730078 /nfs/dbraw/zinc/73/00/78/626730078.db2.gz SZWBQBSYSCFLTE-LLVKDONJSA-N 0 3 272.732 1.936 20 5 CDBDHN Cc1ccn2ncc(C(=O)OCC(C)[N+](=O)[O-])c2c1 ZINC000835455164 631646546 /nfs/dbraw/zinc/64/65/46/631646546.db2.gz NAJBHUSWHOUONC-VIFPVBQESA-N 0 3 263.253 1.465 20 5 CDBDHN COc1c(F)cc(NCC2CN(C)C2)cc1[N+](=O)[O-] ZINC001170254780 1162327113 /nfs/dbraw/zinc/32/71/13/1162327113.db2.gz RTDLYEGURHETCK-UHFFFAOYSA-N 0 3 269.276 1.716 20 5 CDBDHN COc1cc(N[C@H](C)[C@@H]2CNCCO2)cc([N+](=O)[O-])c1C ZINC001170574879 1162985314 /nfs/dbraw/zinc/98/53/14/1162985314.db2.gz UNAKVRSWKMEQAC-YGRLFVJLSA-N 0 3 295.339 1.701 20 5 CDBDHN Cc1nc2ccccc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112588 1163816197 /nfs/dbraw/zinc/81/61/97/1163816197.db2.gz IVIVZGFSRZGVNN-SECBINFHSA-N 0 3 277.280 1.553 20 5 CDBDHN Nc1cc(N[C@H]2CNCc3ccsc32)ncc1[N+](=O)[O-] ZINC001155560925 1167231501 /nfs/dbraw/zinc/23/15/01/1167231501.db2.gz JMSACQOLOXXYPB-VIFPVBQESA-N 0 3 291.336 1.890 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CNCCO1 ZINC000134267342 1175815084 /nfs/dbraw/zinc/81/50/84/1175815084.db2.gz GNNYBPYDNCFJHC-VIFPVBQESA-N 0 3 255.249 1.134 20 5 CDBDHN COCCN1CCC(Oc2c(C)nccc2[N+](=O)[O-])CC1 ZINC001234902208 913878390 /nfs/dbraw/zinc/87/83/90/913878390.db2.gz YSPPLAGGAPBJCW-UHFFFAOYSA-N 0 3 295.339 1.788 20 5 CDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)CCN(C)C ZINC000843813285 909717264 /nfs/dbraw/zinc/71/72/64/909717264.db2.gz IKQQBRPUMMVKAR-UHFFFAOYSA-N 0 3 283.303 1.676 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CC=CC1 ZINC001125129481 936351845 /nfs/dbraw/zinc/35/18/45/936351845.db2.gz UDPPPKNREKRSCR-UHFFFAOYSA-N 0 3 289.335 1.767 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)C1 ZINC001169009879 927614559 /nfs/dbraw/zinc/61/45/59/927614559.db2.gz YPACDYVNLRHSCB-ZIAGYGMSSA-N 0 3 290.367 1.649 20 5 CDBDHN COC(=O)[C@H](C(C)C)N(C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039975 927653196 /nfs/dbraw/zinc/65/31/96/927653196.db2.gz WNDWBEHPVZIBLT-TUAOUCFPSA-N 0 3 272.345 1.561 20 5 CDBDHN C[C@@H]1[C@H](C)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776597112 927794207 /nfs/dbraw/zinc/79/42/07/927794207.db2.gz HJIPJSSFBRMFFB-XUJVJEKNSA-N 0 3 293.367 1.653 20 5 CDBDHN Cc1ccc2c(ccnc2-n2nncc2CN)c1[N+](=O)[O-] ZINC001169309056 927946046 /nfs/dbraw/zinc/94/60/46/927946046.db2.gz XLGKEIHKUBNPKL-UHFFFAOYSA-N 0 3 284.279 1.491 20 5 CDBDHN COC[C@H](NCc1cccnc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886918186 930993792 /nfs/dbraw/zinc/99/37/92/930993792.db2.gz TZLFDHMJEXTXRT-OLZOCXBDSA-N 0 3 295.339 1.521 20 5 CDBDHN CN(CC[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000929978146 933293106 /nfs/dbraw/zinc/29/31/06/933293106.db2.gz AHPZBVOOTPGQRO-UHFFFAOYSA-N 0 3 291.351 1.500 20 5 CDBDHN CC(COC(=O)c1c[nH]c(Br)c1)[N+](=O)[O-] ZINC001122968963 936093368 /nfs/dbraw/zinc/09/33/68/936093368.db2.gz VZPFCPXXKSPODO-YFKPBYRVSA-N 0 3 277.074 1.599 20 5 CDBDHN Cc1c([N+](=O)[O-])cc(F)cc1-n1nccc1CN ZINC001162593360 939096978 /nfs/dbraw/zinc/09/69/78/939096978.db2.gz JBWXRDATMQFEMT-UHFFFAOYSA-N 0 3 250.233 1.687 20 5 CDBDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000400987676 940862241 /nfs/dbraw/zinc/86/22/41/940862241.db2.gz ZHKZXKFDGZUEFF-MFKMUULPSA-N 0 3 279.340 1.975 20 5 CDBDHN NC[C@H](N)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980005 941296206 /nfs/dbraw/zinc/29/62/06/941296206.db2.gz PAODVABIGQCDMP-NSHDSACASA-N 0 3 281.319 1.008 20 5 CDBDHN CC[N@@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227745736 942218648 /nfs/dbraw/zinc/21/86/48/942218648.db2.gz NQCFZMUOQOOOJU-SNVBAGLBSA-N 0 3 276.296 1.944 20 5 CDBDHN CC[N@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227745736 942218649 /nfs/dbraw/zinc/21/86/49/942218649.db2.gz NQCFZMUOQOOOJU-SNVBAGLBSA-N 0 3 276.296 1.944 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001262365980 946613199 /nfs/dbraw/zinc/61/31/99/946613199.db2.gz QSCKJADKFILUMK-WDEREUQCSA-N 0 3 296.323 1.966 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](O)[C@@H](CO)C1 ZINC001254551823 947522696 /nfs/dbraw/zinc/52/26/96/947522696.db2.gz GGWMTGBBRAUKCP-KYOSRNDESA-N 0 3 294.351 1.201 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN2CC[C@H]1C2 ZINC001254560212 947523703 /nfs/dbraw/zinc/52/37/03/947523703.db2.gz PTGVYCZPMHUGOT-JSGCOSHPSA-N 0 3 275.352 1.916 20 5 CDBDHN Cc1nccc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254576391 947536240 /nfs/dbraw/zinc/53/62/40/947536240.db2.gz WGJHTKQHGJHISI-AWEZNQCLSA-N 0 3 284.319 1.950 20 5 CDBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCC1 ZINC001254584812 947539408 /nfs/dbraw/zinc/53/94/08/947539408.db2.gz JVPVYMXDAVWQQJ-ZDUSSCGKSA-N 0 3 289.335 1.320 20 5 CDBDHN CC[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC001322966890 960384024 /nfs/dbraw/zinc/38/40/24/960384024.db2.gz PMEPYZAXTJRPFT-ZDUSSCGKSA-N 0 3 277.324 1.777 20 5 CDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CCN1C1CCCC1 ZINC001336725153 960510741 /nfs/dbraw/zinc/51/07/41/960510741.db2.gz BORPHVDFMQSNNF-NSHDSACASA-N 0 3 291.355 1.838 20 5 CDBDHN CC[C@@H](C)n1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC001344999224 964525870 /nfs/dbraw/zinc/52/58/70/964525870.db2.gz XENXXWHYLNJFDE-RKDXNWHRSA-N 0 3 255.274 1.676 20 5 CDBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000589102012 342496855 /nfs/dbraw/zinc/49/68/55/342496855.db2.gz TZTCNKQFPCZXLX-SNVBAGLBSA-N 0 3 290.323 1.477 20 5 CDBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000589102101 342497007 /nfs/dbraw/zinc/49/70/07/342497007.db2.gz ZSRVCBZAHMXUNZ-MRVPVSSYSA-N 0 3 257.265 1.068 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCN2CCCO)s1 ZINC000590708025 342585201 /nfs/dbraw/zinc/58/52/01/342585201.db2.gz RHVWUSBIDCWKPN-SNVBAGLBSA-N 0 3 285.369 1.915 20 5 CDBDHN C[C@@H]1CCCN(CCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000048560081 342093121 /nfs/dbraw/zinc/09/31/21/342093121.db2.gz OTNIYWZRPNTXTP-SNVBAGLBSA-N 0 3 267.333 1.472 20 5 CDBDHN CNc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000592338192 342685758 /nfs/dbraw/zinc/68/57/58/342685758.db2.gz QMRSNBOUXWVFBN-UWVGGRQHSA-N 0 3 296.302 1.066 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231895 361846843 /nfs/dbraw/zinc/84/68/43/361846843.db2.gz RDZIBRVYVDXBDR-UHFFFAOYSA-N 0 3 285.731 1.930 20 5 CDBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCN(C)C1 ZINC000592830065 342741333 /nfs/dbraw/zinc/74/13/33/342741333.db2.gz AZZNVKFMTIIGOU-NSHDSACASA-N 0 3 294.355 1.490 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000593031093 342755598 /nfs/dbraw/zinc/75/55/98/342755598.db2.gz RGNAFEUTKHHWLS-LBPRGKRZSA-N 0 3 277.324 1.348 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccccc1[N+](=O)[O-] ZINC000368206054 295674894 /nfs/dbraw/zinc/67/48/94/295674894.db2.gz ZKQRETXAFSDXQE-IUCAKERBSA-N 0 3 267.260 1.025 20 5 CDBDHN CC(C)N(CCN(C)C)c1ncc([N+](=O)[O-])s1 ZINC000192532256 361975286 /nfs/dbraw/zinc/97/52/86/361975286.db2.gz PAJFFCXOWOAVGV-UHFFFAOYSA-N 0 3 258.347 1.828 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595736399 343135874 /nfs/dbraw/zinc/13/58/74/343135874.db2.gz FNRUPNYIAPKLNL-AWEZNQCLSA-N 0 3 296.323 1.321 20 5 CDBDHN CN(C)CCN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000080389541 342352186 /nfs/dbraw/zinc/35/21/86/342352186.db2.gz XFQUZUUGBCEOFF-BQYQJAHWSA-N 0 3 277.324 1.628 20 5 CDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CC1(CO)COC1 ZINC000089117115 342387780 /nfs/dbraw/zinc/38/77/80/342387780.db2.gz SXQNPMVHIZHSHH-UHFFFAOYSA-N 0 3 294.351 1.814 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN1 ZINC000596501838 343337514 /nfs/dbraw/zinc/33/75/14/343337514.db2.gz QJWVXBBXBDSLGE-NSHDSACASA-N 0 3 280.328 1.003 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCC[C@H]2O)c1 ZINC000051993394 362169730 /nfs/dbraw/zinc/16/97/30/362169730.db2.gz AVFXBGRIQYLYBW-CHWSQXEVSA-N 0 3 250.298 1.988 20 5 CDBDHN C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093333402 342422080 /nfs/dbraw/zinc/42/20/80/342422080.db2.gz VSBNXKPUPPBVPH-RISCZKNCSA-N 0 3 280.324 1.676 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(C2CC2)C2CC2)c1 ZINC000599595186 344088701 /nfs/dbraw/zinc/08/87/01/344088701.db2.gz SVTGQIPVMCXDEQ-CQSZACIVSA-N 0 3 292.335 1.961 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCCOC(C)C ZINC000602776192 344578635 /nfs/dbraw/zinc/57/86/35/344578635.db2.gz AOXGTQQJNVMYIA-UHFFFAOYSA-N 0 3 284.360 1.847 20 5 CDBDHN COC[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602786131 344599242 /nfs/dbraw/zinc/59/92/42/344599242.db2.gz NAJDPQMYVJYIMP-GFCCVEGCSA-N 0 3 282.344 1.458 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000602817867 344607901 /nfs/dbraw/zinc/60/79/01/344607901.db2.gz VCFDMRMOPHZPFA-LOWVWBTDSA-N 0 3 296.371 1.581 20 5 CDBDHN CC[C@@]1(O)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602982621 344674336 /nfs/dbraw/zinc/67/43/36/344674336.db2.gz VPCINWDRWFYTHI-GFCCVEGCSA-N 0 3 268.317 1.028 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000033092963 345441146 /nfs/dbraw/zinc/44/11/46/345441146.db2.gz MXXIFRKJIRHJTJ-SECBINFHSA-N 0 3 251.286 1.275 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000088138585 346012132 /nfs/dbraw/zinc/01/21/32/346012132.db2.gz RNVKRAQEUIMZJO-UHFFFAOYSA-N 0 3 269.326 1.480 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(CCC3CC3)CC2)cn1 ZINC000610367413 346264215 /nfs/dbraw/zinc/26/42/15/346264215.db2.gz AQYZVGBADDYBJL-UHFFFAOYSA-N 0 3 276.340 1.912 20 5 CDBDHN CCn1cnnc1CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000610658239 346335549 /nfs/dbraw/zinc/33/55/49/346335549.db2.gz QNCVZHNRTNIWDC-UHFFFAOYSA-N 0 3 289.339 1.847 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC3(O)CCC3)C2)nc1 ZINC000610710252 346364746 /nfs/dbraw/zinc/36/47/46/346364746.db2.gz DSKQDFHXQURMLJ-LLVKDONJSA-N 0 3 292.339 1.391 20 5 CDBDHN CS[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000611242381 346716860 /nfs/dbraw/zinc/71/68/60/346716860.db2.gz NWQSSLHQPXLHGG-QWRGUYRKSA-N 0 3 282.369 1.472 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)CC2CC2)c(F)c1 ZINC000611498520 346804261 /nfs/dbraw/zinc/80/42/61/346804261.db2.gz ZMTWGRGBAFNJKJ-LLVKDONJSA-N 0 3 268.288 1.985 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000068341991 347563142 /nfs/dbraw/zinc/56/31/42/347563142.db2.gz AXZSTSJISOLGBW-CYBMUJFWSA-N 0 3 277.324 1.761 20 5 CDBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000046228877 348787626 /nfs/dbraw/zinc/78/76/26/348787626.db2.gz GKZBUFFDHCACNL-UHFFFAOYSA-N 0 3 264.329 1.768 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C2CC2)c1 ZINC000066923791 349005686 /nfs/dbraw/zinc/00/56/86/349005686.db2.gz HOMOTSPXJAVMNP-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CCN(C)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000136300373 362966121 /nfs/dbraw/zinc/96/61/21/362966121.db2.gz XTKSRYOZDDYZNA-UHFFFAOYSA-N 0 3 281.312 1.745 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC23CCC3)c1 ZINC000081563858 351153754 /nfs/dbraw/zinc/15/37/54/351153754.db2.gz RLDOGIXHNYQXRX-ZDUSSCGKSA-N 0 3 292.335 1.963 20 5 CDBDHN Cc1ccc([C@@H](C)N[C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000122148696 187017471 /nfs/dbraw/zinc/01/74/71/187017471.db2.gz PCKPTWUUCFLBBO-NXEZZACHSA-N 0 3 265.313 1.818 20 5 CDBDHN COCC(C)(C)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292086620 198158459 /nfs/dbraw/zinc/15/84/59/198158459.db2.gz GHKWZTWBOAWYGC-CYBMUJFWSA-N 0 3 282.340 1.985 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856432 140219874 /nfs/dbraw/zinc/21/98/74/140219874.db2.gz QUSANRQXFDVLLQ-NOZJJQNGSA-N 0 3 279.340 1.893 20 5 CDBDHN C[C@@H](CN1CCOCC1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000271598249 191234001 /nfs/dbraw/zinc/23/40/01/191234001.db2.gz HHPGHKJDELBGNX-ZDUSSCGKSA-N 0 3 293.367 1.747 20 5 CDBDHN C[C@H](CS(C)(=O)=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000271736139 191298095 /nfs/dbraw/zinc/29/80/95/191298095.db2.gz UDWXJGKTPOGILV-SNVBAGLBSA-N 0 3 286.353 1.160 20 5 CDBDHN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc([N+](=O)[O-])c1 ZINC000366459131 363497557 /nfs/dbraw/zinc/49/75/57/363497557.db2.gz FKGYCBKLPQAMRW-QWRGUYRKSA-N 0 3 281.287 1.333 20 5 CDBDHN CC1CCN(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000048559929 357190606 /nfs/dbraw/zinc/19/06/06/357190606.db2.gz BHOPNCCFRILIIR-UHFFFAOYSA-N 0 3 280.332 1.111 20 5 CDBDHN CO[C@@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451851867 359088149 /nfs/dbraw/zinc/08/81/49/359088149.db2.gz NDQCDUJTMGALSM-VXGBXAGGSA-N 0 3 294.355 1.681 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](COC(F)F)C2)c1 ZINC000353009832 359056206 /nfs/dbraw/zinc/05/62/06/359056206.db2.gz ROWVAGDDCJWBLS-SECBINFHSA-N 0 3 290.270 1.352 20 5 CDBDHN CC(C)O[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000572153067 359926414 /nfs/dbraw/zinc/92/64/14/359926414.db2.gz ADAHTUABGORJBD-CYBMUJFWSA-N 0 3 295.339 1.256 20 5 CDBDHN CCNC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135721421 359950957 /nfs/dbraw/zinc/95/09/57/359950957.db2.gz NUKKNZCOPUWNHZ-SNVBAGLBSA-N 0 3 265.313 1.772 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(N)CCC1 ZINC000147902497 360497955 /nfs/dbraw/zinc/49/79/55/360497955.db2.gz RLGODGFRJHJUBA-UHFFFAOYSA-N 0 3 263.297 1.435 20 5 CDBDHN CC(C)N(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178564438 189126977 /nfs/dbraw/zinc/12/69/77/189126977.db2.gz ANICHBLQXLLKON-CYBMUJFWSA-N 0 3 268.313 1.331 20 5 CDBDHN CC(C)(C)[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000178869218 189151411 /nfs/dbraw/zinc/15/14/11/189151411.db2.gz GARGQAGSIITDBI-NWDGAFQWSA-N 0 3 295.339 1.118 20 5 CDBDHN CNC(=O)c1ccc(SCCN(C)C)c([N+](=O)[O-])c1 ZINC000301612432 201093944 /nfs/dbraw/zinc/09/39/44/201093944.db2.gz SIJDPGZODJVONZ-UHFFFAOYSA-N 0 3 283.353 1.608 20 5 CDBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000580339855 363902295 /nfs/dbraw/zinc/90/22/95/363902295.db2.gz JHEJEOXKIWTYCD-QWRGUYRKSA-N 0 3 264.329 1.909 20 5 CDBDHN C[C@@H](C[S@](C)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000168164844 363968146 /nfs/dbraw/zinc/96/81/46/363968146.db2.gz RXROQIZOFQKTBH-HUTHGQBESA-N 0 3 256.327 1.451 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178027 364393552 /nfs/dbraw/zinc/39/35/52/364393552.db2.gz SAYZXCVHJIPVTD-CABZTGNLSA-N 0 3 262.313 1.884 20 5 CDBDHN C[C@H](NC(=O)N1CCCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000417124849 242327293 /nfs/dbraw/zinc/32/72/93/242327293.db2.gz AFMWVHJEKICTPH-NSHDSACASA-N 0 3 292.339 1.661 20 5 CDBDHN C[C@H]1C[C@H](CO)CN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952504 244492266 /nfs/dbraw/zinc/49/22/66/244492266.db2.gz XZJKGGLJQJYRMJ-STQMWFEESA-N 0 3 294.351 1.924 20 5 CDBDHN COc1cc(C(=O)N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1F ZINC000295475754 370364553 /nfs/dbraw/zinc/36/45/53/370364553.db2.gz MELWZRCLURVRIV-QMMMGPOBSA-N 0 3 299.302 1.422 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000168681524 370432521 /nfs/dbraw/zinc/43/25/21/370432521.db2.gz SXUOZORLFNOUHA-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN CNCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000162241191 370574943 /nfs/dbraw/zinc/57/49/43/370574943.db2.gz HBZJRLZREJSEOZ-UHFFFAOYSA-N 0 3 251.286 1.166 20 5 CDBDHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1[N+](=O)[O-] ZINC000266462420 372926642 /nfs/dbraw/zinc/92/66/42/372926642.db2.gz MLAMCTQTCCTFIC-WDEREUQCSA-N 0 3 287.323 1.852 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269635447 373249430 /nfs/dbraw/zinc/24/94/30/373249430.db2.gz HEZTZOVDPBCNQO-LBPRGKRZSA-N 0 3 268.313 1.331 20 5 CDBDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000169002307 373856794 /nfs/dbraw/zinc/85/67/94/373856794.db2.gz XNZCZAJMPWLVCR-ZETCQYMHSA-N 0 3 265.273 1.493 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000298788723 374185207 /nfs/dbraw/zinc/18/52/07/374185207.db2.gz OWHFQOYXQSBDNL-MRVPVSSYSA-N 0 3 269.276 1.414 20 5 CDBDHN C[C@H]1C[C@@H](CO)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420943747 374307225 /nfs/dbraw/zinc/30/72/25/374307225.db2.gz QEPHQHMBOBXDCL-QWHCGFSZSA-N 0 3 294.351 1.924 20 5 CDBDHN COCCN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000299245809 374592913 /nfs/dbraw/zinc/59/29/13/374592913.db2.gz OWMVFQCDSDNZHD-UHFFFAOYSA-N 0 3 280.328 1.513 20 5 CDBDHN CN(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000299258921 374652563 /nfs/dbraw/zinc/65/25/63/374652563.db2.gz AZKAKXJWRZGVIM-UHFFFAOYSA-N 0 3 278.312 1.811 20 5 CDBDHN CCc1n[nH]c(C(=O)N2CCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000277931775 374822933 /nfs/dbraw/zinc/82/29/33/374822933.db2.gz JMULNEKRWYDRGR-SECBINFHSA-N 0 3 295.343 1.047 20 5 CDBDHN CCc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000277931775 374822936 /nfs/dbraw/zinc/82/29/36/374822936.db2.gz JMULNEKRWYDRGR-SECBINFHSA-N 0 3 295.343 1.047 20 5 CDBDHN CN(C)C[C@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658212 375040319 /nfs/dbraw/zinc/04/03/19/375040319.db2.gz ANYMILRONJOGMK-UKRRQHHQSA-N 0 3 293.367 1.484 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc[nH]1 ZINC000282492468 375089166 /nfs/dbraw/zinc/08/91/66/375089166.db2.gz PZNYXTHFBWHGEF-UHFFFAOYSA-N 0 3 260.297 1.992 20 5 CDBDHN CN(C)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000353349266 375599476 /nfs/dbraw/zinc/59/94/76/375599476.db2.gz GHYUUXDMYHKAII-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN COc1c(C(=O)N(C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000356291806 375831631 /nfs/dbraw/zinc/83/16/31/375831631.db2.gz XWXKQGGFLYUNBB-UHFFFAOYSA-N 0 3 281.312 1.237 20 5 CDBDHN Cc1ccc(CNC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000229641509 375933965 /nfs/dbraw/zinc/93/39/65/375933965.db2.gz UNDDYWHGDSBYLD-ZDUSSCGKSA-N 0 3 266.297 1.144 20 5 CDBDHN C[C@@H]1OCC[C@@]1(O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000433186978 248005271 /nfs/dbraw/zinc/00/52/71/248005271.db2.gz MGNFWRGLEGWFIR-NTMLRVMTSA-N 0 3 292.335 1.738 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@]1(O)CCOC1 ZINC000269954209 377825013 /nfs/dbraw/zinc/82/50/13/377825013.db2.gz HRQKPZAIOYPALK-LYKUJDHUSA-N 0 3 278.308 1.349 20 5 CDBDHN CCC1(O)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266965156 378936023 /nfs/dbraw/zinc/93/60/23/378936023.db2.gz ZEHAYNJQVQYKPE-UHFFFAOYSA-N 0 3 268.317 1.028 20 5 CDBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000245869904 379347500 /nfs/dbraw/zinc/34/75/00/379347500.db2.gz GRMTUJYXYSUKPY-WDEREUQCSA-N 0 3 252.318 1.769 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCCN1CCCO ZINC000450598789 251359786 /nfs/dbraw/zinc/35/97/86/251359786.db2.gz RFHFRRBXAHDHPR-LBPRGKRZSA-N 0 3 297.330 1.993 20 5 CDBDHN CN(C)C/C=C\C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000491645870 253094571 /nfs/dbraw/zinc/09/45/71/253094571.db2.gz SHTPGBLRLZGDCJ-ARJAWSKDSA-N 0 3 263.297 1.329 20 5 CDBDHN Cc1c(CC(=O)N[C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000287265229 196818235 /nfs/dbraw/zinc/81/82/35/196818235.db2.gz SCXXGYHILTVYHS-JTQLQIEISA-N 0 3 279.340 1.512 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)c1 ZINC000359278170 390210205 /nfs/dbraw/zinc/21/02/05/390210205.db2.gz AVAOYFIASAHSHU-LLVKDONJSA-N 0 3 277.324 1.727 20 5 CDBDHN C[C@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])CCN1C ZINC000134782757 390213401 /nfs/dbraw/zinc/21/34/01/390213401.db2.gz YCTSSFVDQLXFKH-VHSXEESVSA-N 0 3 250.302 1.884 20 5 CDBDHN Cc1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000019275684 390471778 /nfs/dbraw/zinc/47/17/78/390471778.db2.gz HTMCQIARBYTBMI-UHFFFAOYSA-N 0 3 263.297 1.339 20 5 CDBDHN CO[C@@H]1[C@H](C)[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451506823 390629038 /nfs/dbraw/zinc/62/90/38/390629038.db2.gz WCMRWGFNMVDWRE-FBIMIBRVSA-N 0 3 282.344 1.477 20 5 CDBDHN CCN1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000287261269 390871110 /nfs/dbraw/zinc/87/11/10/390871110.db2.gz KCPIYNYJFMYBED-UHFFFAOYSA-N 0 3 264.329 1.709 20 5 CDBDHN CC(C)[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000089307342 390875206 /nfs/dbraw/zinc/87/52/06/390875206.db2.gz RAKDEUHNGPYTIW-AWEZNQCLSA-N 0 3 293.367 1.840 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000190977097 130168189 /nfs/dbraw/zinc/16/81/89/130168189.db2.gz WEJQDEBQDCNNBZ-UHFFFAOYSA-N 0 3 280.324 1.568 20 5 CDBDHN CO[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000487987898 391930745 /nfs/dbraw/zinc/93/07/45/391930745.db2.gz LZPJYACIVMFSSQ-KBPBESRZSA-N 0 3 280.324 1.483 20 5 CDBDHN C[C@@H](NC[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459395428 392431143 /nfs/dbraw/zinc/43/11/43/392431143.db2.gz PJIBOZVGJPRRDM-ZYHUDNBSSA-N 0 3 277.324 1.772 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2nnnn2CC1 ZINC000421403808 392934996 /nfs/dbraw/zinc/93/49/96/392934996.db2.gz XYRONJHNXZQFKL-NSHDSACASA-N 0 3 288.311 1.076 20 5 CDBDHN Cc1c(CNC(=O)[C@@H]2CCCCN2)cccc1[N+](=O)[O-] ZINC000231856046 140219502 /nfs/dbraw/zinc/21/95/02/140219502.db2.gz SUSKRRUXCDWNDK-LBPRGKRZSA-N 0 3 277.324 1.662 20 5 CDBDHN CC(C)[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000269014188 397666278 /nfs/dbraw/zinc/66/62/78/397666278.db2.gz BFJZHFPSSYDDIP-GFCCVEGCSA-N 0 3 280.328 1.106 20 5 CDBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000106790850 147244185 /nfs/dbraw/zinc/24/41/85/147244185.db2.gz XWMJEPRKLROHFV-SNVBAGLBSA-N 0 3 293.323 1.935 20 5 CDBDHN CCOC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244486 148030108 /nfs/dbraw/zinc/03/01/08/148030108.db2.gz KULAULUMFGQBON-GFCCVEGCSA-N 0 3 282.344 1.540 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354073741 156255477 /nfs/dbraw/zinc/25/54/77/156255477.db2.gz QXLULQIBZFAPCH-SNVBAGLBSA-N 0 3 291.311 1.205 20 5 CDBDHN COc1cc(CN2C[C@H](C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000362072107 159059544 /nfs/dbraw/zinc/05/95/44/159059544.db2.gz KORGDFQEMLHZOP-CMPLNLGQSA-N 0 3 280.324 1.664 20 5 CDBDHN CC[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000035603896 172292327 /nfs/dbraw/zinc/29/23/27/172292327.db2.gz XUPUAZVRADUJFS-SNVBAGLBSA-N 0 3 254.286 1.464 20 5 CDBDHN Cc1ccnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000078835317 177396244 /nfs/dbraw/zinc/39/62/44/177396244.db2.gz ZELXOTZYJFOEAR-VXGBXAGGSA-N 0 3 292.339 1.573 20 5 CDBDHN COc1cc(CN[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000361029113 274094442 /nfs/dbraw/zinc/09/44/42/274094442.db2.gz HLVLYGDRNFZMDB-NXEZZACHSA-N 0 3 298.339 1.861 20 5 CDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)N1C ZINC000292802829 274364354 /nfs/dbraw/zinc/36/43/54/274364354.db2.gz NKDVEBCYDJAUQI-DTORHVGOSA-N 0 3 291.311 1.660 20 5 CDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000286330422 274621377 /nfs/dbraw/zinc/62/13/77/274621377.db2.gz LLBMKOZQLLNHQZ-QWRGUYRKSA-N 0 3 277.328 1.448 20 5 CDBDHN CCN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412127233 276070585 /nfs/dbraw/zinc/07/05/85/276070585.db2.gz SIINHSBQVUEFOD-UONOGXRCSA-N 0 3 291.351 1.766 20 5 CDBDHN Cc1c(C(=O)N2CCCNCC2)cccc1[N+](=O)[O-] ZINC000019402485 278585352 /nfs/dbraw/zinc/58/53/52/278585352.db2.gz QNRPNCHYKRZQHP-UHFFFAOYSA-N 0 3 263.297 1.339 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CCNC(C)(C)C2)n1 ZINC000212771515 281012906 /nfs/dbraw/zinc/01/29/06/281012906.db2.gz UIGDPIGHTQBDIU-UHFFFAOYSA-N 0 3 250.302 1.486 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000178243328 281014002 /nfs/dbraw/zinc/01/40/02/281014002.db2.gz WPHPZZMUSUCMNY-NEPJUHHUSA-N 0 3 276.340 1.971 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)CN(C)C ZINC000154309820 289201543 /nfs/dbraw/zinc/20/15/43/289201543.db2.gz UQTXMLKLYUMEND-YPMHNXCESA-N 0 3 281.356 1.476 20 5 CDBDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294450989 298909574 /nfs/dbraw/zinc/90/95/74/298909574.db2.gz VQKGRJWQECOOFR-MGOSUKFUSA-N 0 3 285.369 1.595 20 5 CDBDHN CCN(C)CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000582916268 325071421 /nfs/dbraw/zinc/07/14/21/325071421.db2.gz WLMYHBFJZUOTLG-UHFFFAOYSA-N 0 3 282.344 1.563 20 5 CDBDHN CC(C)C[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000150755038 519366773 /nfs/dbraw/zinc/36/67/73/519366773.db2.gz FPWKQFVOSSGOCS-ZDUSSCGKSA-N 0 3 294.355 1.496 20 5 CDBDHN CC(=O)N1CC[C@H](CN(C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000156423238 519625621 /nfs/dbraw/zinc/62/56/21/519625621.db2.gz URRHVYOZLMGOPO-CQSZACIVSA-N 0 3 291.351 1.895 20 5 CDBDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000050708749 519814423 /nfs/dbraw/zinc/81/44/23/519814423.db2.gz XIEMZXLRWNKLCX-LBPRGKRZSA-N 0 3 294.355 1.493 20 5 CDBDHN COCCCN(CCO)Cc1cccc([N+](=O)[O-])c1 ZINC000189899702 536522445 /nfs/dbraw/zinc/52/24/45/536522445.db2.gz MLNOVVIXMOSTTD-UHFFFAOYSA-N 0 3 268.313 1.426 20 5 CDBDHN COC(=O)c1ccc(OC[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000187671668 538448411 /nfs/dbraw/zinc/44/84/11/538448411.db2.gz SYKZMGWENYNGPE-JTQLQIEISA-N 0 3 294.307 1.712 20 5 CDBDHN COc1cc(CNCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1[O-] ZINC000895298962 619528139 /nfs/dbraw/zinc/52/81/39/619528139.db2.gz CTAZNYQXAWUSTE-SNVBAGLBSA-N 0 3 297.355 1.739 20 5 CDBDHN O=[N+]([O-])c1cc(CNCC[C@@H](O)C2CC2)cs1 ZINC000898205206 621362172 /nfs/dbraw/zinc/36/21/72/621362172.db2.gz BMKDBOHVMQBMNE-SNVBAGLBSA-N 0 3 256.327 1.907 20 5 CDBDHN CC[C@@H](CNCC[N+](=O)[O-])Oc1cccc(F)c1 ZINC000905158132 626640648 /nfs/dbraw/zinc/64/06/48/626640648.db2.gz DPYNCMWJVRJGOR-NSHDSACASA-N 0 3 256.277 1.849 20 5 CDBDHN C[C@@H](O)[C@](C)(CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905366032 626785103 /nfs/dbraw/zinc/78/51/03/626785103.db2.gz SCVWGDJELLLTFB-OCCSQVGLSA-N 0 3 266.341 1.483 20 5 CDBDHN CC[C@@H](CO)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000915875619 631849633 /nfs/dbraw/zinc/84/96/33/631849633.db2.gz ULHKWQMQOFALRK-UWVGGRQHSA-N 0 3 281.312 1.282 20 5 CDBDHN COc1ccc(C[C@H](C)N2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327651 1162337312 /nfs/dbraw/zinc/33/73/12/1162337312.db2.gz GVQKUEOZXMMZRN-CMPLNLGQSA-N 0 3 280.324 1.601 20 5 CDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])oc2c1C(=O)CCC2 ZINC000813110329 1163815518 /nfs/dbraw/zinc/81/55/18/1163815518.db2.gz XYSVPLYUTFMZSK-ZETCQYMHSA-N 0 3 281.264 1.929 20 5 CDBDHN CC(COC(=O)c1ccc(-n2ccnn2)cc1)[N+](=O)[O-] ZINC000813111104 1163816641 /nfs/dbraw/zinc/81/66/41/1163816641.db2.gz COZSWFCWNLLAMZ-SECBINFHSA-N 0 3 276.252 1.089 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H]1C[C@H](O)C1)OCCO2 ZINC000873177616 784093645 /nfs/dbraw/zinc/09/36/45/784093645.db2.gz XPESLHIQKQEXCI-HOMQSWHASA-N 0 3 294.307 1.227 20 5 CDBDHN Cc1c(CNCCOCCO)cccc1[N+](=O)[O-] ZINC000052925152 784881337 /nfs/dbraw/zinc/88/13/37/784881337.db2.gz CFNKSANPCDBQHB-UHFFFAOYSA-N 0 3 254.286 1.002 20 5 CDBDHN CC(COC(=O)c1c[nH]c(C(F)(F)F)c1)[N+](=O)[O-] ZINC000797279165 785422785 /nfs/dbraw/zinc/42/27/85/785422785.db2.gz JPBXMXIFWWCPDK-YFKPBYRVSA-N 0 3 266.175 1.856 20 5 CDBDHN CCN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776276885 785814920 /nfs/dbraw/zinc/81/49/20/785814920.db2.gz KZPSQSBGVMEPHZ-SWLSCSKDSA-N 0 3 293.367 1.654 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNC[C@H](O)c2ccccc2F)c1 ZINC000819176661 786359060 /nfs/dbraw/zinc/35/90/60/786359060.db2.gz LWMMRNFUFOAIEX-ZDUSSCGKSA-N 0 3 294.286 1.254 20 5 CDBDHN Cc1nnc(-c2ccccc2C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813103932 786401808 /nfs/dbraw/zinc/40/18/08/786401808.db2.gz IRHUNBFYYMVQSH-MRVPVSSYSA-N 0 3 291.263 1.867 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CNCCO1 ZINC000134275456 786861351 /nfs/dbraw/zinc/86/13/51/786861351.db2.gz HGMLZWVVKNVAMW-QMMMGPOBSA-N 0 3 272.692 1.044 20 5 CDBDHN Cc1cc(F)cc(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000176901484 787064910 /nfs/dbraw/zinc/06/49/10/787064910.db2.gz WYVWOZHOKOKQPV-UHFFFAOYSA-N 0 3 295.314 1.868 20 5 CDBDHN Cc1cc(NCCN(C)CCOCCO)ccc1[N+](=O)[O-] ZINC000882951368 787125713 /nfs/dbraw/zinc/12/57/13/787125713.db2.gz AZQMBHPWFAUFMX-UHFFFAOYSA-N 0 3 297.355 1.256 20 5 CDBDHN CCn1ncc(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000857029458 787480882 /nfs/dbraw/zinc/48/08/82/787480882.db2.gz NCWKJYQUDBOQKY-LURJTMIESA-N 0 3 261.665 1.378 20 5 CDBDHN CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000846891607 787562962 /nfs/dbraw/zinc/56/29/62/787562962.db2.gz YNZZHTVUYLZLCT-CQSZACIVSA-N 0 3 293.367 1.654 20 5 CDBDHN CO[C@H](C)C(=N)NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853674102 787633731 /nfs/dbraw/zinc/63/37/31/787633731.db2.gz RLTCKCUDTXXRIO-ZCFIWIBFSA-N 0 3 289.238 1.906 20 5 CDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccccn1 ZINC000813110025 787867552 /nfs/dbraw/zinc/86/75/52/787867552.db2.gz RAXGRJAYDBBJGG-SECBINFHSA-N 0 3 290.279 1.398 20 5 CDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000923266063 788036631 /nfs/dbraw/zinc/03/66/31/788036631.db2.gz ODLRTUJFUQVUEU-NWDGAFQWSA-N 0 3 283.372 1.517 20 5 CDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccccc1 ZINC000813107485 789369702 /nfs/dbraw/zinc/36/97/02/789369702.db2.gz QXXUAUSKLDNZFX-SECBINFHSA-N 0 3 290.279 1.398 20 5 CDBDHN COC(=O)C[C@@](C)(NCc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886309130 789812553 /nfs/dbraw/zinc/81/25/53/789812553.db2.gz UOSPWNYUDHWZTP-CQSZACIVSA-N 0 3 293.323 1.811 20 5 CDBDHN CO[C@@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001173229207 912319615 /nfs/dbraw/zinc/31/96/15/912319615.db2.gz RNZSHLHGUXZXBQ-TUKIKUTGSA-N 0 3 294.351 1.871 20 5 CDBDHN C[C@H]1COC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000699772561 914245968 /nfs/dbraw/zinc/24/59/68/914245968.db2.gz DOFRFDCEMHLFPR-KWQFWETISA-N 0 3 254.261 1.858 20 5 CDBDHN C[C@H](N)c1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000124300228 900284586 /nfs/dbraw/zinc/28/45/86/900284586.db2.gz UIXRTUCEIUWKSV-ZETCQYMHSA-N 0 3 281.703 1.908 20 5 CDBDHN CC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001127845456 918746737 /nfs/dbraw/zinc/74/67/37/918746737.db2.gz GJRXODYQDLXGEB-UHFFFAOYSA-N 0 3 277.324 1.601 20 5 CDBDHN COC(=O)N(C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000689525307 936761966 /nfs/dbraw/zinc/76/19/66/936761966.db2.gz KDGINXZIHYTXQZ-JTQLQIEISA-N 0 3 281.312 1.944 20 5 CDBDHN CCOc1nc(N2CC(C)(N(C)C)C2)ccc1[N+](=O)[O-] ZINC001165119466 924971989 /nfs/dbraw/zinc/97/19/89/924971989.db2.gz AGMMDAORMTXCMR-UHFFFAOYSA-N 0 3 280.328 1.529 20 5 CDBDHN CC(C)Cn1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000842801280 937081570 /nfs/dbraw/zinc/08/15/70/937081570.db2.gz FIBKCGZMTKFSHZ-SECBINFHSA-N 0 3 255.274 1.361 20 5 CDBDHN NC(=O)[C@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006354 927611783 /nfs/dbraw/zinc/61/17/83/927611783.db2.gz XRQLTUABVVNCGH-KGYLQXTDSA-N 0 3 277.324 1.248 20 5 CDBDHN NCc1ccc(N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168990505 927629071 /nfs/dbraw/zinc/62/90/71/927629071.db2.gz ZTIHRDLNFHJJEA-ZJUUUORDSA-N 0 3 250.302 1.398 20 5 CDBDHN Cc1cc(CN(C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001169027497 927632173 /nfs/dbraw/zinc/63/21/73/927632173.db2.gz QJACGIQJWIVYAD-RYUDHWBXSA-N 0 3 266.345 1.606 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3cccnn3)CC2)C1 ZINC001169033981 927642418 /nfs/dbraw/zinc/64/24/18/927642418.db2.gz DWLSSBNPWUHVIP-CHWSQXEVSA-N 0 3 291.355 1.044 20 5 CDBDHN Cc1cc(CN)nn1-c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001156039923 938313341 /nfs/dbraw/zinc/31/33/41/938313341.db2.gz ZPTNWECBKVZULE-UHFFFAOYSA-N 0 3 281.703 1.904 20 5 CDBDHN O=[N+]([O-])c1ccc2ncc(N3CCN4CC[C@@H]4C3)nc2c1 ZINC001158424063 938622729 /nfs/dbraw/zinc/62/27/29/938622729.db2.gz SDZOKDAWFBRHDQ-LLVKDONJSA-N 0 3 285.307 1.432 20 5 CDBDHN O=[N+]([O-])c1cc(N2CCN3CC[C@@H]3C2)nc2[nH]ccc21 ZINC001158431635 938624671 /nfs/dbraw/zinc/62/46/71/938624671.db2.gz FJMUZRWTAARINY-SECBINFHSA-N 0 3 273.296 1.365 20 5 CDBDHN Cc1cc(CN)nn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001163986351 939373664 /nfs/dbraw/zinc/37/36/64/939373664.db2.gz ZYDSTEGHXJKDCU-UHFFFAOYSA-N 0 3 272.268 1.424 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2-n1ncc2c1CCNC2 ZINC001165218338 939526029 /nfs/dbraw/zinc/52/60/29/939526029.db2.gz BMXVDGLTRGKWSO-UHFFFAOYSA-N 0 3 296.290 1.369 20 5 CDBDHN CC(COC(=O)c1cc2c(cc1Cl)NC(=O)C2)[N+](=O)[O-] ZINC001263502614 943875753 /nfs/dbraw/zinc/87/57/53/943875753.db2.gz XYEDOSOBWRRYJA-LURJTMIESA-N 0 3 298.682 1.657 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CN2C ZINC001254566302 947527842 /nfs/dbraw/zinc/52/78/42/947527842.db2.gz SNEWKGJCMZOWIG-UBHSHLNASA-N 0 3 275.352 1.914 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[C@H]1CN2C ZINC001254566307 947528634 /nfs/dbraw/zinc/52/86/34/947528634.db2.gz SNEWKGJCMZOWIG-XBFCOCLRSA-N 0 3 275.352 1.914 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H](CO)c1ccncc1)C2 ZINC001254580569 947537698 /nfs/dbraw/zinc/53/76/98/947537698.db2.gz GNNAVAUMYNWPEM-ZBFHGGJFSA-N 0 3 299.330 1.780 20 5 CDBDHN CC(C)(C)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC001334032525 954081022 /nfs/dbraw/zinc/08/10/22/954081022.db2.gz KMVQOXSVZMDOOF-UHFFFAOYSA-N 0 3 278.356 1.906 20 5 CDBDHN CC(COC(=O)c1c2ccccc2nn1C)[N+](=O)[O-] ZINC001345776663 964811681 /nfs/dbraw/zinc/81/16/81/964811681.db2.gz PEFPIGIASMBDII-QMMMGPOBSA-N 0 3 263.253 1.395 20 5 CDBDHN CC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856509 341994778 /nfs/dbraw/zinc/99/47/78/341994778.db2.gz HZRHWLXENQPFAY-SNVBAGLBSA-N 0 3 251.286 1.257 20 5 CDBDHN C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN(C2CC2)C1 ZINC000590703693 342582507 /nfs/dbraw/zinc/58/25/07/342582507.db2.gz UUYIUXGRAPZWFO-SNVBAGLBSA-N 0 3 279.344 1.249 20 5 CDBDHN C[C@@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000125166783 187173208 /nfs/dbraw/zinc/17/32/08/187173208.db2.gz HYWMZBQWKYEADP-SNVBAGLBSA-N 0 3 290.323 1.466 20 5 CDBDHN Cc1c([C@@H](C)NC[C@@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000600709267 342243408 /nfs/dbraw/zinc/24/34/08/342243408.db2.gz HXDLIQPNKMQEHS-VXGBXAGGSA-N 0 3 279.340 1.542 20 5 CDBDHN CC[C@H](NC[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600710973 342243582 /nfs/dbraw/zinc/24/35/82/342243582.db2.gz RCDDCEGLUMLYGK-JSGCOSHPSA-N 0 3 279.340 1.624 20 5 CDBDHN C[C@H]1C[C@H](C)CN(CCn2cnc([N+](=O)[O-])n2)C1 ZINC000594885521 342968449 /nfs/dbraw/zinc/96/84/49/342968449.db2.gz GVORJQSVHLIKIR-UWVGGRQHSA-N 0 3 253.306 1.164 20 5 CDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC/C=C/CO ZINC000595072261 343002660 /nfs/dbraw/zinc/00/26/60/343002660.db2.gz RCUFDQZRYYJFFJ-KXMPLOMGSA-N 0 3 293.323 1.450 20 5 CDBDHN CN1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595290412 343024233 /nfs/dbraw/zinc/02/42/33/343024233.db2.gz BAHKJHDVNFSHJB-UHFFFAOYSA-N 0 3 267.304 1.871 20 5 CDBDHN C[C@@H](O)[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000595767177 343146216 /nfs/dbraw/zinc/14/62/16/343146216.db2.gz WFWZGVWARYRYGD-ZYHUDNBSSA-N 0 3 250.298 1.940 20 5 CDBDHN O=[N+]([O-])c1sccc1NCCCN1CCC(O)CC1 ZINC000596085944 343220019 /nfs/dbraw/zinc/22/00/19/343220019.db2.gz PVBXRSBHYWGODV-UHFFFAOYSA-N 0 3 285.369 1.915 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC1(C)C ZINC000595910230 343190020 /nfs/dbraw/zinc/19/00/20/343190020.db2.gz RXNOONWYBIVWEC-NSHDSACASA-N 0 3 279.340 1.734 20 5 CDBDHN CC[NH+](CC)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596141136 343241711 /nfs/dbraw/zinc/24/17/11/343241711.db2.gz GPSRJHLHAPIWHH-SNVBAGLBSA-N 0 3 280.328 1.616 20 5 CDBDHN CN(CCN1CCCCC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596295837 343290802 /nfs/dbraw/zinc/29/08/02/343290802.db2.gz OXUYWZQJFMBWKW-UHFFFAOYSA-N 0 3 279.344 1.494 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598342585 343770836 /nfs/dbraw/zinc/77/08/36/343770836.db2.gz LKIJVWFVWIBRQI-NSHDSACASA-N 0 3 277.324 1.809 20 5 CDBDHN CC1(C)CC[C@H](CO)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000598647477 343857023 /nfs/dbraw/zinc/85/70/23/343857023.db2.gz MXRLAUBHABWTER-LLVKDONJSA-N 0 3 282.344 1.274 20 5 CDBDHN COc1cc(CN[C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1OC ZINC000599013968 343944156 /nfs/dbraw/zinc/94/41/56/343944156.db2.gz CRKZDEAHEWMWOG-XYPYZODXSA-N 0 3 296.323 1.879 20 5 CDBDHN O=[N+]([O-])c1cccc(CN(CCCO)C2CC2)c1 ZINC000265445151 362255676 /nfs/dbraw/zinc/25/56/76/362255676.db2.gz RJBTXNJCJOONCN-UHFFFAOYSA-N 0 3 250.298 1.942 20 5 CDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H](C)N1 ZINC000599110304 343954575 /nfs/dbraw/zinc/95/45/75/343954575.db2.gz POXDRNVTVKOHGF-OCAPTIKFSA-N 0 3 254.265 1.316 20 5 CDBDHN CCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000273195034 192071711 /nfs/dbraw/zinc/07/17/11/192071711.db2.gz QLGWQKYFJARDFH-JTQLQIEISA-N 0 3 265.317 1.671 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@H](C(C)C)C1 ZINC000602833393 344614516 /nfs/dbraw/zinc/61/45/16/344614516.db2.gz YRDGAZRLSBEZAM-ZDUSSCGKSA-N 0 3 295.387 1.372 20 5 CDBDHN CO[C@]1(C)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602819398 344608576 /nfs/dbraw/zinc/60/85/76/344608576.db2.gz AUBVXNOIPNCFTF-CYBMUJFWSA-N 0 3 282.344 1.601 20 5 CDBDHN CO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1(C)C ZINC000602842203 344622197 /nfs/dbraw/zinc/62/21/97/344622197.db2.gz QTWSZLJWUPZDLQ-LBPRGKRZSA-N 0 3 296.371 1.847 20 5 CDBDHN CC1=CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273262096 192091993 /nfs/dbraw/zinc/09/19/93/192091993.db2.gz ZJQVCFXLLVBDTG-ZDUSSCGKSA-N 0 3 292.335 1.987 20 5 CDBDHN C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000617698468 345921038 /nfs/dbraw/zinc/92/10/38/345921038.db2.gz XJSKLKBSMRGKFE-MNOVXSKESA-N 0 3 279.340 1.765 20 5 CDBDHN C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057707832 348844116 /nfs/dbraw/zinc/84/41/16/348844116.db2.gz ZXAPOCYFHJLCIX-MRVPVSSYSA-N 0 3 283.353 1.869 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C1CC1 ZINC000067282735 349020139 /nfs/dbraw/zinc/02/01/39/349020139.db2.gz BIXZSDPBRRRYST-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN COc1ccc(NC(=O)[C@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000383013713 362937236 /nfs/dbraw/zinc/93/72/36/362937236.db2.gz FDRMJEORFSJQIO-QMMMGPOBSA-N 0 3 279.296 1.682 20 5 CDBDHN C[C@H](NCC1(CO)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000090644505 180018003 /nfs/dbraw/zinc/01/80/03/180018003.db2.gz OJQWGEYBGCRZAH-JTQLQIEISA-N 0 3 266.297 1.254 20 5 CDBDHN CCc1nn(C)c(NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000091562298 180192529 /nfs/dbraw/zinc/19/25/29/180192529.db2.gz UIGPKEPIELIIGF-VIFPVBQESA-N 0 3 267.333 1.254 20 5 CDBDHN CC(C)(O)[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000136253774 362953316 /nfs/dbraw/zinc/95/33/16/362953316.db2.gz OPKOEAFAMYJBED-LLVKDONJSA-N 0 3 268.317 1.027 20 5 CDBDHN COc1ccc(CN(C)C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000079767477 350965394 /nfs/dbraw/zinc/96/53/94/350965394.db2.gz ODRJBRJIEAFHPP-CYBMUJFWSA-N 0 3 280.324 1.806 20 5 CDBDHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000292364604 198259686 /nfs/dbraw/zinc/25/96/86/198259686.db2.gz WHUMXYXTWWLBPW-ZDUSSCGKSA-N 0 3 295.364 1.824 20 5 CDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1N(C)C ZINC000271775275 191317998 /nfs/dbraw/zinc/31/79/98/191317998.db2.gz JEELEONGFKZUHK-PSASIEDQSA-N 0 3 299.352 1.305 20 5 CDBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000273021408 192020904 /nfs/dbraw/zinc/02/09/04/192020904.db2.gz UAMAWJHYRMAOIL-LLVKDONJSA-N 0 3 289.335 1.975 20 5 CDBDHN CCCCCN(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000174863232 188921595 /nfs/dbraw/zinc/92/15/95/188921595.db2.gz NVQPKVVGAGWJCI-UHFFFAOYSA-N 0 3 270.333 1.276 20 5 CDBDHN COc1ccc(CNC[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038062011 356352527 /nfs/dbraw/zinc/35/25/27/356352527.db2.gz WEFMHAGELYGBRA-NSHDSACASA-N 0 3 282.296 1.108 20 5 CDBDHN CCOC(=O)c1ccnc(N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000286536427 356956637 /nfs/dbraw/zinc/95/66/37/356956637.db2.gz VIFDKDGFDAIPOU-VIFPVBQESA-N 0 3 296.327 1.529 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCc3n[nH]cc3C2)cc1 ZINC000118854101 357036919 /nfs/dbraw/zinc/03/69/19/357036919.db2.gz SLZBFPWBTRNNCZ-UHFFFAOYSA-N 0 3 272.308 1.919 20 5 CDBDHN O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000046993269 357151125 /nfs/dbraw/zinc/15/11/25/357151125.db2.gz ZMEXEXMKQZDPNA-VHSXEESVSA-N 0 3 279.296 1.544 20 5 CDBDHN CN(C[C@H](O)COc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000290537610 357212854 /nfs/dbraw/zinc/21/28/54/357212854.db2.gz DUGIZKAYXQJTFZ-NSHDSACASA-N 0 3 284.287 1.568 20 5 CDBDHN COCCN1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000264559488 357379221 /nfs/dbraw/zinc/37/92/21/357379221.db2.gz FFHVUFWKRVPDQT-LLVKDONJSA-N 0 3 265.313 1.727 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[C@@H](O)C1 ZINC000188833760 357943033 /nfs/dbraw/zinc/94/30/33/357943033.db2.gz STNINQOWCIWBDE-ZYHUDNBSSA-N 0 3 250.298 1.845 20 5 CDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287094975 358095412 /nfs/dbraw/zinc/09/54/12/358095412.db2.gz LCLQMWPWTPFCDK-JQWIXIFHSA-N 0 3 292.339 1.622 20 5 CDBDHN Cc1cc(NC[C@@H](C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000264840917 358723270 /nfs/dbraw/zinc/72/32/70/358723270.db2.gz JVHFGMZGFIQGRD-CYBMUJFWSA-N 0 3 292.383 1.951 20 5 CDBDHN COC[C@H](O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539060756 358950324 /nfs/dbraw/zinc/95/03/24/358950324.db2.gz QUHMIVJMDANMTL-DGCLKSJQSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@H](NCCN1CCCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451107176 359035644 /nfs/dbraw/zinc/03/56/44/359035644.db2.gz YKTOQKFOFIPIFR-ZDUSSCGKSA-N 0 3 293.367 1.968 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C ZINC000339620065 359418055 /nfs/dbraw/zinc/41/80/55/359418055.db2.gz SUKGVWUBWSWTSP-CHWSQXEVSA-N 0 3 293.367 1.998 20 5 CDBDHN Cc1nc(N(C)[C@@H]2CCN(C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297359058 200161094 /nfs/dbraw/zinc/16/10/94/200161094.db2.gz BWFBKXVUNCMXPN-MWLCHTKSSA-N 0 3 279.344 1.470 20 5 CDBDHN CC(COC(=O)c1cccc(N2CCOC2=O)c1)[N+](=O)[O-] ZINC000496332740 359916765 /nfs/dbraw/zinc/91/67/65/359916765.db2.gz UEBILSUKQTWTJK-VIFPVBQESA-N 0 3 294.263 1.465 20 5 CDBDHN COC[C@]1(CO)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924147 360233966 /nfs/dbraw/zinc/23/39/66/360233966.db2.gz IGUIILSKDAPSHA-IUODEOHRSA-N 0 3 294.351 1.987 20 5 CDBDHN C[C@@H]1[C@@H](C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177870909 189075428 /nfs/dbraw/zinc/07/54/28/189075428.db2.gz HDCCITJMKFEXKL-VHSXEESVSA-N 0 3 277.324 1.924 20 5 CDBDHN CN1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600964567 360564181 /nfs/dbraw/zinc/56/41/81/360564181.db2.gz QUVVUHVHSJBUOP-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CC1(C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544700360 360801203 /nfs/dbraw/zinc/80/12/03/360801203.db2.gz OPYASWWCJCGSKA-LLVKDONJSA-N 0 3 280.324 1.819 20 5 CDBDHN CC(C)N1CCCC[C@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000339114883 361297661 /nfs/dbraw/zinc/29/76/61/361297661.db2.gz IABUGXYXXSWNJK-JTQLQIEISA-N 0 3 253.306 1.449 20 5 CDBDHN N[C@@H](CC(F)F)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000345693778 361399377 /nfs/dbraw/zinc/39/93/77/361399377.db2.gz OTIIVIYQBJEIDU-VIFPVBQESA-N 0 3 287.266 1.236 20 5 CDBDHN COc1ccc(OCCN2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000340934662 364752539 /nfs/dbraw/zinc/75/25/39/364752539.db2.gz WPRPKBAFPXTJNQ-GHMZBOCLSA-N 0 3 296.323 1.437 20 5 CDBDHN CN(C)CCOCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000345927986 364962314 /nfs/dbraw/zinc/96/23/14/364962314.db2.gz IMHHECQPNSFRHF-UHFFFAOYSA-N 0 3 299.302 1.042 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3cccnc3)C2)n1 ZINC000564208605 365406125 /nfs/dbraw/zinc/40/61/25/365406125.db2.gz MHMHENREKSMFMY-CYBMUJFWSA-N 0 3 287.323 1.676 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CNCCO1 ZINC000414659023 241305361 /nfs/dbraw/zinc/30/53/61/241305361.db2.gz MFUIVGTVCNDVRN-NSHDSACASA-N 0 3 294.311 1.013 20 5 CDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272628266 367783695 /nfs/dbraw/zinc/78/36/95/367783695.db2.gz MVDAFGKHMWGCSU-SMDDNHRTSA-N 0 3 289.335 1.761 20 5 CDBDHN Cc1ccc([C@H](C)NCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000148685967 368539639 /nfs/dbraw/zinc/53/96/39/368539639.db2.gz WIRRMZYUXPNTRI-NSHDSACASA-N 0 3 289.339 1.925 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC(C(F)F)CC2)n1 ZINC000361694573 368986547 /nfs/dbraw/zinc/98/65/47/368986547.db2.gz ZATGHQFUSIJSGX-UHFFFAOYSA-N 0 3 274.271 1.768 20 5 CDBDHN C[C@@H]1[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCCN1C ZINC000420613695 244280315 /nfs/dbraw/zinc/28/03/15/244280315.db2.gz SMELXBACSPNITA-KOLCDFICSA-N 0 3 292.339 1.588 20 5 CDBDHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880540 203345586 /nfs/dbraw/zinc/34/55/86/203345586.db2.gz NCKRDGUDIFNKJJ-BXUZGUMPSA-N 0 3 279.340 1.312 20 5 CDBDHN C[C@H](NC[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880541 203346912 /nfs/dbraw/zinc/34/69/12/203346912.db2.gz NCKRDGUDIFNKJJ-FZMZJTMJSA-N 0 3 279.340 1.312 20 5 CDBDHN COCCN1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295622132 370524712 /nfs/dbraw/zinc/52/47/12/370524712.db2.gz WLUMYRGSZOMYCZ-UHFFFAOYSA-N 0 3 295.343 1.216 20 5 CDBDHN CN1CCNC[C@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414971847 371196930 /nfs/dbraw/zinc/19/69/30/371196930.db2.gz WXDVRRHDOKNZFC-YVARQFDVSA-N 0 3 290.367 1.101 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc(F)cc1[N+](=O)[O-] ZINC000368192053 371880533 /nfs/dbraw/zinc/88/05/33/371880533.db2.gz DSPDBCLGPQTYBI-IUCAKERBSA-N 0 3 285.250 1.164 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356434311 372829551 /nfs/dbraw/zinc/82/95/51/372829551.db2.gz WMWPTXCZXHMLPY-GHMZBOCLSA-N 0 3 294.355 1.346 20 5 CDBDHN Cc1c([C@H](C)NC[C@@H]2CNCCN2C)cccc1[N+](=O)[O-] ZINC000423502772 374385671 /nfs/dbraw/zinc/38/56/71/374385671.db2.gz FIWQFWVJZCOYKC-STQMWFEESA-N 0 3 292.383 1.457 20 5 CDBDHN Cc1ccnc(NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000070495912 374664011 /nfs/dbraw/zinc/66/40/11/374664011.db2.gz VFRBZVRRVXVVFP-JTQLQIEISA-N 0 3 250.302 1.662 20 5 CDBDHN Cc1ccnc(N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000070495726 374664295 /nfs/dbraw/zinc/66/42/95/374664295.db2.gz DUWSNCOAKIUBJX-AOOOYVTPSA-N 0 3 250.302 1.485 20 5 CDBDHN C[C@H](Cn1cc(Br)c([N+](=O)[O-])n1)N(C)C ZINC000331085069 374887618 /nfs/dbraw/zinc/88/76/18/374887618.db2.gz OHYKPQFYASQJOE-ZCFIWIBFSA-N 0 3 277.122 1.504 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000330510011 374860007 /nfs/dbraw/zinc/86/00/07/374860007.db2.gz BGRDKNHHTCGZLW-UHFFFAOYSA-N 0 3 267.285 1.356 20 5 CDBDHN Cc1n[nH]c(C(=O)NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299445557 375171736 /nfs/dbraw/zinc/17/17/36/375171736.db2.gz NAPBSOXSDNJKNI-SECBINFHSA-N 0 3 295.343 1.088 20 5 CDBDHN Cc1cc(NC(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000350786540 375242771 /nfs/dbraw/zinc/24/27/71/375242771.db2.gz MWWDCKJHDHGUJM-JTQLQIEISA-N 0 3 280.328 1.975 20 5 CDBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000299656279 375192119 /nfs/dbraw/zinc/19/21/19/375192119.db2.gz YHJHKWHVMBKGAL-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCN(C)C2)n1 ZINC000162599589 375389559 /nfs/dbraw/zinc/38/95/59/375389559.db2.gz TWACMDMGOGWCLY-JTQLQIEISA-N 0 3 250.302 1.662 20 5 CDBDHN C[C@H](O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162832274 375528786 /nfs/dbraw/zinc/52/87/86/375528786.db2.gz PKNWJLLCEFBBAW-JQWIXIFHSA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@@H](NC[C@@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150280 375559610 /nfs/dbraw/zinc/55/96/10/375559610.db2.gz TWQHZTYIROBAAP-ZWNOBZJWSA-N 0 3 267.329 1.168 20 5 CDBDHN O=[N+]([O-])c1ccc(CCNC[C@H]2CCCS2(=O)=O)cc1 ZINC000134081952 375903626 /nfs/dbraw/zinc/90/36/26/375903626.db2.gz HLKLAMIKXJCZQR-CYBMUJFWSA-N 0 3 298.364 1.304 20 5 CDBDHN CN1CCC[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347433883 376143781 /nfs/dbraw/zinc/14/37/81/376143781.db2.gz RHSTZSYKLFYDQQ-SNVBAGLBSA-N 0 3 287.323 1.466 20 5 CDBDHN CCN1CC[C@@H](N(C)c2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000354354673 376328204 /nfs/dbraw/zinc/32/82/04/376328204.db2.gz VJCWINZSZZDHMN-GHMZBOCLSA-N 0 3 281.360 1.637 20 5 CDBDHN CCN(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171200756 376409296 /nfs/dbraw/zinc/40/92/96/376409296.db2.gz DSKBAPYYFBPJRM-UHFFFAOYSA-N 0 3 280.328 1.346 20 5 CDBDHN C[C@H]1[C@@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000385671943 377844781 /nfs/dbraw/zinc/84/47/81/377844781.db2.gz HPXUCFDNXBFCGN-CMPLNLGQSA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453405855 252313684 /nfs/dbraw/zinc/31/36/84/252313684.db2.gz QPPJBKNLGSAHDS-QMTHXVAHSA-N 0 3 277.324 1.914 20 5 CDBDHN CN(C)C/C=C/C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000491847162 253103291 /nfs/dbraw/zinc/10/32/91/253103291.db2.gz QSENZQKQJAIDJA-ONEGZZNKSA-N 0 3 292.339 1.241 20 5 CDBDHN Cc1c(CN[C@@](C)(C(N)=O)C(C)C)cccc1[N+](=O)[O-] ZINC000289411241 197334404 /nfs/dbraw/zinc/33/44/04/197334404.db2.gz SZEBYGJEUKCORL-CQSZACIVSA-N 0 3 279.340 1.893 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000450935458 390580430 /nfs/dbraw/zinc/58/04/30/390580430.db2.gz GLQIVWCYITZFJT-CQSZACIVSA-N 0 3 280.324 1.485 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451622980 390635190 /nfs/dbraw/zinc/63/51/90/390635190.db2.gz IBCATUUAJDFWEP-SMDDNHRTSA-N 0 3 291.351 1.739 20 5 CDBDHN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)O ZINC000395296328 390840197 /nfs/dbraw/zinc/84/01/97/390840197.db2.gz HTIYGBFQKZCTOO-ONGXEEELSA-N 0 3 268.313 1.852 20 5 CDBDHN CCNC(=O)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344878936 391294695 /nfs/dbraw/zinc/29/46/95/391294695.db2.gz VTYSWULAZYHQQK-YRNVUSSQSA-N 0 3 277.324 1.724 20 5 CDBDHN COCC[C@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485161 391393511 /nfs/dbraw/zinc/39/35/11/391393511.db2.gz HYMYTEJFLLCHMQ-NWDGAFQWSA-N 0 3 294.355 1.901 20 5 CDBDHN COCCO[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000189676106 130007182 /nfs/dbraw/zinc/00/71/82/130007182.db2.gz PKZZFWZXAFCEDA-OAHLLOKOSA-N 0 3 294.351 1.875 20 5 CDBDHN C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190430843 130103382 /nfs/dbraw/zinc/10/33/82/130103382.db2.gz ADVGSFHOMLWNFL-WCQYABFASA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@H]1CSCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000190439925 130104797 /nfs/dbraw/zinc/10/47/97/130104797.db2.gz DKFWVERLCHJCKH-SNVBAGLBSA-N 0 3 270.358 1.476 20 5 CDBDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356163285 391934395 /nfs/dbraw/zinc/93/43/95/391934395.db2.gz XTNGBGNFXMIURI-JTQLQIEISA-N 0 3 297.359 1.034 20 5 CDBDHN C[C@@H](CN1CCOCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036932632 392029753 /nfs/dbraw/zinc/02/97/53/392029753.db2.gz MGZMLKUGHUUQJC-STQMWFEESA-N 0 3 293.367 1.966 20 5 CDBDHN COc1cc(C[NH2+]C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1[O-] ZINC000237243220 131017137 /nfs/dbraw/zinc/01/71/37/131017137.db2.gz PAEAAIWZDQOFAF-JTQLQIEISA-N 0 3 296.323 1.825 20 5 CDBDHN C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237603008 131046258 /nfs/dbraw/zinc/04/62/58/131046258.db2.gz OVCVVFJZZNUYHH-QWRGUYRKSA-N 0 3 293.323 1.182 20 5 CDBDHN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000248336650 131113704 /nfs/dbraw/zinc/11/37/04/131113704.db2.gz HDCCITJMKFEXKL-UWVGGRQHSA-N 0 3 277.324 1.924 20 5 CDBDHN CCNC(=O)C(C)(C)NCCOc1cccc([N+](=O)[O-])c1 ZINC000459560562 392465881 /nfs/dbraw/zinc/46/58/81/392465881.db2.gz KUNOHLBOVLKZKI-UHFFFAOYSA-N 0 3 295.339 1.478 20 5 CDBDHN CCN1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000459459012 392438709 /nfs/dbraw/zinc/43/87/09/392438709.db2.gz HRJVHYQBNIVBJK-TXEJJXNPSA-N 0 3 281.360 1.206 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CNC1(CO)CCOCC1 ZINC000430218386 393093001 /nfs/dbraw/zinc/09/30/01/393093001.db2.gz LLKZEWUYPQMDGY-UHFFFAOYSA-N 0 3 296.323 1.235 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@H]3CCCO3)CC2)c1 ZINC000189119587 140108670 /nfs/dbraw/zinc/10/86/70/140108670.db2.gz BLAIBDOLCLUGFZ-CQSZACIVSA-N 0 3 294.355 1.682 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236927422 140247933 /nfs/dbraw/zinc/24/79/33/140247933.db2.gz CLNLDRTZQCUDJF-MFKMUULPSA-N 0 3 294.355 1.496 20 5 CDBDHN COc1ccc(CN[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000092395044 147011315 /nfs/dbraw/zinc/01/13/15/147011315.db2.gz UECFRJMDVXHLJO-NSHDSACASA-N 0 3 268.313 1.710 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343429981 152171757 /nfs/dbraw/zinc/17/17/57/152171757.db2.gz IAEXELWHMKPKLK-FZMZJTMJSA-N 0 3 291.351 1.736 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2[C@H]2CCCO2)n1 ZINC000375349786 160371521 /nfs/dbraw/zinc/37/15/21/160371521.db2.gz PNLUCERHWHNKMZ-VXGBXAGGSA-N 0 3 280.328 1.435 20 5 CDBDHN C[C@H]1COCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000374338007 160275068 /nfs/dbraw/zinc/27/50/68/160275068.db2.gz BFSVPDWVGDUEKV-GFCCVEGCSA-N 0 3 280.324 1.942 20 5 CDBDHN C[C@H](CC[S@@](C)=O)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285356294 196259775 /nfs/dbraw/zinc/25/97/75/196259775.db2.gz VKXJPHORTFYTDO-ODXZIHIVSA-N 0 3 299.396 1.985 20 5 CDBDHN C[C@@H](CN1CCOCC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036932560 172812881 /nfs/dbraw/zinc/81/28/81/172812881.db2.gz HRBJMJIUIWMAON-STQMWFEESA-N 0 3 293.367 1.966 20 5 CDBDHN NC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000040676284 174373949 /nfs/dbraw/zinc/37/39/49/174373949.db2.gz ITKKKZRBJGDTPN-UHFFFAOYSA-N 0 3 277.324 1.525 20 5 CDBDHN C[S@](=O)C1(CNCc2ccccc2[N+](=O)[O-])CCC1 ZINC000393703998 270338287 /nfs/dbraw/zinc/33/82/87/270338287.db2.gz LZWQRMDRNKQKSX-IBGZPJMESA-N 0 3 282.365 1.986 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000525103792 270607597 /nfs/dbraw/zinc/60/75/97/270607597.db2.gz QXIMAYQOKBCRQL-UWVGGRQHSA-N 0 3 280.328 1.146 20 5 CDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1 ZINC000095698835 274599696 /nfs/dbraw/zinc/59/96/96/274599696.db2.gz QMMWSSSHFGFTOS-ZETCQYMHSA-N 0 3 256.693 1.441 20 5 CDBDHN CN1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000301734098 277158170 /nfs/dbraw/zinc/15/81/70/277158170.db2.gz UKBHLFGGDMJXAS-DGCLKSJQSA-N 0 3 276.340 1.910 20 5 CDBDHN C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193001696 278394623 /nfs/dbraw/zinc/39/46/23/278394623.db2.gz QDHZWTQVJXBEBP-SNVBAGLBSA-N 0 3 250.298 1.940 20 5 CDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286492582 279116663 /nfs/dbraw/zinc/11/66/63/279116663.db2.gz RLSDFNLWVCXKQF-NXEZZACHSA-N 0 3 292.343 1.030 20 5 CDBDHN Cc1c(C(=O)N2CCN[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000262777574 280208294 /nfs/dbraw/zinc/20/82/94/280208294.db2.gz LYUZFYWCAPRXMH-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N(C)C ZINC000524418712 281110525 /nfs/dbraw/zinc/11/05/25/281110525.db2.gz ZRZHZDPBBZAKRB-NSHDSACASA-N 0 3 296.371 1.639 20 5 CDBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000154219262 289198226 /nfs/dbraw/zinc/19/82/26/289198226.db2.gz BVMHJJQPGWWUJP-UHFFFAOYSA-N 0 3 297.380 1.998 20 5 CDBDHN Cc1nn(C)cc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000157711836 289293619 /nfs/dbraw/zinc/29/36/19/289293619.db2.gz BKVBGBZWIWKYNO-UHFFFAOYSA-N 0 3 290.323 1.805 20 5 CDBDHN [NH3+]C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089091653 303424932 /nfs/dbraw/zinc/42/49/32/303424932.db2.gz YDSPLTFXCYAVJH-ZJUUUORDSA-N 0 3 299.352 1.001 20 5 CDBDHN C[C@@H](O)[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581939061 324864009 /nfs/dbraw/zinc/86/40/09/324864009.db2.gz IPQYTOALUZQBGX-JGVFFNPUSA-N 0 3 264.285 1.330 20 5 CDBDHN CC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000583907381 325263661 /nfs/dbraw/zinc/26/36/61/325263661.db2.gz JZVKHEVMFOLBLW-UHFFFAOYSA-N 0 3 298.364 1.758 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000068342096 522095628 /nfs/dbraw/zinc/09/56/28/522095628.db2.gz VIBSSZWDFGRZRU-VIFPVBQESA-N 0 3 267.285 1.354 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000068192462 523937499 /nfs/dbraw/zinc/93/74/99/523937499.db2.gz DNDSVUJGPSXVHH-UHFFFAOYSA-N 0 3 277.324 1.761 20 5 CDBDHN CN1CC[C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)C1 ZINC000812811978 617337023 /nfs/dbraw/zinc/33/70/23/617337023.db2.gz RGTORJALCJCDDG-VIFPVBQESA-N 0 3 268.317 1.477 20 5 CDBDHN CCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1OC ZINC000891461277 617422731 /nfs/dbraw/zinc/42/27/31/617422731.db2.gz VBKPWGSWQKHMHM-JTQLQIEISA-N 0 3 280.328 1.895 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000892565783 617509567 /nfs/dbraw/zinc/50/95/67/617509567.db2.gz JNGUTGSRRPTWEP-VIFPVBQESA-N 0 3 282.296 1.435 20 5 CDBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])c(Cl)n1 ZINC000893043801 618091128 /nfs/dbraw/zinc/09/11/28/618091128.db2.gz CXBNLZWOMKNSCW-MRVPVSSYSA-N 0 3 272.688 1.794 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NCCN1CCCC(C)(C)C1 ZINC000893528816 618038825 /nfs/dbraw/zinc/03/88/25/618038825.db2.gz OKBJQZOXBRWQPQ-UHFFFAOYSA-N 0 3 281.360 1.862 20 5 CDBDHN COCCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892427972 618186552 /nfs/dbraw/zinc/18/65/52/618186552.db2.gz XCQXUSUPRZGBMI-UHFFFAOYSA-N 0 3 270.285 1.435 20 5 CDBDHN Cc1cc(F)ccc1N1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905123721 626634513 /nfs/dbraw/zinc/63/45/13/626634513.db2.gz LSBMSLGSERRBJR-ZDUSSCGKSA-N 0 3 281.331 1.969 20 5 CDBDHN O=[N+]([O-])CCNC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000905231006 626686050 /nfs/dbraw/zinc/68/60/50/626686050.db2.gz IIVZPKBKDZVRJG-GJZGRUSLSA-N 0 3 296.342 1.766 20 5 CDBDHN CC(C)(C)OC(=O)N1CCC2(C[C@H]2NCC[N+](=O)[O-])CC1 ZINC000905264243 626713155 /nfs/dbraw/zinc/71/31/55/626713155.db2.gz TYXVASOXHHTICI-LLVKDONJSA-N 0 3 299.371 1.642 20 5 CDBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000910295340 629004311 /nfs/dbraw/zinc/00/43/11/629004311.db2.gz ZXJOSMWJSGZSNN-NSHDSACASA-N 0 3 294.355 1.490 20 5 CDBDHN CN1CC(CNc2ccc3ncc([N+](=O)[O-])n3c2)C1 ZINC001170253671 1162326676 /nfs/dbraw/zinc/32/66/76/1162326676.db2.gz AJUDJZTUXYDSMI-UHFFFAOYSA-N 0 3 261.285 1.216 20 5 CDBDHN CC[C@@](N)(CO)N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315382 1162334647 /nfs/dbraw/zinc/33/46/47/1162334647.db2.gz XJDKDCGADAVDLH-YGRLFVJLSA-N 0 3 297.355 1.181 20 5 CDBDHN C[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H](C)CN1C ZINC001164640917 719215741 /nfs/dbraw/zinc/21/57/41/719215741.db2.gz UDCMXAGPVXAMLG-ZJUUUORDSA-N 0 3 289.339 2.000 20 5 CDBDHN CN(CCO)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000884825203 791186677 /nfs/dbraw/zinc/18/66/77/791186677.db2.gz KYUVKRVHXDRHNG-UHFFFAOYSA-N 0 3 289.282 1.868 20 5 CDBDHN CC1(C)CNC(=O)[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000931661333 791223570 /nfs/dbraw/zinc/22/35/70/791223570.db2.gz DGWBKHVWRKZRJR-LBPRGKRZSA-N 0 3 293.323 1.088 20 5 CDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C(F)F ZINC001019912497 791728904 /nfs/dbraw/zinc/72/89/04/791728904.db2.gz CRANGAWBCVADHM-MGCOHNPYSA-N 0 3 299.277 1.597 20 5 CDBDHN Cn1c(C(=O)OC[C@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736526 791878155 /nfs/dbraw/zinc/87/81/55/791878155.db2.gz AWXMXDOQTOXZTK-SNVBAGLBSA-N 0 3 295.339 1.963 20 5 CDBDHN COC(=O)[C@H]1[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794974183 792043940 /nfs/dbraw/zinc/04/39/40/792043940.db2.gz QGVVFSNENAYYMJ-WDNDVIMCSA-N 0 3 290.319 1.488 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CNCCO1 ZINC000134267361 792392344 /nfs/dbraw/zinc/39/23/44/792392344.db2.gz GNNYBPYDNCFJHC-SECBINFHSA-N 0 3 255.249 1.134 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000129624504 793475604 /nfs/dbraw/zinc/47/56/04/793475604.db2.gz RCLKPYBCWCEDQM-UHFFFAOYSA-N 0 3 285.731 1.882 20 5 CDBDHN C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN(C2CC2)C1 ZINC000832949746 793855078 /nfs/dbraw/zinc/85/50/78/793855078.db2.gz OBUJXHWPIXWZLP-LBPRGKRZSA-N 0 3 297.399 1.765 20 5 CDBDHN O=[N+]([O-])c1cn(CCN2CCCC2)nc1C1CC1 ZINC000789967992 794247914 /nfs/dbraw/zinc/24/79/14/794247914.db2.gz MXPPYDJXOTXNTQ-UHFFFAOYSA-N 0 3 250.302 1.765 20 5 CDBDHN CC(COC(=O)c1ccc(Cn2cncn2)cc1)[N+](=O)[O-] ZINC000813105795 794516891 /nfs/dbraw/zinc/51/68/91/794516891.db2.gz URTFNPUKFSOCRX-JTQLQIEISA-N 0 3 290.279 1.148 20 5 CDBDHN CON(C)C(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000808743992 794684106 /nfs/dbraw/zinc/68/41/06/794684106.db2.gz SYTKYKLZNPZKRZ-SNVBAGLBSA-N 0 3 281.312 1.655 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H](C2OCCO2)C1 ZINC000719068239 795648235 /nfs/dbraw/zinc/64/82/35/795648235.db2.gz SPECZJCPRQXMGP-LBPRGKRZSA-N 0 3 278.308 1.790 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252890881 796008886 /nfs/dbraw/zinc/00/88/86/796008886.db2.gz IRLPPLVZJJZTDZ-WDEREUQCSA-N 0 3 278.312 1.265 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(F)CC2)c1 ZINC000880245189 796051909 /nfs/dbraw/zinc/05/19/09/796051909.db2.gz NCQPYFIIYZNORL-CYBMUJFWSA-N 0 3 298.314 1.768 20 5 CDBDHN CC(C)NC(=O)CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866218560 796206022 /nfs/dbraw/zinc/20/60/22/796206022.db2.gz RRADHEGDRMQDLL-JTQLQIEISA-N 0 3 297.330 1.779 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000795550605 796236516 /nfs/dbraw/zinc/23/65/16/796236516.db2.gz HNTYOTLKPBDLGO-DOMZBBRYSA-N 0 3 292.335 1.597 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(CO)C1 ZINC001173228342 912321696 /nfs/dbraw/zinc/32/16/96/912321696.db2.gz VASYLKUHMPGAGR-SNVBAGLBSA-N 0 3 250.298 1.450 20 5 CDBDHN O=[N+]([O-])c1ccc(CN(CCO)CC2CC2)cc1F ZINC000688442780 934602147 /nfs/dbraw/zinc/60/21/47/934602147.db2.gz ZORFTWGWRCESNY-UHFFFAOYSA-N 0 3 268.288 1.938 20 5 CDBDHN CC(C)Oc1nc(N2CCNC3(CC3)C2)ccc1[N+](=O)[O-] ZINC001158937942 938680919 /nfs/dbraw/zinc/68/09/19/938680919.db2.gz GMVUHKOLGNSFKE-UHFFFAOYSA-N 0 3 292.339 1.719 20 5 CDBDHN C[C@@H](Nc1nccc(Cl)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159489731 938732095 /nfs/dbraw/zinc/73/20/95/938732095.db2.gz RBDKFCQRVUIMCN-APPZFPTMSA-N 0 3 286.719 1.432 20 5 CDBDHN NCc1cc(-c2ccncc2)nn1-c1cccc([N+](=O)[O-])n1 ZINC001160338291 938781808 /nfs/dbraw/zinc/78/18/08/938781808.db2.gz UZLHHQVWCLIQHQ-UHFFFAOYSA-N 0 3 296.290 1.696 20 5 CDBDHN O=[N+]([O-])c1cnc(-n2cnc3c2CNCC3)c2ccccc21 ZINC001164313266 939452163 /nfs/dbraw/zinc/45/21/63/939452163.db2.gz CVNZORUAEMVOHV-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN O=[N+]([O-])c1ccc2ccc(-n3ncc4c3CCNC4)nc2c1 ZINC001165219706 939526352 /nfs/dbraw/zinc/52/63/52/939526352.db2.gz VDSKVIRBYYPQKS-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN CC(C)N1CC[C@@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225593455 941886066 /nfs/dbraw/zinc/88/60/66/941886066.db2.gz QVUIMXIGWWPGEN-SNVBAGLBSA-N 0 3 251.286 1.851 20 5 CDBDHN CCN1CC[C@@H](Oc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001227062190 942124285 /nfs/dbraw/zinc/12/42/85/942124285.db2.gz ILBXNZLHYXACON-SNVBAGLBSA-N 0 3 251.286 1.771 20 5 CDBDHN C[N@@H+]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227744233 942216771 /nfs/dbraw/zinc/21/67/71/942216771.db2.gz FPMHAGKSZKILFZ-SNVBAGLBSA-N 0 3 276.296 1.944 20 5 CDBDHN C[N@H+]1CCC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227744233 942216777 /nfs/dbraw/zinc/21/67/77/942216777.db2.gz FPMHAGKSZKILFZ-SNVBAGLBSA-N 0 3 276.296 1.944 20 5 CDBDHN C[N@@H+]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227744233 942216779 /nfs/dbraw/zinc/21/67/79/942216779.db2.gz FPMHAGKSZKILFZ-SNVBAGLBSA-N 0 3 276.296 1.944 20 5 CDBDHN C[N@H+]1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227744233 942216781 /nfs/dbraw/zinc/21/67/81/942216781.db2.gz FPMHAGKSZKILFZ-SNVBAGLBSA-N 0 3 276.296 1.944 20 5 CDBDHN C[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254602059 947551963 /nfs/dbraw/zinc/55/19/63/947551963.db2.gz ACXCERDNBLHWOS-IAQYHMDHSA-N 0 3 275.352 1.698 20 5 CDBDHN CC(COC(=O)[C@]1(c2ccccc2)CCCO1)[N+](=O)[O-] ZINC001346123209 964944192 /nfs/dbraw/zinc/94/41/92/964944192.db2.gz JYGBTFQQTINRCJ-SMDDNHRTSA-N 0 3 279.292 1.901 20 5 CDBDHN CC(C)c1nnsc1C(=O)OCC(C)[N+](=O)[O-] ZINC001346124755 964946041 /nfs/dbraw/zinc/94/60/41/964946041.db2.gz ZJUVERBRJYOLFL-LURJTMIESA-N 0 3 259.287 1.484 20 5 CDBDHN COCCNCC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001355317287 969121202 /nfs/dbraw/zinc/12/12/02/969121202.db2.gz WXZJLRUELCXPNK-LLVKDONJSA-N 0 3 295.339 1.051 20 5 CDBDHN COCCN(C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601031009 342460110 /nfs/dbraw/zinc/46/01/10/342460110.db2.gz CONZLCTUPKPIKN-UHFFFAOYSA-N 0 3 299.302 1.042 20 5 CDBDHN CN1CCN(CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000601100756 342464106 /nfs/dbraw/zinc/46/41/06/342464106.db2.gz GOMWELGQUFZLQI-UHFFFAOYSA-N 0 3 284.385 1.706 20 5 CDBDHN CCN(C)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000124426215 187137473 /nfs/dbraw/zinc/13/74/73/187137473.db2.gz DCGYGGWCPIWSPF-UHFFFAOYSA-N 0 3 294.355 1.388 20 5 CDBDHN CN(CCN1CCCC1)c1cccnc1[N+](=O)[O-] ZINC000609132833 342091427 /nfs/dbraw/zinc/09/14/27/342091427.db2.gz PLKOKYJLVQWGAX-UHFFFAOYSA-N 0 3 250.302 1.522 20 5 CDBDHN O=C1NCCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000590971940 342612431 /nfs/dbraw/zinc/61/24/31/342612431.db2.gz YAEQOECDJPZVBQ-NSHDSACASA-N 0 3 263.297 1.211 20 5 CDBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCN(C)C1 ZINC000592832157 342741674 /nfs/dbraw/zinc/74/16/74/342741674.db2.gz RWIWBWYUCOECPJ-JTQLQIEISA-N 0 3 280.328 1.479 20 5 CDBDHN CN(CCN1CCCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000593518052 342805913 /nfs/dbraw/zinc/80/59/13/342805913.db2.gz XEWQEVUQQRRRIJ-UHFFFAOYSA-N 0 3 265.317 1.307 20 5 CDBDHN C[C@]1(CNCc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453585520 252328141 /nfs/dbraw/zinc/32/81/41/252328141.db2.gz GQQGLIMOAGQSLN-CYBMUJFWSA-N 0 3 263.297 1.353 20 5 CDBDHN C[C@@H]1CSC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352798877 539114032 /nfs/dbraw/zinc/11/40/32/539114032.db2.gz DTJBZJREJKCYPG-LDYMZIIASA-N 0 3 295.364 1.535 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000108344081 349736216 /nfs/dbraw/zinc/73/62/16/349736216.db2.gz ZVRWGTSFYSUXSI-NSHDSACASA-N 0 3 277.324 1.666 20 5 CDBDHN Cc1cnc(NCCCN2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000078632648 342338947 /nfs/dbraw/zinc/33/89/47/342338947.db2.gz JPBJAZYCYHCVBU-UHFFFAOYSA-N 0 3 294.355 1.557 20 5 CDBDHN CC[NH+](CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596052204 343221372 /nfs/dbraw/zinc/22/13/72/343221372.db2.gz ULOUOMPBTSDGTF-UHFFFAOYSA-N 0 3 254.290 1.449 20 5 CDBDHN NC(=O)c1cc(NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000596075228 343226472 /nfs/dbraw/zinc/22/64/72/343226472.db2.gz FTRPGKKSSKCZSQ-UHFFFAOYSA-N 0 3 292.339 1.592 20 5 CDBDHN CN(C[C@H]1CCC[N@H+](C)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127797 343237718 /nfs/dbraw/zinc/23/77/18/343237718.db2.gz AXRDVZLGVKYIBT-JTQLQIEISA-N 0 3 280.328 1.473 20 5 CDBDHN CN(C[C@H]1CCC[N@@H+](C)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127797 343237719 /nfs/dbraw/zinc/23/77/19/343237719.db2.gz AXRDVZLGVKYIBT-JTQLQIEISA-N 0 3 280.328 1.473 20 5 CDBDHN C[C@H]1C[C@@H](Nc2ccc(N)c([N+](=O)[O-])n2)CN1C1CC1 ZINC000596155348 343247243 /nfs/dbraw/zinc/24/72/43/343247243.db2.gz IHFPSBBAEXXSQH-DTWKUNHWSA-N 0 3 277.328 1.031 20 5 CDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000596267942 343280764 /nfs/dbraw/zinc/28/07/64/343280764.db2.gz AIVBBLLJVQCAJY-LLVKDONJSA-N 0 3 264.329 1.910 20 5 CDBDHN CNC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000140787404 342445635 /nfs/dbraw/zinc/44/56/35/342445635.db2.gz PMTGVDBNZQJHNI-UHFFFAOYSA-N 0 3 279.340 1.941 20 5 CDBDHN C[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC000136159080 362305933 /nfs/dbraw/zinc/30/59/33/362305933.db2.gz OZDYVVUPYNCXAJ-AWEZNQCLSA-N 0 3 277.324 1.743 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1C(C)(C)O ZINC000602796016 344586300 /nfs/dbraw/zinc/58/63/00/344586300.db2.gz JFAZRNFABIJFIQ-LLVKDONJSA-N 0 3 282.344 1.335 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CCCOC1 ZINC000602833862 344615362 /nfs/dbraw/zinc/61/53/62/344615362.db2.gz WRBIALVIYAZQJV-LLVKDONJSA-N 0 3 268.317 1.211 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C)[C@H]1CCO ZINC000602882075 344633495 /nfs/dbraw/zinc/63/34/95/344633495.db2.gz IHDIHTUTYIMJNR-DGCLKSJQSA-N 0 3 296.371 1.583 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC(C)(C)CC[C@@H]1CO ZINC000602912345 344646352 /nfs/dbraw/zinc/64/63/52/344646352.db2.gz JIDPKEOPRRAEAH-GFCCVEGCSA-N 0 3 296.371 1.583 20 5 CDBDHN CN(CCc1ccccc1O)CCn1cc([N+](=O)[O-])cn1 ZINC000344165925 362547615 /nfs/dbraw/zinc/54/76/15/362547615.db2.gz LWYVWBPRTCGYNF-UHFFFAOYSA-N 0 3 290.323 1.671 20 5 CDBDHN C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000610897371 346482224 /nfs/dbraw/zinc/48/22/24/346482224.db2.gz UHJAQFSKUDDLNI-SLEUVZQESA-N 0 3 293.367 1.965 20 5 CDBDHN COc1ccc(CN[C@@H]2CCN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000152964487 347641332 /nfs/dbraw/zinc/64/13/32/347641332.db2.gz GWFQNOBGYQMJOF-GFCCVEGCSA-N 0 3 293.323 1.314 20 5 CDBDHN CC[C@H](N[C@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000090918611 180062742 /nfs/dbraw/zinc/06/27/42/180062742.db2.gz NVUFRHTUPJAZLD-SKDRFNHKSA-N 0 3 265.313 1.899 20 5 CDBDHN COCCN1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000108349571 186212617 /nfs/dbraw/zinc/21/26/17/186212617.db2.gz TUMDUPSSXYTQQA-UHFFFAOYSA-N 0 3 294.355 1.821 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353470001 363032813 /nfs/dbraw/zinc/03/28/13/363032813.db2.gz HZNYCYXXEZXDTP-NOZJJQNGSA-N 0 3 295.339 1.593 20 5 CDBDHN C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCCC1 ZINC000065533459 363311301 /nfs/dbraw/zinc/31/13/01/363311301.db2.gz XCWPZCYKBGZILV-SNVBAGLBSA-N 0 3 292.339 1.391 20 5 CDBDHN Cc1c(NC(=O)[C@H](N)C(C)C)cccc1[N+](=O)[O-] ZINC000037029854 363315738 /nfs/dbraw/zinc/31/57/38/363315738.db2.gz QCUFPJNUEOGUSV-LLVKDONJSA-N 0 3 251.286 1.825 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)C ZINC000181330210 357336044 /nfs/dbraw/zinc/33/60/44/357336044.db2.gz YIUMQWKTHLGVDK-UHFFFAOYSA-N 0 3 282.300 1.287 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)C(C)C ZINC000092400561 357734101 /nfs/dbraw/zinc/73/41/01/357734101.db2.gz SNGVRXUVWKWIAE-LBPRGKRZSA-N 0 3 268.313 1.710 20 5 CDBDHN CN(C)C1(CN(C)C(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000188059179 357840503 /nfs/dbraw/zinc/84/05/03/357840503.db2.gz AYJTWRXFOYVOJQ-UHFFFAOYSA-N 0 3 281.312 1.744 20 5 CDBDHN COc1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1[O-] ZINC000188853738 357945147 /nfs/dbraw/zinc/94/51/47/357945147.db2.gz SOJRQIMTXZTXGJ-KOLCDFICSA-N 0 3 296.323 1.560 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](N2CCCCC2)C1 ZINC000408099817 358008291 /nfs/dbraw/zinc/00/82/91/358008291.db2.gz NMOVOYXIPORYAO-NSHDSACASA-N 0 3 292.339 1.623 20 5 CDBDHN C[C@@H](NCCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000130860743 358315862 /nfs/dbraw/zinc/31/58/62/358315862.db2.gz HUCZTCDHHBTKJL-SNVBAGLBSA-N 0 3 277.324 1.772 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2CCO)n1 ZINC000176237997 358745706 /nfs/dbraw/zinc/74/57/06/358745706.db2.gz BHSQMUVAUHMSCE-NSHDSACASA-N 0 3 268.317 1.028 20 5 CDBDHN C[C@H](NC(=O)N(C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297503774 200212539 /nfs/dbraw/zinc/21/25/39/200212539.db2.gz GKOFDWCVXNHGPJ-NSHDSACASA-N 0 3 294.355 1.859 20 5 CDBDHN Cc1cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000408468873 359815736 /nfs/dbraw/zinc/81/57/36/359815736.db2.gz RFEFOVUHYCGLLI-RISCZKNCSA-N 0 3 289.335 1.679 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CNCCO2)c(F)c1 ZINC000134270416 359880658 /nfs/dbraw/zinc/88/06/58/359880658.db2.gz WDXJZHBULTWXAW-VIFPVBQESA-N 0 3 255.249 1.134 20 5 CDBDHN CNCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162836815 360534296 /nfs/dbraw/zinc/53/42/96/360534296.db2.gz NLSUZRFFFIPVRT-SECBINFHSA-N 0 3 251.286 1.300 20 5 CDBDHN CNC(=O)CCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000179409005 189192624 /nfs/dbraw/zinc/19/26/24/189192624.db2.gz FUALRHPBJBXBKU-UHFFFAOYSA-N 0 3 265.313 1.471 20 5 CDBDHN CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N(C)C ZINC000345569253 361197157 /nfs/dbraw/zinc/19/71/57/361197157.db2.gz NIEJBLDYXPNBJZ-NSHDSACASA-N 0 3 296.371 1.639 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000345826263 364026478 /nfs/dbraw/zinc/02/64/78/364026478.db2.gz PYEFMVLNVNQUHN-RYUDHWBXSA-N 0 3 277.324 1.599 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200661 364444426 /nfs/dbraw/zinc/44/44/26/364444426.db2.gz OOAICUYVPGGOOW-ZWNOBZJWSA-N 0 3 289.335 1.807 20 5 CDBDHN Cc1ccc(CNCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000034994942 364501956 /nfs/dbraw/zinc/50/19/56/364501956.db2.gz GQTGPNLMHKWMFO-UHFFFAOYSA-N 0 3 279.340 1.325 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000110490124 365051270 /nfs/dbraw/zinc/05/12/70/365051270.db2.gz LBJPOVMQVYBFOY-MNOVXSKESA-N 0 3 278.312 1.265 20 5 CDBDHN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270871996 366941420 /nfs/dbraw/zinc/94/14/20/366941420.db2.gz JIBJUMBNILWFCC-WCQYABFASA-N 0 3 250.298 1.798 20 5 CDBDHN CCN1CCC[C@H]1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420578043 244264619 /nfs/dbraw/zinc/26/46/19/244264619.db2.gz CEFVDJKJKBIQMA-JTQLQIEISA-N 0 3 292.339 1.590 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000170802731 369272993 /nfs/dbraw/zinc/27/29/93/369272993.db2.gz CQCKPWLWJYRMOU-NSHDSACASA-N 0 3 292.339 1.464 20 5 CDBDHN Cc1cnc(N[C@H](CO)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000295732023 370597557 /nfs/dbraw/zinc/59/75/57/370597557.db2.gz WEPAKCZECOVTNM-LBPRGKRZSA-N 0 3 294.355 1.557 20 5 CDBDHN CCCN[C@H](C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295703353 370577951 /nfs/dbraw/zinc/57/79/51/370577951.db2.gz MMFHXQPMTVNLCA-MRVPVSSYSA-N 0 3 291.311 1.798 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1F ZINC000368177899 371800037 /nfs/dbraw/zinc/80/00/37/371800037.db2.gz ILOPRNSODQBXHX-YUMQZZPRSA-N 0 3 285.250 1.164 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274014521 374068555 /nfs/dbraw/zinc/06/85/55/374068555.db2.gz VJBTVFZJERLWKW-GZMMTYOYSA-N 0 3 263.301 1.279 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000368636680 374322128 /nfs/dbraw/zinc/32/21/28/374322128.db2.gz VVQGYNMGBOADOE-WDNDVIMCSA-N 0 3 278.308 1.144 20 5 CDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[C@H](F)CN1 ZINC000368647968 374322215 /nfs/dbraw/zinc/32/22/15/374322215.db2.gz PONZUMKXBOLFMO-RYUDHWBXSA-N 0 3 295.314 1.344 20 5 CDBDHN Cc1c([C@@H](C)NC[C@H]2CNCCN2C)cccc1[N+](=O)[O-] ZINC000423502769 374384807 /nfs/dbraw/zinc/38/48/07/374384807.db2.gz FIWQFWVJZCOYKC-CHWSQXEVSA-N 0 3 292.383 1.457 20 5 CDBDHN CCOC[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000081519357 374513834 /nfs/dbraw/zinc/51/38/34/374513834.db2.gz RUDKTTYJJYOZCX-NSHDSACASA-N 0 3 268.317 1.150 20 5 CDBDHN NC(=O)C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000377603661 374612702 /nfs/dbraw/zinc/61/27/02/374612702.db2.gz HMMILZIZGPDLIO-NSHDSACASA-N 0 3 293.323 1.171 20 5 CDBDHN C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C)C ZINC000299258923 374652683 /nfs/dbraw/zinc/65/26/83/374652683.db2.gz GGWLPQYGBDNZPL-SECBINFHSA-N 0 3 290.323 1.756 20 5 CDBDHN COc1cc(CNCCC(C)(C)O)c([N+](=O)[O-])cc1OC ZINC000274779874 374684099 /nfs/dbraw/zinc/68/40/99/374684099.db2.gz VGBPYVAKQMVQGI-UHFFFAOYSA-N 0 3 298.339 1.863 20 5 CDBDHN C[C@]1(O)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280143489 374983979 /nfs/dbraw/zinc/98/39/79/374983979.db2.gz REFVGCFWBYSEOR-GJZGRUSLSA-N 0 3 294.351 1.865 20 5 CDBDHN COCC[C@@H](CO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000282381704 375082305 /nfs/dbraw/zinc/08/23/05/375082305.db2.gz XKRNDTCRDJBEAN-BPJJOFIESA-N 0 3 280.324 1.595 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170977806 375146144 /nfs/dbraw/zinc/14/61/44/375146144.db2.gz FFENUJDIARGOHP-VIFPVBQESA-N 0 3 283.353 1.728 20 5 CDBDHN CC(COC(=O)CCNC(=O)/C=C/c1ccco1)[N+](=O)[O-] ZINC000493294465 375437428 /nfs/dbraw/zinc/43/74/28/375437428.db2.gz NCMXHYIEYFTDLM-YEZKRMTDSA-N 0 3 296.279 1.008 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000353484850 375616315 /nfs/dbraw/zinc/61/63/15/375616315.db2.gz RMCCDWHGBRHOFX-UHFFFAOYSA-N 0 3 266.297 1.429 20 5 CDBDHN C[C@@H](O)CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728718 375745819 /nfs/dbraw/zinc/74/58/19/375745819.db2.gz IHLWJUSZDZHNPE-VXGBXAGGSA-N 0 3 294.355 1.637 20 5 CDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C1CC1 ZINC000357433089 375908688 /nfs/dbraw/zinc/90/86/88/375908688.db2.gz CPWRDUMRRPUSOH-QWHCGFSZSA-N 0 3 294.355 1.273 20 5 CDBDHN CN1CC[C@](O)(CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000358303164 375959505 /nfs/dbraw/zinc/95/95/05/375959505.db2.gz KBTCMNTWQMQVDS-NSHDSACASA-N 0 3 286.719 1.122 20 5 CDBDHN Cc1cc(C(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000016503200 377815360 /nfs/dbraw/zinc/81/53/60/377815360.db2.gz BAPDTYNUVZYMAH-UHFFFAOYSA-N 0 3 277.324 1.729 20 5 CDBDHN CCOC1CC(O)(CNCc2csc([N+](=O)[O-])c2)C1 ZINC000444008311 250072851 /nfs/dbraw/zinc/07/28/51/250072851.db2.gz KEENBFIUEXXLCX-UHFFFAOYSA-N 0 3 286.353 1.676 20 5 CDBDHN CCN1CCC(N(C)c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450242570 251189861 /nfs/dbraw/zinc/18/98/61/251189861.db2.gz LRNGUHPJBQTJMO-UHFFFAOYSA-N 0 3 279.344 1.614 20 5 CDBDHN C[C@@H](O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570521 251344009 /nfs/dbraw/zinc/34/40/09/251344009.db2.gz PFQWZQOHYJRNQK-MNOVXSKESA-N 0 3 280.328 1.247 20 5 CDBDHN CN(CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000491492266 253084826 /nfs/dbraw/zinc/08/48/26/253084826.db2.gz LMIYRPSPYFDRJZ-YVMONPNESA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000288579252 197118586 /nfs/dbraw/zinc/11/85/86/197118586.db2.gz XHSVRKREFDMEPK-NXEZZACHSA-N 0 3 293.327 1.017 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106885171 390559239 /nfs/dbraw/zinc/55/92/39/390559239.db2.gz KWEIWVUMJUWFLN-ZDUSSCGKSA-N 0 3 250.298 1.858 20 5 CDBDHN CO[C@]1(C)C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451484688 390626601 /nfs/dbraw/zinc/62/66/01/390626601.db2.gz HJATYIHVGNTVMQ-ZWNOBZJWSA-N 0 3 282.344 1.622 20 5 CDBDHN C[C@H]1CCN(C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000344446291 390990759 /nfs/dbraw/zinc/99/07/59/390990759.db2.gz ZQHZDLLQWJTMCY-JTQLQIEISA-N 0 3 250.302 1.520 20 5 CDBDHN COC(=O)[C@@]1(C)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000412065328 391103649 /nfs/dbraw/zinc/10/36/49/391103649.db2.gz KQIOORJPTGXXNM-ZDUSSCGKSA-N 0 3 296.327 1.066 20 5 CDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000184796241 391750932 /nfs/dbraw/zinc/75/09/32/391750932.db2.gz NMOAFCIQMBZVPA-VXGBXAGGSA-N 0 3 277.324 1.729 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190891845 130157399 /nfs/dbraw/zinc/15/73/99/130157399.db2.gz AKMZNZLODATKNV-NEPJUHHUSA-N 0 3 280.324 1.534 20 5 CDBDHN C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000574179266 391769704 /nfs/dbraw/zinc/76/97/04/391769704.db2.gz DPFPMDFALWJGQQ-GHMZBOCLSA-N 0 3 292.339 1.487 20 5 CDBDHN CC(COC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496469883 391921675 /nfs/dbraw/zinc/92/16/75/391921675.db2.gz NDGCJKVRWDRGDW-IUCAKERBSA-N 0 3 290.316 1.356 20 5 CDBDHN CC(COC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496713338 391927034 /nfs/dbraw/zinc/92/70/34/391927034.db2.gz DFHRMOCYRUBZDM-HLTSFMKQSA-N 0 3 288.300 1.108 20 5 CDBDHN CN(C)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000416294423 391983116 /nfs/dbraw/zinc/98/31/16/391983116.db2.gz YARPNKFVRUIPIS-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN Cc1sc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000237473540 131033861 /nfs/dbraw/zinc/03/38/61/131033861.db2.gz CITPOSUKBVYRIR-HTQZYQBOSA-N 0 3 283.353 1.787 20 5 CDBDHN COC(=O)[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000251857594 131131396 /nfs/dbraw/zinc/13/13/96/131131396.db2.gz SDHUTOIPUUVMMX-BXUZGUMPSA-N 0 3 292.335 1.878 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262758364 131258973 /nfs/dbraw/zinc/25/89/73/131258973.db2.gz HZQOJNTXCLACHV-WDEREUQCSA-N 0 3 293.323 1.182 20 5 CDBDHN CC(C)N(CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000421001946 392926216 /nfs/dbraw/zinc/92/62/16/392926216.db2.gz QGIOAIVPSQFZAJ-CQSZACIVSA-N 0 3 282.340 1.201 20 5 CDBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268450009 132010846 /nfs/dbraw/zinc/01/08/46/132010846.db2.gz FOVSRRYIZOWUFB-LLVKDONJSA-N 0 3 280.328 1.431 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCCN1 ZINC000429970529 393089349 /nfs/dbraw/zinc/08/93/49/393089349.db2.gz JUTKXYWZRMGIFR-GFCCVEGCSA-N 0 3 293.323 1.362 20 5 CDBDHN CN(C)[C@@]1(CNc2ncc([N+](=O)[O-])s2)CCSC1 ZINC000282006581 393167223 /nfs/dbraw/zinc/16/72/23/393167223.db2.gz UROZLNJQBPJCPN-SNVBAGLBSA-N 0 3 288.398 1.901 20 5 CDBDHN CCCNC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449057771 393129623 /nfs/dbraw/zinc/12/96/23/393129623.db2.gz DWKCMWQRMROWIT-LLVKDONJSA-N 0 3 279.340 1.642 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCC1CC1 ZINC000449227830 393131135 /nfs/dbraw/zinc/13/11/35/393131135.db2.gz QWIVUKRGEKZGNK-LLVKDONJSA-N 0 3 291.351 1.642 20 5 CDBDHN COC[C@H](CO)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449298274 393133424 /nfs/dbraw/zinc/13/34/24/393133424.db2.gz JCNZNLCWALDGFL-PWSUYJOCSA-N 0 3 268.313 1.123 20 5 CDBDHN COC[C@H](CCO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000219129721 140166939 /nfs/dbraw/zinc/16/69/39/140166939.db2.gz ZIOAMVKJDIBCFT-LBPRGKRZSA-N 0 3 268.313 1.390 20 5 CDBDHN C[C@H](CN1CCCCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000185435336 140040871 /nfs/dbraw/zinc/04/08/71/140040871.db2.gz UYVQLWWONVIFAN-SNVBAGLBSA-N 0 3 295.343 1.312 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252545788 140319374 /nfs/dbraw/zinc/31/93/74/140319374.db2.gz JTAAALWNTXBIPQ-WCQYABFASA-N 0 3 292.339 1.573 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000252883740 140330042 /nfs/dbraw/zinc/33/00/42/140330042.db2.gz VMJBHCXTINQJST-UBHSHLNASA-N 0 3 262.309 1.798 20 5 CDBDHN O=C1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCCN12 ZINC000313798910 149247083 /nfs/dbraw/zinc/24/70/83/149247083.db2.gz LJCNQRHMELAMOS-UONOGXRCSA-N 0 3 289.335 1.838 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1O ZINC000352659473 155330160 /nfs/dbraw/zinc/33/01/60/155330160.db2.gz JTPPKHMUGCLQKJ-OLZOCXBDSA-N 0 3 250.298 1.940 20 5 CDBDHN Cc1nn(C)c(N[C@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343596380 152237847 /nfs/dbraw/zinc/23/78/47/152237847.db2.gz HCACDTPPAHQYGB-ZJUUUORDSA-N 0 3 267.333 1.531 20 5 CDBDHN O=[N+]([O-])c1cc(CNCCC2(O)CCOCC2)cs1 ZINC000285619901 196346400 /nfs/dbraw/zinc/34/64/00/196346400.db2.gz WJOCJSBEWWBEMV-UHFFFAOYSA-N 0 3 286.353 1.678 20 5 CDBDHN C[C@@H](NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060661 174071703 /nfs/dbraw/zinc/07/17/03/174071703.db2.gz DMSWAOUFADTXTN-MFKMUULPSA-N 0 3 266.297 1.661 20 5 CDBDHN COC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071269815 176103383 /nfs/dbraw/zinc/10/33/83/176103383.db2.gz NMNYCGMQLLONCY-CABZTGNLSA-N 0 3 254.286 1.253 20 5 CDBDHN COc1ccc(CNC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071305267 176115541 /nfs/dbraw/zinc/11/55/41/176115541.db2.gz UFWZZXVXHCKEKB-LBPRGKRZSA-N 0 3 266.297 1.464 20 5 CDBDHN O=C1C[C@@H](CNCc2csc([N+](=O)[O-])c2)CN1C1CC1 ZINC000520415594 265809754 /nfs/dbraw/zinc/80/97/54/265809754.db2.gz RYMSDMDIQLOMFW-VIFPVBQESA-N 0 3 295.364 1.757 20 5 CDBDHN COC[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000280875403 274048858 /nfs/dbraw/zinc/04/88/58/274048858.db2.gz DCWFEWXRLYFVQM-SMDDNHRTSA-N 0 3 280.324 1.569 20 5 CDBDHN CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000270394839 274186222 /nfs/dbraw/zinc/18/62/22/274186222.db2.gz UBKBAFFIJBVETJ-RYUDHWBXSA-N 0 3 296.396 1.780 20 5 CDBDHN CN1CCC[C@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292915181 277087546 /nfs/dbraw/zinc/08/75/46/277087546.db2.gz XUMFQLNFVXVUJZ-AWEZNQCLSA-N 0 3 276.340 1.912 20 5 CDBDHN CC(C)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000106912060 279299627 /nfs/dbraw/zinc/29/96/27/279299627.db2.gz DNZGVQIVVMIGTE-ZDUSSCGKSA-N 0 3 279.340 1.797 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000212553873 280087019 /nfs/dbraw/zinc/08/70/19/280087019.db2.gz BJDSNBBMQMHUGV-WZIXFXTNSA-N 0 3 289.335 1.817 20 5 CDBDHN COc1ccc(CNC(C)(C)CC(N)=O)cc1[N+](=O)[O-] ZINC000230649867 280117542 /nfs/dbraw/zinc/11/75/42/280117542.db2.gz IONBIWCNGFQQJY-UHFFFAOYSA-N 0 3 281.312 1.347 20 5 CDBDHN Cc1c(CNC(=O)CNC2CC2)cccc1[N+](=O)[O-] ZINC000231855953 280120411 /nfs/dbraw/zinc/12/04/11/280120411.db2.gz GHOQMEOYXNAMSZ-UHFFFAOYSA-N 0 3 263.297 1.271 20 5 CDBDHN CN(C)C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000416308945 289044845 /nfs/dbraw/zinc/04/48/45/289044845.db2.gz SOLLCUBSGJUFQR-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000558032953 290378791 /nfs/dbraw/zinc/37/87/91/290378791.db2.gz LFNWBBCNFFCLGU-AWEZNQCLSA-N 0 3 292.339 1.101 20 5 CDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN(C2CC2)C1 ZINC000568719270 294087062 /nfs/dbraw/zinc/08/70/62/294087062.db2.gz UPCQPAYQLFGWEN-LLVKDONJSA-N 0 3 276.340 1.910 20 5 CDBDHN CC[C@H]1CN(C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000569421204 294192019 /nfs/dbraw/zinc/19/20/19/294192019.db2.gz ASRVUZNEILRFFT-ZDUSSCGKSA-N 0 3 293.367 2.000 20 5 CDBDHN C[C@H](CNCCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000571790502 294506496 /nfs/dbraw/zinc/50/64/96/294506496.db2.gz QUPBBSLCGMBZEO-SNVBAGLBSA-N 0 3 286.353 1.160 20 5 CDBDHN COCC[C@](C)(O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820012 316377910 /nfs/dbraw/zinc/37/79/10/316377910.db2.gz AXMYOCLWHXKVBV-ZFWWWQNUSA-N 0 3 294.351 1.959 20 5 CDBDHN COC[C@H](O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575881616 317034206 /nfs/dbraw/zinc/03/42/06/317034206.db2.gz XFHRNXOXWFLUJJ-ZWNOBZJWSA-N 0 3 280.324 1.569 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1COCCO1 ZINC000580095139 324371236 /nfs/dbraw/zinc/37/12/36/324371236.db2.gz JDPKKCSYUHNSCO-MFKMUULPSA-N 0 3 278.308 1.587 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CNC(C)C ZINC000584183897 327062487 /nfs/dbraw/zinc/06/24/87/327062487.db2.gz AXGKLOAVNSFIOW-UHFFFAOYSA-N 0 3 281.312 1.218 20 5 CDBDHN C[C@@H]1C[C@H](C)CN(CCn2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000584242650 327125979 /nfs/dbraw/zinc/12/59/79/327125979.db2.gz BFUSHESPUSLLKA-PHIMTYICSA-N 0 3 297.330 1.874 20 5 CDBDHN CC(C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000049281811 519687711 /nfs/dbraw/zinc/68/77/11/519687711.db2.gz WWULAQZSTNGQLN-SNVBAGLBSA-N 0 3 250.302 1.884 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000068342095 522039920 /nfs/dbraw/zinc/03/99/20/522039920.db2.gz VIBSSZWDFGRZRU-SECBINFHSA-N 0 3 267.285 1.354 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000157350478 525434287 /nfs/dbraw/zinc/43/42/87/525434287.db2.gz BQZBOHNXPVCRQS-NXEZZACHSA-N 0 3 292.339 1.390 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2CC[C@](O)(C3CC3)C2)cc1 ZINC000365834046 527349594 /nfs/dbraw/zinc/34/95/94/527349594.db2.gz ACFJNEZJUNRSHX-CQSZACIVSA-N 0 3 262.309 1.942 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](O)C2)cc1 ZINC000067386385 527371843 /nfs/dbraw/zinc/37/18/43/527371843.db2.gz MPEWZZJMQKXSDS-GFCCVEGCSA-N 0 3 266.297 1.430 20 5 CDBDHN CC(COC(=O)c1cc(=O)[nH]c(C2CC2)c1)[N+](=O)[O-] ZINC000813103361 617342335 /nfs/dbraw/zinc/34/23/35/617342335.db2.gz PGVSRGAPMHYXAU-SSDOTTSWSA-N 0 3 266.253 1.487 20 5 CDBDHN CC(COC(=O)c1c(Cl)nc2ccccn21)[N+](=O)[O-] ZINC000813112366 617346785 /nfs/dbraw/zinc/34/67/85/617346785.db2.gz GBUOGDRCMXFKFQ-SSDOTTSWSA-N 0 3 283.671 1.810 20 5 CDBDHN CC(COC(=O)[C@]1(C)OCCc2ccccc21)[N+](=O)[O-] ZINC000893046621 618097143 /nfs/dbraw/zinc/09/71/43/618097143.db2.gz DKLWTKRRORZZCC-IINYFYTJSA-N 0 3 279.292 1.683 20 5 CDBDHN CC(COC(=O)c1ncsc1C1CC1)[N+](=O)[O-] ZINC000893048487 618100464 /nfs/dbraw/zinc/10/04/64/618100464.db2.gz WKJUENVHQIPXBL-ZCFIWIBFSA-N 0 3 256.283 1.843 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000893938743 618200386 /nfs/dbraw/zinc/20/03/86/618200386.db2.gz FPEMOMGAONYBII-MNOVXSKESA-N 0 3 279.344 1.260 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccc(Br)cc1 ZINC000905125166 626631786 /nfs/dbraw/zinc/63/17/86/626631786.db2.gz XJCUFQWDZSWYRW-UHFFFAOYSA-N 0 3 273.130 1.858 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC/C=C/Cl)c1 ZINC000905708736 626935476 /nfs/dbraw/zinc/93/54/76/626935476.db2.gz SNTZLRMNGHKYSX-DGXRNCNBSA-N 0 3 286.715 1.677 20 5 CDBDHN CN1CCN(C(=N)Nc2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001157914604 1162543371 /nfs/dbraw/zinc/54/33/71/1162543371.db2.gz IRAKLODDHKXIMJ-UHFFFAOYSA-N 0 3 298.734 1.237 20 5 CDBDHN C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170566068 1162932181 /nfs/dbraw/zinc/93/21/81/1162932181.db2.gz DMPHKLFAULFSIG-VXNVDRBHSA-N 0 3 286.719 1.432 20 5 CDBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168966589 1161995770 /nfs/dbraw/zinc/99/57/70/1161995770.db2.gz JPJNNALBVSIREE-DGCLKSJQSA-N 0 3 262.309 1.904 20 5 CDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCNC[C@@H]1F ZINC001580570149 1172470191 /nfs/dbraw/zinc/47/01/91/1172470191.db2.gz OIZGMVPNUSMZEI-WDEREUQCSA-N 0 3 299.277 1.093 20 5 CDBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN[C@H]2C[C@H]21 ZINC001580874913 1172557405 /nfs/dbraw/zinc/55/74/05/1172557405.db2.gz OPPMHUPIRSJBQA-NWDGAFQWSA-N 0 3 270.292 1.694 20 5 CDBDHN C[C@@H]1NC[C@H](C)N(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1C ZINC000401236088 1186407619 /nfs/dbraw/zinc/40/76/19/1186407619.db2.gz RGVUMPOJFGTHGY-CIUDSAMLSA-N 0 3 283.353 1.867 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CCC(N)=O ZINC000877520538 1166052091 /nfs/dbraw/zinc/05/20/91/1166052091.db2.gz AJMXSZPLPHCYNB-UHFFFAOYSA-N 0 3 265.313 1.519 20 5 CDBDHN COC[C@@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000893179731 796779334 /nfs/dbraw/zinc/77/93/34/796779334.db2.gz APCSTCNMSGPOJJ-LLVKDONJSA-N 0 3 296.323 1.824 20 5 CDBDHN Cc1cccc2c1O[C@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000835455746 796937443 /nfs/dbraw/zinc/93/74/43/796937443.db2.gz OLUXTJCFIVUFSQ-ONGXEEELSA-N 0 3 265.265 1.507 20 5 CDBDHN Cc1ccc(CN(CCO)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000714018179 797969815 /nfs/dbraw/zinc/96/98/15/797969815.db2.gz CCBINYBARNHJJX-NSHDSACASA-N 0 3 268.313 1.078 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC001173211193 912332597 /nfs/dbraw/zinc/33/25/97/912332597.db2.gz QYUXJLOUSRZEGP-CMPLNLGQSA-N 0 3 298.364 1.303 20 5 CDBDHN CC(COC(=O)[C@@H](C)OCc1ccc(F)cc1)[N+](=O)[O-] ZINC000835453394 897423857 /nfs/dbraw/zinc/42/38/57/897423857.db2.gz BUOPUXTYNZUHMW-VHSXEESVSA-N 0 3 285.271 1.939 20 5 CDBDHN CC(C)OCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124425120 936316059 /nfs/dbraw/zinc/31/60/59/936316059.db2.gz RNMZNDIGRSGGHQ-UHFFFAOYSA-N 0 3 295.339 1.226 20 5 CDBDHN CCCN(CC(=O)OCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039705 927651673 /nfs/dbraw/zinc/65/16/73/927651673.db2.gz SNHFKXJKIKBRCU-NEPJUHHUSA-N 0 3 272.345 1.707 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCOC[C@@H]2C2CC2)C1 ZINC001169047857 927665172 /nfs/dbraw/zinc/66/51/72/927665172.db2.gz RXPBESVLJRKDPF-KGYLQXTDSA-N 0 3 254.330 1.543 20 5 CDBDHN CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CCN(C)CC1 ZINC000861890304 929347523 /nfs/dbraw/zinc/34/75/23/929347523.db2.gz HEZXFGMAJCLWNP-UHFFFAOYSA-N 0 3 285.388 1.765 20 5 CDBDHN CN1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885944137 930775341 /nfs/dbraw/zinc/77/53/41/930775341.db2.gz KQSKXCWEIAWUJX-UHFFFAOYSA-N 0 3 250.302 1.127 20 5 CDBDHN Cc1cc(CN)nn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001156038214 938312307 /nfs/dbraw/zinc/31/23/07/938312307.db2.gz FQGTZNQSULPPGN-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN CO[C@@H]1CCN(CCOc2cc(=O)[nH]c(C)c2[N+](=O)[O-])C1 ZINC001228688950 942359072 /nfs/dbraw/zinc/35/90/72/942359072.db2.gz NHMMJDQBHZHGBC-SNVBAGLBSA-N 0 3 297.311 1.103 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698172 942360912 /nfs/dbraw/zinc/36/09/12/942360912.db2.gz OGLDVNMWWFGIPA-JTQLQIEISA-N 0 3 262.337 1.340 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698172 942360916 /nfs/dbraw/zinc/36/09/16/942360916.db2.gz OGLDVNMWWFGIPA-JTQLQIEISA-N 0 3 262.337 1.340 20 5 CDBDHN CN1CCC(Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1 ZINC001230225417 942592472 /nfs/dbraw/zinc/59/24/72/942592472.db2.gz TZNCRCYVYPCTMS-UHFFFAOYSA-N 0 3 277.284 1.339 20 5 CDBDHN COCCNCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001263197197 943783164 /nfs/dbraw/zinc/78/31/64/943783164.db2.gz OUAZMXDWDDUGPD-JTQLQIEISA-N 0 3 281.312 1.008 20 5 CDBDHN Nc1ccncc1-c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC001254167715 947320226 /nfs/dbraw/zinc/32/02/26/947320226.db2.gz YHCKLXCGNVZADT-UHFFFAOYSA-N 0 3 298.262 1.356 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cnccn1)C2 ZINC001254573096 947532869 /nfs/dbraw/zinc/53/28/69/947532869.db2.gz WQCFKZYSEILXBY-LBPRGKRZSA-N 0 3 270.292 1.642 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCc3nncn3CC1)C2 ZINC001254595864 947546050 /nfs/dbraw/zinc/54/60/50/947546050.db2.gz ZXIJGAGXVHMXBG-AWEZNQCLSA-N 0 3 299.334 1.212 20 5 CDBDHN C[C@@H]1C[C@@H](C)CN(CCn2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001328047579 955171703 /nfs/dbraw/zinc/17/17/03/955171703.db2.gz XRAJEQFCLPLTAB-NXEZZACHSA-N 0 3 297.315 1.677 20 5 CDBDHN CC(COC(=O)[C@@]1(C)CCOc2ccccc21)[N+](=O)[O-] ZINC001344809721 964438784 /nfs/dbraw/zinc/43/87/84/964438784.db2.gz YCKYPMBNCQNGGE-HZMBPMFUSA-N 0 3 279.292 1.935 20 5 CDBDHN C[C@@H](O)CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094836 967027636 /nfs/dbraw/zinc/02/76/36/967027636.db2.gz PGJRVGKOISUIDY-QMTHXVAHSA-N 0 3 280.324 1.473 20 5 CDBDHN CN(C(=O)[C@H](N)C(C)(C)C)c1ccc([N+](=O)[O-])nc1 ZINC001573851678 1170804509 /nfs/dbraw/zinc/80/45/09/1170804509.db2.gz XWJQMTHMHZPRCW-JTQLQIEISA-N 0 3 266.301 1.326 20 5 CDBDHN CCOc1cc(N[C@@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000589102029 342497023 /nfs/dbraw/zinc/49/70/23/342497023.db2.gz UJFCIKXYNDPNLE-LLVKDONJSA-N 0 3 283.328 1.328 20 5 CDBDHN CCOC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000231885104 341994844 /nfs/dbraw/zinc/99/48/44/341994844.db2.gz ADPWOLMQGBNXHR-GFCCVEGCSA-N 0 3 268.313 1.390 20 5 CDBDHN Cc1c([C@H](C)NCCOCCO)cccc1[N+](=O)[O-] ZINC000159137849 398172827 /nfs/dbraw/zinc/17/28/27/398172827.db2.gz PWDSFFPFEXGXHN-NSHDSACASA-N 0 3 268.313 1.563 20 5 CDBDHN CO[C@@H](C)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000608837828 342076876 /nfs/dbraw/zinc/07/68/76/342076876.db2.gz MMHMOXYUQQBCGP-JTQLQIEISA-N 0 3 296.323 1.881 20 5 CDBDHN C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])N(C)C ZINC000037992638 342094494 /nfs/dbraw/zinc/09/44/94/342094494.db2.gz CDNLBSXXAPIZAO-SSDOTTSWSA-N 0 3 269.330 1.666 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000591473438 342634422 /nfs/dbraw/zinc/63/44/22/342634422.db2.gz XYDYTSZSGVLOOQ-BJHJDKERSA-N 0 3 250.298 1.798 20 5 CDBDHN CC(C)Oc1nc(N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000594552702 342916501 /nfs/dbraw/zinc/91/65/01/342916501.db2.gz ISQMSOHWTKUWOD-UHFFFAOYSA-N 0 3 282.344 1.775 20 5 CDBDHN Cc1nccn1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000049330189 282209098 /nfs/dbraw/zinc/20/90/98/282209098.db2.gz QCSHLQGKSYDGNP-UHFFFAOYSA-N 0 3 260.297 1.890 20 5 CDBDHN CCN1CCN(CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000075469731 342311060 /nfs/dbraw/zinc/31/10/60/342311060.db2.gz AGZBHXMUWSBOOW-UHFFFAOYSA-N 0 3 293.371 1.429 20 5 CDBDHN CC(C)[NH2+]C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596104606 343228006 /nfs/dbraw/zinc/22/80/06/343228006.db2.gz IOMHGDKRQZVFNV-UHFFFAOYSA-N 0 3 280.328 1.662 20 5 CDBDHN C[N@@H+]1CCC[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596272239 343293906 /nfs/dbraw/zinc/29/39/06/343293906.db2.gz VGRDZTRLBYFWBT-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN C[N@H+]1CCC[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596272239 343293908 /nfs/dbraw/zinc/29/39/08/343293908.db2.gz VGRDZTRLBYFWBT-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN CO[C@H]1COC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000290132502 362180433 /nfs/dbraw/zinc/18/04/33/362180433.db2.gz LZELCVHQAXXMNE-STQMWFEESA-N 0 3 266.297 1.141 20 5 CDBDHN Cc1n[nH]c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922648 343662501 /nfs/dbraw/zinc/66/25/01/343662501.db2.gz JYCJRBIHBQYXQT-VIFPVBQESA-N 0 3 295.343 1.229 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000598572758 343832932 /nfs/dbraw/zinc/83/29/32/343832932.db2.gz GUEHAXAAUFGADE-ZDUSSCGKSA-N 0 3 291.351 1.973 20 5 CDBDHN CCOc1cc(CN(C)CCC(=O)NC)ccc1[N+](=O)[O-] ZINC000276976001 362257776 /nfs/dbraw/zinc/25/77/76/362257776.db2.gz XOOFPNSFNAJBEC-UHFFFAOYSA-N 0 3 295.339 1.561 20 5 CDBDHN Cc1cccc(NCCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176363 343966185 /nfs/dbraw/zinc/96/61/85/343966185.db2.gz RNDNMDDHRFPSCD-LLVKDONJSA-N 0 3 265.313 1.382 20 5 CDBDHN CCOCCN(CC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602775662 344578355 /nfs/dbraw/zinc/57/83/55/344578355.db2.gz LYWQNCVLRBKAHZ-UHFFFAOYSA-N 0 3 270.333 1.458 20 5 CDBDHN CO[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602826859 344612480 /nfs/dbraw/zinc/61/24/80/344612480.db2.gz OHWIZTPOCXUMAY-CMPLNLGQSA-N 0 3 282.344 1.599 20 5 CDBDHN CC[C@@]1(O)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602983347 344675238 /nfs/dbraw/zinc/67/52/38/344675238.db2.gz IPQIKKJFISSDLQ-CYBMUJFWSA-N 0 3 282.344 1.337 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603202589 344734259 /nfs/dbraw/zinc/73/42/59/344734259.db2.gz KYZPSHIVPXCGLR-SNVBAGLBSA-N 0 3 279.275 1.784 20 5 CDBDHN C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCN1 ZINC000302557173 344868184 /nfs/dbraw/zinc/86/81/84/344868184.db2.gz LGPJCWZNPISGNQ-SSDOTTSWSA-N 0 3 256.693 1.441 20 5 CDBDHN CCOc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000033093456 345441607 /nfs/dbraw/zinc/44/16/07/345441607.db2.gz MELAGKXHIPDCMJ-SNVBAGLBSA-N 0 3 295.339 1.673 20 5 CDBDHN CC(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000152892486 347630178 /nfs/dbraw/zinc/63/01/78/347630178.db2.gz JQCYFJKMNQHPRS-GFCCVEGCSA-N 0 3 263.297 1.305 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCCN(C)CC1 ZINC000015261240 348522217 /nfs/dbraw/zinc/52/22/17/348522217.db2.gz LUUSSOHOGXXVAP-UHFFFAOYSA-N 0 3 279.340 1.741 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106880495 186145705 /nfs/dbraw/zinc/14/57/05/186145705.db2.gz LVUXBAHBTWTUOF-GFCCVEGCSA-N 0 3 266.297 1.694 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000109849872 186277478 /nfs/dbraw/zinc/27/74/78/186277478.db2.gz DQRLTWKLDXEOOQ-JTQLQIEISA-N 0 3 263.297 1.276 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2CO)cc1 ZINC000110463493 186296832 /nfs/dbraw/zinc/29/68/32/186296832.db2.gz GRPFQTGBQLNVAJ-GFCCVEGCSA-N 0 3 266.297 1.430 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1C[C@@H](C)O ZINC000312781125 350792388 /nfs/dbraw/zinc/79/23/88/350792388.db2.gz FWBNOEITDNEYHG-PWSUYJOCSA-N 0 3 282.344 1.335 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000079767432 350966772 /nfs/dbraw/zinc/96/67/72/350966772.db2.gz KWSJTMQCBHZQQM-ZDUSSCGKSA-N 0 3 250.298 1.798 20 5 CDBDHN CC[C@H](O)CNCc1cc([N+](=O)[O-])ccc1OC ZINC000124750884 351194760 /nfs/dbraw/zinc/19/47/60/351194760.db2.gz RGSSXGNRLXPZSA-NSHDSACASA-N 0 3 254.286 1.464 20 5 CDBDHN CC1(C)CCCN1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000454358412 252344379 /nfs/dbraw/zinc/34/43/79/252344379.db2.gz QKEYKXINZGACCG-UHFFFAOYSA-N 0 3 280.328 1.527 20 5 CDBDHN COc1cc(C(=O)N2CCCNCC2)ccc1[N+](=O)[O-] ZINC000156670832 188275309 /nfs/dbraw/zinc/27/53/09/188275309.db2.gz GSHOGFXRECLMIZ-UHFFFAOYSA-N 0 3 279.296 1.039 20 5 CDBDHN Cn1ccc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000112837749 366158096 /nfs/dbraw/zinc/15/80/96/366158096.db2.gz BFXVRYPIVDLUNW-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN Cc1c(CN2CC[C@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000411942608 363379627 /nfs/dbraw/zinc/37/96/27/363379627.db2.gz PWTNUYMYVGGCEN-ZDUSSCGKSA-N 0 3 291.351 1.813 20 5 CDBDHN CC(C)[C@H](CCO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000219416942 356341097 /nfs/dbraw/zinc/34/10/97/356341097.db2.gz JPLGSQLGGDKKKT-LBPRGKRZSA-N 0 3 297.311 2.000 20 5 CDBDHN CC(C)(C)NC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000134593123 356355390 /nfs/dbraw/zinc/35/53/90/356355390.db2.gz UMHCSSSQVSVFDY-UHFFFAOYSA-N 0 3 279.340 1.989 20 5 CDBDHN CN1CC[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272190775 283153217 /nfs/dbraw/zinc/15/32/17/283153217.db2.gz MHOYBHZSEGEQHT-CMPLNLGQSA-N 0 3 262.313 1.520 20 5 CDBDHN CC(C)N1CCC(N(C)c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273604883 192226741 /nfs/dbraw/zinc/22/67/41/192226741.db2.gz KGFMWVWOXDXNEF-UHFFFAOYSA-N 0 3 279.344 1.694 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286449532 356423871 /nfs/dbraw/zinc/42/38/71/356423871.db2.gz JTPPKHMUGCLQKJ-CHWSQXEVSA-N 0 3 250.298 1.940 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC(CCCO)CC2)n1 ZINC000360085092 356674548 /nfs/dbraw/zinc/67/45/48/356674548.db2.gz OWKCANPMZNJBFV-UHFFFAOYSA-N 0 3 282.344 1.276 20 5 CDBDHN C[C@@H](O)CCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249054 357424750 /nfs/dbraw/zinc/42/47/50/357424750.db2.gz BPDWVVPHNSXPMY-NEPJUHHUSA-N 0 3 298.339 1.037 20 5 CDBDHN CC(C)N(CCOCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000283776225 357599901 /nfs/dbraw/zinc/59/99/01/357599901.db2.gz QIFGSYYNVOCBPH-UHFFFAOYSA-N 0 3 282.340 1.814 20 5 CDBDHN CC1(C)CNCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000135241258 357806000 /nfs/dbraw/zinc/80/60/00/357806000.db2.gz KEZHVIMNZDKMGA-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286885303 358023563 /nfs/dbraw/zinc/02/35/63/358023563.db2.gz AMUQEFYFHVIJIO-JTQLQIEISA-N 0 3 293.327 1.065 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000286965251 358047020 /nfs/dbraw/zinc/04/70/20/358047020.db2.gz LMIZDBWPEDSYAJ-VIFPVBQESA-N 0 3 299.302 1.179 20 5 CDBDHN C[C@H]1CCNC(=O)[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000193622629 358309841 /nfs/dbraw/zinc/30/98/41/358309841.db2.gz HCKAEFPJNNKAJV-GWCFXTLKSA-N 0 3 277.324 1.252 20 5 CDBDHN CC[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341583091 358666353 /nfs/dbraw/zinc/66/63/53/358666353.db2.gz JZLPQDFZIAKQAV-NSHDSACASA-N 0 3 265.313 1.631 20 5 CDBDHN CC[C@@H]1CCCCN1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000264904833 358761781 /nfs/dbraw/zinc/76/17/81/358761781.db2.gz CTDORSCWHCJTPG-SNVBAGLBSA-N 0 3 294.359 1.643 20 5 CDBDHN CC[C@@H]1CN(CC)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000451731977 359073770 /nfs/dbraw/zinc/07/37/70/359073770.db2.gz SFRAUGWBUGPIMF-LLVKDONJSA-N 0 3 281.360 1.244 20 5 CDBDHN C[C@H](NC1CC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296523663 199919499 /nfs/dbraw/zinc/91/94/99/199919499.db2.gz SFIVDCZBGKWGLY-UWVGGRQHSA-N 0 3 277.324 1.913 20 5 CDBDHN COc1ccc(CNCC(C)(C)O)cc1[N+](=O)[O-] ZINC000112675296 359342214 /nfs/dbraw/zinc/34/22/14/359342214.db2.gz PZHASUYBGNQYIO-UHFFFAOYSA-N 0 3 254.286 1.464 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1N[C@H](CO)CN1CCCCC1 ZINC000288826604 359403355 /nfs/dbraw/zinc/40/33/55/359403355.db2.gz BESDKRIHIAQIKE-LBPRGKRZSA-N 0 3 297.330 1.993 20 5 CDBDHN CSC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296736823 359443150 /nfs/dbraw/zinc/44/31/50/359443150.db2.gz ONAYOAIVWKPXQL-JOYOIKCWSA-N 0 3 270.354 1.969 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCSC2)cc1 ZINC000176751158 189007341 /nfs/dbraw/zinc/00/73/41/189007341.db2.gz QZQOCZHSQDZGMW-LBPRGKRZSA-N 0 3 268.338 1.552 20 5 CDBDHN C[C@@H]1NCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000514783989 360225745 /nfs/dbraw/zinc/22/57/45/360225745.db2.gz ZUJKIYGJHOTNBE-QWRGUYRKSA-N 0 3 292.339 1.487 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)N(C)C)n1 ZINC000166738843 360270332 /nfs/dbraw/zinc/27/03/32/360270332.db2.gz FCRKYTPCEMVPSB-QMMMGPOBSA-N 0 3 282.300 1.138 20 5 CDBDHN CCCN(C)CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000340431858 360706251 /nfs/dbraw/zinc/70/62/51/360706251.db2.gz JUOJIDSDNFXQBO-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN CN1CC[C@@](O)(CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000358297689 360936876 /nfs/dbraw/zinc/93/68/76/360936876.db2.gz FSYGKTUKZXBEQS-LLVKDONJSA-N 0 3 286.719 1.122 20 5 CDBDHN CC[C@@H](N[C@@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000295851595 370693700 /nfs/dbraw/zinc/69/37/00/370693700.db2.gz DYQHDAGOIQMETC-JHJVBQTASA-N 0 3 266.297 1.395 20 5 CDBDHN N[C@H](CC(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000345682673 361394379 /nfs/dbraw/zinc/39/43/79/361394379.db2.gz AZZGVOURGIIBNB-SECBINFHSA-N 0 3 285.250 1.466 20 5 CDBDHN CCOc1cc(N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC000301996200 201292612 /nfs/dbraw/zinc/29/26/12/201292612.db2.gz HQCNUSFMDKNCDR-UHFFFAOYSA-N 0 3 265.313 1.744 20 5 CDBDHN C[C@@H]1C[C@H](C)CN(CCn2nccc2[N+](=O)[O-])C1 ZINC000581835578 364044934 /nfs/dbraw/zinc/04/49/34/364044934.db2.gz DXLFELYCUNDRPZ-PHIMTYICSA-N 0 3 252.318 1.769 20 5 CDBDHN Cc1ccc([C@@H](C)NCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000148685743 364104838 /nfs/dbraw/zinc/10/48/38/364104838.db2.gz WIRRMZYUXPNTRI-LLVKDONJSA-N 0 3 289.339 1.925 20 5 CDBDHN Cc1c(CN[C@H](CO)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411998524 239898035 /nfs/dbraw/zinc/89/80/35/239898035.db2.gz WGPWZOQRPKFKPK-ZIAGYGMSSA-N 0 3 294.351 1.780 20 5 CDBDHN O=[N+]([O-])c1ccc(CN(CCO)C2CCOCC2)cc1 ZINC000275617882 193087845 /nfs/dbraw/zinc/08/78/45/193087845.db2.gz TXHZWCBFOFJIJQ-UHFFFAOYSA-N 0 3 280.324 1.568 20 5 CDBDHN CO[C@@H]1COC[C@@H]1N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000459756988 366934508 /nfs/dbraw/zinc/93/45/08/366934508.db2.gz OQLAIHNGHVAWIY-VHRBIJSZSA-N 0 3 280.324 1.529 20 5 CDBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000054613246 367729501 /nfs/dbraw/zinc/72/95/01/367729501.db2.gz DWARFIZHANVIFV-LLVKDONJSA-N 0 3 250.302 1.886 20 5 CDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000272437755 367732458 /nfs/dbraw/zinc/73/24/58/367732458.db2.gz IFVOUKAZDJMLSK-MWLCHTKSSA-N 0 3 278.312 1.089 20 5 CDBDHN C[S@](=O)C1(CNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000280561876 291451782 /nfs/dbraw/zinc/45/17/82/291451782.db2.gz FXQGZYUYDICFJJ-IBGZPJMESA-N 0 3 282.365 1.986 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000037646939 369495266 /nfs/dbraw/zinc/49/52/66/369495266.db2.gz HZCYPUXGOMUDOB-VIFPVBQESA-N 0 3 297.742 1.930 20 5 CDBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000344643255 372791621 /nfs/dbraw/zinc/79/16/21/372791621.db2.gz VFFSQEKKQHDZQD-UHFFFAOYSA-N 0 3 280.328 1.479 20 5 CDBDHN Cc1ccc(NC(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000298421434 373520759 /nfs/dbraw/zinc/52/07/59/373520759.db2.gz VOODFGLAMVLRPS-JTQLQIEISA-N 0 3 280.328 1.975 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2CO)cc1 ZINC000065534023 373654332 /nfs/dbraw/zinc/65/43/32/373654332.db2.gz HEZFNKIZVDOWDQ-ZDUSSCGKSA-N 0 3 280.324 1.820 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](O)C2)cc1 ZINC000065208351 374256801 /nfs/dbraw/zinc/25/68/01/374256801.db2.gz MPEWZZJMQKXSDS-LBPRGKRZSA-N 0 3 266.297 1.430 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCCC3(CCOCC3)C2)n1 ZINC000370030268 374374356 /nfs/dbraw/zinc/37/43/56/374374356.db2.gz WFUHQHXAGBTAHG-UHFFFAOYSA-N 0 3 294.355 1.684 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000115442504 374407433 /nfs/dbraw/zinc/40/74/33/374407433.db2.gz VKHCVAFODVTERN-SNVBAGLBSA-N 0 3 281.312 1.602 20 5 CDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147814 374454019 /nfs/dbraw/zinc/45/40/19/374454019.db2.gz RJTSGSZZSPBVLY-MNOVXSKESA-N 0 3 294.355 1.773 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](O)C2(CC2)C1 ZINC000376894602 374575509 /nfs/dbraw/zinc/57/55/09/374575509.db2.gz IJZZYZNQECJSEG-ZDUSSCGKSA-N 0 3 262.309 1.860 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000351949833 374697783 /nfs/dbraw/zinc/69/77/83/374697783.db2.gz APIKWQQAZHENCO-PWSUYJOCSA-N 0 3 266.297 1.286 20 5 CDBDHN CC[C@@H](NC[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154340913 374697836 /nfs/dbraw/zinc/69/78/36/374697836.db2.gz VUKCWGFDSVDNPU-UONOGXRCSA-N 0 3 281.356 1.558 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)[C@@H]2CCCO2)c1 ZINC000447907488 374720619 /nfs/dbraw/zinc/72/06/19/374720619.db2.gz RWFNHCJXUSONAN-STQMWFEESA-N 0 3 266.297 1.224 20 5 CDBDHN CC1=C(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000280751715 375018515 /nfs/dbraw/zinc/01/85/15/375018515.db2.gz NIXYJJBFPVUICB-UHFFFAOYSA-N 0 3 277.324 1.799 20 5 CDBDHN C[C@H](O)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000131266547 375208466 /nfs/dbraw/zinc/20/84/66/375208466.db2.gz BWMNYJHHULYJNV-JTQLQIEISA-N 0 3 254.286 1.286 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223783 375545419 /nfs/dbraw/zinc/54/54/19/375545419.db2.gz ITIGQRMEIXUIOA-SNVBAGLBSA-N 0 3 279.275 1.784 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000132817365 375601041 /nfs/dbraw/zinc/60/10/41/375601041.db2.gz YEJLKHMPTPVNKR-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354601899 375730642 /nfs/dbraw/zinc/73/06/42/375730642.db2.gz WHOLDMWNQRPCDE-WDEREUQCSA-N 0 3 279.344 1.694 20 5 CDBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C1CC1 ZINC000357433087 375908449 /nfs/dbraw/zinc/90/84/49/375908449.db2.gz CPWRDUMRRPUSOH-OLZOCXBDSA-N 0 3 294.355 1.273 20 5 CDBDHN CC1(C)CCCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347496550 376310564 /nfs/dbraw/zinc/31/05/64/376310564.db2.gz YUWWUCJVVPEBTM-UHFFFAOYSA-N 0 3 294.355 1.775 20 5 CDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000073994232 376789044 /nfs/dbraw/zinc/78/90/44/376789044.db2.gz BXWAIXWIWARZLG-GXTWGEPZSA-N 0 3 289.335 1.904 20 5 CDBDHN COCC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000172070149 377240149 /nfs/dbraw/zinc/24/01/49/377240149.db2.gz REUVZUMTDYWHEC-ZDUSSCGKSA-N 0 3 268.313 1.472 20 5 CDBDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000443332465 250024152 /nfs/dbraw/zinc/02/41/52/250024152.db2.gz HSYFZBQSPODMIG-UTUOFQBUSA-N 0 3 282.344 1.273 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000285468439 390820502 /nfs/dbraw/zinc/82/05/02/390820502.db2.gz ZZOCPGCGDPOWPG-LBPRGKRZSA-N 0 3 250.298 1.858 20 5 CDBDHN COC[C@](C)(O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517173220 390968597 /nfs/dbraw/zinc/96/85/97/390968597.db2.gz RUKNARDETJHNAQ-TZMCWYRMSA-N 0 3 280.324 1.569 20 5 CDBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449651803 391190071 /nfs/dbraw/zinc/19/00/71/391190071.db2.gz AECVEMSVZSHJDF-JTQLQIEISA-N 0 3 285.250 1.322 20 5 CDBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)c3F)C[C@@H]21 ZINC000519864657 391242442 /nfs/dbraw/zinc/24/24/42/391242442.db2.gz BAFIPYOIEKJDKT-KCJUWKMLSA-N 0 3 280.303 1.456 20 5 CDBDHN C[C@H]1CN(C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000408450440 391515934 /nfs/dbraw/zinc/51/59/34/391515934.db2.gz JEZVAZUPWZIRBM-VIFPVBQESA-N 0 3 275.312 1.611 20 5 CDBDHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000292261410 391570760 /nfs/dbraw/zinc/57/07/60/391570760.db2.gz PNCZZPOOUKLYHX-ZDUSSCGKSA-N 0 3 279.296 1.356 20 5 CDBDHN CCN1CCCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000297274075 391858632 /nfs/dbraw/zinc/85/86/32/391858632.db2.gz WZFRYFHLCHICOX-UHFFFAOYSA-N 0 3 265.317 1.225 20 5 CDBDHN CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C(C)(C)CN1CCCC1 ZINC000416336370 392010074 /nfs/dbraw/zinc/01/00/74/392010074.db2.gz YWOMZUODUOYUAE-UHFFFAOYSA-N 0 3 295.343 1.264 20 5 CDBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195508233 130745023 /nfs/dbraw/zinc/74/50/23/130745023.db2.gz LKVMLHPKNUXYEP-UHFFFAOYSA-N 0 3 285.373 1.101 20 5 CDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1CC(C)(C)O ZINC000275623398 135110858 /nfs/dbraw/zinc/11/08/58/135110858.db2.gz VDPMZCXDYQGZEW-GFCCVEGCSA-N 0 3 293.367 1.876 20 5 CDBDHN COc1cc(CN2CC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000488744935 398133509 /nfs/dbraw/zinc/13/35/09/398133509.db2.gz AJKAOAVQKFDZSW-JQWIXIFHSA-N 0 3 280.324 1.806 20 5 CDBDHN Cn1cnc(CCNCc2cccc([N+](=O)[O-])c2)n1 ZINC000095016017 147106452 /nfs/dbraw/zinc/10/64/52/147106452.db2.gz SLQAIVCRAPTUEB-UHFFFAOYSA-N 0 3 261.285 1.056 20 5 CDBDHN C[C@](O)(CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000336794988 151712041 /nfs/dbraw/zinc/71/20/41/151712041.db2.gz HAFYYICXBMFDIE-ZDUSSCGKSA-N 0 3 250.298 1.845 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343429979 152171607 /nfs/dbraw/zinc/17/16/07/152171607.db2.gz IAEXELWHMKPKLK-BXUZGUMPSA-N 0 3 291.351 1.736 20 5 CDBDHN COc1ccc(CN(C)[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000352679390 155358320 /nfs/dbraw/zinc/35/83/20/155358320.db2.gz ZRPWMUOOLUCUKQ-AAEUAGOBSA-N 0 3 280.324 1.949 20 5 CDBDHN CCCN(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355582108 157129665 /nfs/dbraw/zinc/12/96/65/157129665.db2.gz JXDDJASZYZZGHX-UHFFFAOYSA-N 0 3 296.323 1.988 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000285321800 196250806 /nfs/dbraw/zinc/25/08/06/196250806.db2.gz NBNIGCINWSJBAQ-UHFFFAOYSA-N 0 3 274.324 1.966 20 5 CDBDHN C[C@H](NCC1([S@](C)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358713 196259672 /nfs/dbraw/zinc/25/96/72/196259672.db2.gz VNLNWWJZTWPLQC-LXGOIASLSA-N 0 3 297.380 1.739 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000285493654 196304178 /nfs/dbraw/zinc/30/41/78/196304178.db2.gz POQNUGWAECQXIG-SNVBAGLBSA-N 0 3 293.327 1.018 20 5 CDBDHN Cc1c(CN(C)C2(CO)CC2)cccc1[N+](=O)[O-] ZINC000285511298 196309186 /nfs/dbraw/zinc/30/91/86/196309186.db2.gz NNKJGBHQPVAREZ-UHFFFAOYSA-N 0 3 250.298 1.860 20 5 CDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1 ZINC000040676236 174374007 /nfs/dbraw/zinc/37/40/07/174374007.db2.gz GLBCNPGVODQWEJ-ZDUSSCGKSA-N 0 3 277.324 1.396 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)C2CCC2)c(F)c1 ZINC000316250898 270329039 /nfs/dbraw/zinc/32/90/39/270329039.db2.gz VHPGNWZCYXJYMM-CYBMUJFWSA-N 0 3 268.288 1.985 20 5 CDBDHN C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248956676 280397657 /nfs/dbraw/zinc/39/76/57/280397657.db2.gz QIYFIGWYJIMCSQ-RISCZKNCSA-N 0 3 280.324 1.676 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CC(N)=O ZINC000551679786 290012104 /nfs/dbraw/zinc/01/21/04/290012104.db2.gz CANFISBQHBNVEA-UWVGGRQHSA-N 0 3 265.313 1.818 20 5 CDBDHN O=C1NCC[C@H]1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000563349248 316260482 /nfs/dbraw/zinc/26/04/82/316260482.db2.gz FSDAVTVXHDIAFE-LBPRGKRZSA-N 0 3 289.335 1.479 20 5 CDBDHN CC(C)(C)N[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000576475898 317145875 /nfs/dbraw/zinc/14/58/75/317145875.db2.gz PKRMRIPRKWFVRO-LLVKDONJSA-N 0 3 291.307 1.615 20 5 CDBDHN CCN(C)CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185130480 323382896 /nfs/dbraw/zinc/38/28/96/323382896.db2.gz PJEKVZPDGHATNH-JTQLQIEISA-N 0 3 297.330 1.905 20 5 CDBDHN COc1ccc(CNC[C@@H](O)CSC)cc1[N+](=O)[O-] ZINC000579305161 324149433 /nfs/dbraw/zinc/14/94/33/324149433.db2.gz MOPKHVSZKDIPSR-SNVBAGLBSA-N 0 3 286.353 1.417 20 5 CDBDHN CC(C)Oc1nc(N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000583575364 325203264 /nfs/dbraw/zinc/20/32/64/325203264.db2.gz CGDUXTDLNQFWML-JTQLQIEISA-N 0 3 282.344 1.561 20 5 CDBDHN CCN(CCO)CCNCc1csc([N+](=O)[O-])c1 ZINC000184540665 521118729 /nfs/dbraw/zinc/11/87/29/521118729.db2.gz BVJAAOHCLMAIAL-UHFFFAOYSA-N 0 3 273.358 1.060 20 5 CDBDHN COc1ccc(CNCCn2ccnc2)cc1[N+](=O)[O-] ZINC000049077276 524071713 /nfs/dbraw/zinc/07/17/13/524071713.db2.gz XJKFCPNAQIYHJM-UHFFFAOYSA-N 0 3 276.296 1.590 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N(C)C1CC1 ZINC000184369800 524714654 /nfs/dbraw/zinc/71/46/54/524714654.db2.gz WJYYUDHNFVCOOI-VIFPVBQESA-N 0 3 292.339 1.390 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000125253125 527386622 /nfs/dbraw/zinc/38/66/22/527386622.db2.gz GCMFZXXKVSYUAM-YUTCNCBUSA-N 0 3 262.309 1.798 20 5 CDBDHN CN(c1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000741750455 576570917 /nfs/dbraw/zinc/57/09/17/576570917.db2.gz VNPDLIFINYQJLZ-LLVKDONJSA-N 0 3 289.339 1.773 20 5 CDBDHN CN(C)C1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC000763055509 576705049 /nfs/dbraw/zinc/70/50/49/576705049.db2.gz NRTVBNHNONRWJD-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN Cc1cc(F)cc(C(=O)NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000753092639 577145088 /nfs/dbraw/zinc/14/50/88/577145088.db2.gz FQAMTVKJPRTROA-JTQLQIEISA-N 0 3 295.314 1.724 20 5 CDBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1[N+](=O)[O-] ZINC000813112704 617347193 /nfs/dbraw/zinc/34/71/93/617347193.db2.gz TYQDUEVKVDOWPR-ZETCQYMHSA-N 0 3 284.224 1.425 20 5 CDBDHN COc1c(O)ccc(CN[C@H]2C[C@H](OC)C2)c1[N+](=O)[O-] ZINC000895666652 619794719 /nfs/dbraw/zinc/79/47/19/619794719.db2.gz PXDQYEBEMNXRSH-MGCOHNPYSA-N 0 3 282.296 1.576 20 5 CDBDHN O=[N+]([O-])c1cc(CNCC[C@H](O)C2CC2)cs1 ZINC000898205205 621361923 /nfs/dbraw/zinc/36/19/23/621361923.db2.gz BMKDBOHVMQBMNE-JTQLQIEISA-N 0 3 256.327 1.907 20 5 CDBDHN O=[N+]([O-])CCNCCc1cc(Cl)c2c(c1)OCCO2 ZINC000899865753 622498595 /nfs/dbraw/zinc/49/85/95/622498595.db2.gz UFSWNDLAVCRJFC-UHFFFAOYSA-N 0 3 286.715 1.520 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NC[C@H]1COCCO1)CNC2 ZINC001168268783 1160609558 /nfs/dbraw/zinc/60/95/58/1160609558.db2.gz VXEQZOMFBCNUCH-NSHDSACASA-N 0 3 279.296 1.025 20 5 CDBDHN O=[N+]([O-])c1cc(CO)c(N[C@H]2CCN(C3CC3)C2)cc1F ZINC000865465835 1164650769 /nfs/dbraw/zinc/65/07/69/1164650769.db2.gz KYIKOWFKAYJERB-JTQLQIEISA-N 0 3 295.314 1.875 20 5 CDBDHN CC(COC(=O)Cc1ccc(Cl)cn1)[N+](=O)[O-] ZINC000873533264 1165568898 /nfs/dbraw/zinc/56/88/98/1165568898.db2.gz VKUNPUWNLVKLKO-SSDOTTSWSA-N 0 3 258.661 1.486 20 5 CDBDHN C[C@@H](CNC(=O)OC1CNC1)c1ccccc1[N+](=O)[O-] ZINC001576029622 1171316379 /nfs/dbraw/zinc/31/63/79/1171316379.db2.gz OVJBFBTVXGOKSM-VIFPVBQESA-N 0 3 279.296 1.396 20 5 CDBDHN Cc1nn2c(nc(C)cc2C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111212 1163815394 /nfs/dbraw/zinc/81/53/94/1163815394.db2.gz CVXFGBIEZKVAIS-SECBINFHSA-N 0 3 292.295 1.477 20 5 CDBDHN CN1CCCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000228387347 1164412214 /nfs/dbraw/zinc/41/22/14/1164412214.db2.gz PJAPPELMRQZUOA-JTQLQIEISA-N 0 3 250.302 1.886 20 5 CDBDHN CC(C)NC(=O)CN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866218561 1164753478 /nfs/dbraw/zinc/75/34/78/1164753478.db2.gz RRADHEGDRMQDLL-SNVBAGLBSA-N 0 3 297.330 1.779 20 5 CDBDHN C[C@@H](O)CCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279845 805334535 /nfs/dbraw/zinc/33/45/35/805334535.db2.gz YIGKCOGPZFAXKK-ZWNOBZJWSA-N 0 3 268.313 1.331 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)SCC(=O)N2)[N+](=O)[O-] ZINC000813109147 811266315 /nfs/dbraw/zinc/26/63/15/811266315.db2.gz GDLUIOYBSHBJRB-ZETCQYMHSA-N 0 3 296.304 1.553 20 5 CDBDHN CN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000886005684 811340175 /nfs/dbraw/zinc/34/01/75/811340175.db2.gz HXJBABWGMKPVPL-CYBMUJFWSA-N 0 3 276.340 1.658 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782632863 811344196 /nfs/dbraw/zinc/34/41/96/811344196.db2.gz LXZILBGCRXRJAZ-SMDDNHRTSA-N 0 3 278.308 1.288 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CC(=O)N(C)C1 ZINC000873036613 811826339 /nfs/dbraw/zinc/82/63/39/811826339.db2.gz VEAVPBFIZSMAHC-LLVKDONJSA-N 0 3 277.324 1.532 20 5 CDBDHN CN(CCO)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000884824307 811871233 /nfs/dbraw/zinc/87/12/33/811871233.db2.gz VMEURVXTCAKSNV-UHFFFAOYSA-N 0 3 273.720 1.584 20 5 CDBDHN CC[C@@H](C)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886236346 811906039 /nfs/dbraw/zinc/90/60/39/811906039.db2.gz FHLMRTFISFEJMS-GFCCVEGCSA-N 0 3 278.356 1.906 20 5 CDBDHN CCN1C[C@@H](NCc2c(C)ccc([N+](=O)[O-])c2C)CC1=O ZINC000873131879 812037747 /nfs/dbraw/zinc/03/77/47/812037747.db2.gz YJOOBQIREOLOIJ-LBPRGKRZSA-N 0 3 291.351 1.922 20 5 CDBDHN CC(COC(=O)c1cncn1-c1ccc(F)cc1)[N+](=O)[O-] ZINC000813111625 812310205 /nfs/dbraw/zinc/31/02/05/812310205.db2.gz JAELTXXWUJZAMF-SECBINFHSA-N 0 3 293.254 1.833 20 5 CDBDHN O=[N+]([O-])c1c(NC[C@H]2CSCCN2)nc2ccccn21 ZINC000882728874 812838973 /nfs/dbraw/zinc/83/89/73/812838973.db2.gz KXAPYDRNFNIXQP-VIFPVBQESA-N 0 3 293.352 1.359 20 5 CDBDHN CC(COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[N+](=O)[O-] ZINC000860777361 813561600 /nfs/dbraw/zinc/56/16/00/813561600.db2.gz OEXMMCRAKIVMOC-OXHMUOHRSA-N 0 3 285.296 1.317 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000856485194 814662021 /nfs/dbraw/zinc/66/20/21/814662021.db2.gz MFNGMBPBGDOEKX-LBPRGKRZSA-N 0 3 295.314 1.804 20 5 CDBDHN Cc1noc(CONC(=N)COC(C)(C)C)c1[N+](=O)[O-] ZINC000853688011 816760139 /nfs/dbraw/zinc/76/01/39/816760139.db2.gz BYBITXCRMUOMMI-UHFFFAOYSA-N 0 3 286.288 1.705 20 5 CDBDHN C[C@H](NC(=O)[C@H](N)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000312443677 816826708 /nfs/dbraw/zinc/82/67/08/816826708.db2.gz WCJSFNZHEXTVIQ-TVQRCGJNSA-N 0 3 277.324 1.899 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H](CO)[C@H](CO)C1 ZINC000877763608 817155279 /nfs/dbraw/zinc/15/52/79/817155279.db2.gz DIGLVVXOOSVJLQ-BETUJISGSA-N 0 3 294.351 1.244 20 5 CDBDHN C[C@H](NC/C=C\CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506826 817262679 /nfs/dbraw/zinc/26/26/79/817262679.db2.gz CGQGHSMSZGSHGI-XADBCAIWSA-N 0 3 251.286 1.376 20 5 CDBDHN CC(=O)N1C[C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000821323061 817821468 /nfs/dbraw/zinc/82/14/68/817821468.db2.gz PXDFVDJQAXOSDZ-OKILXGFUSA-N 0 3 289.335 1.505 20 5 CDBDHN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307195205 1167456345 /nfs/dbraw/zinc/45/63/45/1167456345.db2.gz MOSDHLRSAHENKE-SNVBAGLBSA-N 0 3 278.312 1.200 20 5 CDBDHN C/C=C(/C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125438139 895488302 /nfs/dbraw/zinc/48/83/02/895488302.db2.gz QENKFKYODUUXJN-JYOAFUTRSA-N 0 3 277.324 1.767 20 5 CDBDHN COC(=O)COc1c(C)cc(NC=N)cc1[N+](=O)[O-] ZINC001167871973 901533566 /nfs/dbraw/zinc/53/35/66/901533566.db2.gz YXCYERAPYOQTOG-UHFFFAOYSA-N 0 3 267.241 1.474 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ncccn3)CC2)C1 ZINC001169009394 927614947 /nfs/dbraw/zinc/61/49/47/927614947.db2.gz WBROZRMUIMATMQ-OLZOCXBDSA-N 0 3 291.355 1.044 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3ncccc3C2)C1 ZINC001169034529 927641195 /nfs/dbraw/zinc/64/11/95/927641195.db2.gz HKBXNNWRIFSLDO-AAEUAGOBSA-N 0 3 261.325 1.885 20 5 CDBDHN NCc1cnnn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001169312464 927918345 /nfs/dbraw/zinc/91/83/45/927918345.db2.gz ZUZHYSRXTDNJMZ-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN NCc1cn(-c2cc(Cl)cc([N+](=O)[O-])n2)cn1 ZINC001154906485 937602136 /nfs/dbraw/zinc/60/21/36/937602136.db2.gz GNHXWGNOFOBBAE-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN Cc1cc(CN)nn1-c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001156043810 938313457 /nfs/dbraw/zinc/31/34/57/938313457.db2.gz FWGMJOXXGGSWAR-UHFFFAOYSA-N 0 3 291.311 1.730 20 5 CDBDHN CN1CCC[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]21 ZINC001157259713 938470504 /nfs/dbraw/zinc/47/05/04/938470504.db2.gz FSDQAQRPNISPLK-CMPLNLGQSA-N 0 3 262.313 1.520 20 5 CDBDHN Cc1cc(CN)nn1-c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001163988994 939374273 /nfs/dbraw/zinc/37/42/73/939374273.db2.gz ZFTISOSBNFXTAY-UHFFFAOYSA-N 0 3 288.311 1.320 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1ccc2c([O-])coc2c1 ZINC001225340043 941845440 /nfs/dbraw/zinc/84/54/40/941845440.db2.gz AQFWIVKABMXTIW-JTQLQIEISA-N 0 3 250.318 1.735 20 5 CDBDHN CN1CCC(Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227104995 942132521 /nfs/dbraw/zinc/13/25/21/942132521.db2.gz GFRHVLATQFYRDZ-UHFFFAOYSA-N 0 3 282.256 1.371 20 5 CDBDHN Cc1cc(C)n(CCCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC001525759438 970983914 /nfs/dbraw/zinc/98/39/14/970983914.db2.gz NPECIJBOILXDAO-LLVKDONJSA-N 0 3 269.301 1.489 20 5 CDBDHN Cc1cnc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254565258 947527292 /nfs/dbraw/zinc/52/72/92/947527292.db2.gz CSTMCMLNSUQKDC-CYBMUJFWSA-N 0 3 284.319 1.950 20 5 CDBDHN Cc1cc(CN)nn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572453 947533282 /nfs/dbraw/zinc/53/32/82/947533282.db2.gz NVTAOKMICLRHJM-CQSZACIVSA-N 0 3 272.308 1.898 20 5 CDBDHN CC(C)CNC(=O)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576514 947535199 /nfs/dbraw/zinc/53/51/99/947535199.db2.gz WQHHNDRYRLHPIV-CYBMUJFWSA-N 0 3 291.351 1.424 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cnoc1)C2 ZINC001254585837 947539866 /nfs/dbraw/zinc/53/98/66/947539866.db2.gz XQIXOBKKQUKZJQ-GFCCVEGCSA-N 0 3 259.265 1.840 20 5 CDBDHN CN1CCC[C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000587973714 342487554 /nfs/dbraw/zinc/48/75/54/342487554.db2.gz WXLSANNRWJBTQA-SNVBAGLBSA-N 0 3 292.339 1.447 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000589102041 342497026 /nfs/dbraw/zinc/49/70/26/342497026.db2.gz UUPDPFNLAPHUSY-QMMMGPOBSA-N 0 3 273.720 1.583 20 5 CDBDHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000565215676 365605205 /nfs/dbraw/zinc/60/52/05/365605205.db2.gz MUHPAOKCWGRKPN-UWVGGRQHSA-N 0 3 265.313 1.688 20 5 CDBDHN C[C@H](C(=O)N1CCN2CC[C@H]1C2)c1cccc([N+](=O)[O-])c1 ZINC000597709105 539088291 /nfs/dbraw/zinc/08/82/91/539088291.db2.gz URJZQUFVECFQFV-FZMZJTMJSA-N 0 3 289.335 1.615 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201686 342879870 /nfs/dbraw/zinc/87/98/70/342879870.db2.gz PGFQPJJAORTTFO-WDEREUQCSA-N 0 3 293.323 1.935 20 5 CDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609383443 342264738 /nfs/dbraw/zinc/26/47/38/342264738.db2.gz NZQYLVNJAQMSRG-ZDUSSCGKSA-N 0 3 289.335 1.809 20 5 CDBDHN CN(C)CCN(Cc1ccco1)c1ncc([N+](=O)[O-])cn1 ZINC000273144389 192056336 /nfs/dbraw/zinc/05/63/36/192056336.db2.gz FTXSJBZLYLMWAO-UHFFFAOYSA-N 0 3 291.311 1.546 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)CO ZINC000595011620 342990311 /nfs/dbraw/zinc/99/03/11/342990311.db2.gz CHFCCCHAFQFWHE-IUCAKERBSA-N 0 3 254.286 1.635 20 5 CDBDHN COc1cccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595260519 343014383 /nfs/dbraw/zinc/01/43/83/343014383.db2.gz ANZKMFOAYZMRRI-NXEZZACHSA-N 0 3 297.286 1.115 20 5 CDBDHN C[C@@H](CO)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000595674539 343128963 /nfs/dbraw/zinc/12/89/63/343128963.db2.gz LERDUMWFLUYKEZ-AAEUAGOBSA-N 0 3 282.344 1.274 20 5 CDBDHN CN(C)CCN(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000080684884 342359141 /nfs/dbraw/zinc/35/91/41/342359141.db2.gz CLLQRXYGKFJKGX-UHFFFAOYSA-N 0 3 269.330 1.302 20 5 CDBDHN CC(C)[N@H+](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596109788 343229913 /nfs/dbraw/zinc/22/99/13/343229913.db2.gz JRMPDLRCSRVKST-UHFFFAOYSA-N 0 3 254.290 1.448 20 5 CDBDHN CC(C)[N@@H+](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596109788 343229915 /nfs/dbraw/zinc/22/99/15/343229915.db2.gz JRMPDLRCSRVKST-UHFFFAOYSA-N 0 3 254.290 1.448 20 5 CDBDHN CCC[N@H+](C)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596143858 343242455 /nfs/dbraw/zinc/24/24/55/343242455.db2.gz WKFGQCZQQJRZOS-NSHDSACASA-N 0 3 294.355 1.864 20 5 CDBDHN CCC[N@@H+](C)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596143858 343242456 /nfs/dbraw/zinc/24/24/56/343242456.db2.gz WKFGQCZQQJRZOS-NSHDSACASA-N 0 3 294.355 1.864 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000596448116 343324014 /nfs/dbraw/zinc/32/40/14/343324014.db2.gz VFLODRFLOUWZHM-JTQLQIEISA-N 0 3 294.355 1.536 20 5 CDBDHN Cn1ccnc1[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000535316699 282250922 /nfs/dbraw/zinc/25/09/22/282250922.db2.gz RGYAEWIIWBTPHB-LLVKDONJSA-N 0 3 290.327 1.014 20 5 CDBDHN CCc1nn(C)c(N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000092830494 342419432 /nfs/dbraw/zinc/41/94/32/342419432.db2.gz HCNFOQNVSXUFQP-MNOVXSKESA-N 0 3 293.371 1.564 20 5 CDBDHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000597714848 343608684 /nfs/dbraw/zinc/60/86/84/343608684.db2.gz KFYYXGIXNPCYCW-CQSZACIVSA-N 0 3 293.323 1.746 20 5 CDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000598261684 343743870 /nfs/dbraw/zinc/74/38/70/343743870.db2.gz SQIHMJXDWNZITK-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598644837 343854935 /nfs/dbraw/zinc/85/49/35/343854935.db2.gz AQMURWWMHJIWRR-OLZOCXBDSA-N 0 3 294.351 1.924 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1[C@@H](C)O ZINC000602775615 344577994 /nfs/dbraw/zinc/57/79/94/344577994.db2.gz KIBCSMAJADFHHF-ZYHUDNBSSA-N 0 3 282.344 1.335 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@H](C)[C@@H]1C ZINC000602795311 344586733 /nfs/dbraw/zinc/58/67/33/344586733.db2.gz AIBMAMAPOXRDCQ-MNOVXSKESA-N 0 3 281.360 1.124 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCNC(C)(C)c1cnn(C)c1 ZINC000602809879 344602396 /nfs/dbraw/zinc/60/23/96/344602396.db2.gz JDXBFRSUMMQGPS-UHFFFAOYSA-N 0 3 292.343 1.358 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343516067 362491071 /nfs/dbraw/zinc/49/10/71/362491071.db2.gz KNIUTDNPKHPKBK-DGCLKSJQSA-N 0 3 291.351 1.736 20 5 CDBDHN CC[C@]1(O)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602983348 344675287 /nfs/dbraw/zinc/67/52/87/344675287.db2.gz IPQIKKJFISSDLQ-ZDUSSCGKSA-N 0 3 282.344 1.337 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C1CC1)C1(CO)CCC1 ZINC000602838700 344620862 /nfs/dbraw/zinc/62/08/62/344620862.db2.gz BDZFTDUBYNSKGP-UHFFFAOYSA-N 0 3 294.355 1.479 20 5 CDBDHN CC[C@H](N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603202586 344734409 /nfs/dbraw/zinc/73/44/09/344734409.db2.gz KYZPSHIVPXCGLR-JTQLQIEISA-N 0 3 279.275 1.784 20 5 CDBDHN COc1cc([N+](=O)[O-])cn(CCN2CCC(C)CC2)c1=O ZINC000603358298 344782778 /nfs/dbraw/zinc/78/27/78/344782778.db2.gz HVEVZOPIYOZWHJ-UHFFFAOYSA-N 0 3 295.339 1.497 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000537610116 282374536 /nfs/dbraw/zinc/37/45/36/282374536.db2.gz DPTUMYVCPHMXLB-GWCFXTLKSA-N 0 3 292.339 1.100 20 5 CDBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293452417 362553431 /nfs/dbraw/zinc/55/34/31/362553431.db2.gz PLMITYXUUKURKA-JTQLQIEISA-N 0 3 268.313 1.806 20 5 CDBDHN COC[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000265776498 362602332 /nfs/dbraw/zinc/60/23/32/362602332.db2.gz JQNTUCVWOAMMFE-LBPRGKRZSA-N 0 3 280.324 1.942 20 5 CDBDHN CC(C)N(C)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000049401758 345989458 /nfs/dbraw/zinc/98/94/58/345989458.db2.gz GALMADGXSCRAML-UHFFFAOYSA-N 0 3 265.313 1.551 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000088138760 346012153 /nfs/dbraw/zinc/01/21/53/346012153.db2.gz NPYGQUHYTPQPRT-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CN(CCNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000063116644 347463915 /nfs/dbraw/zinc/46/39/15/347463915.db2.gz LSQMHPSRTYBGIK-UHFFFAOYSA-N 0 3 269.326 1.480 20 5 CDBDHN CO[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273421780 192145458 /nfs/dbraw/zinc/14/54/58/192145458.db2.gz ZAMKFAZQBRJVNL-RYUDHWBXSA-N 0 3 296.323 1.055 20 5 CDBDHN COCCN(C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000041423034 348707114 /nfs/dbraw/zinc/70/71/14/348707114.db2.gz ITWYBFXGDCBIIV-UHFFFAOYSA-N 0 3 295.339 1.293 20 5 CDBDHN CN(CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000067701854 349033971 /nfs/dbraw/zinc/03/39/71/349033971.db2.gz LMIYRPSPYFDRJZ-VMPITWQZSA-N 0 3 289.335 1.818 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000109849875 186277249 /nfs/dbraw/zinc/27/72/49/186277249.db2.gz IKRZLUYVIJZYGJ-SECBINFHSA-N 0 3 297.742 1.930 20 5 CDBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080388845 351064306 /nfs/dbraw/zinc/06/43/06/351064306.db2.gz SVSPOFYMLPOBCI-UHFFFAOYSA-N 0 3 251.286 1.228 20 5 CDBDHN C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000278623637 358475402 /nfs/dbraw/zinc/47/54/02/358475402.db2.gz CJQWVKXCZAWWOX-MJVIPROJSA-N 0 3 280.324 1.785 20 5 CDBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCN(C)CC1 ZINC000157269093 188307330 /nfs/dbraw/zinc/30/73/30/188307330.db2.gz PQZLQLVDIUCGKF-UHFFFAOYSA-N 0 3 292.339 1.343 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000295235280 199416461 /nfs/dbraw/zinc/41/64/61/199416461.db2.gz SFJYEGQOHMCMIA-SNVBAGLBSA-N 0 3 277.324 1.394 20 5 CDBDHN CC(C)(CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000308637729 356330002 /nfs/dbraw/zinc/33/00/02/356330002.db2.gz BIABRUHAZRWCFJ-UHFFFAOYSA-N 0 3 293.367 1.795 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])cn1 ZINC000273637834 192240292 /nfs/dbraw/zinc/24/02/92/192240292.db2.gz RLDSCKADRWKGKA-SNVBAGLBSA-N 0 3 265.317 1.163 20 5 CDBDHN C[C@@H]1NCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000379501978 357167956 /nfs/dbraw/zinc/16/79/56/357167956.db2.gz XDFYYPHTWIGBMQ-XPOJSHTGSA-N 0 3 289.335 1.817 20 5 CDBDHN C[S@@](=O)C1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000380260797 357433099 /nfs/dbraw/zinc/43/30/99/357433099.db2.gz UYEQQEPKJRBEGT-GOSISDBHSA-N 0 3 268.338 1.596 20 5 CDBDHN C[C@@H](O)CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361016506 357773676 /nfs/dbraw/zinc/77/36/76/357773676.db2.gz IMULDOJRGPWTPR-JPVGGKMYSA-N 0 3 250.298 1.921 20 5 CDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408122511 358164341 /nfs/dbraw/zinc/16/43/41/358164341.db2.gz XWUFSEWGOHXAAA-ONGXEEELSA-N 0 3 293.327 1.017 20 5 CDBDHN CCN(CCn1cc([N+](=O)[O-])cn1)C[C@@H](C)OC ZINC000361572437 358325704 /nfs/dbraw/zinc/32/57/04/358325704.db2.gz DLESSXPVVRRSGJ-SNVBAGLBSA-N 0 3 256.306 1.148 20 5 CDBDHN Cc1nc(N[C@H]2CN(C3CC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297332688 200152263 /nfs/dbraw/zinc/15/22/63/200152263.db2.gz AHUZFPIITIZRAM-KCJUWKMLSA-N 0 3 277.328 1.588 20 5 CDBDHN COc1ccc(OCCN(CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000173525588 237346356 /nfs/dbraw/zinc/34/63/56/237346356.db2.gz IAVVYNNDYRUPCX-UHFFFAOYSA-N 0 3 296.323 1.439 20 5 CDBDHN COc1cc(C[NH2+]CCC[C@@H](C)CO)c([N+](=O)[O-])cc1[O-] ZINC000270238909 359935950 /nfs/dbraw/zinc/93/59/50/359935950.db2.gz CEZAQMBAGSPVFU-SNVBAGLBSA-N 0 3 298.339 1.807 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)c1 ZINC000176388134 360266429 /nfs/dbraw/zinc/26/64/29/360266429.db2.gz WZPOKPBBWFALEM-UHFFFAOYSA-N 0 3 265.313 1.537 20 5 CDBDHN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000177870897 189075115 /nfs/dbraw/zinc/07/51/15/189075115.db2.gz HDCCITJMKFEXKL-NXEZZACHSA-N 0 3 277.324 1.924 20 5 CDBDHN Cc1ccc(NC(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000348171647 360555038 /nfs/dbraw/zinc/55/50/38/360555038.db2.gz SQJXRICUABBBNE-SNVBAGLBSA-N 0 3 280.328 1.975 20 5 CDBDHN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000136048821 360675362 /nfs/dbraw/zinc/67/53/62/360675362.db2.gz IJDDNTZBVCXJJE-GHMZBOCLSA-N 0 3 277.324 1.346 20 5 CDBDHN C[C@]1(CO)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000545398693 364073667 /nfs/dbraw/zinc/07/36/67/364073667.db2.gz ZFTVGOWAKNPZAO-CYBMUJFWSA-N 0 3 250.298 1.942 20 5 CDBDHN C[C@@]1(CO)CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000546104637 365203951 /nfs/dbraw/zinc/20/39/51/365203951.db2.gz MFJHBHRLOZWIER-AWEZNQCLSA-N 0 3 280.324 1.820 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN(CCO)C2CCC2)cc1 ZINC000275791070 193128393 /nfs/dbraw/zinc/12/83/93/193128393.db2.gz DSQHDJZLVACGBY-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN CC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270944240 366947522 /nfs/dbraw/zinc/94/75/22/366947522.db2.gz RXUNTRXKNSYZPN-DDTOSNHZSA-N 0 3 280.324 1.331 20 5 CDBDHN Cc1nc(N2CC[C@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272258578 367570339 /nfs/dbraw/zinc/57/03/39/367570339.db2.gz ZPZYGOKGKHWGQD-DGCLKSJQSA-N 0 3 276.340 1.829 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C)C ZINC000298364629 373514267 /nfs/dbraw/zinc/51/42/67/373514267.db2.gz RCYRFAOHNAPWIG-MRVPVSSYSA-N 0 3 296.283 1.183 20 5 CDBDHN CCN(CCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000266581976 374086066 /nfs/dbraw/zinc/08/60/66/374086066.db2.gz RLCDAVWRQBHYBR-UHFFFAOYSA-N 0 3 268.313 1.678 20 5 CDBDHN CO[C@H](CN)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423729776 374394556 /nfs/dbraw/zinc/39/45/56/374394556.db2.gz VVGGETPNQVVJTO-CYBMUJFWSA-N 0 3 293.323 1.060 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CO)[C@@H]2CCCO2)cc1 ZINC000447906417 374722022 /nfs/dbraw/zinc/72/20/22/374722022.db2.gz OSFNCOQZYDNFHF-KGLIPLIRSA-N 0 3 296.323 1.103 20 5 CDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(C2CC2)C1 ZINC000331408768 374950659 /nfs/dbraw/zinc/95/06/59/374950659.db2.gz QWYKQXNTIARGEE-LBPRGKRZSA-N 0 3 289.335 1.490 20 5 CDBDHN CN(CCCCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279760052 374957829 /nfs/dbraw/zinc/95/78/29/374957829.db2.gz RISNFFVCYKATMP-AWEZNQCLSA-N 0 3 282.340 1.723 20 5 CDBDHN CSC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282567703 375094851 /nfs/dbraw/zinc/09/48/51/375094851.db2.gz ZFSPFYYOFIUGRE-CYBMUJFWSA-N 0 3 284.381 1.793 20 5 CDBDHN COCCOCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283693807 375121894 /nfs/dbraw/zinc/12/18/94/375121894.db2.gz AOASMUXRUUWVBX-SNVBAGLBSA-N 0 3 283.328 1.491 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351744732 375325043 /nfs/dbraw/zinc/32/50/43/375325043.db2.gz WWUDYSAXJKXWSE-QMMMGPOBSA-N 0 3 284.291 1.806 20 5 CDBDHN C[C@@H]1CN(C)[C@@H](C)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000351938039 375342972 /nfs/dbraw/zinc/34/29/72/375342972.db2.gz WTNIJYUSUPFNAK-QWHCGFSZSA-N 0 3 293.367 1.998 20 5 CDBDHN COC[C@H](O)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000304253176 375419451 /nfs/dbraw/zinc/41/94/51/375419451.db2.gz YKTYIZCEAZZMFZ-GFCCVEGCSA-N 0 3 282.340 1.815 20 5 CDBDHN CCN1CC[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493331041 375443508 /nfs/dbraw/zinc/44/35/08/375443508.db2.gz FZYBADACXRTDNA-FWWRYZNZSA-N 0 3 289.335 1.818 20 5 CDBDHN CCOC[C@@H](O)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344818116 375526889 /nfs/dbraw/zinc/52/68/89/375526889.db2.gz FCPQSPJMOPEZMB-BLMSOEDDSA-N 0 3 294.351 1.985 20 5 CDBDHN CC(COC(=O)c1ccc(N2CCOC2=O)cc1)[N+](=O)[O-] ZINC000496002573 375701325 /nfs/dbraw/zinc/70/13/25/375701325.db2.gz QNKALMIVLVPQEM-SECBINFHSA-N 0 3 294.263 1.465 20 5 CDBDHN O=[N+]([O-])c1ccc(CCNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000134081756 375902765 /nfs/dbraw/zinc/90/27/65/375902765.db2.gz HLKLAMIKXJCZQR-ZDUSSCGKSA-N 0 3 298.364 1.304 20 5 CDBDHN Cc1c([C@@H](C)NC[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000358224652 375957502 /nfs/dbraw/zinc/95/75/02/375957502.db2.gz RDQGSJODOQMZHM-VXGBXAGGSA-N 0 3 280.324 1.969 20 5 CDBDHN COc1cc(C[NH2+]C[C@@](C)(O)C(C)C)c([N+](=O)[O-])cc1[O-] ZINC000171842607 377095851 /nfs/dbraw/zinc/09/58/51/377095851.db2.gz FBVMUEPSCWGKBJ-CQSZACIVSA-N 0 3 298.339 1.806 20 5 CDBDHN C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000294295247 377393644 /nfs/dbraw/zinc/39/36/44/377393644.db2.gz NAOAHADTSKUEOK-HONMWMINSA-N 0 3 280.324 1.785 20 5 CDBDHN CCOC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173439339 378399316 /nfs/dbraw/zinc/39/93/16/378399316.db2.gz BVXIWJNCPLVTRT-GXFFZTMASA-N 0 3 268.313 1.643 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3ncc[nH]3)CC2)c1 ZINC000266908665 378604493 /nfs/dbraw/zinc/60/44/93/378604493.db2.gz CITDMONDHQYQRM-UHFFFAOYSA-N 0 3 290.327 1.394 20 5 CDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CO)C1 ZINC000266919989 378673022 /nfs/dbraw/zinc/67/30/22/378673022.db2.gz LPHYXYGFJLRAPX-GHMZBOCLSA-N 0 3 250.298 1.970 20 5 CDBDHN CO[C@]1(C)C[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882568 379605768 /nfs/dbraw/zinc/60/57/68/379605768.db2.gz LOTYAADTCWECRP-GXTWGEPZSA-N 0 3 296.371 1.927 20 5 CDBDHN CN(C)CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000281003572 195065568 /nfs/dbraw/zinc/06/55/68/195065568.db2.gz DLNGFIRBNMTJDA-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN CN(C)C/C=C/C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000492303476 253194222 /nfs/dbraw/zinc/19/42/22/253194222.db2.gz GHUMQAVRLXOPGQ-ONEGZZNKSA-N 0 3 289.295 1.527 20 5 CDBDHN CSCCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000281393952 195223903 /nfs/dbraw/zinc/22/39/03/195223903.db2.gz NCCHESYGEWZRJZ-UHFFFAOYSA-N 0 3 258.347 1.476 20 5 CDBDHN CO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000281632139 195315715 /nfs/dbraw/zinc/31/57/15/195315715.db2.gz IJMISLUKHYVSLH-MNOVXSKESA-N 0 3 268.317 1.291 20 5 CDBDHN C[C@H]1CNCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000262052293 390495731 /nfs/dbraw/zinc/49/57/31/390495731.db2.gz VCKYJYFPTAQPRV-ZETCQYMHSA-N 0 3 279.325 1.398 20 5 CDBDHN C[C@H]1CN(c2ncccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295014485 391360472 /nfs/dbraw/zinc/36/04/72/391360472.db2.gz UEEJXNWJBZZUNQ-LLVKDONJSA-N 0 3 276.340 1.910 20 5 CDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CCN(C2CCC2)C1 ZINC000292155018 391529910 /nfs/dbraw/zinc/52/99/10/391529910.db2.gz CODRCVOXRFGJFN-LLVKDONJSA-N 0 3 291.355 1.695 20 5 CDBDHN CO[C@@H](C)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248419334 391626204 /nfs/dbraw/zinc/62/62/04/391626204.db2.gz LACBIKVMHQCCDF-WDEREUQCSA-N 0 3 280.328 1.511 20 5 CDBDHN CN(C)C1CN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000293089511 391638694 /nfs/dbraw/zinc/63/86/94/391638694.db2.gz OKHSPYCTQZBBRV-UHFFFAOYSA-N 0 3 255.705 1.998 20 5 CDBDHN CC[C@]1(CO)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189662441 391783537 /nfs/dbraw/zinc/78/35/37/391783537.db2.gz WERJJTJXAQOFBQ-LSDHHAIUSA-N 0 3 294.351 1.865 20 5 CDBDHN CC(C)(N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269096004 132111087 /nfs/dbraw/zinc/11/10/87/132111087.db2.gz MGRIUGSCQLHIJZ-UHFFFAOYSA-N 0 3 271.704 1.602 20 5 CDBDHN Cc1cnc(N(C)CCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000274424100 393111954 /nfs/dbraw/zinc/11/19/54/393111954.db2.gz COQCJWOIUXHGDC-UHFFFAOYSA-N 0 3 264.329 1.829 20 5 CDBDHN CN(C)C1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275376426 393113026 /nfs/dbraw/zinc/11/30/26/393113026.db2.gz OKKCWZWGECRDCP-UHFFFAOYSA-N 0 3 262.313 1.313 20 5 CDBDHN CCC1(C[NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])COC1 ZINC000449600211 393135714 /nfs/dbraw/zinc/13/57/14/393135714.db2.gz NQFOMWRICNUAFY-UHFFFAOYSA-N 0 3 296.323 1.825 20 5 CDBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000278750856 393143312 /nfs/dbraw/zinc/14/33/12/393143312.db2.gz WKPIKRUXJYWXHY-KGLIPLIRSA-N 0 3 280.324 1.878 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000061014377 146880832 /nfs/dbraw/zinc/88/08/32/146880832.db2.gz YZMKQLOZMNQXNU-UHFFFAOYSA-N 0 3 263.297 1.211 20 5 CDBDHN COc1cc(C[NH2+]C2CCC(O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000101588622 147137315 /nfs/dbraw/zinc/13/73/15/147137315.db2.gz DSZJRJDOAJDCFN-UHFFFAOYSA-N 0 3 296.323 1.702 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCC[C@@H]1O ZINC000181469807 148202138 /nfs/dbraw/zinc/20/21/38/148202138.db2.gz RGZVTZWBUOMUCL-NEPJUHHUSA-N 0 3 282.344 1.274 20 5 CDBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000312618907 149235588 /nfs/dbraw/zinc/23/55/88/149235588.db2.gz WGPPVPNWAVBUGY-TVQRCGJNSA-N 0 3 284.287 1.363 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(N(C)CCN(C)C)c1 ZINC000267076418 286381881 /nfs/dbraw/zinc/38/18/81/286381881.db2.gz RNRHREKYKVTSGG-UHFFFAOYSA-N 0 3 253.302 1.601 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000349823227 154229922 /nfs/dbraw/zinc/22/99/22/154229922.db2.gz SVMPBWJDGGJEOO-UHFFFAOYSA-N 0 3 266.301 1.089 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)CCN1CCCC1 ZINC000359486105 158262440 /nfs/dbraw/zinc/26/24/40/158262440.db2.gz SFECZKFYKUFPDA-UHFFFAOYSA-N 0 3 281.360 1.652 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@H]3CCOC3)CC2)c1 ZINC000372349415 160109350 /nfs/dbraw/zinc/10/93/50/160109350.db2.gz PFGWUCVKDOMPNG-ZDUSSCGKSA-N 0 3 294.355 1.540 20 5 CDBDHN Cc1c(NC(=O)CNC(C)C)cccc1[N+](=O)[O-] ZINC000037386099 173168855 /nfs/dbraw/zinc/16/88/55/173168855.db2.gz LFRLDQZVYGLLPN-UHFFFAOYSA-N 0 3 251.286 1.840 20 5 CDBDHN CC(C)C[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040459102 174269265 /nfs/dbraw/zinc/26/92/65/174269265.db2.gz SOTUAAYDAUWHSE-NSHDSACASA-N 0 3 251.286 1.907 20 5 CDBDHN COC[C@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279081481 274051616 /nfs/dbraw/zinc/05/16/16/274051616.db2.gz MQIHZYWAIRYMJE-RISCZKNCSA-N 0 3 294.351 1.914 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000108337975 279305473 /nfs/dbraw/zinc/30/54/73/279305473.db2.gz OSTRVTAFUWCLPY-LLVKDONJSA-N 0 3 277.324 1.666 20 5 CDBDHN CN(C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193656226 280007708 /nfs/dbraw/zinc/00/77/08/280007708.db2.gz MSEKYEJDFAYWAI-UHFFFAOYSA-N 0 3 281.312 1.042 20 5 CDBDHN Cc1cc(N2C[C@@H](C)NC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000092027788 280582905 /nfs/dbraw/zinc/58/29/05/280582905.db2.gz JLLYEORFQJFMSZ-ZJUUUORDSA-N 0 3 250.302 1.485 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157336366 289283950 /nfs/dbraw/zinc/28/39/50/289283950.db2.gz OYWMPXWZFNVKRX-JTQLQIEISA-N 0 3 292.339 1.249 20 5 CDBDHN C[C@@H](NCCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000405370543 289446606 /nfs/dbraw/zinc/44/66/06/289446606.db2.gz PGXLUJDTESKVRO-LLVKDONJSA-N 0 3 277.324 1.868 20 5 CDBDHN CCC[C@@H](C)[C@@H](CO)NCc1c([N+](=O)[O-])ncn1C ZINC000574210236 294965688 /nfs/dbraw/zinc/96/56/88/294965688.db2.gz PLQCQIQCBTVTFL-NXEZZACHSA-N 0 3 270.333 1.215 20 5 CDBDHN CC(C)N1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579820619 324288013 /nfs/dbraw/zinc/28/80/13/324288013.db2.gz QMUKCZGVPDPICR-UHFFFAOYSA-N 0 3 264.329 1.910 20 5 CDBDHN CCC[C@](C)(N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943255 521275607 /nfs/dbraw/zinc/27/56/07/521275607.db2.gz UEZCUNIQFNHVLB-ZDUSSCGKSA-N 0 3 265.313 1.729 20 5 CDBDHN CCOC[C@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000069277492 520160390 /nfs/dbraw/zinc/16/03/90/520160390.db2.gz SZYYXRUIOMDKHM-GFCCVEGCSA-N 0 3 254.286 1.082 20 5 CDBDHN Cc1ccc(CN[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000037273378 524603389 /nfs/dbraw/zinc/60/33/89/524603389.db2.gz BGRITAQOOGHEOK-CYBMUJFWSA-N 0 3 293.367 1.714 20 5 CDBDHN COc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262842800 536725439 /nfs/dbraw/zinc/72/54/39/536725439.db2.gz XPABOMLDOZRYQJ-ZJUUUORDSA-N 0 3 293.323 1.426 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CCCCO2)c1 ZINC000749691700 576957986 /nfs/dbraw/zinc/95/79/86/576957986.db2.gz RCIQTXVISPCBOK-KBPBESRZSA-N 0 3 280.324 1.787 20 5 CDBDHN CC(COC(=O)[C@]1(C)OCCc2ccccc21)[N+](=O)[O-] ZINC000893046623 618098353 /nfs/dbraw/zinc/09/83/53/618098353.db2.gz DKLWTKRRORZZCC-QMTHXVAHSA-N 0 3 279.292 1.683 20 5 CDBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000893934239 618193368 /nfs/dbraw/zinc/19/33/68/618193368.db2.gz GGYZTUAISVYMBH-RNCFNFMXSA-N 0 3 265.288 1.874 20 5 CDBDHN COc1c(O)ccc(CNC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000892432392 618196135 /nfs/dbraw/zinc/19/61/35/618196135.db2.gz OHAHVBYNWZJSCM-SNVBAGLBSA-N 0 3 282.296 1.578 20 5 CDBDHN C[C@H](N[C@@H]1COC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905868296 627010975 /nfs/dbraw/zinc/01/09/75/627010975.db2.gz QYQDUSNKHMYLOG-JFGNBEQYSA-N 0 3 293.323 1.546 20 5 CDBDHN Cc1cnc(OC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000917148813 632164626 /nfs/dbraw/zinc/16/46/26/632164626.db2.gz FWNMWCCHPVGJHB-SNVBAGLBSA-N 0 3 251.286 1.771 20 5 CDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCNC[C@H]1F ZINC001580574550 1172471897 /nfs/dbraw/zinc/47/18/97/1172471897.db2.gz SEERHTDPAMREMS-GHMZBOCLSA-N 0 3 299.277 1.093 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCOC[C@H]1O ZINC000872140357 818281653 /nfs/dbraw/zinc/28/16/53/818281653.db2.gz KNSYGGFENPNLJL-OASPWFOLSA-N 0 3 296.323 1.404 20 5 CDBDHN CC(C)(CCC(=O)NCCN1CCCCC1)[N+](=O)[O-] ZINC000822518183 818560964 /nfs/dbraw/zinc/56/09/64/818560964.db2.gz IFAJEXQCPDQVTI-UHFFFAOYSA-N 0 3 271.361 1.424 20 5 CDBDHN CC(COC(=O)[C@H](C)OCc1ccc(F)cc1)[N+](=O)[O-] ZINC000835453395 820640049 /nfs/dbraw/zinc/64/00/49/820640049.db2.gz BUOPUXTYNZUHMW-ZJUUUORDSA-N 0 3 285.271 1.939 20 5 CDBDHN CC(COC(=O)c1cccc(-n2cccn2)c1)[N+](=O)[O-] ZINC000813103617 820856686 /nfs/dbraw/zinc/85/66/86/820856686.db2.gz RLTLXKXCBXAZOQ-SNVBAGLBSA-N 0 3 275.264 1.694 20 5 CDBDHN CCC[C@H](O)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1C ZINC000873130980 821050246 /nfs/dbraw/zinc/05/02/46/821050246.db2.gz NEFYZLSWJCXZTI-OCCSQVGLSA-N 0 3 282.340 1.515 20 5 CDBDHN CCN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000796316660 821204614 /nfs/dbraw/zinc/20/46/14/821204614.db2.gz NUNIAIPEVZWOBU-IUODEOHRSA-N 0 3 293.367 1.654 20 5 CDBDHN CC(C)CNC(=O)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676133 1167010295 /nfs/dbraw/zinc/01/02/95/1167010295.db2.gz HFYLQXFGUFLSHG-UHFFFAOYSA-N 0 3 279.340 1.499 20 5 CDBDHN C[C@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000699772557 914245298 /nfs/dbraw/zinc/24/52/98/914245298.db2.gz DOFRFDCEMHLFPR-GZMMTYOYSA-N 0 3 254.261 1.858 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3ccncc3C2)C1 ZINC001169037989 927646789 /nfs/dbraw/zinc/64/67/89/927646789.db2.gz UUOUXVYFWJIMBA-FZMZJTMJSA-N 0 3 261.325 1.885 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3ccncc3C2)C1 ZINC001169037991 927647509 /nfs/dbraw/zinc/64/75/09/927647509.db2.gz UUOUXVYFWJIMBA-SMDDNHRTSA-N 0 3 261.325 1.885 20 5 CDBDHN CCN([C@@H](C)C(=O)OC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169054397 927673278 /nfs/dbraw/zinc/67/32/78/927673278.db2.gz LVWQDORIGFGKKC-DCAQKATOSA-N 0 3 258.318 1.315 20 5 CDBDHN O=C(CC1CC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122533260 937940079 /nfs/dbraw/zinc/94/00/79/937940079.db2.gz XKCINCKRCOJYJW-UHFFFAOYSA-N 0 3 277.324 1.601 20 5 CDBDHN COc1nc(N[C@@]2(C)CCCN(C)C2)ccc1[N+](=O)[O-] ZINC001162340520 939029333 /nfs/dbraw/zinc/02/93/33/939029333.db2.gz DDHTXGQIRLBDRW-ZDUSSCGKSA-N 0 3 280.328 1.895 20 5 CDBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1nccc1CN ZINC001162597373 939098836 /nfs/dbraw/zinc/09/88/36/939098836.db2.gz MHDGEFDFJBGQNN-UHFFFAOYSA-N 0 3 290.279 1.334 20 5 CDBDHN CN(C)C1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001163940886 939358756 /nfs/dbraw/zinc/35/87/56/939358756.db2.gz YULKDMXVJFPAAQ-UHFFFAOYSA-N 0 3 299.334 1.802 20 5 CDBDHN CN(C)C1(C)CN(c2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001165116507 939512123 /nfs/dbraw/zinc/51/21/23/939512123.db2.gz FHWPRWKTMKMMSW-UHFFFAOYSA-N 0 3 287.323 1.678 20 5 CDBDHN COC(=O)c1c(CO[C@@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC001223293402 941667734 /nfs/dbraw/zinc/66/77/34/941667734.db2.gz OAYJDEFKAPWICT-LLVKDONJSA-N 0 3 294.307 1.602 20 5 CDBDHN CCN1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226173714 941963107 /nfs/dbraw/zinc/96/31/07/941963107.db2.gz VFHBZIWGTVUVTR-NSHDSACASA-N 0 3 293.323 1.557 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](n1cnc3c1CNCC3)C2 ZINC001254594978 947545975 /nfs/dbraw/zinc/54/59/75/947545975.db2.gz ULJHDXPZGYSRQY-ZDUSSCGKSA-N 0 3 284.319 1.777 20 5 CDBDHN CCN1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597328 947547382 /nfs/dbraw/zinc/54/73/82/947547382.db2.gz HKZDUJMSRWWUJQ-HNNXBMFYSA-N 0 3 275.352 1.700 20 5 CDBDHN CN(C)C(=O)OCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC001321288663 959700007 /nfs/dbraw/zinc/70/00/07/959700007.db2.gz RIAOKDCLWHZRPA-UHFFFAOYSA-N 0 3 295.339 1.767 20 5 CDBDHN Cc1cc(NC(=O)[C@H](C)NC2CC2)cc([N+](=O)[O-])c1 ZINC001343777900 964136972 /nfs/dbraw/zinc/13/69/72/964136972.db2.gz UUMXFTAVFMLKSB-VIFPVBQESA-N 0 3 263.297 1.982 20 5 CDBDHN Cc1cccc2nc(C(=O)OCC(C)[N+](=O)[O-])cn21 ZINC001344449800 964314107 /nfs/dbraw/zinc/31/41/07/964314107.db2.gz ZGWJTAJSUNXWNI-VIFPVBQESA-N 0 3 263.253 1.465 20 5 CDBDHN CCN1CCN(c2cc(OC)c([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001158562954 1163214365 /nfs/dbraw/zinc/21/43/65/1163214365.db2.gz OZUKYIHRICMRIW-UHFFFAOYSA-N 0 3 294.355 1.919 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@]2(CCN(C)C2)C1 ZINC000589879256 342516068 /nfs/dbraw/zinc/51/60/68/342516068.db2.gz YNNUHZITNPDJOL-CQSZACIVSA-N 0 3 293.371 1.652 20 5 CDBDHN Cc1cc(NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199790 343979746 /nfs/dbraw/zinc/97/97/46/343979746.db2.gz QFKGVUURKMZFMQ-LBPRGKRZSA-N 0 3 265.313 1.382 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1COCC[C@H]1O ZINC000601306402 342551300 /nfs/dbraw/zinc/55/13/00/342551300.db2.gz IAAQAWPIBXTCHN-LERXQTSPSA-N 0 3 280.324 1.704 20 5 CDBDHN C[C@@H]1CCCN(CCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590572004 342577066 /nfs/dbraw/zinc/57/70/66/342577066.db2.gz IJNUNUAMWGLNOG-SNVBAGLBSA-N 0 3 279.344 1.138 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](O)C(C)(C)C1 ZINC000312860292 342145642 /nfs/dbraw/zinc/14/56/42/342145642.db2.gz QQSRTPDWEAULPP-LLVKDONJSA-N 0 3 282.344 1.193 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1C[C@H](C)O ZINC000312781124 342139250 /nfs/dbraw/zinc/13/92/50/342139250.db2.gz FWBNOEITDNEYHG-JQWIXIFHSA-N 0 3 282.344 1.335 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CCN1 ZINC000592246373 342681056 /nfs/dbraw/zinc/68/10/56/342681056.db2.gz KSEMZECYSIWHPI-SNVBAGLBSA-N 0 3 280.328 1.003 20 5 CDBDHN CO[C@H]1COC[C@@H]1N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290049112 361985302 /nfs/dbraw/zinc/98/53/02/361985302.db2.gz DYGCUCJWQJRBHM-WHOFXGATSA-N 0 3 294.351 1.919 20 5 CDBDHN C[C@@H]1C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000402036771 349729901 /nfs/dbraw/zinc/72/99/01/349729901.db2.gz KEYXKKCJEFPBDS-MNOVXSKESA-N 0 3 266.297 1.741 20 5 CDBDHN Cn1ccnc1[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000535316700 282251097 /nfs/dbraw/zinc/25/10/97/282251097.db2.gz RGYAEWIIWBTPHB-NSHDSACASA-N 0 3 290.327 1.014 20 5 CDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000139669905 342432763 /nfs/dbraw/zinc/43/27/63/342432763.db2.gz XVUUQJRHYANLMW-LLVKDONJSA-N 0 3 290.323 1.953 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(CF)CC1 ZINC000295077571 199333888 /nfs/dbraw/zinc/33/38/88/199333888.db2.gz DOXXIMWOJJJTJG-UHFFFAOYSA-N 0 3 283.303 1.438 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCN1 ZINC000598571159 343832335 /nfs/dbraw/zinc/83/23/35/343832335.db2.gz HBENVKKAKFCVGL-JTQLQIEISA-N 0 3 283.353 1.726 20 5 CDBDHN CN(CCNCc1ccccc1[N+](=O)[O-])CC(F)F ZINC000599023030 343941409 /nfs/dbraw/zinc/94/14/09/343941409.db2.gz QAGZTMLUUBHYGY-UHFFFAOYSA-N 0 3 273.283 1.881 20 5 CDBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)CN1 ZINC000598914502 343919643 /nfs/dbraw/zinc/91/96/43/343919643.db2.gz GOSYOYNETMJIPS-RKDXNWHRSA-N 0 3 296.302 1.948 20 5 CDBDHN CCN[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602441251 344418406 /nfs/dbraw/zinc/41/84/06/344418406.db2.gz VMTAUMWDZHJYDR-SECBINFHSA-N 0 3 251.286 1.209 20 5 CDBDHN C[C@@H](CF)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602660911 344533511 /nfs/dbraw/zinc/53/35/11/344533511.db2.gz AVOGMCGGCWYPSH-JTQLQIEISA-N 0 3 282.319 1.906 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603247049 344750879 /nfs/dbraw/zinc/75/08/79/344750879.db2.gz ITMYENSSTGEWEC-LLVKDONJSA-N 0 3 297.265 1.923 20 5 CDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000604467856 344893407 /nfs/dbraw/zinc/89/34/07/344893407.db2.gz FBTBTQSHTGZAPM-JTQLQIEISA-N 0 3 280.328 1.479 20 5 CDBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000604467857 344893556 /nfs/dbraw/zinc/89/35/56/344893556.db2.gz FBTBTQSHTGZAPM-SNVBAGLBSA-N 0 3 280.328 1.479 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000537610119 282374399 /nfs/dbraw/zinc/37/43/99/282374399.db2.gz DPTUMYVCPHMXLB-ZWNOBZJWSA-N 0 3 292.339 1.100 20 5 CDBDHN C[C@H](C(=O)NCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000617690001 345913287 /nfs/dbraw/zinc/91/32/87/345913287.db2.gz FXLVYAZLJCEBIX-LBPRGKRZSA-N 0 3 291.351 1.910 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(CC3CC3)C2)nc1 ZINC000612784448 347282686 /nfs/dbraw/zinc/28/26/86/347282686.db2.gz MDXVYTNVUWKEMC-JTQLQIEISA-N 0 3 263.301 1.281 20 5 CDBDHN Cc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000086467273 179296849 /nfs/dbraw/zinc/29/68/49/179296849.db2.gz SAHGLKALOOKZTP-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000090794953 348157059 /nfs/dbraw/zinc/15/70/59/348157059.db2.gz DNLUGODZACHQSO-DTWKUNHWSA-N 0 3 253.306 1.223 20 5 CDBDHN COc1cc(CNC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1[O-] ZINC001579153229 1172108390 /nfs/dbraw/zinc/10/83/90/1172108390.db2.gz UJANBXHFJWVESG-LLVKDONJSA-N 0 3 295.339 1.541 20 5 CDBDHN O=C1C[C@@]2(CN1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000072829824 349135266 /nfs/dbraw/zinc/13/52/66/349135266.db2.gz IASZMGLACKKETP-OAHLLOKOSA-N 0 3 289.335 1.697 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCN(C)C1 ZINC000091549310 180188705 /nfs/dbraw/zinc/18/87/05/180188705.db2.gz MIHKEHIWUWHUCK-JTQLQIEISA-N 0 3 267.333 1.483 20 5 CDBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000110992295 186340183 /nfs/dbraw/zinc/34/01/83/186340183.db2.gz YUFVXNOWRIAOAV-JTQLQIEISA-N 0 3 281.312 1.792 20 5 CDBDHN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000122358847 187028701 /nfs/dbraw/zinc/02/87/01/187028701.db2.gz QHNJWGCKACOQPX-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000122358847 187028702 /nfs/dbraw/zinc/02/87/02/187028702.db2.gz QHNJWGCKACOQPX-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN COc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000136482255 363111217 /nfs/dbraw/zinc/11/12/17/363111217.db2.gz CAHFSJBHZYURFI-JTQLQIEISA-N 0 3 281.312 1.915 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000411981069 363392385 /nfs/dbraw/zinc/39/23/85/363392385.db2.gz IJAYEVSXNFKMCA-QWHCGFSZSA-N 0 3 280.324 1.472 20 5 CDBDHN CN1CC=C(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000271814673 191343259 /nfs/dbraw/zinc/34/32/59/191343259.db2.gz FPCIVANHRVBHCJ-UHFFFAOYSA-N 0 3 289.335 1.515 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CC1(CO)COC1 ZINC000558739413 356042739 /nfs/dbraw/zinc/04/27/39/356042739.db2.gz IORLPCZJQWONQZ-UHFFFAOYSA-N 0 3 280.324 1.078 20 5 CDBDHN Cc1ccc(NC(=O)[C@@H](N)CC(F)F)cc1[N+](=O)[O-] ZINC000336814015 356272143 /nfs/dbraw/zinc/27/21/43/356272143.db2.gz WDWCFCKAHJNZRS-QMMMGPOBSA-N 0 3 273.239 1.824 20 5 CDBDHN CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866329 357111888 /nfs/dbraw/zinc/11/18/88/357111888.db2.gz RHQKPMHUIIVXKU-SNVBAGLBSA-N 0 3 250.302 1.886 20 5 CDBDHN Cc1c(CN(CCO)CCCO)cccc1[N+](=O)[O-] ZINC000264641450 357579615 /nfs/dbraw/zinc/57/96/15/357579615.db2.gz VKUKFPLKHYGKDH-UHFFFAOYSA-N 0 3 268.313 1.080 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)[C@@H]2CCOC2)c(F)c1 ZINC000360763377 357683604 /nfs/dbraw/zinc/68/36/04/357683604.db2.gz JVEABCRBXUKZFS-VXGBXAGGSA-N 0 3 298.314 1.469 20 5 CDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287094979 358096138 /nfs/dbraw/zinc/09/61/38/358096138.db2.gz LCLQMWPWTPFCDK-PWSUYJOCSA-N 0 3 292.339 1.622 20 5 CDBDHN CCN(C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264933041 358779392 /nfs/dbraw/zinc/77/93/92/358779392.db2.gz SYKMQGRFBHMKJV-UHFFFAOYSA-N 0 3 281.312 1.042 20 5 CDBDHN Cc1ccc(C(=O)NCCOCCN(C)C)cc1[N+](=O)[O-] ZINC000539748429 359029656 /nfs/dbraw/zinc/02/96/56/359029656.db2.gz MCLOUPZXJXQJEG-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN CC(C)[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015911 359275823 /nfs/dbraw/zinc/27/58/23/359275823.db2.gz YAJCCNCJVPJWHY-LLVKDONJSA-N 0 3 251.286 1.194 20 5 CDBDHN CCN(CCC(=O)OC)Cc1ccc([N+](=O)[O-])cc1 ZINC000050053720 359281300 /nfs/dbraw/zinc/28/13/00/359281300.db2.gz WHCYOLDIQGBANJ-UHFFFAOYSA-N 0 3 266.297 1.980 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054150130 359544685 /nfs/dbraw/zinc/54/46/85/359544685.db2.gz NHJIPQJDRHWKTP-LLVKDONJSA-N 0 3 295.314 1.948 20 5 CDBDHN COC[C@]1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837959 200012152 /nfs/dbraw/zinc/01/21/52/200012152.db2.gz SOECYUQTLYMMEH-LSDHHAIUSA-N 0 3 294.351 1.987 20 5 CDBDHN CN(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCSC1 ZINC000267343895 359976329 /nfs/dbraw/zinc/97/63/29/359976329.db2.gz TYDIMQPYZGDASK-GFCCVEGCSA-N 0 3 299.352 1.355 20 5 CDBDHN CCc1nn(C)c(N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000575155311 360971728 /nfs/dbraw/zinc/97/17/28/360971728.db2.gz ILSOLKSMEJJRCY-UWVGGRQHSA-N 0 3 293.371 1.928 20 5 CDBDHN COCCN(C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000171127073 376190193 /nfs/dbraw/zinc/19/01/93/376190193.db2.gz HMKKJDUAEISORH-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN CN1CC=C(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271987246 367046573 /nfs/dbraw/zinc/04/65/73/367046573.db2.gz REJHXNMTGCBXMW-UHFFFAOYSA-N 0 3 290.323 1.978 20 5 CDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000272185470 367292966 /nfs/dbraw/zinc/29/29/66/367292966.db2.gz MKNOXTBFJMRUTA-JTQLQIEISA-N 0 3 294.355 1.725 20 5 CDBDHN C[C@H]1C[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000090795053 368131459 /nfs/dbraw/zinc/13/14/59/368131459.db2.gz OGKMFMVZYHMRHL-ONGXEEELSA-N 0 3 292.339 1.588 20 5 CDBDHN CC(C)N(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000170695026 368548480 /nfs/dbraw/zinc/54/84/80/368548480.db2.gz WXRZIXXFOGRJPQ-UHFFFAOYSA-N 0 3 268.313 1.676 20 5 CDBDHN CC(C)(CNCc1csc([N+](=O)[O-])c1)N1CCOCC1 ZINC000037562550 369079040 /nfs/dbraw/zinc/07/90/40/369079040.db2.gz LMUXKTVPMSTKJB-UHFFFAOYSA-N 0 3 299.396 1.857 20 5 CDBDHN C[C@]1(F)CNCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420331883 244097266 /nfs/dbraw/zinc/09/72/66/244097266.db2.gz MRQDTLZLGZGJHS-AWEZNQCLSA-N 0 3 297.330 1.607 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000330894472 203363142 /nfs/dbraw/zinc/36/31/42/203363142.db2.gz FISFNFVPXZSOEA-YPMHNXCESA-N 0 3 291.351 1.736 20 5 CDBDHN CCCC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668517 369785409 /nfs/dbraw/zinc/78/54/09/369785409.db2.gz IMVIEVSBCZYVGJ-GFCCVEGCSA-N 0 3 265.313 1.729 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356434339 372828512 /nfs/dbraw/zinc/82/85/12/372828512.db2.gz WMWPTXCZXHMLPY-QWRGUYRKSA-N 0 3 294.355 1.346 20 5 CDBDHN Cc1ccnc(N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000301289463 373480196 /nfs/dbraw/zinc/48/01/96/373480196.db2.gz MZCTUNYJYBHUNL-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN CN1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269701473 373938672 /nfs/dbraw/zinc/93/86/72/373938672.db2.gz MENMHJLMHMXFGK-AWEZNQCLSA-N 0 3 279.340 1.266 20 5 CDBDHN CCCN(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534227 374274148 /nfs/dbraw/zinc/27/41/48/374274148.db2.gz HGHGOXFDSFUTTL-UHFFFAOYSA-N 0 3 268.313 1.678 20 5 CDBDHN CCOc1ccc(C(=O)NCCN(C)CC)cc1[N+](=O)[O-] ZINC000066959073 374376259 /nfs/dbraw/zinc/37/62/59/374376259.db2.gz KPFAPAPDBVOTAR-UHFFFAOYSA-N 0 3 295.339 1.675 20 5 CDBDHN C[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844150 246137575 /nfs/dbraw/zinc/13/75/75/246137575.db2.gz LNVKRKICJHPXSP-ZCFIWIBFSA-N 0 3 257.677 1.212 20 5 CDBDHN Cn1cc(CCNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000069786622 374615215 /nfs/dbraw/zinc/61/52/15/374615215.db2.gz WSPVRVRBPMHIDN-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN CC[C@H](NC[C@@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154341013 374697803 /nfs/dbraw/zinc/69/78/03/374697803.db2.gz VUKCWGFDSVDNPU-KGLIPLIRSA-N 0 3 281.356 1.558 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC2(N3CCOCC3)CC2)cc1 ZINC000277515762 374792329 /nfs/dbraw/zinc/79/23/29/374792329.db2.gz RSFLYENISUXYGN-UHFFFAOYSA-N 0 3 291.351 1.549 20 5 CDBDHN CN(C)C(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282562323 375093314 /nfs/dbraw/zinc/09/33/14/375093314.db2.gz YOFJBTJVGXCKAC-UHFFFAOYSA-N 0 3 279.340 1.547 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCN(C)C2)n1 ZINC000162599691 375390508 /nfs/dbraw/zinc/39/05/08/375390508.db2.gz TWACMDMGOGWCLY-SNVBAGLBSA-N 0 3 250.302 1.662 20 5 CDBDHN CCOC1(C)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000428726323 247356369 /nfs/dbraw/zinc/35/63/69/247356369.db2.gz DIIOAGTWIAHYCY-UHFFFAOYSA-N 0 3 282.344 1.682 20 5 CDBDHN C[C@@H](NCCN1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266863366 378074357 /nfs/dbraw/zinc/07/43/57/378074357.db2.gz LSMWYUAZLUDMPW-CHWSQXEVSA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@H](NC(=O)C(C)(C)N)c1cccc([N+](=O)[O-])c1 ZINC000040922812 378976286 /nfs/dbraw/zinc/97/62/86/378976286.db2.gz GBRHSVUGMYXEPX-QMMMGPOBSA-N 0 3 251.286 1.509 20 5 CDBDHN CC(=O)c1ccc(N2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000278830860 194174347 /nfs/dbraw/zinc/17/43/47/194174347.db2.gz UXRYHYKURDQVFP-BETUJISGSA-N 0 3 289.335 1.795 20 5 CDBDHN Cc1c(CNC(=O)/C=C/CN(C)C)cccc1[N+](=O)[O-] ZINC000493328233 253430309 /nfs/dbraw/zinc/43/03/09/253430309.db2.gz CENQTVDKFITWBC-VMPITWQZSA-N 0 3 277.324 1.637 20 5 CDBDHN CNC(=O)[C@@]1(C)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000281243047 195165607 /nfs/dbraw/zinc/16/56/07/195165607.db2.gz UQGKSCUXHITTGX-AWEZNQCLSA-N 0 3 277.324 1.553 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNCC1(O)CCC1 ZINC000127466878 390658545 /nfs/dbraw/zinc/65/85/45/390658545.db2.gz VFGLRSBCADGSIL-UHFFFAOYSA-N 0 3 266.297 1.608 20 5 CDBDHN C[C@@H]1C[C@H](O)CN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000412027799 390681907 /nfs/dbraw/zinc/68/19/07/390681907.db2.gz AEWKZHBEHMHDKY-YPMHNXCESA-N 0 3 280.324 1.676 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCC2(O)CCC2)c1 ZINC000283813645 195924608 /nfs/dbraw/zinc/92/46/08/195924608.db2.gz BVANTWSCRDCORT-UHFFFAOYSA-N 0 3 250.298 1.990 20 5 CDBDHN CCC[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262468225 391211151 /nfs/dbraw/zinc/21/11/51/391211151.db2.gz MVUGSFPRCPCBMI-JTQLQIEISA-N 0 3 263.297 1.611 20 5 CDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268508880 391336184 /nfs/dbraw/zinc/33/61/84/391336184.db2.gz RQLGQAJSFKRDBY-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN CC[C@@H](CO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000186520084 391322934 /nfs/dbraw/zinc/32/29/34/391322934.db2.gz LFFZEWYSKNUQGP-PZBABLGHSA-N 0 3 250.298 1.969 20 5 CDBDHN CN1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000521071608 391508114 /nfs/dbraw/zinc/50/81/14/391508114.db2.gz WYSHSHGUIHNZOH-LLVKDONJSA-N 0 3 275.308 1.436 20 5 CDBDHN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000237428576 131030252 /nfs/dbraw/zinc/03/02/52/131030252.db2.gz OGSYFCLPSJABMS-GHMZBOCLSA-N 0 3 293.323 1.182 20 5 CDBDHN COCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000263814178 131337599 /nfs/dbraw/zinc/33/75/99/131337599.db2.gz XRVBRZIZNWOLAS-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN C[C@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263953742 131368339 /nfs/dbraw/zinc/36/83/39/131368339.db2.gz KNHKVOKLORBKEG-SECBINFHSA-N 0 3 280.332 1.253 20 5 CDBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000549183204 392542139 /nfs/dbraw/zinc/54/21/39/392542139.db2.gz CSHNFYIZEMIYSW-SECBINFHSA-N 0 3 293.327 1.065 20 5 CDBDHN C[C@H]1[C@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000488803935 392727708 /nfs/dbraw/zinc/72/77/08/392727708.db2.gz ZGSRCYVWIQSKKE-RYUDHWBXSA-N 0 3 280.324 1.676 20 5 CDBDHN COc1ccc(CN(C[C@H](O)CO)C(C)C)cc1[N+](=O)[O-] ZINC000421004813 392925860 /nfs/dbraw/zinc/92/58/60/392925860.db2.gz UJFBLBLDXWRIED-LBPRGKRZSA-N 0 3 298.339 1.167 20 5 CDBDHN COc1ccc(CNC(=O)[C@H]2CCCCN2)cc1[N+](=O)[O-] ZINC000269054640 132104701 /nfs/dbraw/zinc/10/47/01/132104701.db2.gz VRAXGBZWOHTVDX-LLVKDONJSA-N 0 3 293.323 1.362 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCCN1 ZINC000429970533 393088738 /nfs/dbraw/zinc/08/87/38/393088738.db2.gz JUTKXYWZRMGIFR-LBPRGKRZSA-N 0 3 293.323 1.362 20 5 CDBDHN CC(C)[C@@H]1N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000431123641 393107978 /nfs/dbraw/zinc/10/79/78/393107978.db2.gz ZJXDYFABZCFQHZ-STQMWFEESA-N 0 3 296.371 1.519 20 5 CDBDHN COCC[C@@]1(NCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000447387169 393115383 /nfs/dbraw/zinc/11/53/83/393115383.db2.gz SZSVTIKBNWQPBP-CQSZACIVSA-N 0 3 280.324 1.880 20 5 CDBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000185435316 140039933 /nfs/dbraw/zinc/03/99/33/140039933.db2.gz UYVQLWWONVIFAN-JTQLQIEISA-N 0 3 295.343 1.312 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@H]3CCCO3)CC2)n1 ZINC000189206981 140110374 /nfs/dbraw/zinc/11/03/74/140110374.db2.gz CKTSKKWZSSGEET-CYBMUJFWSA-N 0 3 294.355 1.682 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252551795 140319477 /nfs/dbraw/zinc/31/94/77/140319477.db2.gz PYASEPOENMUAGQ-UONOGXRCSA-N 0 3 277.324 1.870 20 5 CDBDHN C[C@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759072 398133981 /nfs/dbraw/zinc/13/39/81/398133981.db2.gz KBPUEAUDWHSBTN-GVXVVHGQSA-N 0 3 291.355 1.551 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000061014375 146881437 /nfs/dbraw/zinc/88/14/37/146881437.db2.gz UCQMQQOLNMUYMV-UHFFFAOYSA-N 0 3 263.297 1.211 20 5 CDBDHN C[C@H](NC(=O)[C@@]1(F)CCNC1)c1cccc([N+](=O)[O-])c1 ZINC000178401328 148057974 /nfs/dbraw/zinc/05/79/74/148057974.db2.gz ZJNLKIMTVSURFU-TVQRCGJNSA-N 0 3 281.287 1.474 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@@H]1C ZINC000343069699 152020151 /nfs/dbraw/zinc/02/01/51/152020151.db2.gz ZYDQRUKXCRJRLX-QWRGUYRKSA-N 0 3 294.355 1.916 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000359839004 158394491 /nfs/dbraw/zinc/39/44/91/158394491.db2.gz XCZBFRAQXXVVTN-CQSZACIVSA-N 0 3 280.324 1.221 20 5 CDBDHN Cc1c(CN2C[C@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362090279 159067764 /nfs/dbraw/zinc/06/77/64/159067764.db2.gz MUOXSACJUTVWCO-GWCFXTLKSA-N 0 3 264.325 1.963 20 5 CDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(N)=O ZINC000284750728 196123335 /nfs/dbraw/zinc/12/33/35/196123335.db2.gz FHDFJILTZMPNCI-BXKDBHETSA-N 0 3 263.297 1.148 20 5 CDBDHN O=C(NCCN1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000034929639 171895821 /nfs/dbraw/zinc/89/58/21/171895821.db2.gz ZRZQZZGJUJPTSP-UHFFFAOYSA-N 0 3 278.312 1.812 20 5 CDBDHN CSCC[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000040458746 174268996 /nfs/dbraw/zinc/26/89/96/174268996.db2.gz RXPOOHRSNAWMAA-JTQLQIEISA-N 0 3 283.353 1.922 20 5 CDBDHN COC[C@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000280875399 274049286 /nfs/dbraw/zinc/04/92/86/274049286.db2.gz DCWFEWXRLYFVQM-FZMZJTMJSA-N 0 3 280.324 1.569 20 5 CDBDHN CC(C)(C)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000106444939 275526679 /nfs/dbraw/zinc/52/66/79/275526679.db2.gz QEOPUGHWNVLXED-LBPRGKRZSA-N 0 3 279.340 1.627 20 5 CDBDHN CCN1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000264661973 276165291 /nfs/dbraw/zinc/16/52/91/276165291.db2.gz RFSUYCFPKMEGST-UHFFFAOYSA-N 0 3 250.302 1.522 20 5 CDBDHN CN1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cn3)C2)C1 ZINC000292913301 277072940 /nfs/dbraw/zinc/07/29/40/277072940.db2.gz XSHBUQCHTUHWCR-CYBMUJFWSA-N 0 3 277.328 1.307 20 5 CDBDHN C[C@H](CN1CCCCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000029623927 279304024 /nfs/dbraw/zinc/30/40/24/279304024.db2.gz IHDXZSPOMBTKKW-SNVBAGLBSA-N 0 3 267.333 1.615 20 5 CDBDHN CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N(C)C ZINC000524418711 281110476 /nfs/dbraw/zinc/11/04/76/281110476.db2.gz ZRZHZDPBBZAKRB-LLVKDONJSA-N 0 3 296.371 1.639 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021068 281115008 /nfs/dbraw/zinc/11/50/08/281115008.db2.gz NKKJUPNKUXVSGY-ZYHUDNBSSA-N 0 3 294.355 1.346 20 5 CDBDHN COC[C@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532498946 281991585 /nfs/dbraw/zinc/99/15/85/281991585.db2.gz WBXVNNIPVRWVJS-SMDDNHRTSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000574179270 294960806 /nfs/dbraw/zinc/96/08/06/294960806.db2.gz DPFPMDFALWJGQQ-MNOVXSKESA-N 0 3 292.339 1.487 20 5 CDBDHN Cc1cnc(N2CC[C@@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272255904 302352743 /nfs/dbraw/zinc/35/27/43/302352743.db2.gz ZEWGPTDUEZJBEF-WCQYABFASA-N 0 3 276.340 1.829 20 5 CDBDHN CNc1ccc(C(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000397731991 323864953 /nfs/dbraw/zinc/86/49/53/323864953.db2.gz ANXOXFPGFWQOHN-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN O=C1CCCN1CCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000582671162 325022115 /nfs/dbraw/zinc/02/21/15/325022115.db2.gz IIOIUEZKAMUYLO-UTCJRWHESA-N 0 3 289.335 1.820 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000287455893 533731032 /nfs/dbraw/zinc/73/10/32/533731032.db2.gz XHDWYFJAVBEHCV-QWRGUYRKSA-N 0 3 294.355 1.905 20 5 CDBDHN CC(C)(CC(N)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000186214652 519201772 /nfs/dbraw/zinc/20/17/72/519201772.db2.gz HBCNFEVLVPFDJL-UHFFFAOYSA-N 0 3 251.286 1.338 20 5 CDBDHN C[C@@H]1C[C@@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000340935288 525281656 /nfs/dbraw/zinc/28/16/56/525281656.db2.gz WVUYNIGECCNQGX-ZYHUDNBSSA-N 0 3 266.297 1.429 20 5 CDBDHN CCN(CCNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000193856459 535741544 /nfs/dbraw/zinc/74/15/44/535741544.db2.gz KSDKRUQEGBAPHW-UHFFFAOYSA-N 0 3 256.331 1.948 20 5 CDBDHN Cc1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000731678826 575059365 /nfs/dbraw/zinc/05/93/65/575059365.db2.gz RBXWPUQZNZNDIG-CYBMUJFWSA-N 0 3 276.296 1.450 20 5 CDBDHN Cc1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000731678826 575059366 /nfs/dbraw/zinc/05/93/66/575059366.db2.gz RBXWPUQZNZNDIG-CYBMUJFWSA-N 0 3 276.296 1.450 20 5 CDBDHN CC(C)(C)CN(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750068388 576974857 /nfs/dbraw/zinc/97/48/57/576974857.db2.gz VKEDPKZBNHAKLG-CQSZACIVSA-N 0 3 296.367 1.969 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)N(C)CCO2)[N+](=O)[O-] ZINC000893044781 618093023 /nfs/dbraw/zinc/09/30/23/618093023.db2.gz NCDNWOZFLCXOQO-VIFPVBQESA-N 0 3 280.280 1.337 20 5 CDBDHN CCc1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000893046437 618093202 /nfs/dbraw/zinc/09/32/02/618093202.db2.gz BMTOFBRIZFAJRN-MRVPVSSYSA-N 0 3 281.312 1.407 20 5 CDBDHN Cc1sc(Cl)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000893045626 618093907 /nfs/dbraw/zinc/09/39/07/618093907.db2.gz ZBNKSHJNITXMSL-BYPYZUCNSA-N 0 3 264.690 1.927 20 5 CDBDHN COc1ccc(C2(CNCC[N+](=O)[O-])CCC2)cc1 ZINC000905209191 626692924 /nfs/dbraw/zinc/69/29/24/626692924.db2.gz PMFVJHFFJQROTB-UHFFFAOYSA-N 0 3 264.325 1.983 20 5 CDBDHN O=[N+]([O-])CCNC[C@@H]1CSCCN1Cc1ccccc1 ZINC000905234819 626716549 /nfs/dbraw/zinc/71/65/49/626716549.db2.gz WEIDFVPXMLZMFZ-CQSZACIVSA-N 0 3 295.408 1.470 20 5 CDBDHN COc1ccc(C[C@@H](C)NCC(C)=O)c([N+](=O)[O-])c1 ZINC001170308110 1162339993 /nfs/dbraw/zinc/33/99/93/1162339993.db2.gz KIOQBABTAPTTHD-SECBINFHSA-N 0 3 266.297 1.713 20 5 CDBDHN Nc1nc(N[C@H]2CNCc3ccsc32)ccc1[N+](=O)[O-] ZINC001155560142 1167231726 /nfs/dbraw/zinc/23/17/26/1167231726.db2.gz ABSKFLXRSAEVAK-QMMMGPOBSA-N 0 3 291.336 1.890 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCNC[C@H]1F ZINC001579734143 1172250579 /nfs/dbraw/zinc/25/05/79/1172250579.db2.gz PKSZMJLSBRPYAE-NEPJUHHUSA-N 0 3 281.287 1.333 20 5 CDBDHN COc1cc(N2CCN(CC(C)C)CC2)ncc1[N+](=O)[O-] ZINC001164654373 719332179 /nfs/dbraw/zinc/33/21/79/719332179.db2.gz OOAWMCHXWSTHMG-UHFFFAOYSA-N 0 3 294.355 1.776 20 5 CDBDHN Cc1nnc(-c2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)o1 ZINC000813106115 822701023 /nfs/dbraw/zinc/70/10/23/822701023.db2.gz YTPWYDQNRBHLRD-QMMMGPOBSA-N 0 3 291.263 1.867 20 5 CDBDHN CC(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813110232 823935666 /nfs/dbraw/zinc/93/56/66/823935666.db2.gz VGNBKVNSTXWTLX-IYNCYZAOSA-N 0 3 280.236 1.816 20 5 CDBDHN CC(COC(=O)c1cnc2n1[C@H](C)CCC2)[N+](=O)[O-] ZINC000845574739 824315010 /nfs/dbraw/zinc/31/50/10/824315010.db2.gz CTFSSROWLPBWAN-RKDXNWHRSA-N 0 3 267.285 1.602 20 5 CDBDHN CC(COC(=O)c1cccc2c1OCCCO2)[N+](=O)[O-] ZINC000845576987 824415504 /nfs/dbraw/zinc/41/55/04/824415504.db2.gz PLWSTYVZQJZKTL-VIFPVBQESA-N 0 3 281.264 1.670 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC(CO)(CO)CC2)cc1 ZINC000877798441 824442925 /nfs/dbraw/zinc/44/29/25/824442925.db2.gz RNECOEPHHYISJH-UHFFFAOYSA-N 0 3 294.351 1.204 20 5 CDBDHN Cc1ccc(Cn2cc([C@H](C)N)nn2)cc1[N+](=O)[O-] ZINC000714021694 824977733 /nfs/dbraw/zinc/97/77/33/824977733.db2.gz WDDUHPXHSYPPQF-VIFPVBQESA-N 0 3 261.285 1.563 20 5 CDBDHN CC(=O)Nc1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113627 825005224 /nfs/dbraw/zinc/00/52/24/825005224.db2.gz RWTDBQPHYMGLGM-SECBINFHSA-N 0 3 280.280 1.775 20 5 CDBDHN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000856795749 825078043 /nfs/dbraw/zinc/07/80/43/825078043.db2.gz IVKRKZQNOHWEDN-KYOSRNDESA-N 0 3 294.351 1.579 20 5 CDBDHN CC(COC(=O)c1ccc2[nH]c(=O)n(C)c2c1)[N+](=O)[O-] ZINC000813112270 825238839 /nfs/dbraw/zinc/23/88/39/825238839.db2.gz OULFSRSJTXMFPX-ZETCQYMHSA-N 0 3 279.252 1.101 20 5 CDBDHN CC(COC(=O)C[C@@H](C)c1cnn(C)c1)[N+](=O)[O-] ZINC000842363056 825356859 /nfs/dbraw/zinc/35/68/59/825356859.db2.gz WMOZPMYHQKVYJM-BDAKNGLRSA-N 0 3 255.274 1.122 20 5 CDBDHN CC(COC(=O)c1ccc2nsnc2c1)[N+](=O)[O-] ZINC000813115279 825513763 /nfs/dbraw/zinc/51/37/63/825513763.db2.gz OFHXKNJRHIEPBO-ZCFIWIBFSA-N 0 3 267.266 1.513 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H]2CCO)c1 ZINC000778267222 828817242 /nfs/dbraw/zinc/81/72/42/828817242.db2.gz CECLBYOSBOVYNC-OCCSQVGLSA-N 0 3 280.324 1.475 20 5 CDBDHN CC(C)CN(CCN(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823123586 826034389 /nfs/dbraw/zinc/03/43/89/826034389.db2.gz BUUWEPYVMVKLJA-UHFFFAOYSA-N 0 3 287.404 1.868 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000716783587 826175918 /nfs/dbraw/zinc/17/59/18/826175918.db2.gz VQGROUHNGWINMA-VIFPVBQESA-N 0 3 273.720 1.583 20 5 CDBDHN C[C@@H](N[C@H](CO)CC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620347 826275566 /nfs/dbraw/zinc/27/55/66/826275566.db2.gz OLXDNGUZMOIXRJ-APPZFPTMSA-N 0 3 289.282 1.844 20 5 CDBDHN CON(C)CCNCc1ccc([N+](=O)[O-])cc1C ZINC000883171592 826825785 /nfs/dbraw/zinc/82/57/85/826825785.db2.gz CSZGWTKLNYMFJU-UHFFFAOYSA-N 0 3 253.302 1.486 20 5 CDBDHN Cc1nnc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)o1 ZINC000813102087 827043512 /nfs/dbraw/zinc/04/35/12/827043512.db2.gz NSVZORVORHGQBZ-MRVPVSSYSA-N 0 3 291.263 1.867 20 5 CDBDHN CC(COC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813113491 827101573 /nfs/dbraw/zinc/10/15/73/827101573.db2.gz DXCGJQGLJHDLHW-SECBINFHSA-N 0 3 297.267 1.239 20 5 CDBDHN C[C@@H](NCCN1CCCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846206334 827418883 /nfs/dbraw/zinc/41/88/83/827418883.db2.gz PQDCHWCKLGGIFM-SNVBAGLBSA-N 0 3 292.339 1.450 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1COC[C@@H]1C ZINC000932493459 827573218 /nfs/dbraw/zinc/57/32/18/827573218.db2.gz GHZUWFOAAXQQCA-GWCFXTLKSA-N 0 3 293.323 1.466 20 5 CDBDHN CC(COC(=O)c1ccc2oc(=O)[nH]c2c1)[N+](=O)[O-] ZINC000813109267 827887463 /nfs/dbraw/zinc/88/74/63/827887463.db2.gz HOJYMLLASHSLGB-LURJTMIESA-N 0 3 266.209 1.355 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H](O)C1 ZINC001173223362 912309542 /nfs/dbraw/zinc/30/95/42/912309542.db2.gz ZMHFIDZPOKGFJE-RISCZKNCSA-N 0 3 280.324 1.219 20 5 CDBDHN Cc1ncc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)cn1 ZINC001168391330 911443408 /nfs/dbraw/zinc/44/34/08/911443408.db2.gz KQOCTHXNYJSOID-UHFFFAOYSA-N 0 3 285.307 1.909 20 5 CDBDHN C[C@@H]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011435 927617996 /nfs/dbraw/zinc/61/79/96/927617996.db2.gz KIFKDNOFAONIQB-IJLUTSLNSA-N 0 3 254.330 1.733 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC(c3cccnc3)C2)C1 ZINC001169040138 927652819 /nfs/dbraw/zinc/65/28/19/927652819.db2.gz YFPADRQLOGUODS-BXUZGUMPSA-N 0 3 261.325 1.926 20 5 CDBDHN C[C@@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)[C@H]1CNCCO1 ZINC001159501182 938736096 /nfs/dbraw/zinc/73/60/96/938736096.db2.gz YVUINHGMKKYXCI-VXNVDRBHSA-N 0 3 286.719 1.432 20 5 CDBDHN NCc1cn(-c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC001162302542 938975219 /nfs/dbraw/zinc/97/52/19/938975219.db2.gz VQOMOIGXEPITFP-UHFFFAOYSA-N 0 3 252.661 1.893 20 5 CDBDHN NCc1cn(-c2ccc3cnccc3c2[N+](=O)[O-])cn1 ZINC001162304490 938976419 /nfs/dbraw/zinc/97/64/19/938976419.db2.gz UGVIENHJJZIOJU-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CCOC(=O)c1cc(-n2nccc2CN)ccc1[N+](=O)[O-] ZINC001162597428 939099138 /nfs/dbraw/zinc/09/91/38/939099138.db2.gz PEOSWDLSEOHLMI-UHFFFAOYSA-N 0 3 290.279 1.416 20 5 CDBDHN Cc1nonc1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001164059385 939401956 /nfs/dbraw/zinc/40/19/56/939401956.db2.gz QLTSMDNNECJGNZ-UHFFFAOYSA-N 0 3 275.268 1.502 20 5 CDBDHN CN1CC[C@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222925304 941642500 /nfs/dbraw/zinc/64/25/00/941642500.db2.gz LBXZMEXQSGPYMH-JTQLQIEISA-N 0 3 277.280 1.957 20 5 CDBDHN CCN1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC001225449630 941862153 /nfs/dbraw/zinc/86/21/53/941862153.db2.gz XDHLWNMRQNPOGH-LLVKDONJSA-N 0 3 294.307 1.854 20 5 CDBDHN Cc1nc(N2[C@@H]3CC[C@H]2CCN(C)C3)ncc1[N+](=O)[O-] ZINC001262373042 946620553 /nfs/dbraw/zinc/62/05/53/946620553.db2.gz KOWNDKYTOWKRHP-WDEREUQCSA-N 0 3 277.328 1.366 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCCOCC1)C2 ZINC001254601120 947548758 /nfs/dbraw/zinc/54/87/58/947548758.db2.gz ZPKQEGHVXWUKQO-CQSZACIVSA-N 0 3 262.309 1.784 20 5 CDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc(C23CC(C2)CN3)n1 ZINC001247897916 948854225 /nfs/dbraw/zinc/85/42/25/948854225.db2.gz OMLQZQCCXMFNEA-UHFFFAOYSA-N 0 3 291.242 1.387 20 5 CDBDHN CC(C)(C)OC(=O)NC[C@@H](NCC[N+](=O)[O-])C1CC1 ZINC001334767951 959341345 /nfs/dbraw/zinc/34/13/45/959341345.db2.gz QGTBQPQEBADWPT-SNVBAGLBSA-N 0 3 273.333 1.156 20 5 CDBDHN CN1CCC(Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC000090504942 1174171194 /nfs/dbraw/zinc/17/11/94/1174171194.db2.gz KCZBOLQFLNRMNN-UHFFFAOYSA-N 0 3 281.268 1.976 20 5 CDBDHN CC1(C)CN[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000591669657 342641283 /nfs/dbraw/zinc/64/12/83/342641283.db2.gz UKORLGNNTBRBBW-GFCCVEGCSA-N 0 3 277.324 1.252 20 5 CDBDHN CCN(C)C[C@@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000311404062 342149567 /nfs/dbraw/zinc/14/95/67/342149567.db2.gz AQGNICILPIFWGV-LLVKDONJSA-N 0 3 268.313 1.595 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592242573 342680761 /nfs/dbraw/zinc/68/07/61/342680761.db2.gz VRCOTQMBSYTBQG-CQSZACIVSA-N 0 3 291.351 1.973 20 5 CDBDHN C[C@H](CCO)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000593109027 342769300 /nfs/dbraw/zinc/76/93/00/342769300.db2.gz GLXCQPINLIMHNZ-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN C[C@H](N[C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593718733 342828419 /nfs/dbraw/zinc/82/84/19/342828419.db2.gz QBZFESTWGYRGPA-ONGXEEELSA-N 0 3 256.277 1.966 20 5 CDBDHN Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000050225469 342285988 /nfs/dbraw/zinc/28/59/88/342285988.db2.gz BACUMCPFNQKBHV-NSHDSACASA-N 0 3 296.352 1.312 20 5 CDBDHN COC1(CNCc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000123184814 349760242 /nfs/dbraw/zinc/76/02/42/349760242.db2.gz UTAPZNABDGVCRN-UHFFFAOYSA-N 0 3 286.353 1.942 20 5 CDBDHN C[C@@H](O)CCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000075782620 342317365 /nfs/dbraw/zinc/31/73/65/342317365.db2.gz MZRVDHSXIFOWEX-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCc2cn[nH]c2C1 ZINC000619531778 349792937 /nfs/dbraw/zinc/79/29/37/349792937.db2.gz MBJUANZWGKSBOA-UHFFFAOYSA-N 0 3 288.307 1.885 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2C[C@@H]2C1 ZINC000595810896 343161273 /nfs/dbraw/zinc/16/12/73/343161273.db2.gz PKCVYLBMEXIOBZ-GHMZBOCLSA-N 0 3 263.297 1.098 20 5 CDBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)s1 ZINC000596085082 343220513 /nfs/dbraw/zinc/22/05/13/343220513.db2.gz ICGDMXXXDGCPSO-UHFFFAOYSA-N 0 3 285.369 1.915 20 5 CDBDHN CCC[N@@H+]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596090478 343233927 /nfs/dbraw/zinc/23/39/27/343233927.db2.gz VXFOJOJRHDOZOV-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN CCC[N@H+]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596090478 343233929 /nfs/dbraw/zinc/23/39/29/343233929.db2.gz VXFOJOJRHDOZOV-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN C[N@H+]1CC=C(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596185429 343251751 /nfs/dbraw/zinc/25/17/51/343251751.db2.gz LLRNOOUISFGSEA-UHFFFAOYSA-N 0 3 264.285 1.369 20 5 CDBDHN C[N@@H+]1CC=C(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596185429 343251753 /nfs/dbraw/zinc/25/17/53/343251753.db2.gz LLRNOOUISFGSEA-UHFFFAOYSA-N 0 3 264.285 1.369 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(N)=O)C1 ZINC000588977173 342446561 /nfs/dbraw/zinc/44/65/61/342446561.db2.gz GXKKUZKKAFQAKT-MNOVXSKESA-N 0 3 277.324 1.853 20 5 CDBDHN Cc1cc(C(=O)NCCN(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000139981020 342444527 /nfs/dbraw/zinc/44/45/27/342444527.db2.gz DWQNSCBPDKZWBC-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000341015433 365744322 /nfs/dbraw/zinc/74/43/22/365744322.db2.gz QRZZXBTYEQGOBX-DGCLKSJQSA-N 0 3 250.298 1.798 20 5 CDBDHN CC(C)Oc1nc(N2C[C@@H](C)N[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599110473 343960681 /nfs/dbraw/zinc/96/06/81/343960681.db2.gz SUHDPPWOUVVSDE-PHIMTYICSA-N 0 3 294.355 1.964 20 5 CDBDHN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCCNCC1 ZINC000210683118 344177658 /nfs/dbraw/zinc/17/76/58/344177658.db2.gz BUSBQDWCTMWHKL-SREVYHEPSA-N 0 3 275.308 1.430 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)N(C)C[C@H]1C ZINC000602801113 344590572 /nfs/dbraw/zinc/59/05/72/344590572.db2.gz ZUUADOHEEMDOPQ-WDEREUQCSA-N 0 3 281.360 1.124 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([C@@H](C)O)C1 ZINC000602798627 344589468 /nfs/dbraw/zinc/58/94/68/344589468.db2.gz QXSWDFSSAZWXAP-PWSUYJOCSA-N 0 3 282.344 1.193 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000603460920 344810978 /nfs/dbraw/zinc/81/09/78/344810978.db2.gz RGFOGZPCZYTTGN-UHFFFAOYSA-N 0 3 292.339 1.290 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344223494 362557549 /nfs/dbraw/zinc/55/75/49/362557549.db2.gz QMHNJWPGXQDILA-LLVKDONJSA-N 0 3 281.287 1.558 20 5 CDBDHN CC[C@@H](CN1CCCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000609839878 346005621 /nfs/dbraw/zinc/00/56/21/346005621.db2.gz FWLOQJYKQQEGOL-JTQLQIEISA-N 0 3 267.333 1.615 20 5 CDBDHN COC(=O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000610447432 346283978 /nfs/dbraw/zinc/28/39/78/346283978.db2.gz JITJVQADAKMQKP-LLVKDONJSA-N 0 3 296.327 1.209 20 5 CDBDHN CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCCN(C)C1 ZINC000266061600 362710863 /nfs/dbraw/zinc/71/08/63/362710863.db2.gz ZHPPTKCHPQLTNT-LLVKDONJSA-N 0 3 250.302 1.520 20 5 CDBDHN CN(C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413024120 362733844 /nfs/dbraw/zinc/73/38/44/362733844.db2.gz LTCXCIJIDMDTIQ-UHFFFAOYSA-N 0 3 278.234 1.982 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCOC1)CC2 ZINC000088606154 347234561 /nfs/dbraw/zinc/23/45/61/347234561.db2.gz LUXUCQDQVZTUTH-NSHDSACASA-N 0 3 262.309 1.989 20 5 CDBDHN COc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000086467868 179299103 /nfs/dbraw/zinc/29/91/03/179299103.db2.gz PQSMLUVVHGSMFN-VHSXEESVSA-N 0 3 293.323 1.426 20 5 CDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC000271281375 191049392 /nfs/dbraw/zinc/04/93/92/191049392.db2.gz CMWCDWJDISKRGE-NWDGAFQWSA-N 0 3 296.396 1.780 20 5 CDBDHN Cc1ccc(CNC[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000105471763 186058717 /nfs/dbraw/zinc/05/87/17/186058717.db2.gz LMGMTIWXPYXTLB-CYBMUJFWSA-N 0 3 279.340 1.323 20 5 CDBDHN CN(C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000207940455 350699372 /nfs/dbraw/zinc/69/93/72/350699372.db2.gz OUOWDKVVYFXSRB-YVMONPNESA-N 0 3 263.297 1.286 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236691011 363370543 /nfs/dbraw/zinc/37/05/43/363370543.db2.gz UXURNTQSCTYFRU-GFCCVEGCSA-N 0 3 294.355 1.496 20 5 CDBDHN CN(C)C(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000411939107 363382972 /nfs/dbraw/zinc/38/29/72/363382972.db2.gz NIZYRMVMDVYSRV-LBPRGKRZSA-N 0 3 277.324 1.505 20 5 CDBDHN Cc1ccc(CNCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000134515280 356332965 /nfs/dbraw/zinc/33/29/65/356332965.db2.gz UZAVLAMZPIZCMU-UHFFFAOYSA-N 0 3 250.298 1.908 20 5 CDBDHN CN(CCNc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000273583348 192216596 /nfs/dbraw/zinc/21/65/96/192216596.db2.gz GFFKINOVEDVRSA-UHFFFAOYSA-N 0 3 287.323 1.929 20 5 CDBDHN CCOc1cccc(NCCN(C)C)c1[N+](=O)[O-] ZINC000134900655 356453908 /nfs/dbraw/zinc/45/39/08/356453908.db2.gz ZRYXEYFGXURPIX-UHFFFAOYSA-N 0 3 253.302 1.967 20 5 CDBDHN CN(C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCSC1 ZINC000360327882 357070602 /nfs/dbraw/zinc/07/06/02/357070602.db2.gz CKZHGJWVUUDDSJ-GFCCVEGCSA-N 0 3 298.368 1.090 20 5 CDBDHN COc1cc(C[NH2+]CCC2CC(O)C2)c([N+](=O)[O-])cc1[O-] ZINC000432369448 357253374 /nfs/dbraw/zinc/25/33/74/357253374.db2.gz QEMCKKFMJNRUFV-UHFFFAOYSA-N 0 3 296.323 1.560 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C)c1 ZINC000283497821 357565679 /nfs/dbraw/zinc/56/56/79/357565679.db2.gz OQAFEZXDHCRXQD-JTQLQIEISA-N 0 3 295.339 1.673 20 5 CDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000287233308 358331268 /nfs/dbraw/zinc/33/12/68/358331268.db2.gz POKKXLJDLFMTHK-VIFPVBQESA-N 0 3 297.380 1.997 20 5 CDBDHN CSC[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000135449261 358754706 /nfs/dbraw/zinc/75/47/06/358754706.db2.gz ZHILFRRANTUHPZ-SNVBAGLBSA-N 0 3 270.358 1.619 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)c1ncccc1[N+](=O)[O-] ZINC000265218311 359003860 /nfs/dbraw/zinc/00/38/60/359003860.db2.gz NUMUHFQCNHGEAF-NSHDSACASA-N 0 3 264.329 1.768 20 5 CDBDHN CCOC(=O)CCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000338781134 359169309 /nfs/dbraw/zinc/16/93/09/359169309.db2.gz GWJMLFLWXCAILD-UHFFFAOYSA-N 0 3 296.323 1.859 20 5 CDBDHN CN(C)CCO[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342639541 359302724 /nfs/dbraw/zinc/30/27/24/359302724.db2.gz UHLMQILMKZPGCM-LLVKDONJSA-N 0 3 297.330 1.891 20 5 CDBDHN CC[C@H]1CN(CCNCc2ccccc2[N+](=O)[O-])CCO1 ZINC000487149694 359320145 /nfs/dbraw/zinc/32/01/45/359320145.db2.gz FZTJGABPAILJGK-AWEZNQCLSA-N 0 3 293.367 1.795 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015928 359561779 /nfs/dbraw/zinc/56/17/79/359561779.db2.gz QIAKHLVNQQATHA-JOYOIKCWSA-N 0 3 265.313 1.584 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])o1 ZINC000177762457 189068251 /nfs/dbraw/zinc/06/82/51/189068251.db2.gz OBVCVCNRMLEUKR-MNOVXSKESA-N 0 3 293.323 1.887 20 5 CDBDHN C[C@@]1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177970298 189082522 /nfs/dbraw/zinc/08/25/22/189082522.db2.gz FWZUCLZEDJEJBE-CYBMUJFWSA-N 0 3 250.298 1.594 20 5 CDBDHN CN(C)CCN(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000178075720 189089052 /nfs/dbraw/zinc/08/90/52/189089052.db2.gz FHRNOUZWRGKNAJ-UHFFFAOYSA-N 0 3 280.328 1.027 20 5 CDBDHN COC[C@H](CNCc1cccc([N+](=O)[O-])c1)OC ZINC000227708000 360688356 /nfs/dbraw/zinc/68/83/56/360688356.db2.gz BDOHSZRMXDJSBV-LBPRGKRZSA-N 0 3 254.286 1.346 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000345816314 364023582 /nfs/dbraw/zinc/02/35/82/364023582.db2.gz LFINIIAJXVJUKR-OLZOCXBDSA-N 0 3 291.351 1.908 20 5 CDBDHN CN(C)CCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268185576 364401963 /nfs/dbraw/zinc/40/19/63/364401963.db2.gz XVFHXRHQBAYCEX-UHFFFAOYSA-N 0 3 269.276 1.368 20 5 CDBDHN C[C@@H]1CCC[C@@H](CO)N1CCn1ccc([N+](=O)[O-])n1 ZINC000270507532 366892013 /nfs/dbraw/zinc/89/20/13/366892013.db2.gz RDQTXXRJTFZRPD-MNOVXSKESA-N 0 3 268.317 1.027 20 5 CDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000272437753 367732529 /nfs/dbraw/zinc/73/25/29/367732529.db2.gz IFVOUKAZDJMLSK-KOLCDFICSA-N 0 3 278.312 1.089 20 5 CDBDHN CCC[C@@H](NC[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154318968 368156121 /nfs/dbraw/zinc/15/61/21/368156121.db2.gz QNUSOKKMVAHSME-LSDHHAIUSA-N 0 3 295.383 1.948 20 5 CDBDHN COc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)ccc1[N+](=O)[O-] ZINC000368192043 371880055 /nfs/dbraw/zinc/88/00/55/371880055.db2.gz DPRXZHFZPWEYMA-UWVGGRQHSA-N 0 3 297.286 1.033 20 5 CDBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266434529 372783255 /nfs/dbraw/zinc/78/32/55/372783255.db2.gz LJOWWJFAKBODTM-CQSZACIVSA-N 0 3 290.323 1.284 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC(C3CC3)CC2)n1 ZINC000368333260 373307028 /nfs/dbraw/zinc/30/70/28/373307028.db2.gz SNTPGCKYUVPQOM-UHFFFAOYSA-N 0 3 264.329 1.913 20 5 CDBDHN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCCC2)C1 ZINC000171451152 373676924 /nfs/dbraw/zinc/67/69/24/373676924.db2.gz UIPUMTFZCYWBNH-AWEZNQCLSA-N 0 3 289.335 1.905 20 5 CDBDHN CCc1nn(C)c(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000091560451 374042262 /nfs/dbraw/zinc/04/22/62/374042262.db2.gz GPURNCNRJQSCLU-UHFFFAOYSA-N 0 3 281.360 1.789 20 5 CDBDHN C[C@H](NC(=O)N1CCCNCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418234029 374258769 /nfs/dbraw/zinc/25/87/69/374258769.db2.gz PNONJKWLGFGVSJ-NSHDSACASA-N 0 3 292.339 1.661 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000113246877 374247677 /nfs/dbraw/zinc/24/76/77/374247677.db2.gz PZYDOJUNHOZCGG-NSHDSACASA-N 0 3 292.339 1.343 20 5 CDBDHN N[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000422935087 374364469 /nfs/dbraw/zinc/36/44/69/374364469.db2.gz KNVMAKSFBQOUSU-ZDUSSCGKSA-N 0 3 292.339 1.250 20 5 CDBDHN CS(=O)(=O)CCCCNCc1cccc([N+](=O)[O-])c1 ZINC000424176512 246370465 /nfs/dbraw/zinc/37/04/65/246370465.db2.gz XXVBLFQHBZKJNY-UHFFFAOYSA-N 0 3 286.353 1.509 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCCN2CCCO)c1 ZINC000449385995 374805845 /nfs/dbraw/zinc/80/58/45/374805845.db2.gz HAMOWPCATMXQRQ-HNNXBMFYSA-N 0 3 293.367 1.531 20 5 CDBDHN Cc1c(CN(CCO)C2CC2)cccc1[N+](=O)[O-] ZINC000048065120 375268976 /nfs/dbraw/zinc/26/89/76/375268976.db2.gz PACMUYRXAQLDPD-UHFFFAOYSA-N 0 3 250.298 1.860 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC1(CO)COC1 ZINC000344804162 375454323 /nfs/dbraw/zinc/45/43/23/375454323.db2.gz CFHPGZZBKBKBCZ-LFYBBSHMSA-N 0 3 292.335 1.597 20 5 CDBDHN C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057700937 375562123 /nfs/dbraw/zinc/56/21/23/375562123.db2.gz LFHXABDKAHWRRJ-VIFPVBQESA-N 0 3 295.314 1.946 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCC[C@@H]1O ZINC000305810564 375659171 /nfs/dbraw/zinc/65/91/71/375659171.db2.gz LZFRCEMZGKYSLR-YPMHNXCESA-N 0 3 282.344 1.274 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](N2CCCC2)C1 ZINC000058920353 375839025 /nfs/dbraw/zinc/83/90/25/375839025.db2.gz HYTWVASIRRPZNO-NSHDSACASA-N 0 3 293.323 1.888 20 5 CDBDHN CNC(=O)C[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574926502 378781889 /nfs/dbraw/zinc/78/18/89/378781889.db2.gz FHZKATHEMDWWCW-BXKDBHETSA-N 0 3 277.324 1.696 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CCCO)c(F)c1 ZINC000450593449 251356810 /nfs/dbraw/zinc/35/68/10/251356810.db2.gz IMROFVBELMLHRV-LBPRGKRZSA-N 0 3 297.330 1.993 20 5 CDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000288579254 197118837 /nfs/dbraw/zinc/11/88/37/197118837.db2.gz XHSVRKREFDMEPK-UWVGGRQHSA-N 0 3 293.327 1.017 20 5 CDBDHN C[S@@](=O)C1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000282194291 195533681 /nfs/dbraw/zinc/53/36/81/195533681.db2.gz CEMHDGAOPBKWHA-GOSISDBHSA-N 0 3 268.338 1.596 20 5 CDBDHN Cc1cc(N2CCN(C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266451659 391010124 /nfs/dbraw/zinc/01/01/24/391010124.db2.gz XKHSZVZIRMUYSM-STQMWFEESA-N 0 3 293.367 1.795 20 5 CDBDHN O=[N+]([O-])c1cnc(NCCCN2CCC(O)CC2)c(F)c1 ZINC000413062268 391154121 /nfs/dbraw/zinc/15/41/21/391154121.db2.gz BADJDUHZLCCIHK-UHFFFAOYSA-N 0 3 298.318 1.388 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CNCCO1 ZINC000415097920 391257631 /nfs/dbraw/zinc/25/76/31/391257631.db2.gz ULDLYTJFULGRAX-ZDUSSCGKSA-N 0 3 295.339 1.072 20 5 CDBDHN CCN1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000264624439 391283667 /nfs/dbraw/zinc/28/36/67/391283667.db2.gz JALSTSQAFRZLKJ-UHFFFAOYSA-N 0 3 295.368 1.836 20 5 CDBDHN C[C@@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CCCN1C ZINC000343451220 391633194 /nfs/dbraw/zinc/63/31/94/391633194.db2.gz FTZQHSRFCMGIGU-BDAKNGLRSA-N 0 3 253.306 1.223 20 5 CDBDHN C[C@H]1CCNC(=O)[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000193622603 391907882 /nfs/dbraw/zinc/90/78/82/391907882.db2.gz HCKAEFPJNNKAJV-GXFFZTMASA-N 0 3 277.324 1.252 20 5 CDBDHN NC(=O)CC1(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000421355150 392933458 /nfs/dbraw/zinc/93/34/58/392933458.db2.gz YNJSOGJJAYJHQP-UHFFFAOYSA-N 0 3 281.287 1.479 20 5 CDBDHN COCCN1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000268891122 132083882 /nfs/dbraw/zinc/08/38/82/132083882.db2.gz JJSWVHUURASZJY-TZMCWYRMSA-N 0 3 293.367 1.966 20 5 CDBDHN NC1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000269221204 132134754 /nfs/dbraw/zinc/13/47/54/132134754.db2.gz AYLBZTJWJYPPGP-UHFFFAOYSA-N 0 3 269.688 1.356 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343454306 152186492 /nfs/dbraw/zinc/18/64/92/152186492.db2.gz AHQUHPTWLXEPLJ-UHFFFAOYSA-N 0 3 266.301 1.091 20 5 CDBDHN CCCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000343999358 152384075 /nfs/dbraw/zinc/38/40/75/152384075.db2.gz SVRWFSIFLCSQSS-SECBINFHSA-N 0 3 270.358 1.760 20 5 CDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000359667951 158329072 /nfs/dbraw/zinc/32/90/72/158329072.db2.gz AXEKFSPSBKMKTP-ZDUSSCGKSA-N 0 3 268.313 1.158 20 5 CDBDHN O=C1C[C@H](NCc2cccc([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000376588524 160490213 /nfs/dbraw/zinc/49/02/13/160490213.db2.gz CRSWZDZYRAKSRS-UONOGXRCSA-N 0 3 289.335 1.838 20 5 CDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1 ZINC000086468166 296921788 /nfs/dbraw/zinc/92/17/88/296921788.db2.gz MIMCCLWJKDYJST-BDAKNGLRSA-N 0 3 281.287 1.556 20 5 CDBDHN CN(C)CCN(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000085362109 270229487 /nfs/dbraw/zinc/22/94/87/270229487.db2.gz GIYYFQKQMCPFAY-FNORWQNLSA-N 0 3 295.314 1.767 20 5 CDBDHN CN(C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000397766890 270350824 /nfs/dbraw/zinc/35/08/24/270350824.db2.gz KECZXKXSQBRVPB-UHFFFAOYSA-N 0 3 296.302 1.140 20 5 CDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286477452 274387534 /nfs/dbraw/zinc/38/75/34/274387534.db2.gz WHQNVIDVFNAYSU-NXEZZACHSA-N 0 3 292.343 1.030 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCC[C@H]2CN2CCCC2)nc1 ZINC000275084253 275040918 /nfs/dbraw/zinc/04/09/18/275040918.db2.gz ZFWQTYQUEQTJAB-NSHDSACASA-N 0 3 277.328 1.449 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)C2CCC2)cc1 ZINC000316585175 280630357 /nfs/dbraw/zinc/63/03/57/280630357.db2.gz NNKPUFGQDRUTTI-CYBMUJFWSA-N 0 3 250.298 1.845 20 5 CDBDHN Cc1ccnc(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000070495858 281470005 /nfs/dbraw/zinc/47/00/05/281470005.db2.gz MKOFIRXCRGASFE-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN C[C@@H]1CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562488173 290531660 /nfs/dbraw/zinc/53/16/60/290531660.db2.gz OTNPTFFCRBKHBL-ZWNOBZJWSA-N 0 3 298.364 1.757 20 5 CDBDHN CC(C)N(CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000055899742 519644910 /nfs/dbraw/zinc/64/49/10/519644910.db2.gz OJYWPWQPRUMCHQ-UHFFFAOYSA-N 0 3 295.339 1.559 20 5 CDBDHN CC(C)[C@@]1(CO)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368067825 519808825 /nfs/dbraw/zinc/80/88/25/519808825.db2.gz BGJRMAJAVXZEFS-ZDUSSCGKSA-N 0 3 282.344 1.132 20 5 CDBDHN CO[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363675371 523599022 /nfs/dbraw/zinc/59/90/22/523599022.db2.gz OESZYUVZYSVEPA-LLVKDONJSA-N 0 3 268.317 1.292 20 5 CDBDHN COCCCN(C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000178237875 536512111 /nfs/dbraw/zinc/51/21/11/536512111.db2.gz YTJDTAHCHSFQEM-UHFFFAOYSA-N 0 3 282.344 1.678 20 5 CDBDHN CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000263897596 535959664 /nfs/dbraw/zinc/95/96/64/535959664.db2.gz BHGGCKKHJKYKSQ-SECBINFHSA-N 0 3 267.285 1.354 20 5 CDBDHN CCOC1CC(N(C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000286709939 538435490 /nfs/dbraw/zinc/43/54/90/538435490.db2.gz FMTKBRRIYIYCBE-UHFFFAOYSA-N 0 3 295.339 1.256 20 5 CDBDHN CC(C)[C@@H](CN(C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000742075309 576580754 /nfs/dbraw/zinc/58/07/54/576580754.db2.gz UXJLOUXEEMZEKX-CQSZACIVSA-N 0 3 293.367 1.840 20 5 CDBDHN CCN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749694341 576958289 /nfs/dbraw/zinc/95/82/89/576958289.db2.gz VYDGFMHPHFPFGG-SWLSCSKDSA-N 0 3 293.367 1.654 20 5 CDBDHN CSc1nccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000893047208 618098575 /nfs/dbraw/zinc/09/85/75/618098575.db2.gz JWSIZPRSAZDGQK-LURJTMIESA-N 0 3 257.271 1.021 20 5 CDBDHN CC(COC(=O)C[C@@H]1CCC2(CCC2)CO1)[N+](=O)[O-] ZINC000893048276 618100578 /nfs/dbraw/zinc/10/05/78/618100578.db2.gz VIPCYJJOBHPVHJ-MNOVXSKESA-N 0 3 271.313 1.934 20 5 CDBDHN Cc1cnc(N2CC[C@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941782 618205526 /nfs/dbraw/zinc/20/55/26/618205526.db2.gz WJLWHXJKOVEHGG-CMPLNLGQSA-N 0 3 262.313 1.439 20 5 CDBDHN Cc1ccc([C@H](CNCC[N+](=O)[O-])N2CCOCC2)cc1 ZINC000899869787 622495701 /nfs/dbraw/zinc/49/57/01/622495701.db2.gz ACOLGXQQUVBSBE-HNNXBMFYSA-N 0 3 293.367 1.235 20 5 CDBDHN COCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000870376768 833065949 /nfs/dbraw/zinc/06/59/49/833065949.db2.gz MOQOOXRLYIYOJK-MRVPVSSYSA-N 0 3 271.244 1.794 20 5 CDBDHN COc1cc(N2CC(N(C)C)C2)c([N+](=O)[O-])cc1C ZINC000853460716 833060202 /nfs/dbraw/zinc/06/02/02/833060202.db2.gz PDOOPFKBFKTLMZ-UHFFFAOYSA-N 0 3 265.313 1.662 20 5 CDBDHN CCC[C@@H](O)[C@H](CO)NCc1cccc([N+](=O)[O-])c1C ZINC000873130978 833173487 /nfs/dbraw/zinc/17/34/87/833173487.db2.gz NEFYZLSWJCXZTI-GXTWGEPZSA-N 0 3 282.340 1.515 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC[C@H]3CO2)c(F)c1 ZINC000840250981 828865779 /nfs/dbraw/zinc/86/57/79/828865779.db2.gz GCZSUQOPPOBWCU-GXSJLCMTSA-N 0 3 296.302 1.404 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCN2CC[C@@H](O)C2)c1 ZINC000858297804 828925914 /nfs/dbraw/zinc/92/59/14/828925914.db2.gz ITBXFNVBDYAKFT-GFCCVEGCSA-N 0 3 299.758 1.404 20 5 CDBDHN COC(=O)c1cc(C)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000838963949 830344779 /nfs/dbraw/zinc/34/47/79/830344779.db2.gz FMRPBIPFGVNSKN-SECBINFHSA-N 0 3 281.264 1.604 20 5 CDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886300476 833803501 /nfs/dbraw/zinc/80/35/01/833803501.db2.gz ITQFZGZSCZTSIJ-KLBPJQLPSA-N 0 3 265.313 1.891 20 5 CDBDHN Cn1c(C(=O)OC[C@@H]2CCN2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736524 833850374 /nfs/dbraw/zinc/85/03/74/833850374.db2.gz AWXMXDOQTOXZTK-JTQLQIEISA-N 0 3 295.339 1.963 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000839412209 833851995 /nfs/dbraw/zinc/85/19/95/833851995.db2.gz PDNIZWBYDMLHCC-RNCFNFMXSA-N 0 3 293.298 1.510 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H](O)C2)cc1Cl ZINC000825256784 833864007 /nfs/dbraw/zinc/86/40/07/833864007.db2.gz GYQULQHLFZIMAY-DTORHVGOSA-N 0 3 256.689 1.861 20 5 CDBDHN CC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OC ZINC000035114962 833877346 /nfs/dbraw/zinc/87/73/46/833877346.db2.gz BUMZDYHGMFNPGI-JTQLQIEISA-N 0 3 254.286 1.464 20 5 CDBDHN CC(COC(=O)c1c(Cl)nc2ccccn21)[N+](=O)[O-] ZINC000813112367 832827872 /nfs/dbraw/zinc/82/78/72/832827872.db2.gz GBUOGDRCMXFKFQ-ZETCQYMHSA-N 0 3 283.671 1.810 20 5 CDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000813100204 832833962 /nfs/dbraw/zinc/83/39/62/832833962.db2.gz PDXXGKDJTPPGLL-QMMMGPOBSA-N 0 3 268.225 1.725 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@]12C[C@H]1COC2 ZINC000886201494 833545866 /nfs/dbraw/zinc/54/58/66/833545866.db2.gz HAEQSAHWPFBRJP-FLBZCCBISA-N 0 3 260.293 1.987 20 5 CDBDHN CC(COC(=O)C[C@@H]1COc2ccccc2O1)[N+](=O)[O-] ZINC000835457732 834419803 /nfs/dbraw/zinc/41/98/03/834419803.db2.gz ZXIVIJFDZDYUHQ-NXEZZACHSA-N 0 3 281.264 1.425 20 5 CDBDHN CC(COC(=O)c1ccc(Cn2ccnn2)cc1)[N+](=O)[O-] ZINC000860776104 834711041 /nfs/dbraw/zinc/71/10/41/834711041.db2.gz BMFWSEMBCHQFBC-JTQLQIEISA-N 0 3 290.279 1.148 20 5 CDBDHN Cc1cc2ncc(C(=O)OCC(C)[N+](=O)[O-])c(C)n2n1 ZINC000813102322 835371205 /nfs/dbraw/zinc/37/12/05/835371205.db2.gz PRDVGJQZPLIPQI-MRVPVSSYSA-N 0 3 278.268 1.168 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H](O)C1 ZINC001173223360 912308572 /nfs/dbraw/zinc/30/85/72/912308572.db2.gz ZMHFIDZPOKGFJE-FZMZJTMJSA-N 0 3 280.324 1.219 20 5 CDBDHN COc1ccc(CNC[C@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698678642 912694562 /nfs/dbraw/zinc/69/45/62/912694562.db2.gz UPTJBIHTQFLADL-LBPRGKRZSA-N 0 3 290.266 1.709 20 5 CDBDHN COc1ccc(-n2nc(CN)c3ccccc32)nc1[N+](=O)[O-] ZINC001167695180 898475088 /nfs/dbraw/zinc/47/50/88/898475088.db2.gz FMHXANAFMIZPPJ-UHFFFAOYSA-N 0 3 299.290 1.796 20 5 CDBDHN NCc1cnnn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904745 912037283 /nfs/dbraw/zinc/03/72/83/912037283.db2.gz AFVUVOOUOHSAIH-GFCCVEGCSA-N 0 3 287.323 1.765 20 5 CDBDHN O=C(CCC1CC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125019795 917885798 /nfs/dbraw/zinc/88/57/98/917885798.db2.gz NBGPDZJWQBDEML-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ncccc2F)C1 ZINC001168964762 927587775 /nfs/dbraw/zinc/58/77/75/927587775.db2.gz VYAGVOOSTCDXAT-UWVGGRQHSA-N 0 3 253.277 1.756 20 5 CDBDHN COC1C[C@@H]2COC[C@H](C1)N2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023904 927663547 /nfs/dbraw/zinc/66/35/47/927663547.db2.gz GLKDBPMTQWDTSI-IZXDZPFWSA-N 0 3 284.356 1.310 20 5 CDBDHN O=[N+]([O-])CCNC[C@]1(O)CCCc2ccccc21 ZINC001120489984 937803118 /nfs/dbraw/zinc/80/31/18/937803118.db2.gz ZTXAYGNQWXUJPH-CYBMUJFWSA-N 0 3 250.298 1.077 20 5 CDBDHN CSCC[C@@H](N)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122252350 937915757 /nfs/dbraw/zinc/91/57/57/937915757.db2.gz PXUPUPUJTWHDER-JOYOIKCWSA-N 0 3 297.380 1.852 20 5 CDBDHN CC(C)(F)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122510147 937938392 /nfs/dbraw/zinc/93/83/92/937938392.db2.gz IOGSINFIVQMPHV-UHFFFAOYSA-N 0 3 283.303 1.549 20 5 CDBDHN O=[N+]([O-])c1cc(N[C@H]2CN3CCC2CC3)cn2ccnc12 ZINC001163393007 939261154 /nfs/dbraw/zinc/26/11/54/939261154.db2.gz KUOZMVWGKYDOPT-LBPRGKRZSA-N 0 3 287.323 1.749 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1-n1cnc2c1CNCC2 ZINC001164309838 939451253 /nfs/dbraw/zinc/45/12/53/939451253.db2.gz FHGSCVSOZQDMRJ-UHFFFAOYSA-N 0 3 259.269 1.130 20 5 CDBDHN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CCN(C)C1 ZINC001230247141 942594314 /nfs/dbraw/zinc/59/43/14/942594314.db2.gz DQJOQFZVQYKTMV-NSHDSACASA-N 0 3 279.296 1.636 20 5 CDBDHN CN(CCCNC(=O)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231064314 942773019 /nfs/dbraw/zinc/77/30/19/942773019.db2.gz FEBIEQJSDZRFPC-UHFFFAOYSA-N 0 3 291.351 1.943 20 5 CDBDHN CC[C@H](N)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001342518456 963757533 /nfs/dbraw/zinc/75/75/33/963757533.db2.gz NBQZHIOOACJIEN-KWQFWETISA-N 0 3 251.286 1.509 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@@]2(C)CCOC2)c1[N+](=O)[O-] ZINC001342959228 963872096 /nfs/dbraw/zinc/87/20/96/963872096.db2.gz FHTBBCDDOLEAMA-CQSZACIVSA-N 0 3 296.323 1.825 20 5 CDBDHN CCCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC001346122697 964935713 /nfs/dbraw/zinc/93/57/13/964935713.db2.gz FLYRZTBKMBHVGZ-QMMMGPOBSA-N 0 3 255.274 1.424 20 5 CDBDHN Cc1cc(C)n2ncc(C(=O)OCC(C)[N+](=O)[O-])c2n1 ZINC001348208128 965875036 /nfs/dbraw/zinc/87/50/36/965875036.db2.gz KUEZDEXNPYNDAJ-VIFPVBQESA-N 0 3 278.268 1.168 20 5 CDBDHN Cc1cc(NC(=O)CNC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001515789109 969917272 /nfs/dbraw/zinc/91/72/72/969917272.db2.gz LCXDGXHNRWAGFS-CYBMUJFWSA-N 0 3 293.323 1.610 20 5 CDBDHN CC(COC(=O)c1ccc2cnccc2n1)[N+](=O)[O-] ZINC001518853990 970042935 /nfs/dbraw/zinc/04/29/35/970042935.db2.gz JTYRCUIVDDODHL-QMMMGPOBSA-N 0 3 261.237 1.452 20 5 CDBDHN CN(CCN1CCCC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601114587 342471735 /nfs/dbraw/zinc/47/17/35/342471735.db2.gz SUXYAKXZLBXAEQ-UHFFFAOYSA-N 0 3 268.292 1.661 20 5 CDBDHN COc1cc(NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175497 343976121 /nfs/dbraw/zinc/97/61/21/343976121.db2.gz CXXYEKBTGYBSTF-LLVKDONJSA-N 0 3 281.312 1.082 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601129282 342473885 /nfs/dbraw/zinc/47/38/85/342473885.db2.gz PKDLINWPBGPCPD-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN CC[C@H]1CN(C)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000601190627 342488343 /nfs/dbraw/zinc/48/83/43/342488343.db2.gz ATTPPWLLZPJZDS-JTQLQIEISA-N 0 3 265.317 1.305 20 5 CDBDHN CN1CC[C@]2(CCN(c3cccnc3[N+](=O)[O-])C2)C1 ZINC000589879247 342516164 /nfs/dbraw/zinc/51/61/64/342516164.db2.gz VPFONTMVOCKYDI-ZDUSSCGKSA-N 0 3 262.313 1.522 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)CNC2CC2)cc1[N+](=O)[O-] ZINC000237602421 342064285 /nfs/dbraw/zinc/06/42/85/342064285.db2.gz ZNRWFCMYLGRSRO-SNVBAGLBSA-N 0 3 277.324 1.832 20 5 CDBDHN CNc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000047852666 342104317 /nfs/dbraw/zinc/10/43/17/342104317.db2.gz ZIQZFAHTACNSSR-SECBINFHSA-N 0 3 280.328 1.316 20 5 CDBDHN CCc1nn(C)c(N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000588818461 342222565 /nfs/dbraw/zinc/22/25/65/342222565.db2.gz UGSWTIHNZYCRIE-NSHDSACASA-N 0 3 293.371 1.787 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1c1ncccc1[N+](=O)[O-] ZINC000594873683 342972895 /nfs/dbraw/zinc/97/28/95/342972895.db2.gz KWPBZMPONFILKS-LLVKDONJSA-N 0 3 264.329 1.910 20 5 CDBDHN Cc1c(C(=O)NC[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000108347068 349736602 /nfs/dbraw/zinc/73/66/02/349736602.db2.gz SGZVTYZKKFMXGG-GFCCVEGCSA-N 0 3 291.351 1.975 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)O ZINC000595005289 342995533 /nfs/dbraw/zinc/99/55/33/342995533.db2.gz BHPIEXKEGAYDJQ-DTWKUNHWSA-N 0 3 254.286 1.635 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN(CCCO)C2)nc1 ZINC000294980669 199282870 /nfs/dbraw/zinc/28/28/70/199282870.db2.gz PCXOMUPTHZAVPQ-NSHDSACASA-N 0 3 280.328 1.249 20 5 CDBDHN O=c1[n-]ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596119962 343232633 /nfs/dbraw/zinc/23/26/33/343232633.db2.gz FLBAVFDSMSAUCC-LLVKDONJSA-N 0 3 292.339 1.760 20 5 CDBDHN CC[NH+](CC)C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596140197 343241605 /nfs/dbraw/zinc/24/16/05/343241605.db2.gz FCFPEMUZHIGPKS-LLVKDONJSA-N 0 3 294.355 1.864 20 5 CDBDHN CC(C)[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596062865 343223912 /nfs/dbraw/zinc/22/39/12/343223912.db2.gz SLXLOYHIHDDMBI-UHFFFAOYSA-N 0 3 280.328 1.980 20 5 CDBDHN Cc1nn(C)c(N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376261177 282272252 /nfs/dbraw/zinc/27/22/52/282272252.db2.gz XYYGASOXOVASEC-JQWIXIFHSA-N 0 3 293.371 1.700 20 5 CDBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000602651667 344516427 /nfs/dbraw/zinc/51/64/27/344516427.db2.gz KLDTVKICTCZGGQ-SNVBAGLBSA-N 0 3 283.303 1.201 20 5 CDBDHN CC(C)N1CC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000610480773 346290052 /nfs/dbraw/zinc/29/00/52/346290052.db2.gz VOSJQHPYIKDRBJ-CQSZACIVSA-N 0 3 291.351 1.736 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CC[C@@H](CO)C2)c1 ZINC000295142994 199370157 /nfs/dbraw/zinc/37/01/57/199370157.db2.gz ZWNPTUQQFYPBRD-NEPJUHHUSA-N 0 3 250.298 1.845 20 5 CDBDHN CN1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000611265431 346726956 /nfs/dbraw/zinc/72/69/56/346726956.db2.gz VLUNJUYZKYVPSK-UHFFFAOYSA-N 0 3 292.339 1.623 20 5 CDBDHN CN(C)CCOCCNc1sccc1[N+](=O)[O-] ZINC000613113981 347397997 /nfs/dbraw/zinc/39/79/97/347397997.db2.gz LOJQTHCVGLUGBO-UHFFFAOYSA-N 0 3 259.331 1.646 20 5 CDBDHN Cc1nn(C)c(N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000090795244 348157584 /nfs/dbraw/zinc/15/75/84/348157584.db2.gz URSHFVKPLVZEJE-PSASIEDQSA-N 0 3 267.333 1.531 20 5 CDBDHN CN(CCNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000063116959 348918928 /nfs/dbraw/zinc/91/89/28/348918928.db2.gz KTTAEHWPMMYMHH-UHFFFAOYSA-N 0 3 263.297 1.419 20 5 CDBDHN C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000454293751 252340617 /nfs/dbraw/zinc/34/06/17/252340617.db2.gz VMESGNLJIIPKQH-JTQLQIEISA-N 0 3 280.328 1.344 20 5 CDBDHN CCN(C)C[C@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000311460611 350685749 /nfs/dbraw/zinc/68/57/49/350685749.db2.gz LUQCVFVFFDEHNF-NSHDSACASA-N 0 3 268.313 1.595 20 5 CDBDHN CCCC[C@@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353472638 363042132 /nfs/dbraw/zinc/04/21/32/363042132.db2.gz QSSSEDNAHLQQKQ-LLVKDONJSA-N 0 3 295.339 1.737 20 5 CDBDHN CCOc1ccc([C@@H](C)NCCOCCO)cc1[N+](=O)[O-] ZINC000152624550 188033162 /nfs/dbraw/zinc/03/31/62/188033162.db2.gz RJKSYOVKDXDVLB-LLVKDONJSA-N 0 3 298.339 1.653 20 5 CDBDHN Cc1ccc(CNCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000112717191 366125702 /nfs/dbraw/zinc/12/57/02/366125702.db2.gz WBJMCWNBWZLPRA-UHFFFAOYSA-N 0 3 280.324 1.534 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCC2(O)CCOCC2)c1 ZINC000112717158 366126524 /nfs/dbraw/zinc/12/65/24/366126524.db2.gz IOHLHNRBJMZFKY-UHFFFAOYSA-N 0 3 266.297 1.226 20 5 CDBDHN CC[C@H](O)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000304508325 356283844 /nfs/dbraw/zinc/28/38/44/356283844.db2.gz HKWHNUURSBUOFY-STQMWFEESA-N 0 3 282.344 1.417 20 5 CDBDHN CN(C)CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 ZINC000132433966 357002451 /nfs/dbraw/zinc/00/24/51/357002451.db2.gz ICCKWZVKAWLKBF-UHFFFAOYSA-N 0 3 290.117 1.081 20 5 CDBDHN CN(C)[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCSC1 ZINC000360327883 357070584 /nfs/dbraw/zinc/07/05/84/357070584.db2.gz CKZHGJWVUUDDSJ-LBPRGKRZSA-N 0 3 298.368 1.090 20 5 CDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000181491303 357353882 /nfs/dbraw/zinc/35/38/82/357353882.db2.gz KXESLIPWWIIVTA-JTQLQIEISA-N 0 3 276.296 1.848 20 5 CDBDHN Cc1ccc(CNC[C@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000227975870 358688522 /nfs/dbraw/zinc/68/85/22/358688522.db2.gz FJHPAOHWAWTMFN-SMDDNHRTSA-N 0 3 280.324 1.533 20 5 CDBDHN Cc1c(C(=O)NCCN(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000120344013 358764022 /nfs/dbraw/zinc/76/40/22/358764022.db2.gz WZSJFNUCNGILEB-UHFFFAOYSA-N 0 3 296.283 1.103 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCN1CC[C@@H](O)C1 ZINC000599007986 358724657 /nfs/dbraw/zinc/72/46/57/358724657.db2.gz FPWICDJQEHTGLD-LYKUJDHUSA-N 0 3 291.351 1.264 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCCC[C@@H]2CO)cc1 ZINC000048346865 359201700 /nfs/dbraw/zinc/20/17/00/359201700.db2.gz PQVXAQNNIRAZID-CQSZACIVSA-N 0 3 264.325 1.984 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000237068534 363638126 /nfs/dbraw/zinc/63/81/26/363638126.db2.gz SXJXVRFEKAPUSE-GXFFZTMASA-N 0 3 294.355 1.496 20 5 CDBDHN Cc1cc(N[C@@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000073000361 360048147 /nfs/dbraw/zinc/04/81/47/360048147.db2.gz VWPGBVATDCCUKJ-SNVBAGLBSA-N 0 3 262.313 1.947 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177129733 189030940 /nfs/dbraw/zinc/03/09/40/189030940.db2.gz QIGDRIZSVOSRCW-JQWIXIFHSA-N 0 3 289.335 1.950 20 5 CDBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1CCCOC1 ZINC000348150324 360524847 /nfs/dbraw/zinc/52/48/47/360524847.db2.gz XWDBCMMKRABMFE-ZJUUUORDSA-N 0 3 268.317 1.233 20 5 CDBDHN CC(C)C[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236689183 361358175 /nfs/dbraw/zinc/35/81/75/361358175.db2.gz DIJIWVJSWDXKQX-LBPRGKRZSA-N 0 3 279.340 1.627 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])c(N)n1 ZINC000301587228 201084544 /nfs/dbraw/zinc/08/45/44/201084544.db2.gz RTZBVIUYWDFIAB-ZJUUUORDSA-N 0 3 292.343 1.030 20 5 CDBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000053251028 361403038 /nfs/dbraw/zinc/40/30/38/361403038.db2.gz LHCHQCJUFMMNAL-LLVKDONJSA-N 0 3 292.339 1.343 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000345826261 364026137 /nfs/dbraw/zinc/02/61/37/364026137.db2.gz PYEFMVLNVNQUHN-NEPJUHHUSA-N 0 3 277.324 1.599 20 5 CDBDHN Cc1nn(C)c(N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000301257244 364196948 /nfs/dbraw/zinc/19/69/48/364196948.db2.gz GADDBHLWMRKCRU-UHFFFAOYSA-N 0 3 267.333 1.169 20 5 CDBDHN CC(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000035011585 364616258 /nfs/dbraw/zinc/61/62/58/364616258.db2.gz NMVFPHOJDMGYHZ-UHFFFAOYSA-N 0 3 277.324 1.695 20 5 CDBDHN CN(C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275709658 193110193 /nfs/dbraw/zinc/11/01/93/193110193.db2.gz CJFGEMGLIJOWCD-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN CC1(C)CCCN1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000457074087 365374693 /nfs/dbraw/zinc/37/46/93/365374693.db2.gz LANZHKJAORUTPE-UHFFFAOYSA-N 0 3 280.328 1.527 20 5 CDBDHN Cc1ccc(CN[C@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414562934 241260452 /nfs/dbraw/zinc/26/04/52/241260452.db2.gz UEWPTQQVNWRRON-UONOGXRCSA-N 0 3 294.351 1.780 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000130531159 367284808 /nfs/dbraw/zinc/28/48/08/367284808.db2.gz BWBMETPKHQNZHR-PELKAZGASA-N 0 3 281.312 1.915 20 5 CDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090520407 367568588 /nfs/dbraw/zinc/56/85/88/367568588.db2.gz HRGNRKFXKRZYTR-GFCCVEGCSA-N 0 3 279.340 1.879 20 5 CDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN[C@H](C)C1 ZINC000420334574 244101490 /nfs/dbraw/zinc/10/14/90/244101490.db2.gz IZHUMQMHIXXBPV-GHMZBOCLSA-N 0 3 292.339 1.216 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330889053 203355262 /nfs/dbraw/zinc/35/52/62/203355262.db2.gz BBHKBXVYUTUDFE-DGCLKSJQSA-N 0 3 291.351 1.736 20 5 CDBDHN CN(CCN1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000001657941 370461263 /nfs/dbraw/zinc/46/12/63/370461263.db2.gz BQJDDAHSMWNLQN-UHFFFAOYSA-N 0 3 291.351 1.692 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCO)C2CC2)c1 ZINC000269630400 373193161 /nfs/dbraw/zinc/19/31/61/373193161.db2.gz FHRSAMXNDRQGJF-ZDUSSCGKSA-N 0 3 266.297 1.085 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000269635533 373244365 /nfs/dbraw/zinc/24/43/65/373244365.db2.gz HGUFBRHZDGWUIY-RISCZKNCSA-N 0 3 280.324 1.597 20 5 CDBDHN COC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269647255 373293140 /nfs/dbraw/zinc/29/31/40/373293140.db2.gz LDXRCDSKLBLJJS-IUODEOHRSA-N 0 3 294.351 1.987 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(N)=O)CC1 ZINC000266534391 373958576 /nfs/dbraw/zinc/95/85/76/373958576.db2.gz NJGQJHCXSARAOR-SNVBAGLBSA-N 0 3 277.324 1.853 20 5 CDBDHN N[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000422940357 374364713 /nfs/dbraw/zinc/36/47/13/374364713.db2.gz SPELUAMETYCKDV-ZDUSSCGKSA-N 0 3 292.339 1.250 20 5 CDBDHN NC(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000081542014 374518146 /nfs/dbraw/zinc/51/81/46/374518146.db2.gz WAZYJAQWAAWKIR-UHFFFAOYSA-N 0 3 292.339 1.270 20 5 CDBDHN CCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296275595 375295819 /nfs/dbraw/zinc/29/58/19/375295819.db2.gz HAEMVDQXWASPQR-SNVBAGLBSA-N 0 3 265.317 1.589 20 5 CDBDHN COc1ccc(NC(=O)[C@@H]2CCCCN2)cc1[N+](=O)[O-] ZINC000132496250 375506826 /nfs/dbraw/zinc/50/68/26/375506826.db2.gz IJNGWFXGVMZTSX-JTQLQIEISA-N 0 3 279.296 1.684 20 5 CDBDHN COc1ccc(CNC[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000227971032 375658827 /nfs/dbraw/zinc/65/88/27/375658827.db2.gz UTSLKGFMKPZJHX-QMTHXVAHSA-N 0 3 296.323 1.233 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000296577905 376525697 /nfs/dbraw/zinc/52/56/97/376525697.db2.gz WNUCADAZZZGPGW-SNVBAGLBSA-N 0 3 277.324 1.694 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCCC(=O)N1 ZINC000433195262 248007631 /nfs/dbraw/zinc/00/76/31/248007631.db2.gz SNMQXKAADXENFO-GFCCVEGCSA-N 0 3 277.324 1.662 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CNCCO2)c(Cl)c1 ZINC000134271064 378058279 /nfs/dbraw/zinc/05/82/79/378058279.db2.gz BJIMLIJLSGRBAS-VIFPVBQESA-N 0 3 271.704 1.649 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000173620033 378729177 /nfs/dbraw/zinc/72/91/77/378729177.db2.gz AGIGJCFYWKJPQW-LBPRGKRZSA-N 0 3 291.351 1.975 20 5 CDBDHN CC(C)[C@H](CCO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444671722 250164914 /nfs/dbraw/zinc/16/49/14/250164914.db2.gz DMQWBPOHHNOMJQ-NSHDSACASA-N 0 3 292.339 1.968 20 5 CDBDHN CCN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1 ZINC000174863647 379596537 /nfs/dbraw/zinc/59/65/37/379596537.db2.gz XHXUZKNIQPDCIX-LBPRGKRZSA-N 0 3 268.317 1.292 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCCN(CCCO)C1 ZINC000450613726 251366666 /nfs/dbraw/zinc/36/66/66/251366666.db2.gz MOJLTZPJGGZUGW-LBPRGKRZSA-N 0 3 297.330 1.993 20 5 CDBDHN CC(C)[C@](C)(NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000289382998 197321176 /nfs/dbraw/zinc/32/11/76/197321176.db2.gz QFYMZVASYFDWAQ-AWEZNQCLSA-N 0 3 295.339 1.463 20 5 CDBDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000505577208 254090067 /nfs/dbraw/zinc/09/00/67/254090067.db2.gz RUJAWBKOBFOEOO-QWRGUYRKSA-N 0 3 281.360 1.861 20 5 CDBDHN Cc1nn(C(C)C)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000281343935 195205179 /nfs/dbraw/zinc/20/51/79/195205179.db2.gz MBNCDHPHJXYFEO-UHFFFAOYSA-N 0 3 292.343 1.667 20 5 CDBDHN CO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000281819784 195396603 /nfs/dbraw/zinc/39/66/03/195396603.db2.gz WUPZKWAOPDTHKE-JQWIXIFHSA-N 0 3 268.317 1.291 20 5 CDBDHN COc1cccc(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000192674099 533393312 /nfs/dbraw/zinc/39/33/12/533393312.db2.gz MQCVGDGRPCPLLY-UHFFFAOYSA-N 0 3 281.312 1.237 20 5 CDBDHN C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000189728882 130016831 /nfs/dbraw/zinc/01/68/31/130016831.db2.gz KSZBBIGRRKDHLI-GXFFZTMASA-N 0 3 250.298 1.798 20 5 CDBDHN CN1CCC2(CCCN2C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000549198523 392546816 /nfs/dbraw/zinc/54/68/16/392546816.db2.gz NQWMQAWXXFWCII-UHFFFAOYSA-N 0 3 293.327 1.018 20 5 CDBDHN CC(C)[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000269055618 132105076 /nfs/dbraw/zinc/10/50/76/132105076.db2.gz GPXDFQYUJQRZBZ-GFCCVEGCSA-N 0 3 265.313 1.237 20 5 CDBDHN CC(C)CN1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193375387 393329155 /nfs/dbraw/zinc/32/91/55/393329155.db2.gz IBIZBNOVNYSYOJ-UHFFFAOYSA-N 0 3 278.356 1.955 20 5 CDBDHN C[C@](O)(CNCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000311932082 149223572 /nfs/dbraw/zinc/22/35/72/149223572.db2.gz IGGCPMVIGPMKSR-ZDUSSCGKSA-N 0 3 268.288 1.985 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN(C)C ZINC000348167982 153799855 /nfs/dbraw/zinc/79/98/55/153799855.db2.gz NJZACWGJEPLMPM-SECBINFHSA-N 0 3 296.327 1.675 20 5 CDBDHN COC(=O)COc1ccc(CNC2CCC2)cc1[N+](=O)[O-] ZINC000353775531 156076445 /nfs/dbraw/zinc/07/64/45/156076445.db2.gz JHYNJHZRNRTBAN-UHFFFAOYSA-N 0 3 294.307 1.789 20 5 CDBDHN C[C@@H](NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177112 173010820 /nfs/dbraw/zinc/01/08/20/173010820.db2.gz SHJNKIKQFSAHFX-CYBMUJFWSA-N 0 3 293.367 1.968 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)C2CCC2)c(F)c1 ZINC000316250901 270329074 /nfs/dbraw/zinc/32/90/74/270329074.db2.gz VHPGNWZCYXJYMM-ZDUSSCGKSA-N 0 3 268.288 1.985 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1CCO ZINC000049801360 424449045 /nfs/dbraw/zinc/44/90/45/424449045.db2.gz RIGXNWWJUWHBBW-GFCCVEGCSA-N 0 3 282.344 1.337 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cn1 ZINC000273696967 276234364 /nfs/dbraw/zinc/23/43/64/276234364.db2.gz CDUOGICHPWVRMN-MNOVXSKESA-N 0 3 277.328 1.448 20 5 CDBDHN CN(c1nc2sccn2c1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000266056144 277004230 /nfs/dbraw/zinc/00/42/30/277004230.db2.gz XZFZCVMAQDPNGB-VIFPVBQESA-N 0 3 295.368 1.834 20 5 CDBDHN COC[C@@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000280875396 277564883 /nfs/dbraw/zinc/56/48/83/277564883.db2.gz DCWFEWXRLYFVQM-BXUZGUMPSA-N 0 3 280.324 1.569 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCN(C)C1=O ZINC000449179063 278298856 /nfs/dbraw/zinc/29/88/56/278298856.db2.gz VDKSLVMKCNFGBH-AAEUAGOBSA-N 0 3 291.351 1.736 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNCC1(O)CCCC1 ZINC000087028749 279253928 /nfs/dbraw/zinc/25/39/28/279253928.db2.gz TUNSESSUFTTZTP-UHFFFAOYSA-N 0 3 280.324 1.998 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCNCc2ccccc21 ZINC000430936619 279384660 /nfs/dbraw/zinc/38/46/60/279384660.db2.gz VHTUIXHWWPKGSB-UHFFFAOYSA-N 0 3 287.323 1.438 20 5 CDBDHN O=C1C[C@@H](CNCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000573732971 294877195 /nfs/dbraw/zinc/87/71/95/294877195.db2.gz ZNOLEONJSTWCIQ-NSHDSACASA-N 0 3 289.335 1.695 20 5 CDBDHN CNc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000579241574 324138748 /nfs/dbraw/zinc/13/87/48/324138748.db2.gz CJEIBQNBVZZTQB-ZJUUUORDSA-N 0 3 292.339 1.459 20 5 CDBDHN Cc1nc(Cl)nc(OC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000234322884 1178217058 /nfs/dbraw/zinc/21/70/58/1178217058.db2.gz FERBADWTSZJMPH-UHFFFAOYSA-N 0 3 286.719 1.820 20 5 CDBDHN CCN1CCN([C@H](C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000059389344 521694894 /nfs/dbraw/zinc/69/48/94/521694894.db2.gz XQPBHWYOPPMMJD-GFCCVEGCSA-N 0 3 293.371 1.428 20 5 CDBDHN CCc1n[nH]c(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000184501830 523666975 /nfs/dbraw/zinc/66/69/75/523666975.db2.gz QXLMMNNWPUJMEV-UHFFFAOYSA-N 0 3 295.343 1.047 20 5 CDBDHN CCc1[nH]nc(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000184501830 523666986 /nfs/dbraw/zinc/66/69/86/523666986.db2.gz QXLMMNNWPUJMEV-UHFFFAOYSA-N 0 3 295.343 1.047 20 5 CDBDHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803082 525397230 /nfs/dbraw/zinc/39/72/30/525397230.db2.gz DMCHJNBQTLJVMV-SWLSCSKDSA-N 0 3 292.383 1.491 20 5 CDBDHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CNCCO3)ccc2c1 ZINC000157397858 527381311 /nfs/dbraw/zinc/38/13/11/527381311.db2.gz LKDYDXLLSUMOST-GFCCVEGCSA-N 0 3 288.307 1.543 20 5 CDBDHN COc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262761291 536888261 /nfs/dbraw/zinc/88/82/61/536888261.db2.gz IMXOJZQKQSHYNU-UWVGGRQHSA-N 0 3 293.323 1.426 20 5 CDBDHN C[C@H]1CCCN1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000744348557 576676343 /nfs/dbraw/zinc/67/63/43/576676343.db2.gz UWFKTNNHGXCZPN-VIFPVBQESA-N 0 3 283.353 1.870 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](CCO)C2)c1 ZINC000750050084 576973741 /nfs/dbraw/zinc/97/37/41/576973741.db2.gz ALANKIOREVJXIE-IUODEOHRSA-N 0 3 294.351 1.723 20 5 CDBDHN CC(COC(=O)c1ccn(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813104435 617342963 /nfs/dbraw/zinc/34/29/63/617342963.db2.gz CQLVZNHMLCPMLD-SNVBAGLBSA-N 0 3 275.264 1.694 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]1CO ZINC000934021902 617861067 /nfs/dbraw/zinc/86/10/67/617861067.db2.gz SCOITXDOBRBDED-GFCCVEGCSA-N 0 3 293.323 1.298 20 5 CDBDHN Cc1ccc(N2CCC[C@@H](NCC[N+](=O)[O-])C2)cc1 ZINC000905140962 626653212 /nfs/dbraw/zinc/65/32/12/626653212.db2.gz ZGQLLVSSARTSOB-CYBMUJFWSA-N 0 3 263.341 1.830 20 5 CDBDHN O=[N+]([O-])CCN[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000905278523 626733053 /nfs/dbraw/zinc/73/30/53/626733053.db2.gz IFGQNFUNOBWESW-NEPJUHHUSA-N 0 3 251.286 1.168 20 5 CDBDHN O=[N+]([O-])CCNC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000905367767 626786458 /nfs/dbraw/zinc/78/64/58/626786458.db2.gz VCRQLSVGCKWKKY-STQMWFEESA-N 0 3 268.288 1.158 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](O)c2ccco2)cc1 ZINC000914795468 631574197 /nfs/dbraw/zinc/57/41/97/631574197.db2.gz MXJPXRAPQDYBJR-OLZOCXBDSA-N 0 3 292.291 1.544 20 5 CDBDHN Cc1ccc(F)c(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835454230 631645700 /nfs/dbraw/zinc/64/57/00/631645700.db2.gz IOAJIOQUKPNEFM-SECBINFHSA-N 0 3 255.245 1.885 20 5 CDBDHN Cc1cc(=O)n(C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000917221605 632177800 /nfs/dbraw/zinc/17/78/00/632177800.db2.gz YUJKFKCQKJEQJT-SNVBAGLBSA-N 0 3 251.286 1.159 20 5 CDBDHN COc1cc(-n2ccc([C@@H](C)N)n2)ncc1[N+](=O)[O-] ZINC001158348884 1162900127 /nfs/dbraw/zinc/90/01/27/1162900127.db2.gz MLEJAPBPXZURFL-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN C[C@H](Nc1c(Cl)nccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170565185 1162930327 /nfs/dbraw/zinc/93/03/27/1162930327.db2.gz UGOBGXZHTDPKIL-IONNQARKSA-N 0 3 286.719 1.432 20 5 CDBDHN CCOc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170568752 1162947817 /nfs/dbraw/zinc/94/78/17/1162947817.db2.gz PBIVNVRYIIRDGF-IINYFYTJSA-N 0 3 295.339 1.782 20 5 CDBDHN C[C@H](Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)[C@@H]1CNCCO1 ZINC001170571086 1162958493 /nfs/dbraw/zinc/95/84/93/1162958493.db2.gz XYMIIRXCWPMEMP-ZANVPECISA-N 0 3 290.323 1.865 20 5 CDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCNC[C@@H]1F ZINC001580574553 1172472272 /nfs/dbraw/zinc/47/22/72/1172472272.db2.gz SEERHTDPAMREMS-WDEREUQCSA-N 0 3 299.277 1.093 20 5 CDBDHN C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN(C2CC2)C1 ZINC000832949745 837824023 /nfs/dbraw/zinc/82/40/23/837824023.db2.gz OBUJXHWPIXWZLP-GFCCVEGCSA-N 0 3 297.399 1.765 20 5 CDBDHN CN(CCNc1sccc1[N+](=O)[O-])CCOCCO ZINC000882951545 835882069 /nfs/dbraw/zinc/88/20/69/835882069.db2.gz KAPXFOPNEOEPRD-UHFFFAOYSA-N 0 3 289.357 1.009 20 5 CDBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@@H](CO)C1CCOCC1 ZINC000782528565 836367994 /nfs/dbraw/zinc/36/79/94/836367994.db2.gz AIEQKRWZIUXFFD-ZDUSSCGKSA-N 0 3 298.314 1.611 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107422 836860745 /nfs/dbraw/zinc/86/07/45/836860745.db2.gz QITHRYBPYVZOTI-QMMMGPOBSA-N 0 3 268.225 1.725 20 5 CDBDHN COC(=O)[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000877633543 837357841 /nfs/dbraw/zinc/35/78/41/837357841.db2.gz APICYKGEPVFKEZ-TXEJJXNPSA-N 0 3 278.308 1.944 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)C[C@@H](C)O2)[N+](=O)[O-] ZINC000851036723 837948395 /nfs/dbraw/zinc/94/83/95/837948395.db2.gz LPYIGYFQFIPBHH-DTWKUNHWSA-N 0 3 265.265 1.832 20 5 CDBDHN CN1CC[C@@H]2CN(c3ccnc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000882422385 837988499 /nfs/dbraw/zinc/98/84/99/837988499.db2.gz RYMJTQUJTDUWAK-SCZZXKLOSA-N 0 3 266.276 1.269 20 5 CDBDHN Cc1cnc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000252513114 839247454 /nfs/dbraw/zinc/24/74/54/839247454.db2.gz KRBCUDIMASFGPW-NWDGAFQWSA-N 0 3 292.339 1.573 20 5 CDBDHN COC[C@@H](CNCc1cccc([N+](=O)[O-])c1C)OC ZINC000234711802 840266902 /nfs/dbraw/zinc/26/69/02/840266902.db2.gz XSNFIXRBUJSNGR-GFCCVEGCSA-N 0 3 268.313 1.654 20 5 CDBDHN COCC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776583111 840332126 /nfs/dbraw/zinc/33/21/26/840332126.db2.gz WRYWPCCROXUSCS-OAHLLOKOSA-N 0 3 294.351 1.987 20 5 CDBDHN C[C@@H]1C[C@H](O)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602171 840642822 /nfs/dbraw/zinc/64/28/22/840642822.db2.gz TZVIRABEUCJTRC-ICCXJUOJSA-N 0 3 266.297 1.083 20 5 CDBDHN O=[N+]([O-])c1c(NC[C@@H]2CSCCN2)nc2ccccn21 ZINC000882728873 842287497 /nfs/dbraw/zinc/28/74/97/842287497.db2.gz KXAPYDRNFNIXQP-SECBINFHSA-N 0 3 293.352 1.359 20 5 CDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886300477 842387656 /nfs/dbraw/zinc/38/76/56/842387656.db2.gz ITQFZGZSCZTSIJ-UXCLJVHYSA-N 0 3 265.313 1.891 20 5 CDBDHN CC(COC(=O)Cc1cnn(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813109301 842413633 /nfs/dbraw/zinc/41/36/33/842413633.db2.gz RHFARNALEAYVJQ-SNVBAGLBSA-N 0 3 290.279 1.018 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000884064437 842866644 /nfs/dbraw/zinc/86/66/44/842866644.db2.gz IAEOKQIDINQQBD-LBPRGKRZSA-N 0 3 275.308 1.611 20 5 CDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@]23C[C@@H]2CCN3)n1 ZINC001212342960 916220189 /nfs/dbraw/zinc/22/01/89/916220189.db2.gz BYHKZYMAVOJAMT-PWCHPLFNSA-N 0 3 291.242 1.387 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NC2(c3cccnn3)CC2)C1 ZINC001168973295 927596534 /nfs/dbraw/zinc/59/65/34/927596534.db2.gz NTBGAXNDHAXFBH-QWRGUYRKSA-N 0 3 262.313 1.501 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3cnccn3)CC2)C1 ZINC001169005767 927608533 /nfs/dbraw/zinc/60/85/33/927608533.db2.gz CWSPFGLCYOMHBO-STQMWFEESA-N 0 3 291.355 1.044 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2cc3n(n2)CCCO3)C1 ZINC001169007590 927612432 /nfs/dbraw/zinc/61/24/32/927612432.db2.gz OIVDUSOUTBKDSW-MNOVXSKESA-N 0 3 280.328 1.201 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3cnccc3C2)C1 ZINC001169008682 927615161 /nfs/dbraw/zinc/61/51/61/927615161.db2.gz TVYNVJXTWSAHLL-BXUZGUMPSA-N 0 3 261.325 1.885 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](n2cnc3c2CNCC3)C1 ZINC001169010700 927617620 /nfs/dbraw/zinc/61/76/20/927617620.db2.gz FQPZSCQAXWEXBE-NXEZZACHSA-N 0 3 250.302 1.147 20 5 CDBDHN CCN([C@@H](C)C(=O)OC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169054399 927671804 /nfs/dbraw/zinc/67/18/04/927671804.db2.gz LVWQDORIGFGKKC-HBNTYKKESA-N 0 3 258.318 1.315 20 5 CDBDHN COc1cc([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)cc1F ZINC001169232225 927839919 /nfs/dbraw/zinc/83/99/19/927839919.db2.gz BBQFARMLYLFJJS-ZETCQYMHSA-N 0 3 280.259 1.948 20 5 CDBDHN CC(COC(=O)c1ncc(Br)cn1)[N+](=O)[O-] ZINC001123041188 936104722 /nfs/dbraw/zinc/10/47/22/936104722.db2.gz CKDHDXXNHMHNCU-RXMQYKEDSA-N 0 3 290.073 1.061 20 5 CDBDHN CN1CCN(C(=N)Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC001157910674 938560874 /nfs/dbraw/zinc/56/08/74/938560874.db2.gz QTFUCBPEJLXGOL-UHFFFAOYSA-N 0 3 298.734 1.237 20 5 CDBDHN CC(C)N1CCN(c2cc([N+](=O)[O-])ccn2)C[C@@H]1C ZINC001158493784 938629132 /nfs/dbraw/zinc/62/91/32/938629132.db2.gz LMVBQAJICCILNL-NSHDSACASA-N 0 3 264.329 1.909 20 5 CDBDHN CCOc1nc(N[C@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159498232 938734265 /nfs/dbraw/zinc/73/42/65/938734265.db2.gz KXRFHRCPPYDSHA-KOLCDFICSA-N 0 3 296.327 1.177 20 5 CDBDHN CC(C)[C@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001161740270 938928426 /nfs/dbraw/zinc/92/84/26/938928426.db2.gz CKPWBAMDLIFPCQ-LBPRGKRZSA-N 0 3 265.313 1.627 20 5 CDBDHN Cc1ccnc(N2CC(C)(N(C)C)C2)c1[N+](=O)[O-] ZINC001165116509 939511798 /nfs/dbraw/zinc/51/17/98/939511798.db2.gz FKUCLYKTOQNJQS-UHFFFAOYSA-N 0 3 250.302 1.439 20 5 CDBDHN O=[N+]([O-])c1cccc2ccc(-n3ncc4c3CCNC4)nc21 ZINC001165219038 939526544 /nfs/dbraw/zinc/52/65/44/939526544.db2.gz OPFSGIZZGDIJFN-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN COCCN1CCC(Oc2cccnc2[N+](=O)[O-])CC1 ZINC001225629430 941891278 /nfs/dbraw/zinc/89/12/78/941891278.db2.gz NGLSCXQSSRSHEU-UHFFFAOYSA-N 0 3 281.312 1.479 20 5 CDBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])cn2)CC1 ZINC001225629962 941891373 /nfs/dbraw/zinc/89/13/73/941891373.db2.gz DIFFPJVNRUUMQA-UHFFFAOYSA-N 0 3 281.312 1.479 20 5 CDBDHN CC(C)N1CC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628996 941891760 /nfs/dbraw/zinc/89/17/60/941891760.db2.gz BSWJEJPAIJCCAT-SNVBAGLBSA-N 0 3 251.286 1.851 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1ccccc1-c1nnn[n-]1 ZINC001229955360 942557671 /nfs/dbraw/zinc/55/76/71/942557671.db2.gz VBEUSTVIHNQHLC-SNVBAGLBSA-N 0 3 262.337 1.340 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1ccccc1-c1nn[n-]n1 ZINC001229955360 942557674 /nfs/dbraw/zinc/55/76/74/942557674.db2.gz VBEUSTVIHNQHLC-SNVBAGLBSA-N 0 3 262.337 1.340 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC001254532386 947510067 /nfs/dbraw/zinc/51/00/67/947510067.db2.gz NSGLVBAXRDCHLZ-PWSUYJOCSA-N 0 3 298.364 1.303 20 5 CDBDHN COCCN(CCOC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598494 947546646 /nfs/dbraw/zinc/54/66/46/947546646.db2.gz KCXKGECJUFKDPO-HNNXBMFYSA-N 0 3 294.351 1.657 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001333502497 958381817 /nfs/dbraw/zinc/38/18/17/958381817.db2.gz NJDTWJJHDNWCSC-SNVBAGLBSA-N 0 3 296.302 1.950 20 5 CDBDHN CN(C)C[C@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000589101778 342496912 /nfs/dbraw/zinc/49/69/12/342496912.db2.gz KPHHEGZUMKZNCJ-SNVBAGLBSA-N 0 3 290.323 1.477 20 5 CDBDHN Cc1ccc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000589101843 342496946 /nfs/dbraw/zinc/49/69/46/342496946.db2.gz NTXUBYAEMDZUPF-SNVBAGLBSA-N 0 3 253.302 1.238 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC1CCN(C2CC2)CC1 ZINC000073350512 342186292 /nfs/dbraw/zinc/18/62/92/342186292.db2.gz LGTPOOACSWKTHG-UHFFFAOYSA-N 0 3 265.317 1.367 20 5 CDBDHN Cc1ccc(CNCC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593691242 342823492 /nfs/dbraw/zinc/82/34/92/342823492.db2.gz OLCQKVZWPDJTEH-HNNXBMFYSA-N 0 3 294.351 1.924 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)C1CC1 ZINC000076993388 342326323 /nfs/dbraw/zinc/32/63/23/342326323.db2.gz KMUVAUROGMGJAI-UHFFFAOYSA-N 0 3 266.297 1.430 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000457207668 365708869 /nfs/dbraw/zinc/70/88/69/365708869.db2.gz MXZLSIYQNZOQSY-UHFFFAOYSA-N 0 3 294.355 1.463 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735565 343135269 /nfs/dbraw/zinc/13/52/69/343135269.db2.gz BBDSEAHDJKETDC-GFCCVEGCSA-N 0 3 296.323 1.321 20 5 CDBDHN CCN1CCN(CCNc2ccsc2[N+](=O)[O-])CC1 ZINC000596073290 343225897 /nfs/dbraw/zinc/22/58/97/343225897.db2.gz JNNHPAAXDHNUCY-UHFFFAOYSA-N 0 3 284.385 1.706 20 5 CDBDHN Cc1cc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])s1 ZINC000596244009 343285708 /nfs/dbraw/zinc/28/57/08/343285708.db2.gz NSGDRQXTYCFZFQ-MRVPVSSYSA-N 0 3 259.331 1.299 20 5 CDBDHN Cc1cc(N[C@H]2CCCN(CCCO)C2)ncc1[N+](=O)[O-] ZINC000294989828 199286974 /nfs/dbraw/zinc/28/69/74/199286974.db2.gz QEZIAAMVNUPELI-LBPRGKRZSA-N 0 3 294.355 1.557 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCN(CCCO)C2)cc1 ZINC000295047077 199317630 /nfs/dbraw/zinc/31/76/30/199317630.db2.gz FMSSAMFGXIOTIF-CQSZACIVSA-N 0 3 293.367 1.531 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCOC[C@H]1O ZINC000599080835 343956656 /nfs/dbraw/zinc/95/66/56/343956656.db2.gz KNSYGGFENPNLJL-ZWKOPEQDSA-N 0 3 296.323 1.404 20 5 CDBDHN C[N@@H+]1CCCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000599141799 343960363 /nfs/dbraw/zinc/96/03/63/343960363.db2.gz RLEGKSLXUMCFCD-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN C[N@H+]1CCCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000599141799 343960365 /nfs/dbraw/zinc/96/03/65/343960365.db2.gz RLEGKSLXUMCFCD-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@@H](O)C2)cc1 ZINC000599176328 343966310 /nfs/dbraw/zinc/96/63/10/343966310.db2.gz QYMAZQAKGATCOK-GFCCVEGCSA-N 0 3 251.286 1.073 20 5 CDBDHN COc1cc(CNC[C@H]2CC[C@H](C)O2)c([N+](=O)[O-])cc1O ZINC000453635833 252330156 /nfs/dbraw/zinc/33/01/56/252330156.db2.gz VKGXMVBCYGNWMB-GXSJLCMTSA-N 0 3 296.323 1.966 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@@H]1CCSC1 ZINC000602798206 344588660 /nfs/dbraw/zinc/58/86/60/344588660.db2.gz YKAIUVKXNHJCRF-SNVBAGLBSA-N 0 3 270.358 1.537 20 5 CDBDHN O=[N+]([O-])c1sccc1NC[C@@H]1CSCCN1 ZINC000603419895 344799968 /nfs/dbraw/zinc/79/99/68/344799968.db2.gz QPYFNSKYEVZJSG-SSDOTTSWSA-N 0 3 259.356 1.773 20 5 CDBDHN C[C@H](Cn1cncn1)NCc1ccc([N+](=O)[O-])cc1 ZINC000604532671 344898382 /nfs/dbraw/zinc/89/83/82/344898382.db2.gz OJBDGTVOXHYIOQ-SNVBAGLBSA-N 0 3 261.285 1.365 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344041572 362539920 /nfs/dbraw/zinc/53/99/20/362539920.db2.gz WKQZWWAAEGXKHH-OBJOEFQTSA-N 0 3 292.335 1.676 20 5 CDBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000609877889 346031356 /nfs/dbraw/zinc/03/13/56/346031356.db2.gz QCVXYQSEGAGCJT-LLVKDONJSA-N 0 3 294.355 1.538 20 5 CDBDHN CN(C)[C@@]1(CNc2cccnc2[N+](=O)[O-])CCSC1 ZINC000610489113 346293047 /nfs/dbraw/zinc/29/30/47/346293047.db2.gz JKNCOWWMZOPJFY-GFCCVEGCSA-N 0 3 282.369 1.839 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCCCC1 ZINC000610652450 346332525 /nfs/dbraw/zinc/33/25/25/346332525.db2.gz JAAGKVXHKMTXRO-UHFFFAOYSA-N 0 3 252.318 1.976 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CN1C1CC1 ZINC000610653927 346336465 /nfs/dbraw/zinc/33/64/65/346336465.db2.gz CABVMWLVEXPWCG-IUCAKERBSA-N 0 3 278.312 1.278 20 5 CDBDHN CN(CCOC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000610859995 346467616 /nfs/dbraw/zinc/46/76/16/346467616.db2.gz ZVHNVCZSUCQTHM-UHFFFAOYSA-N 0 3 270.333 1.538 20 5 CDBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000054376444 347821469 /nfs/dbraw/zinc/82/14/69/347821469.db2.gz OTFOAYNBMOCQMZ-UHFFFAOYSA-N 0 3 266.301 1.137 20 5 CDBDHN C[C@H]1CNCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000054375102 347821491 /nfs/dbraw/zinc/82/14/91/347821491.db2.gz UCFLFAYYIBXSEQ-ZETCQYMHSA-N 0 3 267.314 1.102 20 5 CDBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000086467498 179297841 /nfs/dbraw/zinc/29/78/41/179297841.db2.gz UUIIFTBIZTXWNL-GHMZBOCLSA-N 0 3 277.324 1.346 20 5 CDBDHN CCN1CCN(CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000058734065 348868797 /nfs/dbraw/zinc/86/87/97/348868797.db2.gz UZMGBUIRFYRWQZ-UHFFFAOYSA-N 0 3 279.344 1.039 20 5 CDBDHN CCN(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386907 349024225 /nfs/dbraw/zinc/02/42/25/349024225.db2.gz FJBNCDCUSPNQBT-UHFFFAOYSA-N 0 3 254.286 1.288 20 5 CDBDHN COc1ccc(CNC[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000105932529 186091782 /nfs/dbraw/zinc/09/17/82/186091782.db2.gz FJJMBENUKQAFAL-LBPRGKRZSA-N 0 3 295.339 1.024 20 5 CDBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000107673732 186185524 /nfs/dbraw/zinc/18/55/24/186185524.db2.gz ZLBVCCCHNLSURS-JTQLQIEISA-N 0 3 266.301 1.122 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC1(O)CCOCC1 ZINC000123794101 187109366 /nfs/dbraw/zinc/10/93/66/187109366.db2.gz FRLVEVWCSVFKEL-UHFFFAOYSA-N 0 3 280.324 1.568 20 5 CDBDHN CO[C@](C)([C@H](C)NCc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000411949038 363384037 /nfs/dbraw/zinc/38/40/37/363384037.db2.gz NSCGPLPDXNCNGT-TVQRCGJNSA-N 0 3 282.344 1.622 20 5 CDBDHN CN1CC[C@@H]2[C@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088234 283099930 /nfs/dbraw/zinc/09/99/30/283099930.db2.gz ISYXRXXFZGIPMJ-VXGBXAGGSA-N 0 3 276.340 1.910 20 5 CDBDHN COc1ccc(CNCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000134518158 356333341 /nfs/dbraw/zinc/33/33/41/356333341.db2.gz UCANUAKEPFPQCN-UHFFFAOYSA-N 0 3 266.297 1.608 20 5 CDBDHN Cc1ccc(CN[C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359947905 356447789 /nfs/dbraw/zinc/44/77/89/356447789.db2.gz UWZFUZZYQFHORA-AWEZNQCLSA-N 0 3 294.351 1.780 20 5 CDBDHN CCN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286757347 357988479 /nfs/dbraw/zinc/98/84/79/357988479.db2.gz ZCNUQQBGEXWFIH-CYBMUJFWSA-N 0 3 293.367 2.000 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CN(C)C1CC1 ZINC000290760006 358009063 /nfs/dbraw/zinc/00/90/63/358009063.db2.gz JYALDKPLDKCZOA-LBPRGKRZSA-N 0 3 296.323 1.437 20 5 CDBDHN C[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192734027 358231051 /nfs/dbraw/zinc/23/10/51/358231051.db2.gz AREWQRSIUXLHNG-NSHDSACASA-N 0 3 280.324 1.819 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCOCCO)CCC2 ZINC000192612041 358221808 /nfs/dbraw/zinc/22/18/08/358221808.db2.gz PUBFGOVOOBGMAE-CQSZACIVSA-N 0 3 280.324 1.571 20 5 CDBDHN Cc1cccc(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000176005252 358314434 /nfs/dbraw/zinc/31/44/34/358314434.db2.gz BDQVEEYEOYJTQL-UHFFFAOYSA-N 0 3 277.324 1.729 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408228226 358450578 /nfs/dbraw/zinc/45/05/78/358450578.db2.gz WKYMWYHPDWTEKD-CABZTGNLSA-N 0 3 280.328 1.335 20 5 CDBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264767329 358428117 /nfs/dbraw/zinc/42/81/17/358428117.db2.gz NQXHGBMGKJSEDS-JTQLQIEISA-N 0 3 280.328 1.527 20 5 CDBDHN CC(C)(CNC/C=C/c1ccccc1[N+](=O)[O-])OCCO ZINC000342328335 359009896 /nfs/dbraw/zinc/00/98/96/359009896.db2.gz WWHOEDNNFWQMHC-FNORWQNLSA-N 0 3 294.351 1.985 20 5 CDBDHN CO[C@@H]1COCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000449462753 359674322 /nfs/dbraw/zinc/67/43/22/359674322.db2.gz VQBFICDHEWNIIR-SMDDNHRTSA-N 0 3 298.314 1.875 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267680951 361283138 /nfs/dbraw/zinc/28/31/38/361283138.db2.gz MRMYBLLLUYGEGT-MNOVXSKESA-N 0 3 292.339 1.622 20 5 CDBDHN Cc1c(CNC2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000036331958 361672598 /nfs/dbraw/zinc/67/25/98/361672598.db2.gz HQOPEHSYOAUNFW-UHFFFAOYSA-N 0 3 298.364 1.570 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000345813496 363965727 /nfs/dbraw/zinc/96/57/27/363965727.db2.gz GDUGWFVPNGJAHU-CHWSQXEVSA-N 0 3 277.324 1.599 20 5 CDBDHN CC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174819633 364573775 /nfs/dbraw/zinc/57/37/75/364573775.db2.gz SMCYMMUDKRJHRM-LLVKDONJSA-N 0 3 252.318 1.913 20 5 CDBDHN Cn1c(C(=O)NCCN2CCCCCC2)ccc1[N+](=O)[O-] ZINC000331582761 203987183 /nfs/dbraw/zinc/98/71/83/203987183.db2.gz WUJFYDNFUPPXQC-UHFFFAOYSA-N 0 3 294.355 1.539 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N(C)C ZINC000298355537 373512047 /nfs/dbraw/zinc/51/20/47/373512047.db2.gz OAZBGKATRGHUSP-SSDOTTSWSA-N 0 3 257.315 1.336 20 5 CDBDHN C[C@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330541852 373698631 /nfs/dbraw/zinc/69/86/31/373698631.db2.gz AEJUOXBKUYHJIY-NSHDSACASA-N 0 3 294.355 1.395 20 5 CDBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@H]3C[C@@H](O)C3)CC2)c1 ZINC000420906595 374304498 /nfs/dbraw/zinc/30/44/98/374304498.db2.gz SSSHVJZZCIEBKZ-JNSHFYNHSA-N 0 3 291.351 1.488 20 5 CDBDHN NC(=O)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000368578603 374318000 /nfs/dbraw/zinc/31/80/00/374318000.db2.gz OPBCLPUZFODUTA-JTQLQIEISA-N 0 3 263.297 1.292 20 5 CDBDHN C[C@H](NC[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487764 374384764 /nfs/dbraw/zinc/38/47/64/374384764.db2.gz XTXNJEOAVMXHCS-SMDDNHRTSA-N 0 3 278.356 1.149 20 5 CDBDHN N[C@@H]1C[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000424143997 246355328 /nfs/dbraw/zinc/35/53/28/246355328.db2.gz RMCVKIZMSONUQB-QWHCGFSZSA-N 0 3 277.324 1.381 20 5 CDBDHN CC(C)OC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282479513 375088626 /nfs/dbraw/zinc/08/86/26/375088626.db2.gz OOSFFUBUUWBFHD-OAHLLOKOSA-N 0 3 296.367 1.855 20 5 CDBDHN CCN1CC[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493331039 375444209 /nfs/dbraw/zinc/44/42/09/375444209.db2.gz FZYBADACXRTDNA-FMFIFOJESA-N 0 3 289.335 1.818 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CCC(=O)NC1 ZINC000344846462 375595950 /nfs/dbraw/zinc/59/59/50/375595950.db2.gz IVUFQZQJUKRPAM-YLBKJLTLSA-N 0 3 289.335 1.866 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)NC1CC1 ZINC000344845415 375564942 /nfs/dbraw/zinc/56/49/42/375564942.db2.gz IJKVHBQAJDGZJM-YRNVUSSQSA-N 0 3 289.335 1.866 20 5 CDBDHN CSC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000217848100 375748206 /nfs/dbraw/zinc/74/82/06/375748206.db2.gz KCWOTCOQTUYSHF-GFCCVEGCSA-N 0 3 270.354 1.798 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CNCCO1 ZINC000134266985 375945808 /nfs/dbraw/zinc/94/58/08/375945808.db2.gz HLOSHWKHHDEWHG-NSHDSACASA-N 0 3 251.286 1.304 20 5 CDBDHN C[C@@H]1[C@@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000385671952 377844954 /nfs/dbraw/zinc/84/49/54/377844954.db2.gz HPXUCFDNXBFCGN-ZYHUDNBSSA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278768551 194147702 /nfs/dbraw/zinc/14/77/02/194147702.db2.gz LBGSAFVJODXWRJ-MJVIPROJSA-N 0 3 280.324 1.785 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN1CCCC1 ZINC000288209178 197027406 /nfs/dbraw/zinc/02/74/06/197027406.db2.gz UHWWUQGRXPHWLY-UHFFFAOYSA-N 0 3 267.333 1.627 20 5 CDBDHN C[C@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])CCN1C ZINC000134782799 390213676 /nfs/dbraw/zinc/21/36/76/390213676.db2.gz YCTSSFVDQLXFKH-UWVGGRQHSA-N 0 3 250.302 1.884 20 5 CDBDHN C[C@@H]1CCSCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000286242705 390193546 /nfs/dbraw/zinc/19/35/46/390193546.db2.gz RUWXQARPUIALQU-SNVBAGLBSA-N 0 3 270.358 1.619 20 5 CDBDHN CC1(C)CCCN1CCNc1ncc([N+](=O)[O-])s1 ZINC000450948180 390580659 /nfs/dbraw/zinc/58/06/59/390580659.db2.gz DXQZRKPZXSYZBT-UHFFFAOYSA-N 0 3 270.358 1.760 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000269447218 391092362 /nfs/dbraw/zinc/09/23/62/391092362.db2.gz QQUBXJCPOKKSAR-UHFFFAOYSA-N 0 3 295.343 1.265 20 5 CDBDHN COCCN1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000268891120 391461616 /nfs/dbraw/zinc/46/16/16/391461616.db2.gz JJSWVHUURASZJY-JSGCOSHPSA-N 0 3 293.367 1.966 20 5 CDBDHN CC/C=C\CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574311952 391598440 /nfs/dbraw/zinc/59/84/40/391598440.db2.gz FDKXWIGIZQZEIO-GCLPIYDQSA-N 0 3 280.324 1.890 20 5 CDBDHN COCCO[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000189676125 130006370 /nfs/dbraw/zinc/00/63/70/130006370.db2.gz PKZZFWZXAFCEDA-HNNXBMFYSA-N 0 3 294.351 1.875 20 5 CDBDHN Cc1c(CN2C[C@@H](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000190846954 130153499 /nfs/dbraw/zinc/15/34/99/130153499.db2.gz MUOXSACJUTVWCO-MFKMUULPSA-N 0 3 264.325 1.963 20 5 CDBDHN Cc1cc(C(=O)NCCN2CC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524775388 392919057 /nfs/dbraw/zinc/91/90/57/392919057.db2.gz JZWUXJMVSNDRER-LLVKDONJSA-N 0 3 291.351 1.975 20 5 CDBDHN CCC[C@H](O)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000419804398 392897313 /nfs/dbraw/zinc/89/73/13/392897313.db2.gz DALXGDFQPYVECV-OLZOCXBDSA-N 0 3 268.313 1.206 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000525803870 392937695 /nfs/dbraw/zinc/93/76/95/392937695.db2.gz VZBIINFQZUBAKX-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000421699673 392942845 /nfs/dbraw/zinc/94/28/45/392942845.db2.gz BTYAEYMGOPOSDV-CQSZACIVSA-N 0 3 291.351 1.690 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNc2ccnc3ccccc32)c1 ZINC000493790140 393221403 /nfs/dbraw/zinc/22/14/03/393221403.db2.gz FYIQAWUQGWLLHE-UHFFFAOYSA-N 0 3 283.291 1.874 20 5 CDBDHN C[C@@H]1OCC[C@@]1(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494226630 393228867 /nfs/dbraw/zinc/22/88/67/393228867.db2.gz IYYHUANPBZBGKZ-IINYFYTJSA-N 0 3 293.323 1.690 20 5 CDBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000275751257 135112177 /nfs/dbraw/zinc/11/21/77/135112177.db2.gz DFRNXZNCDDDEEK-LBPRGKRZSA-N 0 3 293.367 1.876 20 5 CDBDHN COCCNCCNc1ccc([N+](=O)[O-])cc1C ZINC000215521038 140161970 /nfs/dbraw/zinc/16/19/70/140161970.db2.gz MMHSPZMSELDHBZ-UHFFFAOYSA-N 0 3 253.302 1.551 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CC[C@@H](CO)O2)c1 ZINC000353711991 156034330 /nfs/dbraw/zinc/03/43/30/156034330.db2.gz UZLBONAPBDWNGP-STQMWFEESA-N 0 3 266.297 1.224 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(C2)CCCCC3)c1 ZINC000363981151 159361116 /nfs/dbraw/zinc/36/11/16/159361116.db2.gz ZZCPYFORXOJMHX-ZDUSSCGKSA-N 0 3 294.355 1.418 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](N2CCCCC2)C1 ZINC000285493652 196304455 /nfs/dbraw/zinc/30/44/55/196304455.db2.gz POQNUGWAECQXIG-JTQLQIEISA-N 0 3 293.327 1.018 20 5 CDBDHN Cc1ccc(NC(=O)[C@@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000399226635 270371126 /nfs/dbraw/zinc/37/11/26/270371126.db2.gz NIYAYTBIGMYTIT-LBPRGKRZSA-N 0 3 263.297 1.969 20 5 CDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1N(C)C ZINC000271025698 274186848 /nfs/dbraw/zinc/18/68/48/274186848.db2.gz GLCXSXYBEHOPQO-RYUDHWBXSA-N 0 3 296.396 1.780 20 5 CDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000286025949 274387090 /nfs/dbraw/zinc/38/70/90/274387090.db2.gz ZUYSFYKBSJUFEV-GHMZBOCLSA-N 0 3 293.323 1.887 20 5 CDBDHN CNC(=O)c1ccc(N2C[C@@H](C)NC[C@H]2C)c([N+](=O)[O-])c1 ZINC000127937927 277259286 /nfs/dbraw/zinc/25/92/86/277259286.db2.gz BRPPOEVCVUGLNT-NXEZZACHSA-N 0 3 292.339 1.141 20 5 CDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1 ZINC000235327084 278815002 /nfs/dbraw/zinc/81/50/02/278815002.db2.gz BYBJJHRLYRUXBD-SFYZADRCSA-N 0 3 270.720 1.830 20 5 CDBDHN C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000262701847 279037054 /nfs/dbraw/zinc/03/70/54/279037054.db2.gz AVYLCYVMJPKSOT-YUMQZZPRSA-N 0 3 269.326 1.479 20 5 CDBDHN C[C@@H]1[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCCN1C ZINC000447684585 279090154 /nfs/dbraw/zinc/09/01/54/279090154.db2.gz BTOPQCNJLSSIRE-KOLCDFICSA-N 0 3 289.339 1.788 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCN(C3CC3)C2)nc1 ZINC000040454707 279142460 /nfs/dbraw/zinc/14/24/60/279142460.db2.gz RJQBWJBGKUHNIB-SECBINFHSA-N 0 3 263.301 1.281 20 5 CDBDHN COC[C@@H](CCO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532516505 281994144 /nfs/dbraw/zinc/99/41/44/281994144.db2.gz BYSYFAGXFZHZDP-NWDGAFQWSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@H](C(=O)N(C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000569171042 294169206 /nfs/dbraw/zinc/16/92/06/294169206.db2.gz NANJYZHGFHZSSU-NSHDSACASA-N 0 3 279.340 1.718 20 5 CDBDHN Cc1c(NC(=O)[C@H](C)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000226409832 525855596 /nfs/dbraw/zinc/85/55/96/525855596.db2.gz DFXPAVQTVXEZSM-NSHDSACASA-N 0 3 292.339 1.135 20 5 CDBDHN O=[N+]([O-])c1ccc(CCNC[C@H](O)C(F)(F)F)cc1 ZINC000068879463 527347407 /nfs/dbraw/zinc/34/74/07/527347407.db2.gz SUBSBSRSGLMFAK-JTQLQIEISA-N 0 3 278.230 1.650 20 5 CDBDHN CC(C)CCO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000177373988 527769054 /nfs/dbraw/zinc/76/90/54/527769054.db2.gz HFKKVEKWZBLIHW-CYBMUJFWSA-N 0 3 296.371 1.928 20 5 CDBDHN C[C@@H](CC(N)=O)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526404 576580833 /nfs/dbraw/zinc/58/08/33/576580833.db2.gz BNKDECOHKUIBJC-ZETCQYMHSA-N 0 3 271.704 1.602 20 5 CDBDHN CCN(CCC(=O)NC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000933867303 617708732 /nfs/dbraw/zinc/70/87/32/617708732.db2.gz NEEDCPQXBROANK-UHFFFAOYSA-N 0 3 295.339 1.561 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000894041457 618284191 /nfs/dbraw/zinc/28/41/91/618284191.db2.gz CEXPDVSCJKPHOI-KOLCDFICSA-N 0 3 296.323 1.824 20 5 CDBDHN COc1c(O)ccc(CN[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000894524060 618939133 /nfs/dbraw/zinc/93/91/33/618939133.db2.gz TVBJCQNCJCCPMN-SNVBAGLBSA-N 0 3 282.296 1.578 20 5 CDBDHN O=[N+]([O-])CCNCCCc1nc2c(s1)CCCC2 ZINC000905087179 626603666 /nfs/dbraw/zinc/60/36/66/626603666.db2.gz DYYRQVPOTRFEEV-UHFFFAOYSA-N 0 3 269.370 1.821 20 5 CDBDHN CN(C)[C@H](CNCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000905055744 626605628 /nfs/dbraw/zinc/60/56/28/626605628.db2.gz RNXZQZQZDSZFOT-GFCCVEGCSA-N 0 3 255.293 1.295 20 5 CDBDHN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NCC[N+](=O)[O-] ZINC000905104830 626621797 /nfs/dbraw/zinc/62/17/97/626621797.db2.gz HRRZUBOASYRDCK-NSHDSACASA-N 0 3 289.376 1.792 20 5 CDBDHN COc1cc(CCNCC[N+](=O)[O-])ccc1Cl ZINC000905273654 626729542 /nfs/dbraw/zinc/72/95/42/626729542.db2.gz LNDFXUGOTURDGV-UHFFFAOYSA-N 0 3 258.705 1.757 20 5 CDBDHN CC[C@](N)(CO)N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315372 1162334874 /nfs/dbraw/zinc/33/48/74/1162334874.db2.gz XJDKDCGADAVDLH-IINYFYTJSA-N 0 3 297.355 1.181 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](N)CC1CC1 ZINC000312719733 844773445 /nfs/dbraw/zinc/77/34/45/844773445.db2.gz FJLUTUZTFLSFJM-LBPRGKRZSA-N 0 3 277.324 1.681 20 5 CDBDHN CC(COC(=O)CCNC(=O)c1cccs1)[N+](=O)[O-] ZINC000813104206 844951282 /nfs/dbraw/zinc/95/12/82/844951282.db2.gz YAJAAOQRBOPLSK-QMMMGPOBSA-N 0 3 286.309 1.076 20 5 CDBDHN C[C@@H]1CSC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886202759 844959999 /nfs/dbraw/zinc/95/99/99/844959999.db2.gz DOYJVOUKCZAKRJ-PSASIEDQSA-N 0 3 253.327 1.831 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](C3OCCO3)C2)cc1 ZINC000719068818 845031740 /nfs/dbraw/zinc/03/17/40/845031740.db2.gz VYJBKPMMAKMANM-GFCCVEGCSA-N 0 3 278.308 1.790 20 5 CDBDHN C[C@@H]1[C@@H](CO)CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672375 846182591 /nfs/dbraw/zinc/18/25/91/846182591.db2.gz FTQFZHKQMABCGW-UXIGCNINSA-N 0 3 294.351 1.721 20 5 CDBDHN CC(COC(=O)[C@H](C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000842364595 846438560 /nfs/dbraw/zinc/43/85/60/846438560.db2.gz ZHDDHVKCEHOMEH-YUMQZZPRSA-N 0 3 261.274 1.173 20 5 CDBDHN O=C(/C=C/C1CC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125236964 936357883 /nfs/dbraw/zinc/35/78/83/936357883.db2.gz MVVCSJIDJPVEKA-VOTSOKGWSA-N 0 3 289.335 1.767 20 5 CDBDHN COc1cccnc1CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978616 927566617 /nfs/dbraw/zinc/56/66/17/927566617.db2.gz SUPHCFUOWKYYHR-WDEREUQCSA-N 0 3 265.313 1.625 20 5 CDBDHN NCc1ccc2c(n1)N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001168979256 927567373 /nfs/dbraw/zinc/56/73/73/927567373.db2.gz XVJONHHWGNNROZ-SMDDNHRTSA-N 0 3 290.367 1.738 20 5 CDBDHN O=C1NCc2ccccc2[C@@H]1N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168981307 927569082 /nfs/dbraw/zinc/56/90/82/927569082.db2.gz HGFZXZFDSHMAHU-QKCSRTOESA-N 0 3 289.335 1.393 20 5 CDBDHN C[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1=O ZINC001169006740 927610826 /nfs/dbraw/zinc/61/08/26/927610826.db2.gz JFWTZBWIPKLVRN-IJLUTSLNSA-N 0 3 254.330 1.733 20 5 CDBDHN CN(Cc1cnccn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037452 927647231 /nfs/dbraw/zinc/64/72/31/927647231.db2.gz RXABYTJUFFMNAO-PWSUYJOCSA-N 0 3 250.302 1.354 20 5 CDBDHN C[C@H](N)c1ccn(-c2ncnc3[nH]cc([N+](=O)[O-])c32)n1 ZINC001169230856 927837246 /nfs/dbraw/zinc/83/72/46/927837246.db2.gz WTHUJDJSJGMKBF-LURJTMIESA-N 0 3 273.256 1.072 20 5 CDBDHN Nc1nc(N2CCN[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001157764833 938542763 /nfs/dbraw/zinc/54/27/63/938542763.db2.gz ICFFVSCFDPUXDM-LBPRGKRZSA-N 0 3 299.334 1.723 20 5 CDBDHN O=[N+]([O-])c1c2[nH]cnc2ccc1N[C@H]1CN2CCC1CC2 ZINC001163395118 939262011 /nfs/dbraw/zinc/26/20/11/939262011.db2.gz NBTFGFJXRSMTOB-LBPRGKRZSA-N 0 3 287.323 1.977 20 5 CDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N2CC(C)(N(C)C)C2)n1 ZINC001165116929 939511593 /nfs/dbraw/zinc/51/15/93/939511593.db2.gz NDRQTWFOWFFROG-UHFFFAOYSA-N 0 3 285.735 1.487 20 5 CDBDHN CN(C)C1(C)CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001165116661 939511621 /nfs/dbraw/zinc/51/16/21/939511621.db2.gz IBZMZWALXYBDOD-UHFFFAOYSA-N 0 3 270.720 1.784 20 5 CDBDHN O=[N+]([O-])c1cc2ccccc2nc1-n1ncc2c1CCNC2 ZINC001165219666 939526979 /nfs/dbraw/zinc/52/69/79/939526979.db2.gz CPGGRIWKKHYIIA-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000400987677 940862337 /nfs/dbraw/zinc/86/23/37/940862337.db2.gz ZHKZXKFDGZUEFF-ZWNOBZJWSA-N 0 3 279.340 1.975 20 5 CDBDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000400987181 940862463 /nfs/dbraw/zinc/86/24/63/940862463.db2.gz ZGDSLFKIMKIBMM-GXFFZTMASA-N 0 3 279.340 1.975 20 5 CDBDHN Cc1cc2nc(O[C@H]3CC[NH2+]C3)[n-]c2cc1[N+](=O)[O-] ZINC001218181162 941042497 /nfs/dbraw/zinc/04/24/97/941042497.db2.gz DAIVIUAGBBSGSR-QMMMGPOBSA-N 0 3 262.269 1.520 20 5 CDBDHN Cc1cc2[n-]c(O[C@H]3CC[NH2+]C3)nc2cc1[N+](=O)[O-] ZINC001218181162 941042500 /nfs/dbraw/zinc/04/25/00/941042500.db2.gz DAIVIUAGBBSGSR-QMMMGPOBSA-N 0 3 262.269 1.520 20 5 CDBDHN COc1cc(OCCN2CC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC001225440805 941859911 /nfs/dbraw/zinc/85/99/11/941859911.db2.gz HTQHAKXCNQDJFK-GFCCVEGCSA-N 0 3 296.323 1.703 20 5 CDBDHN COCCN1CCC(Oc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC001227063073 942123880 /nfs/dbraw/zinc/12/38/80/942123880.db2.gz ZQJPIDUQRHTAAO-UHFFFAOYSA-N 0 3 295.339 1.788 20 5 CDBDHN COC(=O)c1ccc(O[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001234049508 943728369 /nfs/dbraw/zinc/72/83/69/943728369.db2.gz YDVKZARGPSFAMN-JTQLQIEISA-N 0 3 280.280 1.464 20 5 CDBDHN CC(COC(=O)c1cc(=O)n(C)c2ccccc12)[N+](=O)[O-] ZINC001263475609 943863345 /nfs/dbraw/zinc/86/33/45/943863345.db2.gz PQOICYZAEPJXBJ-SECBINFHSA-N 0 3 290.275 1.361 20 5 CDBDHN NCc1cn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254566466 947528760 /nfs/dbraw/zinc/52/87/60/947528760.db2.gz KIVQXAKUQFDFIZ-ZDUSSCGKSA-N 0 3 258.281 1.590 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[C@@H](F)[C@H](O)C1)C2 ZINC001254593153 947543922 /nfs/dbraw/zinc/54/39/22/947543922.db2.gz JMLMZPFUKTUSML-BFHYXJOUSA-N 0 3 280.299 1.467 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCc3nccn3CC1)C2 ZINC001254605503 947553913 /nfs/dbraw/zinc/55/39/13/947553913.db2.gz ANBVDEYWKRCQNR-HNNXBMFYSA-N 0 3 298.346 1.817 20 5 CDBDHN N[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603305 948338869 /nfs/dbraw/zinc/33/88/69/948338869.db2.gz YLJFOWHDSBKELK-IVZWLZJFSA-N 0 3 263.288 1.100 20 5 CDBDHN Cc1nn(CN2CCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001320041595 958891588 /nfs/dbraw/zinc/89/15/88/958891588.db2.gz QMLACBHGZJHBKA-UHFFFAOYSA-N 0 3 281.360 1.473 20 5 CDBDHN CC[C@@H](N)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001341740209 963525421 /nfs/dbraw/zinc/52/54/21/963525421.db2.gz NBQZHIOOACJIEN-LDYMZIIASA-N 0 3 251.286 1.509 20 5 CDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001343430833 963982471 /nfs/dbraw/zinc/98/24/71/963982471.db2.gz LMSHNFQZJFAJMU-ZETCQYMHSA-N 0 3 283.240 1.459 20 5 CDBDHN CC(COC(=O)Cc1ccn(CC(F)(F)F)n1)[N+](=O)[O-] ZINC001343664019 964084365 /nfs/dbraw/zinc/08/43/65/964084365.db2.gz OAHWQCUQNIIPOJ-SSDOTTSWSA-N 0 3 295.217 1.196 20 5 CDBDHN CC(COC(=O)[C@@]1(C)CCOc2ccccc21)[N+](=O)[O-] ZINC001344809724 964438576 /nfs/dbraw/zinc/43/85/76/964438576.db2.gz YCKYPMBNCQNGGE-YGRLFVJLSA-N 0 3 279.292 1.935 20 5 CDBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000273976830 398136146 /nfs/dbraw/zinc/13/61/46/398136146.db2.gz PZYLEYFFJMPLTE-DTWKUNHWSA-N 0 3 263.301 1.422 20 5 CDBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])cn1C)C1CC1 ZINC000608789714 342048016 /nfs/dbraw/zinc/04/80/16/342048016.db2.gz GUTZFQKOTDRUCO-UHFFFAOYSA-N 0 3 280.328 1.147 20 5 CDBDHN C[C@]1(O)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000125008626 187165751 /nfs/dbraw/zinc/16/57/51/187165751.db2.gz NQLATRPDZOIERG-AWEZNQCLSA-N 0 3 280.324 1.820 20 5 CDBDHN CCCN(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000047496460 342101460 /nfs/dbraw/zinc/10/14/60/342101460.db2.gz DWBVGYFROSTRQU-UHFFFAOYSA-N 0 3 268.313 1.678 20 5 CDBDHN CC1(C)CNCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000591678046 342641554 /nfs/dbraw/zinc/64/15/54/342641554.db2.gz HKWNIXJFWMDPRZ-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN COc1cccc(C(=O)N2CCCNCC2)c1[N+](=O)[O-] ZINC000592287596 342683613 /nfs/dbraw/zinc/68/36/13/342683613.db2.gz XQZTXMATNQSSDC-UHFFFAOYSA-N 0 3 279.296 1.039 20 5 CDBDHN C[C@@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000593404916 342791636 /nfs/dbraw/zinc/79/16/36/342791636.db2.gz YRVPXXKGPLUHLL-VIFPVBQESA-N 0 3 283.303 1.343 20 5 CDBDHN Cc1[nH]nc(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593884667 342844657 /nfs/dbraw/zinc/84/46/57/342844657.db2.gz WFLFSHKNSFPDAM-UHFFFAOYSA-N 0 3 295.343 1.184 20 5 CDBDHN Cc1n[nH]c(C(=O)N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593884667 342844659 /nfs/dbraw/zinc/84/46/59/342844659.db2.gz WFLFSHKNSFPDAM-UHFFFAOYSA-N 0 3 295.343 1.184 20 5 CDBDHN C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000042506800 342262406 /nfs/dbraw/zinc/26/24/06/342262406.db2.gz LNQDUIACHQPXHN-GFCCVEGCSA-N 0 3 291.351 1.738 20 5 CDBDHN Cn1c(C(=O)NC[C@@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000609383235 342264432 /nfs/dbraw/zinc/26/44/32/342264432.db2.gz QLSNCGJLIVZQMT-JTQLQIEISA-N 0 3 280.328 1.005 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CNCCCCCO)OCCO2 ZINC000619199913 349650402 /nfs/dbraw/zinc/65/04/02/349650402.db2.gz PIKSVLDIHOZASH-UHFFFAOYSA-N 0 3 296.323 1.618 20 5 CDBDHN C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N(C)C ZINC000342909042 362016612 /nfs/dbraw/zinc/01/66/12/362016612.db2.gz WTAOHBOVCBMCKA-VIFPVBQESA-N 0 3 290.323 1.756 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cnc[nH]1 ZINC000595595394 343113749 /nfs/dbraw/zinc/11/37/49/343113749.db2.gz GKVAOJHSOXLDHA-UHFFFAOYSA-N 0 3 260.297 1.992 20 5 CDBDHN C[NH+](C)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCOCC1 ZINC000596128238 343237787 /nfs/dbraw/zinc/23/77/87/343237787.db2.gz KOCCDVFAQUTBJG-UHFFFAOYSA-N 0 3 296.327 1.218 20 5 CDBDHN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596231470 343261622 /nfs/dbraw/zinc/26/16/22/343261622.db2.gz JORQUIIQJDEENQ-WDEREUQCSA-N 0 3 292.339 1.758 20 5 CDBDHN CC(C)N(CCN(C)C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596219651 343269819 /nfs/dbraw/zinc/26/98/19/343269819.db2.gz UPCLUEYBAIEMAP-UHFFFAOYSA-N 0 3 294.355 1.470 20 5 CDBDHN CCN1CCCN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000596270276 343281609 /nfs/dbraw/zinc/28/16/09/343281609.db2.gz YEORKBLCKABMJF-SNVBAGLBSA-N 0 3 267.333 1.249 20 5 CDBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596447837 343323974 /nfs/dbraw/zinc/32/39/74/343323974.db2.gz VPIZEFXSFRMQRJ-SECBINFHSA-N 0 3 280.328 1.526 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457218938 365770815 /nfs/dbraw/zinc/77/08/15/365770815.db2.gz JGJUBVDKXYIQEN-UHFFFAOYSA-N 0 3 265.313 1.665 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])s1 ZINC000249104796 362255342 /nfs/dbraw/zinc/25/53/42/362255342.db2.gz WYGVPARGQQQKDT-RKDXNWHRSA-N 0 3 270.358 1.828 20 5 CDBDHN CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599985389 344159869 /nfs/dbraw/zinc/15/98/69/344159869.db2.gz DOZSIHAJLIABKB-UHFFFAOYSA-N 0 3 295.343 1.183 20 5 CDBDHN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000599985389 344159871 /nfs/dbraw/zinc/15/98/71/344159871.db2.gz DOZSIHAJLIABKB-UHFFFAOYSA-N 0 3 295.343 1.183 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCSCCN(C)C ZINC000601912391 344279196 /nfs/dbraw/zinc/27/91/96/344279196.db2.gz KUGACSVBPYLKCL-UHFFFAOYSA-N 0 3 258.347 1.395 20 5 CDBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601964342 344297846 /nfs/dbraw/zinc/29/78/46/344297846.db2.gz NRLROKWCXMPECN-CYBMUJFWSA-N 0 3 290.323 1.284 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN[C@H](CO)CC(F)F)cc1 ZINC000602636482 344510233 /nfs/dbraw/zinc/51/02/33/344510233.db2.gz IMIZVIQOMWZACK-JTQLQIEISA-N 0 3 274.267 1.743 20 5 CDBDHN CC[C@@H](O)[C@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780774 344596442 /nfs/dbraw/zinc/59/64/42/344596442.db2.gz RTIOFZZNQLDDEM-CHWSQXEVSA-N 0 3 296.371 1.725 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(OC(C)C)CC1 ZINC000602774726 344577817 /nfs/dbraw/zinc/57/78/17/344577817.db2.gz ADZQIMGMDKCDDU-UHFFFAOYSA-N 0 3 296.371 1.989 20 5 CDBDHN CSC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602921665 344651040 /nfs/dbraw/zinc/65/10/40/344651040.db2.gz WTEIIYLRFMEJLD-UHFFFAOYSA-N 0 3 284.385 1.927 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CSCCN1 ZINC000603420624 344799660 /nfs/dbraw/zinc/79/96/60/344799660.db2.gz VCZNNQLFXNGGRQ-VIFPVBQESA-N 0 3 271.317 1.851 20 5 CDBDHN CC[C@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000609839871 346005599 /nfs/dbraw/zinc/00/55/99/346005599.db2.gz FPQHLWUVFAOVBT-SECBINFHSA-N 0 3 280.332 1.084 20 5 CDBDHN CCC[C@H](N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000228890993 140198339 /nfs/dbraw/zinc/19/83/39/140198339.db2.gz QJURNHUOSUNXCX-VIFPVBQESA-N 0 3 267.285 1.669 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266069698 362712429 /nfs/dbraw/zinc/71/24/29/362712429.db2.gz KEJFOQMZUVWNTA-GXSJLCMTSA-N 0 3 280.328 1.335 20 5 CDBDHN CC[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766544 346368097 /nfs/dbraw/zinc/36/80/97/346368097.db2.gz QNTLMENDYYIIBQ-LDYMZIIASA-N 0 3 251.286 1.509 20 5 CDBDHN C[C@H](O)CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618969394 348405203 /nfs/dbraw/zinc/40/52/03/348405203.db2.gz QBBPROWESNKFIY-JTQLQIEISA-N 0 3 296.323 1.617 20 5 CDBDHN COc1ccc(CN(C)CC2CC(O)C2)cc1[N+](=O)[O-] ZINC000091499378 180173632 /nfs/dbraw/zinc/17/36/32/180173632.db2.gz DCUYYDTZPOTULN-UHFFFAOYSA-N 0 3 280.324 1.806 20 5 CDBDHN C[C@H]1CCN[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000127089574 356267319 /nfs/dbraw/zinc/26/73/19/356267319.db2.gz LJFQSODOXPOKKK-JQWIXIFHSA-N 0 3 277.324 1.599 20 5 CDBDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659665 192250788 /nfs/dbraw/zinc/25/07/88/192250788.db2.gz VVBZDHICHWPFSN-WDEREUQCSA-N 0 3 279.344 1.917 20 5 CDBDHN CCCN(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136812771 366294545 /nfs/dbraw/zinc/29/45/45/366294545.db2.gz SHMDXNXAUGXQDU-CYBMUJFWSA-N 0 3 268.313 1.333 20 5 CDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000274499467 356685157 /nfs/dbraw/zinc/68/51/57/356685157.db2.gz RRRFOZNHAROMEO-LBPRGKRZSA-N 0 3 293.371 1.428 20 5 CDBDHN COCCNCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261868912 357337133 /nfs/dbraw/zinc/33/71/33/357337133.db2.gz YSNWFNVXEQLSCB-UHFFFAOYSA-N 0 3 297.340 1.247 20 5 CDBDHN CN1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000311652978 357434909 /nfs/dbraw/zinc/43/49/09/357434909.db2.gz FCZCQYCCFUYJFL-UHFFFAOYSA-N 0 3 267.304 1.871 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)c(F)c1 ZINC000360763374 357683634 /nfs/dbraw/zinc/68/36/34/357683634.db2.gz JVEABCRBXUKZFS-NEPJUHHUSA-N 0 3 298.314 1.469 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000188671118 357924015 /nfs/dbraw/zinc/92/40/15/357924015.db2.gz JJOSOQDSVNGKSU-ZMLRMANQSA-N 0 3 295.314 1.780 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CC[C@@H](O)C1 ZINC000188833787 357943043 /nfs/dbraw/zinc/94/30/43/357943043.db2.gz STNINQOWCIWBDE-CMPLNLGQSA-N 0 3 250.298 1.845 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2C)n1 ZINC000225807759 358091949 /nfs/dbraw/zinc/09/19/49/358091949.db2.gz JEDUIFKRRKRUBN-SECBINFHSA-N 0 3 294.311 1.283 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)CC(C)(C)C ZINC000451774918 359078071 /nfs/dbraw/zinc/07/80/71/359078071.db2.gz CDXUPOCWFWNRBL-LLVKDONJSA-N 0 3 284.360 1.520 20 5 CDBDHN C[C@H](C(=O)NCCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000514822742 360234687 /nfs/dbraw/zinc/23/46/87/360234687.db2.gz ZMEPVKHANJBJNU-NSHDSACASA-N 0 3 291.351 1.909 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1c([N+](=O)[O-])ncn1C ZINC000408393343 360786859 /nfs/dbraw/zinc/78/68/59/360786859.db2.gz LNCGNOLXBDSHRR-MNOVXSKESA-N 0 3 279.344 1.391 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000053284114 361541207 /nfs/dbraw/zinc/54/12/07/361541207.db2.gz DSCRCNAQIAREFE-UHFFFAOYSA-N 0 3 293.323 1.429 20 5 CDBDHN CC(C)(CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000457036266 365278381 /nfs/dbraw/zinc/27/83/81/365278381.db2.gz PYCSBHBJCHQDQZ-UHFFFAOYSA-N 0 3 281.312 1.792 20 5 CDBDHN CC[C@H]1CCCCN1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548419861 366904050 /nfs/dbraw/zinc/90/40/50/366904050.db2.gz UOGNUUSMKIPOFF-JTQLQIEISA-N 0 3 295.343 1.312 20 5 CDBDHN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCCNCC1 ZINC000269135833 367322863 /nfs/dbraw/zinc/32/28/63/367322863.db2.gz QIEFQCCKOHLQRM-UHFFFAOYSA-N 0 3 283.715 1.684 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000272591215 367778983 /nfs/dbraw/zinc/77/89/83/367778983.db2.gz PMHKAIXIHLMNNX-NWDGAFQWSA-N 0 3 291.351 1.736 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000276009630 193187201 /nfs/dbraw/zinc/18/72/01/193187201.db2.gz PTQMPYCYTQNRBF-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN CCN1CCC(N(C)C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330626512 203055076 /nfs/dbraw/zinc/05/50/76/203055076.db2.gz IYDACKIKJSFVDS-UHFFFAOYSA-N 0 3 295.343 1.183 20 5 CDBDHN CCN1CCC(N(C)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000330626512 203055078 /nfs/dbraw/zinc/05/50/78/203055078.db2.gz IYDACKIKJSFVDS-UHFFFAOYSA-N 0 3 295.343 1.183 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000276053422 193199589 /nfs/dbraw/zinc/19/95/89/193199589.db2.gz UOOZBEHDUFFDNU-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN[C@@H](C)C1 ZINC000420342668 244116625 /nfs/dbraw/zinc/11/66/25/244116625.db2.gz XSHVHWNDSWIDAM-QWRGUYRKSA-N 0 3 292.339 1.216 20 5 CDBDHN COc1ccc(OCCN2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000351836723 369784881 /nfs/dbraw/zinc/78/48/81/369784881.db2.gz WYMHDTRBZSWPJN-MFKMUULPSA-N 0 3 296.323 1.295 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000224047612 373365990 /nfs/dbraw/zinc/36/59/90/373365990.db2.gz JRUVKWFUEUOJDX-SNVBAGLBSA-N 0 3 278.312 1.001 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810237 373399846 /nfs/dbraw/zinc/39/98/46/373399846.db2.gz LXRLTPBMAIVMPE-ZWNOBZJWSA-N 0 3 279.340 1.927 20 5 CDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352129269 373510028 /nfs/dbraw/zinc/51/00/28/373510028.db2.gz OVPZJPHMKDHWNA-CQSZACIVSA-N 0 3 295.339 1.027 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N(C)C ZINC000298339818 373518912 /nfs/dbraw/zinc/51/89/12/373518912.db2.gz IIAIUJHCWUYDJA-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN CC[C@H](NC[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154340801 374697699 /nfs/dbraw/zinc/69/76/99/374697699.db2.gz VUKCWGFDSVDNPU-KBPBESRZSA-N 0 3 281.356 1.558 20 5 CDBDHN COCCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000299263490 374654164 /nfs/dbraw/zinc/65/41/64/374654164.db2.gz JACDLQZDRUVFPL-UHFFFAOYSA-N 0 3 268.313 1.942 20 5 CDBDHN Cc1c(CN[C@@H](CO)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447920939 374723864 /nfs/dbraw/zinc/72/38/64/374723864.db2.gz YQEQATHKKNNJQC-GXTWGEPZSA-N 0 3 280.324 1.533 20 5 CDBDHN C[C@H]1CN(CCCNc2ncccc2[N+](=O)[O-])CCCO1 ZINC000278209326 374835215 /nfs/dbraw/zinc/83/52/15/374835215.db2.gz RDFZTQTWZVWDEC-LBPRGKRZSA-N 0 3 294.355 1.903 20 5 CDBDHN O=[N+]([O-])c1cnc2c(c1)CN(CC[C@@H]1CCCO1)CC2 ZINC000332118924 375006434 /nfs/dbraw/zinc/00/64/34/375006434.db2.gz DFHSBVFFYCIJAC-ZDUSSCGKSA-N 0 3 277.324 1.917 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC1(CO)COC1 ZINC000344804165 375453984 /nfs/dbraw/zinc/45/39/84/375453984.db2.gz CFHPGZZBKBKBCZ-XGICHPGQSA-N 0 3 292.335 1.597 20 5 CDBDHN C[C@H](O)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000162836420 375529347 /nfs/dbraw/zinc/52/93/47/375529347.db2.gz FYFUVYQAAYWIFJ-QWRGUYRKSA-N 0 3 250.298 1.798 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)C1(CCO)CCOCC1 ZINC000352995800 375561184 /nfs/dbraw/zinc/56/11/84/375561184.db2.gz COZXFJVKPFUSCN-UHFFFAOYSA-N 0 3 294.351 1.958 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCCN1C ZINC000345166586 377404424 /nfs/dbraw/zinc/40/44/24/377404424.db2.gz SQUNEEYHRCNZNN-UWVGGRQHSA-N 0 3 293.327 1.016 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000245959588 379368657 /nfs/dbraw/zinc/36/86/57/379368657.db2.gz UPDWYDZJAYOLCM-VXGBXAGGSA-N 0 3 279.340 1.734 20 5 CDBDHN CN(C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450384627 251256422 /nfs/dbraw/zinc/25/64/22/251256422.db2.gz CAMOYNYCXFCXAA-LBPRGKRZSA-N 0 3 280.328 1.147 20 5 CDBDHN CC(C)[C@H](CO)[C@@H](NCc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000451589758 251763076 /nfs/dbraw/zinc/76/30/76/251763076.db2.gz ASYPCQXCDCAFDT-AAEUAGOBSA-N 0 3 298.387 1.707 20 5 CDBDHN CN1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000048909445 390465148 /nfs/dbraw/zinc/46/51/48/390465148.db2.gz ZBQWCLFQETZTEB-JTQLQIEISA-N 0 3 264.285 1.420 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)c2ncc([N+](=O)[O-])s2)C1 ZINC000450951949 390582992 /nfs/dbraw/zinc/58/29/92/390582992.db2.gz GWMRQCZIPFBSEG-SECBINFHSA-N 0 3 270.358 1.970 20 5 CDBDHN C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190342870 130092621 /nfs/dbraw/zinc/09/26/21/130092621.db2.gz QIYFIGWYJIMCSQ-BXUZGUMPSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H]1CSCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000190439944 130104615 /nfs/dbraw/zinc/10/46/15/130104615.db2.gz DKFWVERLCHJCKH-JTQLQIEISA-N 0 3 270.358 1.476 20 5 CDBDHN CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000487060942 391868351 /nfs/dbraw/zinc/86/83/51/391868351.db2.gz QPHICNCMIDAXMF-LBPRGKRZSA-N 0 3 264.329 1.766 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C(F)F ZINC000449176775 392017464 /nfs/dbraw/zinc/01/74/64/392017464.db2.gz ULLKKZMGNZZAAP-KWQFWETISA-N 0 3 274.267 1.741 20 5 CDBDHN CCN1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000226770652 130831701 /nfs/dbraw/zinc/83/17/01/130831701.db2.gz LLDKQEVOIZJBDL-UHFFFAOYSA-N 0 3 256.331 1.948 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN(CCOCC3CC3)CC2)n1 ZINC000488733892 392723245 /nfs/dbraw/zinc/72/32/45/392723245.db2.gz MUCODZODGXZQSM-UHFFFAOYSA-N 0 3 294.355 1.855 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@H]2CCc3nnnn3CC2)cs1 ZINC000421395433 392935153 /nfs/dbraw/zinc/93/51/53/392935153.db2.gz INYLGSBYYZPJHN-VIFPVBQESA-N 0 3 294.340 1.138 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000525103793 392920903 /nfs/dbraw/zinc/92/09/03/392920903.db2.gz QXIMAYQOKBCRQL-VHSXEESVSA-N 0 3 280.328 1.146 20 5 CDBDHN Cc1c(CC(=O)N2CCN[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423622901 392965782 /nfs/dbraw/zinc/96/57/82/392965782.db2.gz ZQHIYMANGSLCDJ-NEPJUHHUSA-N 0 3 291.351 1.655 20 5 CDBDHN CC[C@]1(O)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000425924686 393031349 /nfs/dbraw/zinc/03/13/49/393031349.db2.gz VZAKYEIAQVTIQD-AWEZNQCLSA-N 0 3 280.324 1.820 20 5 CDBDHN Cc1cccc(C(=O)N[C@H]2CNCCC2(F)F)c1[N+](=O)[O-] ZINC000449658745 393137566 /nfs/dbraw/zinc/13/75/66/393137566.db2.gz UHJIXYCZECZMKZ-JTQLQIEISA-N 0 3 299.277 1.630 20 5 CDBDHN CC[C@@H](O)[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176240485 148030874 /nfs/dbraw/zinc/03/08/74/148030874.db2.gz XQDSIUAUDVHZIQ-VXGBXAGGSA-N 0 3 282.344 1.417 20 5 CDBDHN CCn1cc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000181445562 148201111 /nfs/dbraw/zinc/20/11/11/148201111.db2.gz UDTVCZHIYAKFHZ-SNVBAGLBSA-N 0 3 278.316 1.359 20 5 CDBDHN N[C@H](CC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000311019150 149207622 /nfs/dbraw/zinc/20/76/22/149207622.db2.gz NSVWESGIRPDGCM-MRVPVSSYSA-N 0 3 259.212 1.516 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)C ZINC000346183414 153088072 /nfs/dbraw/zinc/08/80/72/153088072.db2.gz CVZBHKDVDBNSFH-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000359059625 158114685 /nfs/dbraw/zinc/11/46/85/158114685.db2.gz HCOCCCWMZOXAJS-SNVBAGLBSA-N 0 3 292.339 1.670 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCN(C3CC3)C2)c1 ZINC000044685239 175231312 /nfs/dbraw/zinc/23/13/12/175231312.db2.gz NCCXXPYLBLXXLX-GFCCVEGCSA-N 0 3 261.325 1.921 20 5 CDBDHN CCOC(=O)c1ccnc(NCCN(C)CC)c1[N+](=O)[O-] ZINC000077935909 177311717 /nfs/dbraw/zinc/31/17/17/177311717.db2.gz OSEGQLGCYADCDQ-UHFFFAOYSA-N 0 3 296.327 1.530 20 5 CDBDHN Cc1ccnc(NC[C@H]2CN3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000078835327 177396035 /nfs/dbraw/zinc/39/60/35/177396035.db2.gz ZELXOTZYJFOEAR-NEPJUHHUSA-N 0 3 292.339 1.573 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000273976836 274395185 /nfs/dbraw/zinc/39/51/85/274395185.db2.gz PZYLEYFFJMPLTE-RKDXNWHRSA-N 0 3 263.301 1.422 20 5 CDBDHN CCN(CCNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000263694981 276125620 /nfs/dbraw/zinc/12/56/20/276125620.db2.gz HQFWWGRYWFHFGO-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN CCc1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000237135899 276665928 /nfs/dbraw/zinc/66/59/28/276665928.db2.gz GJSDFCRDPCHQGN-UHFFFAOYSA-N 0 3 277.324 1.593 20 5 CDBDHN CC(C)CCO[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000083246915 279247611 /nfs/dbraw/zinc/24/76/11/279247611.db2.gz FOXHBEBDICTVEO-CQSZACIVSA-N 0 3 296.371 1.928 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000558032957 290378656 /nfs/dbraw/zinc/37/86/56/290378656.db2.gz LFNWBBCNFFCLGU-CQSZACIVSA-N 0 3 292.339 1.101 20 5 CDBDHN COc1ccc(CNCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000020557069 323206964 /nfs/dbraw/zinc/20/69/64/323206964.db2.gz LAQZKZXXDZVSRH-UHFFFAOYSA-N 0 3 295.339 1.025 20 5 CDBDHN CCOCCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182382109 519904286 /nfs/dbraw/zinc/90/42/86/519904286.db2.gz IGKBPGMDTNNYPW-LBPRGKRZSA-N 0 3 298.339 1.303 20 5 CDBDHN CCN(CCO)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000184589941 521106998 /nfs/dbraw/zinc/10/69/98/521106998.db2.gz KCMOSATXFBXNQJ-UHFFFAOYSA-N 0 3 296.327 1.031 20 5 CDBDHN COC(=O)[C@@H](C)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000338422704 523501729 /nfs/dbraw/zinc/50/17/29/523501729.db2.gz RDUJXKJOYDQLJT-NSHDSACASA-N 0 3 296.323 1.715 20 5 CDBDHN C[C@H](Cn1cccn1)NCc1cccc([N+](=O)[O-])c1 ZINC000035272179 524779701 /nfs/dbraw/zinc/77/97/01/524779701.db2.gz MGMYKUYNAZWSFU-LLVKDONJSA-N 0 3 260.297 1.970 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186826343 524958018 /nfs/dbraw/zinc/95/80/18/524958018.db2.gz KXYDZGSUYFLPRT-YPMHNXCESA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H](NCCN1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245468012 525448220 /nfs/dbraw/zinc/44/82/20/525448220.db2.gz STJIMPVXQHVUOG-CHWSQXEVSA-N 0 3 293.367 1.966 20 5 CDBDHN CCN(CC)CCOC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000772052504 575655654 /nfs/dbraw/zinc/65/56/54/575655654.db2.gz MPYITWMFARBLHY-UHFFFAOYSA-N 0 3 298.343 1.375 20 5 CDBDHN C[C@H]1CCCN1CCNc1ncc([N+](=O)[O-])cn1 ZINC000760552833 576492973 /nfs/dbraw/zinc/49/29/73/576492973.db2.gz ROXFVZSOVQEDHD-VIFPVBQESA-N 0 3 251.290 1.281 20 5 CDBDHN Cc1cc(C(=O)NCCN2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000749335858 576943664 /nfs/dbraw/zinc/94/36/64/576943664.db2.gz SEIFXNNSBZVOPV-UHFFFAOYSA-N 0 3 292.339 1.311 20 5 CDBDHN C[C@H](CN1CCCCC1)Nc1c([N+](=O)[O-])cnn1C ZINC000891792781 617593198 /nfs/dbraw/zinc/59/31/98/617593198.db2.gz LUFPFAPTKJSYAV-SNVBAGLBSA-N 0 3 267.333 1.615 20 5 CDBDHN CC(COC(=O)[C@H]1CCN(C)c2ccccc21)[N+](=O)[O-] ZINC000893045457 618093405 /nfs/dbraw/zinc/09/34/05/618093405.db2.gz XSVVIRHBINXVIS-PWSUYJOCSA-N 0 3 278.308 1.819 20 5 CDBDHN Cc1cnc(N2CC[C@@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941784 618204909 /nfs/dbraw/zinc/20/49/09/618204909.db2.gz WJLWHXJKOVEHGG-PWSUYJOCSA-N 0 3 262.313 1.439 20 5 CDBDHN COc1c(O)ccc(CNC[C@@H]2CC[C@H](C)O2)c1[N+](=O)[O-] ZINC000894815951 619072320 /nfs/dbraw/zinc/07/23/20/619072320.db2.gz BUAOGNMFFGQGLH-ONGXEEELSA-N 0 3 296.323 1.966 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000902828227 625450975 /nfs/dbraw/zinc/45/09/75/625450975.db2.gz ZXLSVKFHJLMVCL-WDEREUQCSA-N 0 3 292.339 1.242 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccc(OC(F)(F)F)cc1 ZINC000899871114 622497273 /nfs/dbraw/zinc/49/72/73/622497273.db2.gz OFFGJALLMXKYDJ-UHFFFAOYSA-N 0 3 278.230 1.994 20 5 CDBDHN C[C@H]1CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971442 627061230 /nfs/dbraw/zinc/06/12/30/627061230.db2.gz BKIQQPBIZSJTCQ-CMPLNLGQSA-N 0 3 266.297 1.429 20 5 CDBDHN CCNC(=O)CN[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297986 1162328764 /nfs/dbraw/zinc/32/87/64/1162328764.db2.gz XRRULZOOSKGKRJ-JTQLQIEISA-N 0 3 295.339 1.260 20 5 CDBDHN COc1ccc(C[C@@H](C)N2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329770 1162338471 /nfs/dbraw/zinc/33/84/71/1162338471.db2.gz UCAOFXHAQCPGSH-NQBHXWOUSA-N 0 3 294.351 1.990 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(NC(=N)N2CCN(C)CC2)n1 ZINC001157914915 1162544731 /nfs/dbraw/zinc/54/47/31/1162544731.db2.gz HCVVEDWJOAUQKJ-UHFFFAOYSA-N 0 3 292.343 1.201 20 5 CDBDHN C[C@H](N[C@@H](C)[C@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001576252231 1171372911 /nfs/dbraw/zinc/37/29/11/1171372911.db2.gz QHPSWQDZMXXWPP-COPLHBTASA-N 0 3 279.340 1.622 20 5 CDBDHN C[NH+](C)CCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591016487 1173563529 /nfs/dbraw/zinc/56/35/29/1173563529.db2.gz ZLLKMNQZLIKKGC-UHFFFAOYSA-N 0 3 291.315 1.139 20 5 CDBDHN C[NH+](C)CCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591016487 1173563532 /nfs/dbraw/zinc/56/35/32/1173563532.db2.gz ZLLKMNQZLIKKGC-UHFFFAOYSA-N 0 3 291.315 1.139 20 5 CDBDHN CC(C)C[N@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603287875 1175533040 /nfs/dbraw/zinc/53/30/40/1175533040.db2.gz AFAQUHCXLQLUQA-UHFFFAOYSA-N 0 3 290.327 1.863 20 5 CDBDHN CC(C)C[N@@H+](C)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001603287875 1175533043 /nfs/dbraw/zinc/53/30/43/1175533043.db2.gz AFAQUHCXLQLUQA-UHFFFAOYSA-N 0 3 290.327 1.863 20 5 CDBDHN CC(C)C[N@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603287875 1175533047 /nfs/dbraw/zinc/53/30/47/1175533047.db2.gz AFAQUHCXLQLUQA-UHFFFAOYSA-N 0 3 290.327 1.863 20 5 CDBDHN CC(C)C[N@@H+](C)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001603287875 1175533051 /nfs/dbraw/zinc/53/30/51/1175533051.db2.gz AFAQUHCXLQLUQA-UHFFFAOYSA-N 0 3 290.327 1.863 20 5 CDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000401338583 1186411843 /nfs/dbraw/zinc/41/18/43/1186411843.db2.gz QLZYEHADPKIJOI-XHNCKOQMSA-N 0 3 266.301 1.134 20 5 CDBDHN CC(COC(=O)c1cccc2c1OC(F)(F)O2)[N+](=O)[O-] ZINC000851036806 697632466 /nfs/dbraw/zinc/63/24/66/697632466.db2.gz NHSAROZJZZTGIS-ZCFIWIBFSA-N 0 3 289.190 1.830 20 5 CDBDHN COC1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277756 698031965 /nfs/dbraw/zinc/03/19/65/698031965.db2.gz RWAPRIHRONDQEK-AWEZNQCLSA-N 0 3 280.324 1.739 20 5 CDBDHN CC(COC(=O)[C@H]1CCc2ccccc2O1)[N+](=O)[O-] ZINC000842363554 698043582 /nfs/dbraw/zinc/04/35/82/698043582.db2.gz KUPDBHKALZLNQE-JOYOIKCWSA-N 0 3 265.265 1.589 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)OCCN1CCCCC1 ZINC000844264166 698327301 /nfs/dbraw/zinc/32/73/01/698327301.db2.gz GTODXHVEBZNAFZ-UHFFFAOYSA-N 0 3 281.312 1.576 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)C[C@@H](C)O2)[N+](=O)[O-] ZINC000851036725 704897110 /nfs/dbraw/zinc/89/71/10/704897110.db2.gz LPYIGYFQFIPBHH-RKDXNWHRSA-N 0 3 265.265 1.832 20 5 CDBDHN COC(=O)c1cc(C)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000838963950 848708123 /nfs/dbraw/zinc/70/81/23/848708123.db2.gz FMRPBIPFGVNSKN-VIFPVBQESA-N 0 3 281.264 1.604 20 5 CDBDHN CC(C)(CO)[C@H](NCc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886217630 848868559 /nfs/dbraw/zinc/86/85/59/848868559.db2.gz DMDUGYRUZMAKKQ-GFCCVEGCSA-N 0 3 279.340 1.877 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000063055043 848914734 /nfs/dbraw/zinc/91/47/34/848914734.db2.gz DSPXMLQAWPZNDM-UHFFFAOYSA-N 0 3 292.339 1.345 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(F)CC1 ZINC000880239903 848994929 /nfs/dbraw/zinc/99/49/29/848994929.db2.gz JHIMABHZVHORFB-GFCCVEGCSA-N 0 3 298.314 1.768 20 5 CDBDHN CN(CC1=CCCOC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852519337 849035607 /nfs/dbraw/zinc/03/56/07/849035607.db2.gz ZDKLIVUOQOWDDO-OAHLLOKOSA-N 0 3 292.335 1.907 20 5 CDBDHN CC(C)COC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000049592667 849089018 /nfs/dbraw/zinc/08/90/18/849089018.db2.gz ZFFRWVDDSXFFFF-AWEZNQCLSA-N 0 3 282.340 1.718 20 5 CDBDHN C[C@@H]1C[C@@H](CO)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278161 849304514 /nfs/dbraw/zinc/30/45/14/849304514.db2.gz TVDWPPAZNQMKDG-JMSVASOKSA-N 0 3 294.351 1.579 20 5 CDBDHN CCN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776276884 849402024 /nfs/dbraw/zinc/40/20/24/849402024.db2.gz KZPSQSBGVMEPHZ-IUODEOHRSA-N 0 3 293.367 1.654 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3ccccn3)C2)c1 ZINC000799191466 849490905 /nfs/dbraw/zinc/49/09/05/849490905.db2.gz LMPWQVKYYPZGHG-LBPRGKRZSA-N 0 3 287.323 1.676 20 5 CDBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1cnnn1C ZINC000925153556 849508749 /nfs/dbraw/zinc/50/87/49/849508749.db2.gz MEPLTODERYZMNU-JTQLQIEISA-N 0 3 275.312 1.617 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000794578322 849516503 /nfs/dbraw/zinc/51/65/03/849516503.db2.gz YBSSDGPPTLFJAU-PWSUYJOCSA-N 0 3 295.314 1.738 20 5 CDBDHN C[C@@H]1C[C@H](O)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602172 850237615 /nfs/dbraw/zinc/23/76/15/850237615.db2.gz TZVIRABEUCJTRC-JIMOISOXSA-N 0 3 266.297 1.083 20 5 CDBDHN Cc1c[n+]([O-])c(-n2nc(CN)c3ccccc32)cc1[N+](=O)[O-] ZINC001167695089 898472625 /nfs/dbraw/zinc/47/26/25/898472625.db2.gz CCKQNFNYTJVWDS-UHFFFAOYSA-N 0 3 299.290 1.334 20 5 CDBDHN CC(COC(=O)c1sccc1-n1ccnn1)[N+](=O)[O-] ZINC000838965690 936898874 /nfs/dbraw/zinc/89/88/74/936898874.db2.gz WQBSKFPEGJSTRT-SSDOTTSWSA-N 0 3 282.281 1.151 20 5 CDBDHN COc1cccnc1CN[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978615 927564995 /nfs/dbraw/zinc/56/49/95/927564995.db2.gz SUPHCFUOWKYYHR-QWRGUYRKSA-N 0 3 265.313 1.625 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3cccnc3C2)C1 ZINC001169036136 927645169 /nfs/dbraw/zinc/64/51/69/927645169.db2.gz FMCPCMIGELUMDY-WCQYABFASA-N 0 3 261.325 1.885 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCOC[C@H]2C2CC2)C1 ZINC001169047859 927665613 /nfs/dbraw/zinc/66/56/13/927665613.db2.gz RXPBESVLJRKDPF-RTXFEEFZSA-N 0 3 254.330 1.543 20 5 CDBDHN COc1ccc([N+](=O)[O-])nc1-n1ccc([C@H](C)N)n1 ZINC001169231633 927841547 /nfs/dbraw/zinc/84/15/47/927841547.db2.gz OMGDFRMZPBYFIY-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN NCc1nn(-c2cc([N+](=O)[O-])ccn2)c2ccccc12 ZINC001156856491 938426874 /nfs/dbraw/zinc/42/68/74/938426874.db2.gz VIFXKLSCQVXUCC-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CN1CCC[C@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]21 ZINC001157259715 938469998 /nfs/dbraw/zinc/46/99/98/938469998.db2.gz FSDQAQRPNISPLK-JQWIXIFHSA-N 0 3 262.313 1.520 20 5 CDBDHN Nc1cc([N+](=O)[O-])cnc1N1CCN[C@H](c2ccccc2)C1 ZINC001157765454 938543144 /nfs/dbraw/zinc/54/31/44/938543144.db2.gz RZNSKBGOVUSVIV-AWEZNQCLSA-N 0 3 299.334 1.723 20 5 CDBDHN Cc1cc([N+](=O)[O-])c(N2CCNC3(CC3)C2)nc1Cl ZINC001158936588 938680418 /nfs/dbraw/zinc/68/04/18/938680418.db2.gz JWSMQQZZEKVEHW-UHFFFAOYSA-N 0 3 282.731 1.894 20 5 CDBDHN NCc1cn(-c2ccc3nc[nH]c3c2[N+](=O)[O-])cn1 ZINC001162304461 938976204 /nfs/dbraw/zinc/97/62/04/938976204.db2.gz SMRHIEUOQPGVRA-UHFFFAOYSA-N 0 3 258.241 1.116 20 5 CDBDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000400987184 940862200 /nfs/dbraw/zinc/86/22/00/940862200.db2.gz ZGDSLFKIMKIBMM-ZWNOBZJWSA-N 0 3 279.340 1.975 20 5 CDBDHN CCN1CC[C@H](Oc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001227234546 942154151 /nfs/dbraw/zinc/15/41/51/942154151.db2.gz HAILLMYSHJXVBK-JTQLQIEISA-N 0 3 251.286 1.771 20 5 CDBDHN CN1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001229484171 942480399 /nfs/dbraw/zinc/48/03/99/942480399.db2.gz HFTNZBXJFZMMJF-VIFPVBQESA-N 0 3 263.253 1.819 20 5 CDBDHN COCC1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597826 947546344 /nfs/dbraw/zinc/54/63/44/947546344.db2.gz HVHCZYIXWYWEND-CQSZACIVSA-N 0 3 262.309 1.640 20 5 CDBDHN CN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001336198912 960245990 /nfs/dbraw/zinc/24/59/90/960245990.db2.gz FZVAWDCMLWNVDF-SECBINFHSA-N 0 3 266.301 1.137 20 5 CDBDHN CN1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001336745076 960538076 /nfs/dbraw/zinc/53/80/76/960538076.db2.gz MGCSPPJJEWMNMH-AWEZNQCLSA-N 0 3 291.351 1.738 20 5 CDBDHN CC(C)[C@@H](CNCC[N+](=O)[O-])Nc1ccccc1 ZINC001336756997 960551110 /nfs/dbraw/zinc/55/11/10/960551110.db2.gz VUWZSRLKNPGTQT-CYBMUJFWSA-N 0 3 251.330 1.989 20 5 CDBDHN CC(COC(=O)c1cccc(N2CCNC2=O)c1)[N+](=O)[O-] ZINC001514774885 976342176 /nfs/dbraw/zinc/34/21/76/976342176.db2.gz LAYNXUUZKAZSKX-VIFPVBQESA-N 0 3 293.279 1.038 20 5 CDBDHN C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N(C)C ZINC000044498809 341977496 /nfs/dbraw/zinc/97/74/96/341977496.db2.gz XCIHZSQGHJCAHZ-SSDOTTSWSA-N 0 3 257.315 1.336 20 5 CDBDHN CN(C)CCOCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601412988 342560862 /nfs/dbraw/zinc/56/08/62/342560862.db2.gz XUERIYYDLNCARZ-UHFFFAOYSA-N 0 3 299.302 1.042 20 5 CDBDHN CCCc1[nH]nc(-c2nc([C@@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000592356719 342688012 /nfs/dbraw/zinc/68/80/12/342688012.db2.gz GNHPBTHWFFBYJM-QMMMGPOBSA-N 0 3 292.299 1.745 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](CO)CCF ZINC000593690190 342823390 /nfs/dbraw/zinc/82/33/90/342823390.db2.gz UQAMFJYQANBLIZ-PYEVWLCESA-N 0 3 268.288 1.918 20 5 CDBDHN C[C@@H](CC[S@@](C)=O)NCc1ccccc1[N+](=O)[O-] ZINC000125498859 187188103 /nfs/dbraw/zinc/18/81/03/187188103.db2.gz XMDVWCPTQKOODQ-YPMLDQLKSA-N 0 3 270.354 1.842 20 5 CDBDHN O=C1NCCC[C@@H]1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516804 342917116 /nfs/dbraw/zinc/91/71/16/342917116.db2.gz FKKAEOKRRBVCDF-ZWNOBZJWSA-N 0 3 289.335 1.698 20 5 CDBDHN CC[C@@](C)(N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651338 342933026 /nfs/dbraw/zinc/93/30/26/342933026.db2.gz BYDDNGORTYTNGQ-GFCCVEGCSA-N 0 3 277.284 1.465 20 5 CDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CCN1C ZINC000158549704 342290161 /nfs/dbraw/zinc/29/01/61/342290161.db2.gz SHZBSKLZWANCRD-RKDXNWHRSA-N 0 3 251.290 1.279 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598343781 343771426 /nfs/dbraw/zinc/77/14/26/343771426.db2.gz XSFNAPGLCWEXOT-GFCCVEGCSA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@@H](NCCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599093251 343952609 /nfs/dbraw/zinc/95/26/09/343952609.db2.gz NJSRDGBWUWFUDJ-RISCZKNCSA-N 0 3 279.340 1.312 20 5 CDBDHN CN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000145193353 362285526 /nfs/dbraw/zinc/28/55/26/362285526.db2.gz RNZSWKASVCYPHW-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCCC(F)(F)CC2)n1 ZINC000599552194 344080772 /nfs/dbraw/zinc/08/07/72/344080772.db2.gz XBSMTPXNEULPTF-UHFFFAOYSA-N 0 3 274.271 1.913 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/CN(C)C ZINC000265624357 362468175 /nfs/dbraw/zinc/46/81/75/362468175.db2.gz LHCSJSZLXBJSIR-SNAWJCMRSA-N 0 3 263.297 1.960 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@@H](O)CN1CCCCC1 ZINC000052131436 362472473 /nfs/dbraw/zinc/47/24/73/362472473.db2.gz FWFLTQSRDGEDSW-GFCCVEGCSA-N 0 3 297.330 1.993 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000602817866 344607871 /nfs/dbraw/zinc/60/78/71/344607871.db2.gz VCFDMRMOPHZPFA-GVXVVHGQSA-N 0 3 296.371 1.581 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C)[C@H]1CCO ZINC000602882076 344633589 /nfs/dbraw/zinc/63/35/89/344633589.db2.gz IHDIHTUTYIMJNR-WCQYABFASA-N 0 3 296.371 1.583 20 5 CDBDHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)NCC1CC1 ZINC000040676152 345036009 /nfs/dbraw/zinc/03/60/09/345036009.db2.gz JYAOQFSPYNFVPS-UHFFFAOYSA-N 0 3 277.324 1.253 20 5 CDBDHN CN(CCc1ccccc1O)CCn1ccc([N+](=O)[O-])n1 ZINC000344163811 362548195 /nfs/dbraw/zinc/54/81/95/362548195.db2.gz NNPMUXWETRZDAF-UHFFFAOYSA-N 0 3 290.323 1.671 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN(CCCO)C2CC2)c1 ZINC000609848181 346006650 /nfs/dbraw/zinc/00/66/50/346006650.db2.gz GTSBRFLFWNBEOS-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](n3ccnc3)C2)n1 ZINC000610485187 346291836 /nfs/dbraw/zinc/29/18/36/346291836.db2.gz VMTRENYFXGRAAB-LBPRGKRZSA-N 0 3 290.327 1.325 20 5 CDBDHN CN(c1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000266056121 362710878 /nfs/dbraw/zinc/71/08/78/362710878.db2.gz XZFZCVMAQDPNGB-SECBINFHSA-N 0 3 295.368 1.834 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)CC2CC2)c1 ZINC000611108202 346610209 /nfs/dbraw/zinc/61/02/09/346610209.db2.gz DNANNMUJCOVROP-LBPRGKRZSA-N 0 3 250.298 1.845 20 5 CDBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000611510292 346800963 /nfs/dbraw/zinc/80/09/63/346800963.db2.gz HMHXTXJJYNALCV-ZYHUDNBSSA-N 0 3 262.313 1.520 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054460274 347822935 /nfs/dbraw/zinc/82/29/35/347822935.db2.gz FGGACMIYPYQNLO-SECBINFHSA-N 0 3 266.301 1.137 20 5 CDBDHN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000061362683 349993615 /nfs/dbraw/zinc/99/36/15/349993615.db2.gz KLRULWJESAYEPX-BXKDBHETSA-N 0 3 296.352 1.565 20 5 CDBDHN CN(CCNC(=O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000063118149 348918898 /nfs/dbraw/zinc/91/88/98/348918898.db2.gz XICFNMLQFWZLRI-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)C2)c1 ZINC000266085694 362936002 /nfs/dbraw/zinc/93/60/02/362936002.db2.gz OOAMMNQUCFNYPY-LLVKDONJSA-N 0 3 277.324 1.585 20 5 CDBDHN CN(C[C@@H](O)CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312577149 350786214 /nfs/dbraw/zinc/78/62/14/350786214.db2.gz ABUCQTYCTKETEN-AWEZNQCLSA-N 0 3 279.340 1.140 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292055600 198147820 /nfs/dbraw/zinc/14/78/20/198147820.db2.gz CASZYAOXNIXLJN-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN CN1CC[C@]2(CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000292281059 198229675 /nfs/dbraw/zinc/22/96/75/198229675.db2.gz QUSYNMZJDUBIHB-ZDUSSCGKSA-N 0 3 295.364 1.824 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000112839622 366160259 /nfs/dbraw/zinc/16/02/59/366160259.db2.gz ASELPBHSONJWDK-CABCVRRESA-N 0 3 291.351 1.548 20 5 CDBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000271837477 191359560 /nfs/dbraw/zinc/35/95/60/191359560.db2.gz HSTJABXSSKVKKI-UHFFFAOYSA-N 0 3 281.337 1.648 20 5 CDBDHN CN1CC=C(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271880585 191385772 /nfs/dbraw/zinc/38/57/72/191385772.db2.gz MZNZHPLKTDJRIW-UHFFFAOYSA-N 0 3 275.308 1.587 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCOCCN(C)C ZINC000336838522 356294123 /nfs/dbraw/zinc/29/41/23/356294123.db2.gz NECXHEUUBSRFDB-UHFFFAOYSA-N 0 3 285.348 1.110 20 5 CDBDHN CCCN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261878325 357338656 /nfs/dbraw/zinc/33/86/56/357338656.db2.gz TWCZQPWGEVNMFX-SECBINFHSA-N 0 3 251.286 1.921 20 5 CDBDHN Cc1ccc(CNCC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282499235 357363339 /nfs/dbraw/zinc/36/33/39/357363339.db2.gz WNTDRITWXCUCJO-LJQANCHMSA-N 0 3 282.365 1.904 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCN(C)C1CC1 ZINC000186779387 357687996 /nfs/dbraw/zinc/68/79/96/357687996.db2.gz YOFGNHBFFMPVOP-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN Cc1cnc(N[C@@H]2CCCN(CCCO)C2)c([N+](=O)[O-])c1 ZINC000294842984 199208308 /nfs/dbraw/zinc/20/83/08/199208308.db2.gz ADAWZRZWXLWOAP-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN COC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000541593809 358400408 /nfs/dbraw/zinc/40/04/08/358400408.db2.gz BYTYMQPUAIGEBB-GFCCVEGCSA-N 0 3 295.339 1.454 20 5 CDBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000361657644 358403224 /nfs/dbraw/zinc/40/32/24/358403224.db2.gz DDOBPDXNGPJMIM-JQWIXIFHSA-N 0 3 250.298 1.655 20 5 CDBDHN CO[C@@]1(CNCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000132211031 358526864 /nfs/dbraw/zinc/52/68/64/358526864.db2.gz UUMFOCQISIQGGU-CYBMUJFWSA-N 0 3 266.297 1.490 20 5 CDBDHN COc1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176191183 358731574 /nfs/dbraw/zinc/73/15/74/358731574.db2.gz RQPDPWBBRPOQOK-UHFFFAOYSA-N 0 3 290.323 1.932 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCN(C)C1 ZINC000380739430 358889920 /nfs/dbraw/zinc/88/99/20/358889920.db2.gz LGTYRYMMAIAPFI-LLVKDONJSA-N 0 3 281.360 1.873 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000152144099 366502556 /nfs/dbraw/zinc/50/25/56/366502556.db2.gz BDEDUWYADGHRAU-CQSZACIVSA-N 0 3 294.351 1.865 20 5 CDBDHN CC(C)[C@H](CO)CNCc1ccccc1[N+](=O)[O-] ZINC000342238497 358973412 /nfs/dbraw/zinc/97/34/12/358973412.db2.gz SRJMOZOHGGWOPT-LBPRGKRZSA-N 0 3 252.314 1.949 20 5 CDBDHN Nc1c(F)c(N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000548121656 360277353 /nfs/dbraw/zinc/27/73/53/360277353.db2.gz IOOHEOOIERYJQR-SNVBAGLBSA-N 0 3 294.330 1.991 20 5 CDBDHN COC[C@@H](CNCc1ccc([N+](=O)[O-])cc1)OC ZINC000227706104 360683686 /nfs/dbraw/zinc/68/36/86/360683686.db2.gz FRVBMIAOJRZJQU-GFCCVEGCSA-N 0 3 254.286 1.346 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@]1(O)CCOC1 ZINC000179024223 189162659 /nfs/dbraw/zinc/16/26/59/189162659.db2.gz QKSUUBRZSXSTHR-GFCCVEGCSA-N 0 3 286.715 1.489 20 5 CDBDHN C[C@@H](CNCCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000572992572 360823503 /nfs/dbraw/zinc/82/35/03/360823503.db2.gz SEPODAPLIJDUCD-JTQLQIEISA-N 0 3 286.353 1.160 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCCN3CCC[C@H]3C2)s1 ZINC000367155061 361140303 /nfs/dbraw/zinc/14/03/03/361140303.db2.gz ZVULRAINDACEJY-VIFPVBQESA-N 0 3 268.342 1.726 20 5 CDBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(C)C1 ZINC000572725573 361679049 /nfs/dbraw/zinc/67/90/49/361679049.db2.gz TXSZXYDEBLSGPT-VIFPVBQESA-N 0 3 278.312 1.527 20 5 CDBDHN COC[C@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564225349 365396156 /nfs/dbraw/zinc/39/61/56/365396156.db2.gz FQQRGQKPNJVGIN-JOYOIKCWSA-N 0 3 266.297 1.179 20 5 CDBDHN COc1cc(C(=O)N[C@@H](C)CN(C)C)cc([N+](=O)[O-])c1C ZINC000287205099 369122618 /nfs/dbraw/zinc/12/26/18/369122618.db2.gz NGBRCIYPMVOUDM-VIFPVBQESA-N 0 3 295.339 1.592 20 5 CDBDHN Cc1nc(N(C)C[C@H]2CCCN2C)ncc1[N+](=O)[O-] ZINC000420630762 244296532 /nfs/dbraw/zinc/29/65/32/244296532.db2.gz FPRUROQGLWUFAM-SNVBAGLBSA-N 0 3 265.317 1.224 20 5 CDBDHN C[C@H]1[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCCN1C ZINC000420613697 244280523 /nfs/dbraw/zinc/28/05/23/244280523.db2.gz SMELXBACSPNITA-ONGXEEELSA-N 0 3 292.339 1.588 20 5 CDBDHN COc1ccc(OCCN2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351836725 369785434 /nfs/dbraw/zinc/78/54/34/369785434.db2.gz WYMHDTRBZSWPJN-ZWNOBZJWSA-N 0 3 296.323 1.295 20 5 CDBDHN CS[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000296038655 372491741 /nfs/dbraw/zinc/49/17/41/372491741.db2.gz AJYZQOTUAOPHAF-VIFPVBQESA-N 0 3 256.331 1.229 20 5 CDBDHN Cc1cnc(OC[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000187691666 373220434 /nfs/dbraw/zinc/22/04/34/373220434.db2.gz PCCNCMHYWUJKKG-JTQLQIEISA-N 0 3 251.286 1.629 20 5 CDBDHN COc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368384662 373836975 /nfs/dbraw/zinc/83/69/75/373836975.db2.gz JPMMDCJPDOTHDQ-UWVGGRQHSA-N 0 3 297.286 1.033 20 5 CDBDHN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079184275 374392445 /nfs/dbraw/zinc/39/24/45/374392445.db2.gz OQHBXHKWUASDRR-UHFFFAOYSA-N 0 3 279.340 1.611 20 5 CDBDHN CCN(CCOC)CCOc1cccc([N+](=O)[O-])c1 ZINC000299122583 374416516 /nfs/dbraw/zinc/41/65/16/374416516.db2.gz HCQCYCZZBMZLLJ-UHFFFAOYSA-N 0 3 268.313 1.942 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1COCCO1 ZINC000531683917 374505972 /nfs/dbraw/zinc/50/59/72/374505972.db2.gz NURAUPFGOBXAOG-WCQYABFASA-N 0 3 280.324 1.969 20 5 CDBDHN CCOC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000069278540 374541077 /nfs/dbraw/zinc/54/10/77/374541077.db2.gz KMCIEOYPKVKLNE-LBPRGKRZSA-N 0 3 254.286 1.082 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCN(C)C1 ZINC000277411117 374785720 /nfs/dbraw/zinc/78/57/20/374785720.db2.gz HWEBJPFNBYCFPF-SNVBAGLBSA-N 0 3 293.323 1.285 20 5 CDBDHN CO[C@@]1(C)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000279398836 374897756 /nfs/dbraw/zinc/89/77/56/374897756.db2.gz UXXDBRNVVZIFRD-AWEZNQCLSA-N 0 3 295.339 1.257 20 5 CDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330559707 374863753 /nfs/dbraw/zinc/86/37/53/374863753.db2.gz HMIOTLKDPACFRN-MNOVXSKESA-N 0 3 294.355 1.773 20 5 CDBDHN COc1cc(C[NH2+]C[C@H](CO)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000353106379 375576244 /nfs/dbraw/zinc/57/62/44/375576244.db2.gz HHELGTPGKRWUDL-LLVKDONJSA-N 0 3 296.323 1.417 20 5 CDBDHN CCC[C@@](C)(N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353475253 375614145 /nfs/dbraw/zinc/61/41/45/375614145.db2.gz WTQGQALVNTXFQK-CQSZACIVSA-N 0 3 295.339 1.737 20 5 CDBDHN Cc1ccc(CNC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000229641521 375933584 /nfs/dbraw/zinc/93/35/84/375933584.db2.gz UNDDYWHGDSBYLD-CYBMUJFWSA-N 0 3 266.297 1.144 20 5 CDBDHN O=C(NCc1ccccc1[N+](=O)[O-])C12CCCN1CCC2 ZINC000278567540 194048521 /nfs/dbraw/zinc/04/85/21/194048521.db2.gz IDRMELMXJPTTOM-UHFFFAOYSA-N 0 3 289.335 1.839 20 5 CDBDHN CC1(C)CCCN(CCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000443970120 250067765 /nfs/dbraw/zinc/06/77/65/250067765.db2.gz ZODLNQVYAOEMRP-UHFFFAOYSA-N 0 3 278.356 1.946 20 5 CDBDHN C[C@@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279219982 194338569 /nfs/dbraw/zinc/33/85/69/194338569.db2.gz HZMLTXWWNNHZGE-BXKDBHETSA-N 0 3 277.324 1.972 20 5 CDBDHN O=[N+]([O-])c1cccnc1N[C@@H](CO)CN1CCCCC1 ZINC000288845191 197178113 /nfs/dbraw/zinc/17/81/13/197178113.db2.gz CVSDGDLKYUOIJV-LLVKDONJSA-N 0 3 280.328 1.249 20 5 CDBDHN CN(C)C/C=C/C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000491880153 253111640 /nfs/dbraw/zinc/11/16/40/253111640.db2.gz BXJJEVSDCQOQBY-QPJJXVBHSA-N 0 3 263.297 1.329 20 5 CDBDHN CN(C)C/C=C\C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000491996886 253135658 /nfs/dbraw/zinc/13/56/58/253135658.db2.gz DSDLWSCBFIARPM-YVMONPNESA-N 0 3 277.324 1.371 20 5 CDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000288244389 197035532 /nfs/dbraw/zinc/03/55/32/197035532.db2.gz FUXRWRLMZZMEHS-MNOVXSKESA-N 0 3 292.339 1.622 20 5 CDBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)C1CCOCC1 ZINC000341996639 130188177 /nfs/dbraw/zinc/18/81/77/130188177.db2.gz SQIIRKJVWUKWIA-VIFPVBQESA-N 0 3 268.317 1.233 20 5 CDBDHN CN(C)C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000416303034 391984948 /nfs/dbraw/zinc/98/49/48/391984948.db2.gz QKGQLXPRVLGXQQ-UHFFFAOYSA-N 0 3 292.339 1.217 20 5 CDBDHN NC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000237797134 131058198 /nfs/dbraw/zinc/05/81/98/131058198.db2.gz SMIXQAQXMAHUCW-UHFFFAOYSA-N 0 3 291.351 1.915 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262749838 131258533 /nfs/dbraw/zinc/25/85/33/131258533.db2.gz GKHFSSJAIAOTGH-WDEREUQCSA-N 0 3 293.323 1.182 20 5 CDBDHN Cc1ccc([C@@H](C)NCCn2cncn2)cc1[N+](=O)[O-] ZINC000268850372 132076660 /nfs/dbraw/zinc/07/66/60/132076660.db2.gz SPZRMIPERAJNKU-LLVKDONJSA-N 0 3 275.312 1.846 20 5 CDBDHN CNC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130906645 392984432 /nfs/dbraw/zinc/98/44/32/392984432.db2.gz NUYGHYRQSUJRTN-UHFFFAOYSA-N 0 3 277.324 1.695 20 5 CDBDHN CC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000161160495 393128390 /nfs/dbraw/zinc/12/83/90/393128390.db2.gz OBDPHVPAYALGOX-CYBMUJFWSA-N 0 3 279.340 1.594 20 5 CDBDHN Cc1cc(N2C[C@H](C)NC[C@H]2C)ncc1[N+](=O)[O-] ZINC000252639088 393315638 /nfs/dbraw/zinc/31/56/38/393315638.db2.gz JLLYEORFQJFMSZ-VHSXEESVSA-N 0 3 250.302 1.485 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CN2CCC[C@H]2CO1 ZINC000252667288 140321282 /nfs/dbraw/zinc/32/12/82/140321282.db2.gz IEHVBBOTWJJUCH-KBPBESRZSA-N 0 3 291.351 1.548 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCCCCO)c(F)c1 ZINC000311068134 149208493 /nfs/dbraw/zinc/20/84/93/149208493.db2.gz LFXKBCWFCWGSEC-UHFFFAOYSA-N 0 3 256.277 1.986 20 5 CDBDHN CCCN(CCN1CCCC1)c1c([N+](=O)[O-])ncn1C ZINC000343269758 152093525 /nfs/dbraw/zinc/09/35/25/152093525.db2.gz KVBFGUPEVKNROT-UHFFFAOYSA-N 0 3 281.360 1.641 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCCN1C ZINC000343449083 152181917 /nfs/dbraw/zinc/18/19/17/152181917.db2.gz OBJMMMQSGGAETI-UWVGGRQHSA-N 0 3 280.328 1.146 20 5 CDBDHN CSc1cccc(C(=O)N[C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000346176670 153084072 /nfs/dbraw/zinc/08/40/72/153084072.db2.gz KOUMCWCJTZTJEQ-SECBINFHSA-N 0 3 297.380 1.997 20 5 CDBDHN CN1CC[C@](O)(CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349220502 154070107 /nfs/dbraw/zinc/07/01/07/154070107.db2.gz UAUIACWQJBHJLL-LBPRGKRZSA-N 0 3 285.731 1.727 20 5 CDBDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H](C)O ZINC000352195965 155016315 /nfs/dbraw/zinc/01/63/15/155016315.db2.gz VPCHQXAVSXVCKZ-JTQLQIEISA-N 0 3 268.313 1.806 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2[C@H]2CCCO2)n1 ZINC000375349784 160371692 /nfs/dbraw/zinc/37/16/92/160371692.db2.gz PNLUCERHWHNKMZ-NWDGAFQWSA-N 0 3 280.328 1.435 20 5 CDBDHN CN(C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353938188 156171106 /nfs/dbraw/zinc/17/11/06/156171106.db2.gz FTUHRZKXWRXMAF-UHFFFAOYSA-N 0 3 296.327 1.295 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000408086839 160696592 /nfs/dbraw/zinc/69/65/92/160696592.db2.gz LXOYDKZRAKSUMI-JTQLQIEISA-N 0 3 280.328 1.100 20 5 CDBDHN CCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000040454470 174267299 /nfs/dbraw/zinc/26/72/99/174267299.db2.gz OHAIEPXEAVSOBX-VIFPVBQESA-N 0 3 251.290 1.281 20 5 CDBDHN CCC[C@@](C)(N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676291 174373972 /nfs/dbraw/zinc/37/39/72/174373972.db2.gz XLWNSIQTJZCANV-CQSZACIVSA-N 0 3 279.340 1.771 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCCN1C ZINC000044563280 175206935 /nfs/dbraw/zinc/20/69/35/175206935.db2.gz ZZOLXWXIZSXMLW-SECBINFHSA-N 0 3 253.306 1.225 20 5 CDBDHN COCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078508350 177348150 /nfs/dbraw/zinc/34/81/50/177348150.db2.gz AVWIRWLOCCVBTA-UHFFFAOYSA-N 0 3 295.339 1.245 20 5 CDBDHN C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000525748642 262094576 /nfs/dbraw/zinc/09/45/76/262094576.db2.gz UFKJBTAUDKMUTD-GFCCVEGCSA-N 0 3 291.351 1.738 20 5 CDBDHN CNC(=O)C[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859589 277002404 /nfs/dbraw/zinc/00/24/04/277002404.db2.gz ZCDJLVADYKEPHL-UWVGGRQHSA-N 0 3 265.313 1.770 20 5 CDBDHN CN1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000292152674 277186286 /nfs/dbraw/zinc/18/62/86/277186286.db2.gz CIRJAOOFFYFYND-ZDUSSCGKSA-N 0 3 262.313 1.522 20 5 CDBDHN Cc1cccc(C(=O)NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000108337576 279305463 /nfs/dbraw/zinc/30/54/63/279305463.db2.gz BAWVDXMTQAQLBF-LBPRGKRZSA-N 0 3 291.351 1.975 20 5 CDBDHN COc1ccc(CNCCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000395882040 280694004 /nfs/dbraw/zinc/69/40/04/280694004.db2.gz BJJFAZIRUVGYHE-UHFFFAOYSA-N 0 3 280.324 1.856 20 5 CDBDHN CN(C)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000416300960 282029817 /nfs/dbraw/zinc/02/98/17/282029817.db2.gz KCHOWXBQGQZFGS-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN NC(=O)[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255863818 289387803 /nfs/dbraw/zinc/38/78/03/289387803.db2.gz ZJUAJZMGLHMWRK-KTLBGCOUSA-N 0 3 275.308 1.415 20 5 CDBDHN COC[C@@H](O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575881613 317034234 /nfs/dbraw/zinc/03/42/34/317034234.db2.gz XFHRNXOXWFLUJJ-GWCFXTLKSA-N 0 3 280.324 1.569 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000379501976 323602056 /nfs/dbraw/zinc/60/20/56/323602056.db2.gz XDFYYPHTWIGBMQ-FUMJMOHISA-N 0 3 289.335 1.817 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C2CC2)C1 ZINC000336840746 523146799 /nfs/dbraw/zinc/14/67/99/523146799.db2.gz QPENLLRXQUCZPQ-JTQLQIEISA-N 0 3 279.344 1.768 20 5 CDBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCN(C)CC1 ZINC000050698437 523923710 /nfs/dbraw/zinc/92/37/10/523923710.db2.gz HIKAANAQLFDWLT-UHFFFAOYSA-N 0 3 292.339 1.343 20 5 CDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245660367 524611593 /nfs/dbraw/zinc/61/15/93/524611593.db2.gz HHXRERKSLXBXAN-ZJUUUORDSA-N 0 3 295.343 1.168 20 5 CDBDHN CCc1ccc(OC(=O)C2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000774100649 575181530 /nfs/dbraw/zinc/18/15/30/575181530.db2.gz QOFCJAZAUWYYMG-JTQLQIEISA-N 0 3 292.291 1.541 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CCO)C1CC1 ZINC000763067611 576707614 /nfs/dbraw/zinc/70/76/14/576707614.db2.gz PJGJQLLUSSEHNO-CYBMUJFWSA-N 0 3 280.324 1.854 20 5 CDBDHN CCn1nccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000753852662 576862848 /nfs/dbraw/zinc/86/28/48/576862848.db2.gz FCNLYTBWNWKITM-CQSZACIVSA-N 0 3 290.323 1.634 20 5 CDBDHN COc1c(O)ccc(CN[C@@H](C)[C@@H](C)OC)c1[N+](=O)[O-] ZINC000893933551 618192017 /nfs/dbraw/zinc/19/20/17/618192017.db2.gz BBVUHASBQPGFLC-DTWKUNHWSA-N 0 3 284.312 1.822 20 5 CDBDHN COc1ccc(CNC[C@H]2COCO2)cc1[N+](=O)[O-] ZINC000894872500 619112784 /nfs/dbraw/zinc/11/27/84/619112784.db2.gz JSLOMGORWGGWSK-JTQLQIEISA-N 0 3 268.269 1.066 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001170569474 1162948673 /nfs/dbraw/zinc/94/86/73/1162948673.db2.gz SIKMFRSVZIAACH-KOLCDFICSA-N 0 3 266.301 1.087 20 5 CDBDHN COC(=O)C1CC(NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000877722977 1166084399 /nfs/dbraw/zinc/08/43/99/1166084399.db2.gz APICYKGEPVFKEZ-UHFFFAOYSA-N 0 3 278.308 1.944 20 5 CDBDHN COc1cc(CNCC[NH2+]C2CC2)c([N+](=O)[O-])cc1[O-] ZINC001579152786 1172108193 /nfs/dbraw/zinc/10/81/93/1172108193.db2.gz HUVSTNBNYCWLRD-UHFFFAOYSA-N 0 3 281.312 1.151 20 5 CDBDHN COc1ccc2c(c1)C=C(C(=O)OCC(C)[N+](=O)[O-])CO2 ZINC000813113145 705667730 /nfs/dbraw/zinc/66/77/30/705667730.db2.gz XQSFFRCKNTUIGK-SECBINFHSA-N 0 3 293.275 1.679 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000226130170 705813897 /nfs/dbraw/zinc/81/38/97/705813897.db2.gz KVWQVCYMHSIMCA-SNVBAGLBSA-N 0 3 281.287 1.558 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2C[C@H](O)C2)c(F)c1 ZINC000720941694 706116642 /nfs/dbraw/zinc/11/66/42/706116642.db2.gz XVSWEHHOSPLRJC-JLIMDTESSA-N 0 3 254.261 1.594 20 5 CDBDHN CCOCCN(CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583128 706120880 /nfs/dbraw/zinc/12/08/80/706120880.db2.gz XFSTVHLIXRWMBE-AWEZNQCLSA-N 0 3 282.340 1.987 20 5 CDBDHN CN(CCO)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000884825114 709775115 /nfs/dbraw/zinc/77/51/15/709775115.db2.gz FYGZWIOHDZWEOQ-UHFFFAOYSA-N 0 3 290.323 1.479 20 5 CDBDHN CC(C)N(CCN(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827203551 709814789 /nfs/dbraw/zinc/81/47/89/709814789.db2.gz VETLUXWRTXOEBC-UHFFFAOYSA-N 0 3 273.377 1.621 20 5 CDBDHN CC(COC(=O)[C@]1(C)COc2ccccc2O1)[N+](=O)[O-] ZINC000860777023 709980384 /nfs/dbraw/zinc/98/03/84/709980384.db2.gz JHNGULROHCSUAB-RNCFNFMXSA-N 0 3 281.264 1.425 20 5 CDBDHN CNC(=O)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825068353 710610681 /nfs/dbraw/zinc/61/06/81/710610681.db2.gz OAQVECASXYMWOJ-MRVPVSSYSA-N 0 3 285.731 1.862 20 5 CDBDHN CC(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813109551 710755316 /nfs/dbraw/zinc/75/53/16/710755316.db2.gz LHRUWDHZKASMIY-QMMMGPOBSA-N 0 3 280.280 1.775 20 5 CDBDHN CC(COC(=O)[C@H]1CN(C)C(=O)c2ccccc21)[N+](=O)[O-] ZINC000813115790 711469937 /nfs/dbraw/zinc/46/99/37/711469937.db2.gz ZRBRSFSIXYRNFG-SKDRFNHKSA-N 0 3 292.291 1.064 20 5 CDBDHN O=C1NCCC12CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000877783396 711718157 /nfs/dbraw/zinc/71/81/57/711718157.db2.gz RJFAPBFIJNMXHD-UHFFFAOYSA-N 0 3 289.335 1.697 20 5 CDBDHN CC(COC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)[N+](=O)[O-] ZINC000860776738 711807497 /nfs/dbraw/zinc/80/74/97/711807497.db2.gz IBMYSOBEQMBBAM-GHORINQJSA-N 0 3 261.277 1.781 20 5 CDBDHN COC(=O)c1[nH]c(C)c(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813111398 711816684 /nfs/dbraw/zinc/81/66/84/711816684.db2.gz TTWPEKHHHSIUTG-ZCFIWIBFSA-N 0 3 284.268 1.240 20 5 CDBDHN C[C@@H](NC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000036330958 711838958 /nfs/dbraw/zinc/83/89/58/711838958.db2.gz IFQTUJADPZTBDM-SNVBAGLBSA-N 0 3 298.364 1.823 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(N(C)C)C1 ZINC001173224400 912309835 /nfs/dbraw/zinc/30/98/35/912309835.db2.gz FJBUFRKNOYXZAE-NSHDSACASA-N 0 3 263.341 1.772 20 5 CDBDHN Cc1cccn2c(CN[C@@H]3CC[C@H](C[N+](=O)[O-])C3)nnc12 ZINC001168964790 927587409 /nfs/dbraw/zinc/58/74/09/927587409.db2.gz WGBVVWRWFQYYQU-NWDGAFQWSA-N 0 3 289.339 1.573 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3ncsc3C2)C1 ZINC001169033305 927642466 /nfs/dbraw/zinc/64/24/66/927642466.db2.gz BSXMGTCTBLXWOB-UWVGGRQHSA-N 0 3 267.354 1.947 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ccncn3)CC2)C1 ZINC001169035561 927644905 /nfs/dbraw/zinc/64/49/05/927644905.db2.gz CCEQXWSRTJCSIV-QWHCGFSZSA-N 0 3 291.355 1.044 20 5 CDBDHN NCc1cn(-c2ccc3c(cccc3[N+](=O)[O-])n2)cn1 ZINC001154906136 937602419 /nfs/dbraw/zinc/60/24/19/937602419.db2.gz BYWFODIMODFOFX-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001156038461 938313012 /nfs/dbraw/zinc/31/30/12/938313012.db2.gz SQMMRERVAWGOLL-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN CN1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001157272554 938473907 /nfs/dbraw/zinc/47/39/07/938473907.db2.gz OHBYWCWWRKCWSM-SKDRFNHKSA-N 0 3 277.328 1.102 20 5 CDBDHN Cc1nc(N2C[C@H]3CCCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001157283242 938475116 /nfs/dbraw/zinc/47/51/16/938475116.db2.gz TVSDMFGHMOOIET-PWSUYJOCSA-N 0 3 277.328 1.224 20 5 CDBDHN Cc1cnc(N[C@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159489965 938732129 /nfs/dbraw/zinc/73/21/29/938732129.db2.gz SGKOIBGASJBWTL-MWLCHTKSSA-N 0 3 266.301 1.087 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)n1 ZINC001159498691 938734621 /nfs/dbraw/zinc/73/46/21/938734621.db2.gz MEFSCDOAAUJACY-QWRGUYRKSA-N 0 3 280.328 1.395 20 5 CDBDHN COc1cc(Nc2ccc(CN)nc2)ncc1[N+](=O)[O-] ZINC001160402010 938784408 /nfs/dbraw/zinc/78/44/08/938784408.db2.gz IOSPRQOONDIEMT-UHFFFAOYSA-N 0 3 275.268 1.596 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227615971 942197487 /nfs/dbraw/zinc/19/74/87/942197487.db2.gz HZOXFWBDCWHBRW-ZETCQYMHSA-O 0 3 268.366 1.115 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1ccc2occ([O-])c2c1 ZINC001233680770 943639255 /nfs/dbraw/zinc/63/92/55/943639255.db2.gz NODJUWJYWGHCQF-SNVBAGLBSA-N 0 3 250.318 1.735 20 5 CDBDHN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)nc1 ZINC001261837979 946293527 /nfs/dbraw/zinc/29/35/27/946293527.db2.gz SNFKRQARFBGBRB-VIRWGQHYSA-N 0 3 287.279 1.244 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1COC(=O)C1 ZINC001254539728 947517624 /nfs/dbraw/zinc/51/76/24/947517624.db2.gz KEGRZBGURTXOAL-ONGXEEELSA-N 0 3 264.281 1.431 20 5 CDBDHN CO[C@@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001254550481 947520974 /nfs/dbraw/zinc/52/09/74/947520974.db2.gz KPZQRDRPUGRRAR-TUKIKUTGSA-N 0 3 294.351 1.871 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)C1 ZINC001254550651 947521963 /nfs/dbraw/zinc/52/19/63/947521963.db2.gz NWBLDOAUIURAFD-ZYHUDNBSSA-N 0 3 250.298 1.592 20 5 CDBDHN N[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603324 948338287 /nfs/dbraw/zinc/33/82/87/948338287.db2.gz YLJFOWHDSBKELK-LPEHRKFASA-N 0 3 263.288 1.100 20 5 CDBDHN O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2NC[C@@H]3C[C@@H]32)n1 ZINC001329610637 956017049 /nfs/dbraw/zinc/01/70/49/956017049.db2.gz YAEYSZGKRYNHGV-OUJBWJOFSA-N 0 3 286.291 1.849 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001334891523 959436594 /nfs/dbraw/zinc/43/65/94/959436594.db2.gz MOACPXIUORQPNQ-CYBMUJFWSA-N 0 3 277.324 1.810 20 5 CDBDHN CC(C)(C)OC(=O)N[C@H]1C[C@H](NCC[N+](=O)[O-])C12CCC2 ZINC001336837860 960645589 /nfs/dbraw/zinc/64/55/89/960645589.db2.gz BODLZTLDAZWJNU-QWRGUYRKSA-N 0 3 299.371 1.689 20 5 CDBDHN CC(COC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12)[N+](=O)[O-] ZINC001343663705 964082401 /nfs/dbraw/zinc/08/24/01/964082401.db2.gz IXFFRGGLIGPBKG-IPURGOFSSA-N 0 3 290.275 1.105 20 5 CDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnn1-c1ccncc1 ZINC001344813056 964441351 /nfs/dbraw/zinc/44/13/51/964441351.db2.gz QHGYAYFQBOBLLE-VIFPVBQESA-N 0 3 290.279 1.398 20 5 CDBDHN COC[C@@H](C)OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000234857241 342047379 /nfs/dbraw/zinc/04/73/79/342047379.db2.gz SGEFOXGNHLWPDI-BXUZGUMPSA-N 0 3 298.339 1.097 20 5 CDBDHN C[C@H](O)CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000124952513 187162490 /nfs/dbraw/zinc/16/24/90/187162490.db2.gz HYWMZBQWKYEADP-JTQLQIEISA-N 0 3 290.323 1.466 20 5 CDBDHN O=[N+]([O-])c1ncccc1N1CC[C@@H](N2CCCC2)C1 ZINC000608909486 342084478 /nfs/dbraw/zinc/08/44/78/342084478.db2.gz SHIGRNCDBZDSGB-LLVKDONJSA-N 0 3 262.313 1.664 20 5 CDBDHN COc1ccc(CN[C@@H](C)Cn2cncn2)cc1[N+](=O)[O-] ZINC000609287703 342100410 /nfs/dbraw/zinc/10/04/10/342100410.db2.gz UWCLCTYSMQZGLH-JTQLQIEISA-N 0 3 291.311 1.373 20 5 CDBDHN CN(C)CCN(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593499811 342808551 /nfs/dbraw/zinc/80/85/51/342808551.db2.gz CLQNQLYAWMTGDH-UHFFFAOYSA-N 0 3 283.303 1.296 20 5 CDBDHN CC[C@@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000129997746 342205118 /nfs/dbraw/zinc/20/51/18/342205118.db2.gz DHFOYHAPGJRGCF-LLVKDONJSA-N 0 3 294.355 1.559 20 5 CDBDHN CC[C@@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130209329 342209914 /nfs/dbraw/zinc/20/99/14/342209914.db2.gz HTKZAOVNRTXSSC-MWLCHTKSSA-N 0 3 265.313 1.818 20 5 CDBDHN CN(C)CCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000594649632 342931772 /nfs/dbraw/zinc/93/17/72/342931772.db2.gz DAADPFYGBAGZDL-UHFFFAOYSA-N 0 3 275.312 1.339 20 5 CDBDHN Cc1cccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1[N+](=O)[O-] ZINC000595260510 343014429 /nfs/dbraw/zinc/01/44/29/343014429.db2.gz AASQIPMPJVWLFZ-GHMZBOCLSA-N 0 3 281.287 1.415 20 5 CDBDHN Cc1noc(CN2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595480908 343065023 /nfs/dbraw/zinc/06/50/23/343065023.db2.gz ASODQDUDYLFMEY-PWSUYJOCSA-N 0 3 294.355 1.950 20 5 CDBDHN CC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000595766608 343145624 /nfs/dbraw/zinc/14/56/24/343145624.db2.gz XCMXANINHCGQQL-LBPRGKRZSA-N 0 3 277.324 1.972 20 5 CDBDHN Cc1n[nH]c(C(=O)N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000265322858 362132334 /nfs/dbraw/zinc/13/23/34/362132334.db2.gz QXHGCVGPSAVOEV-JTQLQIEISA-N 0 3 295.343 1.040 20 5 CDBDHN C[NH+](C)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596079171 343226978 /nfs/dbraw/zinc/22/69/78/343226978.db2.gz KCHUSWVLDRGYKH-UHFFFAOYSA-N 0 3 280.328 1.982 20 5 CDBDHN O=c1[n-]ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596135592 343239626 /nfs/dbraw/zinc/23/96/26/343239626.db2.gz XCOCSIRKAQYSJY-LLVKDONJSA-N 0 3 292.339 1.618 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(C)C2(CCCCC2)C1 ZINC000596251796 343274783 /nfs/dbraw/zinc/27/47/83/343274783.db2.gz YIPALPOAILJGSS-UHFFFAOYSA-N 0 3 293.371 1.783 20 5 CDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598265394 343744594 /nfs/dbraw/zinc/74/45/94/343744594.db2.gz SOKBQOGCVLKHQZ-LLVKDONJSA-N 0 3 294.355 1.773 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])s1 ZINC000249104793 362255125 /nfs/dbraw/zinc/25/51/25/362255125.db2.gz WYGVPARGQQQKDT-DTWKUNHWSA-N 0 3 270.358 1.828 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@@H](C)CO)CC1 ZINC000602862671 344617969 /nfs/dbraw/zinc/61/79/69/344617969.db2.gz DVXOAIQJNYIMQM-NSHDSACASA-N 0 3 296.371 1.440 20 5 CDBDHN Cc1c(Cn2cc(CCN(C)C)nn2)cccc1[N+](=O)[O-] ZINC000603198777 344731349 /nfs/dbraw/zinc/73/13/49/344731349.db2.gz PWLAUSPMDVWUGU-UHFFFAOYSA-N 0 3 289.339 1.647 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](n3ccnc3)C2)n1 ZINC000610485186 346291894 /nfs/dbraw/zinc/29/18/94/346291894.db2.gz VMTRENYFXGRAAB-GFCCVEGCSA-N 0 3 290.327 1.325 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](C)C1 ZINC000610655812 346337274 /nfs/dbraw/zinc/33/72/74/346337274.db2.gz AUBLTHLHQPVMBG-SNVBAGLBSA-N 0 3 252.318 1.832 20 5 CDBDHN CN(C)CCO[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000610764472 346399468 /nfs/dbraw/zinc/39/94/68/346399468.db2.gz VMQCNJYNQBZRCP-NSHDSACASA-N 0 3 280.328 1.147 20 5 CDBDHN CC1CCN(C[C@H](O)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344409831 362753769 /nfs/dbraw/zinc/75/37/69/362753769.db2.gz ARSQNIVHNKNCNP-CYBMUJFWSA-N 0 3 294.355 1.495 20 5 CDBDHN CC(C)(C)CN(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185122 346634018 /nfs/dbraw/zinc/63/40/18/346634018.db2.gz FYWOEUCUBKNNLW-UHFFFAOYSA-N 0 3 297.355 1.097 20 5 CDBDHN CC(=O)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000152928941 347634209 /nfs/dbraw/zinc/63/42/09/347634209.db2.gz QBDQJJCRMRXXSS-GFCCVEGCSA-N 0 3 263.297 1.305 20 5 CDBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000025149368 348620305 /nfs/dbraw/zinc/62/03/05/348620305.db2.gz YJBXZNIMGYRAAL-JTQLQIEISA-N 0 3 265.313 1.204 20 5 CDBDHN Cc1cc(C(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000067701810 349033566 /nfs/dbraw/zinc/03/35/66/349033566.db2.gz WQQDGKJDODBQQY-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)C(C)C ZINC000092400559 180377247 /nfs/dbraw/zinc/37/72/47/180377247.db2.gz SNGVRXUVWKWIAE-GFCCVEGCSA-N 0 3 268.313 1.710 20 5 CDBDHN C[C@H](CN1CCOCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036932633 363293330 /nfs/dbraw/zinc/29/33/30/363293330.db2.gz MGZMLKUGHUUQJC-OLZOCXBDSA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@H](CN1CCOCC1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000036933006 363293679 /nfs/dbraw/zinc/29/36/79/363293679.db2.gz IJEFIICDPMQJNU-OLZOCXBDSA-N 0 3 293.367 1.966 20 5 CDBDHN CN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273505903 192179817 /nfs/dbraw/zinc/17/98/17/192179817.db2.gz WADSGEYDZNOPKE-JTQLQIEISA-N 0 3 296.302 1.950 20 5 CDBDHN Cc1c(CN[C@@H](CO)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411998522 363402421 /nfs/dbraw/zinc/40/24/21/363402421.db2.gz WGPWZOQRPKFKPK-KGLIPLIRSA-N 0 3 294.351 1.780 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)C2CC2)c(F)c1 ZINC000336790325 356262897 /nfs/dbraw/zinc/26/28/97/356262897.db2.gz LCHPGCUVRHSHNX-GFCCVEGCSA-N 0 3 254.261 1.594 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CC[C@@H](O)C2)c(F)c1 ZINC000336808361 356272883 /nfs/dbraw/zinc/27/28/83/356272883.db2.gz BROFZHQCBWSCOH-BXKDBHETSA-N 0 3 268.288 1.985 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@@H](O)C2)c(F)c1 ZINC000336808363 356274108 /nfs/dbraw/zinc/27/41/08/356274108.db2.gz BROFZHQCBWSCOH-JOYOIKCWSA-N 0 3 268.288 1.985 20 5 CDBDHN O=[N+]([O-])c1cc(F)c(NC[C@@H]2CNCCO2)c(F)c1 ZINC000236205913 140239106 /nfs/dbraw/zinc/23/91/06/140239106.db2.gz VYIYZQLBHXZNCD-QMMMGPOBSA-N 0 3 273.239 1.273 20 5 CDBDHN COc1cc(C[NH2+]C2CCC2)c([N+](=O)[O-])cc1[O-] ZINC000264580511 357386888 /nfs/dbraw/zinc/38/68/88/357386888.db2.gz YZDXQAKSRLQOTE-UHFFFAOYSA-N 0 3 252.270 1.951 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610708856 357827342 /nfs/dbraw/zinc/82/73/42/357827342.db2.gz WPMKECKTHMVHAH-PRHODGIISA-N 0 3 278.312 1.135 20 5 CDBDHN COc1cc(C(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000287254484 358353990 /nfs/dbraw/zinc/35/39/90/358353990.db2.gz REEQAPYYXAEJGQ-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN CO[C@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451851864 359086432 /nfs/dbraw/zinc/08/64/32/359086432.db2.gz NDQCDUJTMGALSM-NEPJUHHUSA-N 0 3 294.355 1.681 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000081524347 359129084 /nfs/dbraw/zinc/12/90/84/359129084.db2.gz NJBJMSUIDZQEGT-SNVBAGLBSA-N 0 3 265.313 1.409 20 5 CDBDHN C[C@@H](NC(=O)[C@H](C)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000296523671 199919557 /nfs/dbraw/zinc/91/95/57/199919557.db2.gz SFIVDCZBGKWGLY-ZJUUUORDSA-N 0 3 277.324 1.913 20 5 CDBDHN Cc1[nH]ncc1CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000297337163 200152844 /nfs/dbraw/zinc/15/28/44/200152844.db2.gz FILTYUHAQLPGLE-UHFFFAOYSA-N 0 3 288.307 1.890 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000514783990 360225753 /nfs/dbraw/zinc/22/57/53/360225753.db2.gz ZUJKIYGJHOTNBE-WDEREUQCSA-N 0 3 292.339 1.487 20 5 CDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H](C)N1 ZINC000235659145 360234730 /nfs/dbraw/zinc/23/47/30/360234730.db2.gz ZARCHGTVCVVAKJ-OCAPTIKFSA-N 0 3 270.720 1.830 20 5 CDBDHN Cc1cnn([C@@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000289709509 360336836 /nfs/dbraw/zinc/33/68/36/360336836.db2.gz CFKGISHMQMGDLX-GFCCVEGCSA-N 0 3 290.327 1.243 20 5 CDBDHN COC[C@]1(CO)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000451924611 360313659 /nfs/dbraw/zinc/31/36/59/360313659.db2.gz JGZCNHRYRRDVJD-OAHLLOKOSA-N 0 3 294.351 1.734 20 5 CDBDHN C[C@]1(O)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177978919 189083274 /nfs/dbraw/zinc/08/32/74/189083274.db2.gz IMGOOXBZVYCFAY-ZDUSSCGKSA-N 0 3 266.297 1.430 20 5 CDBDHN Cc1c(CC(=O)NCCN2CCCC2)cccc1[N+](=O)[O-] ZINC000178558052 238372454 /nfs/dbraw/zinc/37/24/54/238372454.db2.gz HFUKOMMWVYWMCS-UHFFFAOYSA-N 0 3 291.351 1.658 20 5 CDBDHN C[C@H]1C[C@@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340905673 363782975 /nfs/dbraw/zinc/78/29/75/363782975.db2.gz OKFQJADMWGNXMO-CMPLNLGQSA-N 0 3 266.297 1.429 20 5 CDBDHN C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000455430203 252392918 /nfs/dbraw/zinc/39/29/18/252392918.db2.gz KDZXHXGGYFRJCS-NSHDSACASA-N 0 3 294.355 1.686 20 5 CDBDHN Cc1c(CNCCc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000093650141 364886194 /nfs/dbraw/zinc/88/61/94/364886194.db2.gz XRMDCRYKFQHGFA-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN CC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270903536 366942839 /nfs/dbraw/zinc/94/28/39/366942839.db2.gz MWOJFFRVXBAKEO-SMDDNHRTSA-N 0 3 280.324 1.676 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCC(N)=O ZINC000348832652 368069872 /nfs/dbraw/zinc/06/98/72/368069872.db2.gz KEQTYWATWHWZFD-FLIBITNWSA-N 0 3 277.324 1.805 20 5 CDBDHN C[C@@H](CN1CCOCC1)NCc1csc([N+](=O)[O-])c1 ZINC000037562760 369080327 /nfs/dbraw/zinc/08/03/27/369080327.db2.gz PLBIYLLQXPQPOZ-JTQLQIEISA-N 0 3 285.369 1.467 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000139753470 370977426 /nfs/dbraw/zinc/97/74/26/370977426.db2.gz DMMUKHQTESOLCB-CYBMUJFWSA-N 0 3 292.339 1.488 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000330907248 203378713 /nfs/dbraw/zinc/37/87/13/203378713.db2.gz NRQKSBWSTPSNNV-RKDXNWHRSA-N 0 3 283.353 1.869 20 5 CDBDHN COC(=O)c1cnc(NC[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000276598615 193395706 /nfs/dbraw/zinc/39/57/06/193395706.db2.gz ATMVCFPLWYNWAU-VIFPVBQESA-N 0 3 294.311 1.140 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000037669802 369881709 /nfs/dbraw/zinc/88/17/09/369881709.db2.gz AHVYCGNKMSHIIJ-VIFPVBQESA-N 0 3 281.287 1.415 20 5 CDBDHN Cc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000129901736 370127893 /nfs/dbraw/zinc/12/78/93/370127893.db2.gz ZYPKLRFGCFPGTK-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN CNC(=O)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298697724 371487311 /nfs/dbraw/zinc/48/73/11/371487311.db2.gz OEGNILWVFNQOSB-NXEZZACHSA-N 0 3 265.313 1.770 20 5 CDBDHN C[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)C1=CCN(C)CC1 ZINC000272900846 372328443 /nfs/dbraw/zinc/32/84/43/372328443.db2.gz ISEULIHUKDVDJG-MRVPVSSYSA-N 0 3 278.316 1.029 20 5 CDBDHN CCN(CCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667585 373505323 /nfs/dbraw/zinc/50/53/23/373505323.db2.gz SYHQPRZHTIWVTP-CYBMUJFWSA-N 0 3 268.313 1.333 20 5 CDBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000298441197 373601199 /nfs/dbraw/zinc/60/11/99/373601199.db2.gz HJNPDAOJYPOYNX-SECBINFHSA-N 0 3 279.296 1.402 20 5 CDBDHN O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000298504272 373740144 /nfs/dbraw/zinc/74/01/44/373740144.db2.gz ZPSVIMPUKJPRQN-SECBINFHSA-N 0 3 295.364 1.870 20 5 CDBDHN CNC(=O)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298697727 373796510 /nfs/dbraw/zinc/79/65/10/373796510.db2.gz OEGNILWVFNQOSB-UWVGGRQHSA-N 0 3 265.313 1.770 20 5 CDBDHN CCN1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000018057058 373972224 /nfs/dbraw/zinc/97/22/24/373972224.db2.gz APFJZNBGNVAHOO-UHFFFAOYSA-N 0 3 292.339 1.590 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000543712585 374205257 /nfs/dbraw/zinc/20/52/57/374205257.db2.gz HEWUUHXKDHQNJK-JTQLQIEISA-N 0 3 292.339 1.249 20 5 CDBDHN COC[C@@H](O)CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308776 374245501 /nfs/dbraw/zinc/24/55/01/374245501.db2.gz ICNXGFRPSZAFEH-ZFWWWQNUSA-N 0 3 294.351 1.959 20 5 CDBDHN C[C@@H]1C[C@H](CO)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420943746 374308138 /nfs/dbraw/zinc/30/81/38/374308138.db2.gz QEPHQHMBOBXDCL-OLZOCXBDSA-N 0 3 294.351 1.924 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000421742234 374330204 /nfs/dbraw/zinc/33/02/04/374330204.db2.gz FWZYOJIGUPFKDS-NSHDSACASA-N 0 3 279.340 1.892 20 5 CDBDHN Cc1ccnc(NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000070496347 374663178 /nfs/dbraw/zinc/66/31/78/374663178.db2.gz MTOJISAEYSWUSJ-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N(C)CCN(C)C1CC1 ZINC000274481707 374674207 /nfs/dbraw/zinc/67/42/07/374674207.db2.gz OGCPHVZZAAYLMM-UHFFFAOYSA-N 0 3 264.329 1.829 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000330567007 374867164 /nfs/dbraw/zinc/86/71/64/374867164.db2.gz BAPGQVPUUVQNPN-CHWSQXEVSA-N 0 3 293.367 1.998 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCC1OCCO1 ZINC000282405361 375084189 /nfs/dbraw/zinc/08/41/89/375084189.db2.gz IELHDBJWYSYLNS-UHFFFAOYSA-N 0 3 280.324 1.832 20 5 CDBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057719536 375566479 /nfs/dbraw/zinc/56/64/79/375566479.db2.gz FCPXYPVAJAGPPB-NSHDSACASA-N 0 3 291.351 1.736 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000194742922 375960513 /nfs/dbraw/zinc/96/05/13/375960513.db2.gz UMBNHKZORHZCCJ-GFCCVEGCSA-N 0 3 293.323 1.184 20 5 CDBDHN CCOc1cc(NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358306900 375960553 /nfs/dbraw/zinc/96/05/53/375960553.db2.gz NKWYPHUJRJSBOV-CQSZACIVSA-N 0 3 295.339 1.472 20 5 CDBDHN COCC[C@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000172070535 377240882 /nfs/dbraw/zinc/24/08/82/377240882.db2.gz VORLLKQPKWVIQN-ZDUSSCGKSA-N 0 3 268.313 1.472 20 5 CDBDHN C[C@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000294295245 377393168 /nfs/dbraw/zinc/39/31/68/377393168.db2.gz NAOAHADTSKUEOK-GDLCADMTSA-N 0 3 280.324 1.785 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](OCCO)C2)cc1 ZINC000172301846 377432571 /nfs/dbraw/zinc/43/25/71/377432571.db2.gz ZPPIZQNJEFKCGV-OAHLLOKOSA-N 0 3 294.351 1.611 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173621188 378728345 /nfs/dbraw/zinc/72/83/45/378728345.db2.gz GZNJMEWHENLCPR-ZDUSSCGKSA-N 0 3 291.351 1.595 20 5 CDBDHN CN(C)CC1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000281105259 195106256 /nfs/dbraw/zinc/10/62/56/195106256.db2.gz QLUZTBPGEHOMAI-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1COC[C@H]1O)CCC2 ZINC000295951344 285145789 /nfs/dbraw/zinc/14/57/89/285145789.db2.gz MFJBVJMFOCPDDV-MGPQQGTHSA-N 0 3 278.308 1.322 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H](CO)CN2CCCCC2)nc1 ZINC000288835923 197175938 /nfs/dbraw/zinc/17/59/38/197175938.db2.gz CBMBCBGTWOSRSY-LLVKDONJSA-N 0 3 280.328 1.249 20 5 CDBDHN COC[C@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000394616998 390188793 /nfs/dbraw/zinc/18/87/93/390188793.db2.gz WHJMTVHRLYSOPT-CYBMUJFWSA-N 0 3 284.312 1.090 20 5 CDBDHN C[C@H](O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570523 390488819 /nfs/dbraw/zinc/48/88/19/390488819.db2.gz PFQWZQOHYJRNQK-WDEREUQCSA-N 0 3 280.328 1.247 20 5 CDBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@@H]2C1 ZINC000286576122 390521198 /nfs/dbraw/zinc/52/11/98/390521198.db2.gz RZNYANPUSVHZQW-BXKDBHETSA-N 0 3 294.330 1.847 20 5 CDBDHN CC(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000340631865 390941958 /nfs/dbraw/zinc/94/19/58/390941958.db2.gz XZHRDRPCAMKNEJ-UHFFFAOYSA-N 0 3 294.355 1.490 20 5 CDBDHN Cc1nc(NCCN2CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000450951154 391500452 /nfs/dbraw/zinc/50/04/52/391500452.db2.gz OZWAHCVKDDDURY-UHFFFAOYSA-N 0 3 279.344 1.401 20 5 CDBDHN CN(C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000416290183 391983512 /nfs/dbraw/zinc/98/35/12/391983512.db2.gz LLHXBOKLAIKLEZ-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN O=C(CNCC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262640902 131245825 /nfs/dbraw/zinc/24/58/25/131245825.db2.gz ZMJVBEXXQAZDPN-UHFFFAOYSA-N 0 3 275.308 1.484 20 5 CDBDHN Cc1sc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262832855 131266327 /nfs/dbraw/zinc/26/63/27/131266327.db2.gz VNFFBPLYGRHJOY-JGVFFNPUSA-N 0 3 283.353 1.787 20 5 CDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000368588237 392936674 /nfs/dbraw/zinc/93/66/74/392936674.db2.gz DFFRFEJGVBLZHP-GWCFXTLKSA-N 0 3 290.323 1.156 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080414 393065959 /nfs/dbraw/zinc/06/59/59/393065959.db2.gz WRBGGPFLCBLPQM-CABZTGNLSA-N 0 3 292.339 1.146 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C)C1 ZINC000449112807 393129548 /nfs/dbraw/zinc/12/95/48/393129548.db2.gz SUQXSYPDVHMRIV-PWSUYJOCSA-N 0 3 277.324 1.346 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H](O)C(F)F ZINC000449176774 393132270 /nfs/dbraw/zinc/13/22/70/393132270.db2.gz ULLKKZMGNZZAAP-KCJUWKMLSA-N 0 3 274.267 1.741 20 5 CDBDHN CNC(=O)C[C@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000449602545 393136094 /nfs/dbraw/zinc/13/60/94/393136094.db2.gz PBZSRJXHJLTWPU-ZRQQLDRUSA-N 0 3 277.324 1.722 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000449665944 393137415 /nfs/dbraw/zinc/13/74/15/393137415.db2.gz RMEIGTRPUNKYGC-NSHDSACASA-N 0 3 299.277 1.630 20 5 CDBDHN C[C@@H](CC[S@](C)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000228346740 140194682 /nfs/dbraw/zinc/19/46/82/140194682.db2.gz PJNNDKVNPWILDV-YPMLDQLKSA-N 0 3 270.354 1.842 20 5 CDBDHN C[C@@H](NC(=O)[C@@]1(F)CCNC1)c1cccc([N+](=O)[O-])c1 ZINC000178401339 148058520 /nfs/dbraw/zinc/05/85/20/148058520.db2.gz ZJNLKIMTVSURFU-NOZJJQNGSA-N 0 3 281.287 1.474 20 5 CDBDHN CCCCN(C)CCNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000352462585 155202282 /nfs/dbraw/zinc/20/22/82/155202282.db2.gz SVCXMCCXFLIURB-UHFFFAOYSA-N 0 3 297.359 1.342 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@H]1C ZINC000343071561 152021020 /nfs/dbraw/zinc/02/10/20/152021020.db2.gz FTPINOSKRMRRAG-GHMZBOCLSA-N 0 3 294.355 1.916 20 5 CDBDHN Cc1cc(C(=O)NCCOCCN(C)C)cc([N+](=O)[O-])c1 ZINC000345932080 153000337 /nfs/dbraw/zinc/00/03/37/153000337.db2.gz MTDRKJQSNQIXRT-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000346127257 153062067 /nfs/dbraw/zinc/06/20/67/153062067.db2.gz CHXAJPOHHZNHJU-SECBINFHSA-N 0 3 283.303 1.343 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000346270334 153119365 /nfs/dbraw/zinc/11/93/65/153119365.db2.gz QNLZFURRAIUMJA-LLVKDONJSA-N 0 3 294.355 1.463 20 5 CDBDHN C[C@@H](CO)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349299891 154084450 /nfs/dbraw/zinc/08/44/50/154084450.db2.gz RTOZNFQEENFOJP-XOIDGJRKSA-N 0 3 250.298 1.921 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCSC2)c(F)c1 ZINC000350289557 154360604 /nfs/dbraw/zinc/36/06/04/154360604.db2.gz RBBWGIQTGSKVRB-LBPRGKRZSA-N 0 3 286.328 1.692 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CCOCC3)CC2)n1 ZINC000375292009 160362768 /nfs/dbraw/zinc/36/27/68/160362768.db2.gz KWSXNFAIHDLGGH-UHFFFAOYSA-N 0 3 294.355 1.684 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCC(C)CC1 ZINC000285123205 196201068 /nfs/dbraw/zinc/20/10/68/196201068.db2.gz MVDMWYQRQLJSJC-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN COc1ccc(OCCN(C)C2(CO)CC2)c([N+](=O)[O-])c1 ZINC000285571938 196330356 /nfs/dbraw/zinc/33/03/56/196330356.db2.gz SOFMKZIDYDUIFI-UHFFFAOYSA-N 0 3 296.323 1.439 20 5 CDBDHN C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000038083178 174092609 /nfs/dbraw/zinc/09/26/09/174092609.db2.gz NHQAPFZJELNTTG-WDEREUQCSA-N 0 3 298.364 1.680 20 5 CDBDHN Cc1cnc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000397906149 270352537 /nfs/dbraw/zinc/35/25/37/270352537.db2.gz WFIDHUYHIPEJGA-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCN2CCC(O)CC2)c(F)c1 ZINC000321761202 270330550 /nfs/dbraw/zinc/33/05/50/270330550.db2.gz DJYHYMNRZOWWGR-UHFFFAOYSA-N 0 3 297.330 1.280 20 5 CDBDHN CN1CCC[C@@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292915185 277072816 /nfs/dbraw/zinc/07/28/16/277072816.db2.gz XUMFQLNFVXVUJZ-CQSZACIVSA-N 0 3 276.340 1.912 20 5 CDBDHN Cc1cc(C(=O)NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000108347000 279306070 /nfs/dbraw/zinc/30/60/70/279306070.db2.gz HYWOTYMDJLHZAN-GFCCVEGCSA-N 0 3 291.351 1.975 20 5 CDBDHN CC(C)N(C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288571483 279350012 /nfs/dbraw/zinc/35/00/12/279350012.db2.gz ZWEYSQAFWKWRPG-UHFFFAOYSA-N 0 3 293.367 1.936 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000262885609 280049786 /nfs/dbraw/zinc/04/97/86/280049786.db2.gz WJVXISCQAIQIBX-RKDXNWHRSA-N 0 3 281.287 1.556 20 5 CDBDHN C[C@H]1[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCCN1C ZINC000447684583 280116191 /nfs/dbraw/zinc/11/61/91/280116191.db2.gz BTOPQCNJLSSIRE-GXSJLCMTSA-N 0 3 289.339 1.788 20 5 CDBDHN Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H]2N)c([N+](=O)[O-])c1 ZINC000424131483 280916086 /nfs/dbraw/zinc/91/60/86/280916086.db2.gz VEGKJZSUOWAQRM-MNOVXSKESA-N 0 3 292.339 1.169 20 5 CDBDHN Cc1cc(CNCCOc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000561188364 293060004 /nfs/dbraw/zinc/06/00/04/293060004.db2.gz BJEFQCPSRDFQMH-UHFFFAOYSA-N 0 3 290.323 1.805 20 5 CDBDHN CC[C@H](N[C@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323370680 535948367 /nfs/dbraw/zinc/94/83/67/535948367.db2.gz DYQHDAGOIQMETC-AVGNSLFASA-N 0 3 266.297 1.395 20 5 CDBDHN CC(C)(CNCc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000020120737 519268981 /nfs/dbraw/zinc/26/89/81/519268981.db2.gz HVVOACWJWNVNGH-UHFFFAOYSA-N 0 3 293.367 1.795 20 5 CDBDHN COc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262761305 536888584 /nfs/dbraw/zinc/88/85/84/536888584.db2.gz IMXOJZQKQSHYNU-ZJUUUORDSA-N 0 3 293.323 1.426 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CCO)C1CC1 ZINC000763067613 576707852 /nfs/dbraw/zinc/70/78/52/576707852.db2.gz PJGJQLLUSSEHNO-ZDUSSCGKSA-N 0 3 280.324 1.854 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000892648289 617559700 /nfs/dbraw/zinc/55/97/00/617559700.db2.gz HTQXASYHETVGDJ-JTQLQIEISA-N 0 3 296.323 1.825 20 5 CDBDHN CC(=O)c1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000893047511 618099437 /nfs/dbraw/zinc/09/94/37/618099437.db2.gz MKQHHODROJJIMM-SSDOTTSWSA-N 0 3 252.226 1.106 20 5 CDBDHN CC[C@H](CO)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000915875425 631848914 /nfs/dbraw/zinc/84/89/14/631848914.db2.gz JKSYYKXNRAUDSY-VHSXEESVSA-N 0 3 281.312 1.282 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(Cc3ccco3)CC2)C1 ZINC001169029700 1161997358 /nfs/dbraw/zinc/99/73/58/1161997358.db2.gz VGSHSDMUYAWCIX-KGLIPLIRSA-N 0 3 293.367 1.843 20 5 CDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000813100203 1163804171 /nfs/dbraw/zinc/80/41/71/1163804171.db2.gz PDXXGKDJTPPGLL-MRVPVSSYSA-N 0 3 268.225 1.725 20 5 CDBDHN CCc1noc2ncc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813115039 1163817912 /nfs/dbraw/zinc/81/79/12/1163817912.db2.gz JMJDXLNWGKGJEF-ZETCQYMHSA-N 0 3 279.252 1.607 20 5 CDBDHN Cc1cc2nc(C)cc(C(=O)OCC(C)[N+](=O)[O-])n2n1 ZINC000813114849 711870117 /nfs/dbraw/zinc/87/01/17/711870117.db2.gz XAJNNOPECNMTOR-SECBINFHSA-N 0 3 278.268 1.168 20 5 CDBDHN C[C@@H](NC[C@@H]1CCC(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000851897841 712092040 /nfs/dbraw/zinc/09/20/40/712092040.db2.gz RKWFGRXFZLXNEM-SKDRFNHKSA-N 0 3 264.281 1.951 20 5 CDBDHN N[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000817959326 712100749 /nfs/dbraw/zinc/10/07/49/712100749.db2.gz AWCUBZQCKDBSBB-LBPRGKRZSA-N 0 3 297.742 1.992 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CCC2(CCOC2)CC1 ZINC000886091563 712113615 /nfs/dbraw/zinc/11/36/15/712113615.db2.gz CQXQSLPBMPCLJP-UHFFFAOYSA-N 0 3 277.324 1.992 20 5 CDBDHN C[C@H](NC(=O)[C@@H](N)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000312443679 712186051 /nfs/dbraw/zinc/18/60/51/712186051.db2.gz WCJSFNZHEXTVIQ-ZANVPECISA-N 0 3 277.324 1.899 20 5 CDBDHN Cc1c(Cn2cc([C@H](C)N)nn2)cccc1[N+](=O)[O-] ZINC000124178661 712484158 /nfs/dbraw/zinc/48/41/58/712484158.db2.gz TXVWXXDSTQHJRD-VIFPVBQESA-N 0 3 261.285 1.563 20 5 CDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OC ZINC000813107082 712517406 /nfs/dbraw/zinc/51/74/06/712517406.db2.gz LVGIYTSNFYPJKQ-QMMMGPOBSA-N 0 3 299.279 1.534 20 5 CDBDHN C[C@H](N)c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000881226494 712761253 /nfs/dbraw/zinc/76/12/53/712761253.db2.gz ZXYNKGLQOUEVQJ-LURJTMIESA-N 0 3 253.287 1.316 20 5 CDBDHN CC1(C)[C@H](O)C[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000128571603 909720344 /nfs/dbraw/zinc/72/03/44/909720344.db2.gz CVKNLZGNRGIONQ-VXGBXAGGSA-N 0 3 268.288 1.983 20 5 CDBDHN CN(C(=O)c1cc([N+](=O)[O-])ccc1F)C1CCN(C)CC1 ZINC000037285978 910661722 /nfs/dbraw/zinc/66/17/22/910661722.db2.gz SLLFWNMODNHKBU-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN CC(COC(=O)C[C@H]1COc2ccccc2O1)[N+](=O)[O-] ZINC000835457733 936734515 /nfs/dbraw/zinc/73/45/15/936734515.db2.gz ZXIVIJFDZDYUHQ-UWVGGRQHSA-N 0 3 281.264 1.425 20 5 CDBDHN COc1cc(C)c([N+](=O)[O-])cc1-n1nccc1CN ZINC001162593217 922795084 /nfs/dbraw/zinc/79/50/84/922795084.db2.gz CJITYZHCUNCIQW-UHFFFAOYSA-N 0 3 262.269 1.556 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CC(N3CCC(F)CC3)C2)C1 ZINC001169034138 927640636 /nfs/dbraw/zinc/64/06/36/927640636.db2.gz FNHVNNPTTIMSLT-AAEUAGOBSA-N 0 3 285.363 1.550 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3cccnc3C2)C1 ZINC001169036133 927643631 /nfs/dbraw/zinc/64/36/31/927643631.db2.gz FMCPCMIGELUMDY-DGCLKSJQSA-N 0 3 261.325 1.885 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ccncn3)CC2)C1 ZINC001169035560 927645117 /nfs/dbraw/zinc/64/51/17/927645117.db2.gz CCEQXWSRTJCSIV-OLZOCXBDSA-N 0 3 291.355 1.044 20 5 CDBDHN C[C@H](N)c1ccn(-c2cnc(F)c([N+](=O)[O-])c2)n1 ZINC001169235404 927816568 /nfs/dbraw/zinc/81/65/68/927816568.db2.gz VTCGGVPQOQTWNC-LURJTMIESA-N 0 3 251.221 1.334 20 5 CDBDHN C[C@H](N)c1ccn(-c2ncc3cccc([N+](=O)[O-])c3n2)n1 ZINC001169231715 927843113 /nfs/dbraw/zinc/84/31/13/927843113.db2.gz QKHGNGBXORDOHK-QMMMGPOBSA-N 0 3 284.279 1.743 20 5 CDBDHN NCc1cnnn1-c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001169309905 927947282 /nfs/dbraw/zinc/94/72/82/927947282.db2.gz OZCHPFFCWQMWLX-UHFFFAOYSA-N 0 3 287.201 1.653 20 5 CDBDHN O=C(CC1CC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154111478 937504839 /nfs/dbraw/zinc/50/48/39/937504839.db2.gz CCVUIONQOHJRFI-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN COCCNCC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122166873 937910048 /nfs/dbraw/zinc/91/00/48/937910048.db2.gz OUAZMXDWDDUGPD-SNVBAGLBSA-N 0 3 281.312 1.008 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001157259876 938470441 /nfs/dbraw/zinc/47/04/41/938470441.db2.gz GQOAMDGACZCCCQ-WCQYABFASA-N 0 3 276.340 1.829 20 5 CDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001157270877 938473542 /nfs/dbraw/zinc/47/35/42/938473542.db2.gz GMGTXMJVSDVRJC-WCQYABFASA-N 0 3 292.339 1.067 20 5 CDBDHN NCc1cnnn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001158428424 938623681 /nfs/dbraw/zinc/62/36/81/938623681.db2.gz XFALUMWMAHJYKF-UHFFFAOYSA-N 0 3 297.278 1.091 20 5 CDBDHN COc1cnc(N[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001163385598 939260001 /nfs/dbraw/zinc/26/00/01/939260001.db2.gz DNIVVRLNUYPPQW-JTQLQIEISA-N 0 3 278.312 1.505 20 5 CDBDHN CN(C)C1(C)CN(c2nc(Cl)ncc2[N+](=O)[O-])C1 ZINC001165116452 939512060 /nfs/dbraw/zinc/51/20/60/939512060.db2.gz BJNAKGUFJIJXOE-UHFFFAOYSA-N 0 3 271.708 1.179 20 5 CDBDHN CO[C@@H]1CCN(CCOc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001225386098 941851687 /nfs/dbraw/zinc/85/16/87/941851687.db2.gz XGNAMBYCKJAROK-LLVKDONJSA-N 0 3 284.287 1.833 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NC1CCC1 ZINC001254547486 947517691 /nfs/dbraw/zinc/51/76/91/947517691.db2.gz ITZAJALAHRDIKF-LLVKDONJSA-N 0 3 291.351 1.784 20 5 CDBDHN N[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603434 948337909 /nfs/dbraw/zinc/33/79/09/948337909.db2.gz YLJFOWHDSBKELK-OPRDCNLKSA-N 0 3 263.288 1.100 20 5 CDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CC=CC2)cc1 ZINC001336727942 960511430 /nfs/dbraw/zinc/51/14/30/960511430.db2.gz LKEVNUCCZGBRGO-UHFFFAOYSA-N 0 3 296.348 1.677 20 5 CDBDHN C[C@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001338831789 962024793 /nfs/dbraw/zinc/02/47/93/962024793.db2.gz BLQRPFLLAWIIDK-SNVBAGLBSA-N 0 3 296.375 1.073 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@@H](CO)C1 ZINC000601140356 342479750 /nfs/dbraw/zinc/47/97/50/342479750.db2.gz URFOMVNUMIQVDH-KLPPZKSPSA-N 0 3 280.324 1.854 20 5 CDBDHN Cc1cc(N2C[C@@H](C)N[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000092026669 342516744 /nfs/dbraw/zinc/51/67/44/342516744.db2.gz PFIGXIUOEYVMKL-AOOOYVTPSA-N 0 3 250.302 1.485 20 5 CDBDHN CC(C)(C)N1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000609075328 342089901 /nfs/dbraw/zinc/08/99/01/342089901.db2.gz NNDKCTHVZFJTPD-UHFFFAOYSA-N 0 3 294.359 1.108 20 5 CDBDHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000130209127 342209859 /nfs/dbraw/zinc/20/98/59/342209859.db2.gz HTKZAOVNRTXSSC-GXSJLCMTSA-N 0 3 265.313 1.818 20 5 CDBDHN C[C@H](NC[C@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000600707978 342243344 /nfs/dbraw/zinc/24/33/44/342243344.db2.gz CERFVIVJSCTBHU-JQWIXIFHSA-N 0 3 265.313 1.234 20 5 CDBDHN Cc1c([C@H](C)NC[C@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000600709266 342243358 /nfs/dbraw/zinc/24/33/58/342243358.db2.gz HXDLIQPNKMQEHS-RYUDHWBXSA-N 0 3 279.340 1.542 20 5 CDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000609382501 342263623 /nfs/dbraw/zinc/26/36/23/342263623.db2.gz BULIUTQMKXLKBW-GFCCVEGCSA-N 0 3 289.335 1.809 20 5 CDBDHN COC[C@@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503630 342914327 /nfs/dbraw/zinc/91/43/27/342914327.db2.gz FQQRGQKPNJVGIN-BXKDBHETSA-N 0 3 266.297 1.179 20 5 CDBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000274134169 539101516 /nfs/dbraw/zinc/10/15/16/539101516.db2.gz YQYLWWGVONOOCA-JOYOIKCWSA-N 0 3 293.323 1.208 20 5 CDBDHN C[C@H]1OCC[C@]1(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494255605 539113996 /nfs/dbraw/zinc/11/39/96/539113996.db2.gz BVTFMFGHLLNKJR-OTYXRUKQSA-N 0 3 293.323 1.351 20 5 CDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCCC[C@@H]1C ZINC000076744867 342324678 /nfs/dbraw/zinc/32/46/78/342324678.db2.gz LUGOMAJAPDISMB-UWVGGRQHSA-N 0 3 294.359 1.642 20 5 CDBDHN C[C@@H](NCCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000290109608 362101804 /nfs/dbraw/zinc/10/18/04/362101804.db2.gz YHGUPMSEDKMUOA-SNVBAGLBSA-N 0 3 278.312 1.271 20 5 CDBDHN C[C@@H](O)[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000595769049 343146474 /nfs/dbraw/zinc/14/64/74/343146474.db2.gz IVHNOVIDECDNOA-ZWNOBZJWSA-N 0 3 250.298 1.940 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600964439 342351157 /nfs/dbraw/zinc/35/11/57/342351157.db2.gz ABICACSHYREPRL-JTQLQIEISA-N 0 3 295.314 1.948 20 5 CDBDHN C[NH+](C)[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCSC1 ZINC000596148864 343244442 /nfs/dbraw/zinc/24/44/42/343244442.db2.gz HOXVGACRRJBVHW-GFCCVEGCSA-N 0 3 298.368 1.545 20 5 CDBDHN Cc1cc(C(=O)NC[C@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC000147785066 342436914 /nfs/dbraw/zinc/43/69/14/342436914.db2.gz OGSVFXQJGJCESR-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646664 343856459 /nfs/dbraw/zinc/85/64/59/343856459.db2.gz WINVFKOECNRMSJ-CHWSQXEVSA-N 0 3 294.351 1.924 20 5 CDBDHN COCCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000599506445 344077751 /nfs/dbraw/zinc/07/77/51/344077751.db2.gz BDAFRZDFGNBUHD-UHFFFAOYSA-N 0 3 282.344 1.540 20 5 CDBDHN CCN[C@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602462773 344439947 /nfs/dbraw/zinc/43/99/47/344439947.db2.gz QYNPQDLVSXMGCT-SNVBAGLBSA-N 0 3 279.340 1.944 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCNC(=O)C1 ZINC000602550202 344464126 /nfs/dbraw/zinc/46/41/26/344464126.db2.gz KRMOQONKZOFEAU-NSHDSACASA-N 0 3 293.323 1.362 20 5 CDBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000602651651 344516595 /nfs/dbraw/zinc/51/65/95/344516595.db2.gz KLDTVKICTCZGGQ-JTQLQIEISA-N 0 3 283.303 1.201 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@H]1C ZINC000602778642 344594000 /nfs/dbraw/zinc/59/40/00/344594000.db2.gz MSOFMKSXSXDTGF-NXEZZACHSA-N 0 3 252.318 1.830 20 5 CDBDHN CCC1(O)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602784549 344598433 /nfs/dbraw/zinc/59/84/33/344598433.db2.gz RZYJNKZUEDNJPH-UHFFFAOYSA-N 0 3 282.344 1.337 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000602795315 344586654 /nfs/dbraw/zinc/58/66/54/344586654.db2.gz AIBMAMAPOXRDCQ-QWRGUYRKSA-N 0 3 281.360 1.124 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@@H](CO)C1 ZINC000602914147 344647451 /nfs/dbraw/zinc/64/74/51/344647451.db2.gz RUFIPKOTGPJKOE-ZYHUDNBSSA-N 0 3 282.344 1.050 20 5 CDBDHN CN(C)CCc1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000603187243 344728241 /nfs/dbraw/zinc/72/82/41/344728241.db2.gz OYWXCLPABVIVIH-UHFFFAOYSA-N 0 3 275.312 1.339 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC2(CO)CCC2)c(F)c1 ZINC000344357385 362575717 /nfs/dbraw/zinc/57/57/17/362575717.db2.gz XZTASSSVVFIWAM-UHFFFAOYSA-N 0 3 268.288 1.986 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000212555450 346118791 /nfs/dbraw/zinc/11/87/91/346118791.db2.gz QGQQYLBHHRVPPB-UXFRKABBSA-N 0 3 289.335 1.817 20 5 CDBDHN COC[C@@H](CCO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515669954 362957187 /nfs/dbraw/zinc/95/71/87/362957187.db2.gz FSSJOAGDGMBUHS-ZWNOBZJWSA-N 0 3 280.324 1.569 20 5 CDBDHN Cn1ccc(CCNCc2ccccc2[N+](=O)[O-])n1 ZINC000230880111 140214065 /nfs/dbraw/zinc/21/40/65/140214065.db2.gz WYNSXNVIRVAASR-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN Nc1ccc(N[C@H]2CCN(C3CC3)C2)nc1[N+](=O)[O-] ZINC000311642362 350702331 /nfs/dbraw/zinc/70/23/31/350702331.db2.gz LECCVPZCYZSUPS-QMMMGPOBSA-N 0 3 263.301 1.221 20 5 CDBDHN CN1CCC(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000144440754 187912074 /nfs/dbraw/zinc/91/20/74/187912074.db2.gz USGPMHRMOOPLFC-UHFFFAOYSA-N 0 3 277.324 1.553 20 5 CDBDHN CC(C)[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000292517077 198317944 /nfs/dbraw/zinc/31/79/44/198317944.db2.gz QHBIZRINJHUOCO-SNVBAGLBSA-N 0 3 277.284 1.393 20 5 CDBDHN COc1ccc(CN(C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157353003 188312138 /nfs/dbraw/zinc/31/21/38/188312138.db2.gz SEDKJXATUORXIC-UHFFFAOYSA-N 0 3 290.323 1.932 20 5 CDBDHN COC[C@@H]1C[C@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000411921644 363381103 /nfs/dbraw/zinc/38/11/03/363381103.db2.gz KBUXZRJGXCSVAW-STQMWFEESA-N 0 3 296.323 1.055 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2=CCN(C)CC2)c1 ZINC000271880692 191386487 /nfs/dbraw/zinc/38/64/87/191386487.db2.gz BZKPYDULVXUQNX-UHFFFAOYSA-N 0 3 289.335 1.895 20 5 CDBDHN CC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)N(C)C ZINC000157618679 356186458 /nfs/dbraw/zinc/18/64/58/356186458.db2.gz MBIKKSYCSSSWBA-LBPRGKRZSA-N 0 3 295.339 1.560 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229939128 356321485 /nfs/dbraw/zinc/32/14/85/356321485.db2.gz GPOGTDNKLYWMAZ-LLVKDONJSA-N 0 3 261.285 1.644 20 5 CDBDHN CCCCCN(CCO)CCn1ccc([N+](=O)[O-])n1 ZINC000176245192 366296812 /nfs/dbraw/zinc/29/68/12/366296812.db2.gz AXGQNQAHDPDOAU-UHFFFAOYSA-N 0 3 270.333 1.276 20 5 CDBDHN C[C@@H](CNc1c([N+](=O)[O-])ncn1C)N1CCC[C@H](C)C1 ZINC000048559874 356905679 /nfs/dbraw/zinc/90/56/79/356905679.db2.gz BEGCHLDNZJIGMX-QWRGUYRKSA-N 0 3 281.360 1.861 20 5 CDBDHN C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)C1CC1 ZINC000181029702 357304640 /nfs/dbraw/zinc/30/46/40/357304640.db2.gz RHWVTEZNQNYFDW-SECBINFHSA-N 0 3 292.339 1.390 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)[C@H]2CCOC2)c(F)c1 ZINC000360763376 357683378 /nfs/dbraw/zinc/68/33/78/357683378.db2.gz JVEABCRBXUKZFS-RYUDHWBXSA-N 0 3 298.314 1.469 20 5 CDBDHN COc1cc(CN[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000361029119 357769190 /nfs/dbraw/zinc/76/91/90/357769190.db2.gz HLVLYGDRNFZMDB-VHSXEESVSA-N 0 3 298.339 1.861 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])s1 ZINC000192456290 358203995 /nfs/dbraw/zinc/20/39/95/358203995.db2.gz LIZLSZOIIUNHKJ-VIFPVBQESA-N 0 3 270.358 1.829 20 5 CDBDHN Cc1ccc(CN2C[C@H](C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000361657690 358403265 /nfs/dbraw/zinc/40/32/65/358403265.db2.gz WKXFYQXIEZIHDL-AAEUAGOBSA-N 0 3 264.325 1.963 20 5 CDBDHN COCCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332665390 358879827 /nfs/dbraw/zinc/87/98/27/358879827.db2.gz CUEBLEYIVQQYBG-UHFFFAOYSA-N 0 3 265.313 1.775 20 5 CDBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351756689 358961304 /nfs/dbraw/zinc/96/13/04/358961304.db2.gz LLQLJMKJVBVCJF-GXFFZTMASA-N 0 3 250.298 1.450 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CN(C)C ZINC000287584467 359017800 /nfs/dbraw/zinc/01/78/00/359017800.db2.gz NUMWGAPWTIJRBV-VIFPVBQESA-N 0 3 296.327 1.675 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000119976611 359052455 /nfs/dbraw/zinc/05/24/55/359052455.db2.gz YKQGIDZNLXTLFS-UHFFFAOYSA-N 0 3 265.313 1.585 20 5 CDBDHN CC(C)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000339832574 359465097 /nfs/dbraw/zinc/46/50/97/359465097.db2.gz YHCUMEYXPIAGQA-GFCCVEGCSA-N 0 3 282.344 1.538 20 5 CDBDHN Cc1c(CN(C)CC2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000162252101 237224441 /nfs/dbraw/zinc/22/44/41/237224441.db2.gz MDZZJWMNVSKEHH-UHFFFAOYSA-N 0 3 294.351 1.877 20 5 CDBDHN CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000270394833 360486942 /nfs/dbraw/zinc/48/69/42/360486942.db2.gz UBKBAFFIJBVETJ-NWDGAFQWSA-N 0 3 296.396 1.780 20 5 CDBDHN C[C@@H](O)C[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179086101 189168056 /nfs/dbraw/zinc/16/80/56/189168056.db2.gz RFCVOWRCFNWOBR-KYOSRNDESA-N 0 3 294.351 1.864 20 5 CDBDHN CO[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000267715390 361353182 /nfs/dbraw/zinc/35/31/82/361353182.db2.gz XHYLLVAXSPXSGT-ZDUSSCGKSA-N 0 3 250.298 1.858 20 5 CDBDHN N[C@@H](CC(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000345719404 361419154 /nfs/dbraw/zinc/41/91/54/361419154.db2.gz PUBASUBAFMVNQY-NSHDSACASA-N 0 3 299.277 1.462 20 5 CDBDHN Cc1nc(N2CC[C@@H]3CCN(C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000294860402 361493047 /nfs/dbraw/zinc/49/30/47/361493047.db2.gz CZRSWTJRLCMYHY-JQWIXIFHSA-N 0 3 277.328 1.224 20 5 CDBDHN CSC[C@@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000581007129 363962607 /nfs/dbraw/zinc/96/26/07/363962607.db2.gz GWJNTHWZMPJMDZ-NSHDSACASA-N 0 3 286.353 1.287 20 5 CDBDHN C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(C)C ZINC000037985885 364012587 /nfs/dbraw/zinc/01/25/87/364012587.db2.gz YTYPHWZNVJYGBA-MRVPVSSYSA-N 0 3 268.273 1.865 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000345816260 364022683 /nfs/dbraw/zinc/02/26/83/364022683.db2.gz KNVTYTGILMFGBR-OLZOCXBDSA-N 0 3 277.324 1.599 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268294134 364625510 /nfs/dbraw/zinc/62/55/10/364625510.db2.gz ZXTAGFUTIVEWGF-KCJUWKMLSA-N 0 3 278.312 1.135 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249561563 364890608 /nfs/dbraw/zinc/89/06/08/364890608.db2.gz LTADVVNXZNBPPC-SMDDNHRTSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@]1(CO)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000546104744 365209639 /nfs/dbraw/zinc/20/96/39/365209639.db2.gz NWXUVNQCIPTIPY-CYBMUJFWSA-N 0 3 250.298 1.942 20 5 CDBDHN CC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270944246 366948472 /nfs/dbraw/zinc/94/84/72/366948472.db2.gz RXUNTRXKNSYZPN-LERXQTSPSA-N 0 3 280.324 1.331 20 5 CDBDHN Cc1cnc(NCCOCCN(C)C)c([N+](=O)[O-])c1 ZINC000231208275 367545652 /nfs/dbraw/zinc/54/56/52/367545652.db2.gz NORUFUHSWVKAHK-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1nc2sccn2c1[N+](=O)[O-] ZINC000420636396 244301553 /nfs/dbraw/zinc/30/15/53/244301553.db2.gz NJNNUMBTAKWVAQ-SECBINFHSA-N 0 3 295.368 1.834 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000330894471 203363101 /nfs/dbraw/zinc/36/31/01/203363101.db2.gz FISFNFVPXZSOEA-WCQYABFASA-N 0 3 291.351 1.736 20 5 CDBDHN CCN(CC)CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000266146358 370350983 /nfs/dbraw/zinc/35/09/83/370350983.db2.gz RVWWZFRAKNZEDB-UHFFFAOYSA-N 0 3 271.346 1.401 20 5 CDBDHN CCN(CCOC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299139651 372452046 /nfs/dbraw/zinc/45/20/46/372452046.db2.gz SBSARHAFWNNYGO-ZDUSSCGKSA-N 0 3 298.339 1.303 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000190984481 373431028 /nfs/dbraw/zinc/43/10/28/373431028.db2.gz HVIGSTQSFLCPNN-UHFFFAOYSA-N 0 3 280.324 1.568 20 5 CDBDHN COc1ccc(CNC[C@@]2(OC)CCOC2)cc1[N+](=O)[O-] ZINC000122899339 373571317 /nfs/dbraw/zinc/57/13/17/373571317.db2.gz QQFAHRYVCWAQAK-AWEZNQCLSA-N 0 3 296.323 1.499 20 5 CDBDHN CCc1nn(C)c(NC2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000091562514 374039659 /nfs/dbraw/zinc/03/96/59/374039659.db2.gz BGISNANRIYMVQC-UHFFFAOYSA-N 0 3 281.360 1.787 20 5 CDBDHN COC(=O)[C@H](C)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000298716383 374075143 /nfs/dbraw/zinc/07/51/43/374075143.db2.gz IZAWNLVTCPYILM-LLVKDONJSA-N 0 3 296.323 1.715 20 5 CDBDHN COCCOCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369676324 374360146 /nfs/dbraw/zinc/36/01/46/374360146.db2.gz OFWDSYGNMHHSJX-UHFFFAOYSA-N 0 3 298.343 1.091 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423473656 374382853 /nfs/dbraw/zinc/38/28/53/374382853.db2.gz HKWUGOMNAGNCHL-OCCSQVGLSA-N 0 3 292.383 1.457 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)[C@H]2CCOC2)c1 ZINC000280204145 374986990 /nfs/dbraw/zinc/98/69/90/374986990.db2.gz FCBMZVJVHXIFNJ-QWHCGFSZSA-N 0 3 280.324 1.329 20 5 CDBDHN CN(C)C1(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000493273776 375431252 /nfs/dbraw/zinc/43/12/52/375431252.db2.gz RACCAGPKOGEZCW-VOTSOKGWSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@@H]1[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357075146 375881592 /nfs/dbraw/zinc/88/15/92/375881592.db2.gz VIXIHUIUWQKDOO-OLZOCXBDSA-N 0 3 293.367 1.998 20 5 CDBDHN CS[C@@H](CO)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000219065182 375944617 /nfs/dbraw/zinc/94/46/17/375944617.db2.gz IQPAOXVUQXKRPY-CABZTGNLSA-N 0 3 270.354 1.797 20 5 CDBDHN COC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174860964 379591833 /nfs/dbraw/zinc/59/18/33/379591833.db2.gz DKHVIFZAVMMEEP-LLVKDONJSA-N 0 3 268.317 1.150 20 5 CDBDHN CO[C@@H]1COCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000449452689 250864682 /nfs/dbraw/zinc/86/46/82/250864682.db2.gz GOESELMNBHZCOV-WDEREUQCSA-N 0 3 286.353 1.797 20 5 CDBDHN CO[C@H](C)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000285903718 390186400 /nfs/dbraw/zinc/18/64/00/390186400.db2.gz ZWCGUHVTOHAMOK-LLVKDONJSA-N 0 3 268.313 1.940 20 5 CDBDHN CCO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000451537907 390630869 /nfs/dbraw/zinc/63/08/69/390630869.db2.gz IWTJGPCRFKZKJY-NWDGAFQWSA-N 0 3 282.344 1.538 20 5 CDBDHN CCOC(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000185770321 390986366 /nfs/dbraw/zinc/98/63/66/390986366.db2.gz NWGHEUWBIZXVLU-GFCCVEGCSA-N 0 3 293.323 1.915 20 5 CDBDHN C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCN1 ZINC000052783457 391333541 /nfs/dbraw/zinc/33/35/41/391333541.db2.gz DIMKZPNDAKKTCE-ZETCQYMHSA-N 0 3 267.314 1.102 20 5 CDBDHN COC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000544416095 391371905 /nfs/dbraw/zinc/37/19/05/391371905.db2.gz WNSCBBALIQIDTH-LBPRGKRZSA-N 0 3 295.339 1.794 20 5 CDBDHN COCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504400 391398970 /nfs/dbraw/zinc/39/89/70/391398970.db2.gz WOPFDIWIJGCHMI-LLVKDONJSA-N 0 3 280.328 1.513 20 5 CDBDHN CC1(C)[C@H](NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000129630377 391599290 /nfs/dbraw/zinc/59/92/90/391599290.db2.gz VZHAZAIIMJFTCP-OLZOCXBDSA-N 0 3 280.324 1.723 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000354090410 391913236 /nfs/dbraw/zinc/91/32/36/391913236.db2.gz CMXAAVADZSNCKE-UHFFFAOYSA-N 0 3 280.328 1.100 20 5 CDBDHN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248929256 131118923 /nfs/dbraw/zinc/11/89/23/131118923.db2.gz MDHFIZDETZNMER-MFKMUULPSA-N 0 3 250.298 1.798 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262765966 131260395 /nfs/dbraw/zinc/26/03/95/131260395.db2.gz JFMGKJHCFLTSOK-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000524775255 392919128 /nfs/dbraw/zinc/91/91/28/392919128.db2.gz ANFAZBDCYJMSEP-VIFPVBQESA-N 0 3 267.285 1.259 20 5 CDBDHN CN(C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429931160 393088354 /nfs/dbraw/zinc/08/83/54/393088354.db2.gz VSDQZHDKSAVRKI-UHFFFAOYSA-N 0 3 279.340 1.550 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCn2ccnc2C1 ZINC000494426746 393231900 /nfs/dbraw/zinc/23/19/00/393231900.db2.gz CLRQQLFHWRQHPI-GFCCVEGCSA-N 0 3 272.308 1.896 20 5 CDBDHN C[C@@H](NC[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000224472536 140173591 /nfs/dbraw/zinc/17/35/91/140173591.db2.gz CMYPPVYYOJQTDB-GMSGAONNSA-N 0 3 260.240 1.871 20 5 CDBDHN N[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000423226377 397603017 /nfs/dbraw/zinc/60/30/17/397603017.db2.gz QMJRZHQWMJMTHN-ZDUSSCGKSA-N 0 3 277.324 1.381 20 5 CDBDHN CO[C@@H](C)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182339065 148255527 /nfs/dbraw/zinc/25/55/27/148255527.db2.gz LACBIKVMHQCCDF-QWRGUYRKSA-N 0 3 280.328 1.511 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262808264 149115545 /nfs/dbraw/zinc/11/55/45/149115545.db2.gz QKZDBCFFFXMGJB-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@](O)(CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000311061056 149209046 /nfs/dbraw/zinc/20/90/46/149209046.db2.gz IPFKPNJSBAJULQ-ZDUSSCGKSA-N 0 3 250.298 1.845 20 5 CDBDHN C[C@H](NC(=O)[C@@H](N)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000312516812 149233605 /nfs/dbraw/zinc/23/36/05/149233605.db2.gz SUSGZKKKFNBRSK-XVKPBYJWSA-N 0 3 287.266 1.755 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000346271713 153120158 /nfs/dbraw/zinc/12/01/58/153120158.db2.gz QRQRSWUJUXESSM-SECBINFHSA-N 0 3 290.323 1.756 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC[C@@H](CO)O1 ZINC000353702089 156024594 /nfs/dbraw/zinc/02/45/94/156024594.db2.gz IAKVVIVLBWFMDA-KBPBESRZSA-N 0 3 280.324 1.533 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000362083890 159065613 /nfs/dbraw/zinc/06/56/13/159065613.db2.gz BVGWHCLFODJPOA-RYUDHWBXSA-N 0 3 280.324 1.534 20 5 CDBDHN COC[C@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000285308239 196246526 /nfs/dbraw/zinc/24/65/26/196246526.db2.gz SJMSGWFUXPBBTJ-KOLCDFICSA-N 0 3 283.328 1.489 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)C ZINC000037386079 173168890 /nfs/dbraw/zinc/16/88/90/173168890.db2.gz UTZBBCKXYCBBPC-UHFFFAOYSA-N 0 3 251.286 1.840 20 5 CDBDHN CCN(CC)C(=O)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676134 174373820 /nfs/dbraw/zinc/37/38/20/174373820.db2.gz VFFCRAHBXZRIRI-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN COc1ccc(CN(C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000071897029 176292243 /nfs/dbraw/zinc/29/22/43/176292243.db2.gz WFIRCOAZTWPCFR-UHFFFAOYSA-N 0 3 268.313 1.806 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCN(C)C ZINC000162944504 270242946 /nfs/dbraw/zinc/24/29/46/270242946.db2.gz QTZQLAVRMYHRDD-UHFFFAOYSA-N 0 3 266.301 1.586 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000397765193 270351074 /nfs/dbraw/zinc/35/10/74/270351074.db2.gz JQYAPSGEIIAPAA-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN C[C@H](NC[C@H]1CCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000459488473 278264832 /nfs/dbraw/zinc/26/48/32/278264832.db2.gz OOSOGZUBKNXKIX-CMPLNLGQSA-N 0 3 277.324 1.772 20 5 CDBDHN C[C@H](CC(N)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161371394 279250349 /nfs/dbraw/zinc/25/03/49/279250349.db2.gz DLADFMAVXLFJQM-BDAKNGLRSA-N 0 3 251.286 1.509 20 5 CDBDHN C[S@@](=O)C1(CNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000280563198 280178107 /nfs/dbraw/zinc/17/81/07/280178107.db2.gz FXQGZYUYDICFJJ-LJQANCHMSA-N 0 3 282.365 1.986 20 5 CDBDHN C[C@@H](O)CCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246743426 280301875 /nfs/dbraw/zinc/30/18/75/280301875.db2.gz OIPHJRQRNDDVMZ-DGCLKSJQSA-N 0 3 298.339 1.037 20 5 CDBDHN Cc1c(CN(C[C@H](C)O)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000248957632 280397785 /nfs/dbraw/zinc/39/77/85/280397785.db2.gz QKVWHAPTJBNZSI-MNOVXSKESA-N 0 3 282.340 1.467 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCNCC1 ZINC000020362713 281256883 /nfs/dbraw/zinc/25/68/83/281256883.db2.gz TYEXQBMKPXRGIH-UHFFFAOYSA-N 0 3 263.297 1.339 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1c1ccc(F)cc1[N+](=O)[O-] ZINC000086471000 288328616 /nfs/dbraw/zinc/32/86/16/288328616.db2.gz BZWQGEHODWJYRU-DTWKUNHWSA-N 0 3 253.277 1.921 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000555880160 290243752 /nfs/dbraw/zinc/24/37/52/290243752.db2.gz JZYKQXJLQQDTRD-SWHYSGLUSA-N 0 3 279.340 1.263 20 5 CDBDHN COc1ccc(CC(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000561768781 293102811 /nfs/dbraw/zinc/10/28/11/293102811.db2.gz ZFCHJOCNGLHAHH-JTQLQIEISA-N 0 3 295.339 1.212 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@H](N3CCCC3)C2)c(F)c1 ZINC000563312089 293339174 /nfs/dbraw/zinc/33/91/74/293339174.db2.gz UYQTWROFZCAMMJ-JTQLQIEISA-N 0 3 280.303 1.803 20 5 CDBDHN Cc1nn(C)c(N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000301277593 302786052 /nfs/dbraw/zinc/78/60/52/302786052.db2.gz SGMOHZSDXKPSSA-LBPRGKRZSA-N 0 3 293.371 1.701 20 5 CDBDHN CN1CC[C@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C1 ZINC000349912123 316140774 /nfs/dbraw/zinc/14/07/74/316140774.db2.gz JKBVGYMWEMOELW-VIFPVBQESA-N 0 3 289.295 1.646 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000379490854 323601535 /nfs/dbraw/zinc/60/15/35/323601535.db2.gz GQQSXECXAXXLLY-HJLXKUKWSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000379494216 323601547 /nfs/dbraw/zinc/60/15/47/323601547.db2.gz MTLSXKKEVVAVDV-QHDQMSKJSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@@H](O)C[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000305236113 533767037 /nfs/dbraw/zinc/76/70/37/533767037.db2.gz XHEGUUQJKPEKTA-GHMZBOCLSA-N 0 3 268.317 1.027 20 5 CDBDHN CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000790452570 1162153854 /nfs/dbraw/zinc/15/38/54/1162153854.db2.gz QXIFYILETMBJJI-CHWSQXEVSA-N 0 3 280.324 1.331 20 5 CDBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000733167659 575102755 /nfs/dbraw/zinc/10/27/55/575102755.db2.gz YDEKJHHPBZCKMW-CYBMUJFWSA-N 0 3 279.340 1.911 20 5 CDBDHN C[S@](=O)CCCNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000735085235 575423897 /nfs/dbraw/zinc/42/38/97/575423897.db2.gz MOGVHRKKAZDCLP-OCTSTCLRSA-N 0 3 282.365 1.966 20 5 CDBDHN COc1cc(CN[C@H](CCO)C2CC2)c([N+](=O)[O-])cc1F ZINC000771805686 575614526 /nfs/dbraw/zinc/61/45/26/575614526.db2.gz SPMDPHDTZVDPDO-GFCCVEGCSA-N 0 3 298.314 1.993 20 5 CDBDHN C[C@H](OC(=O)C1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000772533368 575719304 /nfs/dbraw/zinc/71/93/04/575719304.db2.gz NDRQASJHBFXOCY-CABZTGNLSA-N 0 3 292.291 1.677 20 5 CDBDHN O=[N+]([O-])c1c(N2CC[C@@H](N3CC=CC3)C2)nc2ccccn21 ZINC000742416483 576601504 /nfs/dbraw/zinc/60/15/04/576601504.db2.gz YZPMOZHSOJQYHW-GFCCVEGCSA-N 0 3 299.334 1.693 20 5 CDBDHN Cc1cc(F)cc(C(=O)NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000758484240 577110846 /nfs/dbraw/zinc/11/08/46/577110846.db2.gz CMBMDMXUOCRWIM-LLVKDONJSA-N 0 3 295.314 1.866 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCCN1C1CC1 ZINC000893515189 618017690 /nfs/dbraw/zinc/01/76/90/618017690.db2.gz INEFQWJBGFJMAB-NSHDSACASA-N 0 3 279.344 1.757 20 5 CDBDHN CCC(CC)(CNCC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905143579 626655278 /nfs/dbraw/zinc/65/52/78/626655278.db2.gz CENAZEXAAFVTIF-UHFFFAOYSA-N 0 3 289.376 1.936 20 5 CDBDHN O=[N+]([O-])CCNCC[C@H]1COc2ccccc2O1 ZINC000905175936 626679832 /nfs/dbraw/zinc/67/98/32/626679832.db2.gz OSFGSPYGCGAZOZ-JTQLQIEISA-N 0 3 252.270 1.083 20 5 CDBDHN CC(C)Oc1ccc([C@@H](CNCC[N+](=O)[O-])N(C)C)cc1 ZINC000905263377 626712675 /nfs/dbraw/zinc/71/26/75/626712675.db2.gz VAMIJFDCHCNCFT-OAHLLOKOSA-N 0 3 295.383 1.943 20 5 CDBDHN C[C@H](N[C@H]1COC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905864795 627008374 /nfs/dbraw/zinc/00/83/74/627008374.db2.gz GGSIDADHJIZQTG-NRUUGDAUSA-N 0 3 293.323 1.546 20 5 CDBDHN CCOc1cnc(N[C@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170564263 1162927970 /nfs/dbraw/zinc/92/79/70/1162927970.db2.gz OTQWSQWJIJHLSP-BXKDBHETSA-N 0 3 296.327 1.177 20 5 CDBDHN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2c1)[C@H]1CNCCO1 ZINC001170571761 1162966141 /nfs/dbraw/zinc/96/61/41/1162966141.db2.gz ZRFQZGXLRUMPCP-GXSJLCMTSA-N 0 3 291.311 1.031 20 5 CDBDHN C[C@@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@H](C)CN1C ZINC001164640908 719214639 /nfs/dbraw/zinc/21/46/39/719214639.db2.gz UDCMXAGPVXAMLG-NXEZZACHSA-N 0 3 289.339 2.000 20 5 CDBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCO ZINC000872018786 1165372359 /nfs/dbraw/zinc/37/23/59/1165372359.db2.gz PKFJHPMAIWVHNJ-MRVPVSSYSA-N 0 3 256.327 1.960 20 5 CDBDHN CN(C[C@H]1CCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176093020 896324220 /nfs/dbraw/zinc/32/42/20/896324220.db2.gz JMOQJRYNVPTYQS-LLVKDONJSA-N 0 3 290.323 1.870 20 5 CDBDHN CC[C@@](N)(CO)N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904304 912038270 /nfs/dbraw/zinc/03/82/70/912038270.db2.gz WURFJKGUFHUHFN-ZFWWWQNUSA-N 0 3 293.367 1.489 20 5 CDBDHN CC(C)(CCC(=O)NC[C@@H]1CCCCN1C1CC1)[N+](=O)[O-] ZINC000830529133 936462653 /nfs/dbraw/zinc/46/26/53/936462653.db2.gz DGRBCEIWBLBSHA-ZDUSSCGKSA-N 0 3 297.399 1.955 20 5 CDBDHN C[C@@H](NCC[S@@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000131420084 921975294 /nfs/dbraw/zinc/97/52/94/921975294.db2.gz HJFLSOQGJJSAIY-XLFHBGCDSA-N 0 3 256.327 1.624 20 5 CDBDHN CC(COC(=O)CCCC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000835454980 936734576 /nfs/dbraw/zinc/73/45/76/936734576.db2.gz LTIJYCHZFDIOCI-VIFPVBQESA-N 0 3 259.302 1.980 20 5 CDBDHN CN(C)[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccsc1 ZINC000839512676 936913739 /nfs/dbraw/zinc/91/37/39/936913739.db2.gz IBLGKOHQBPLUNE-MXWKQRLJSA-N 0 3 283.353 1.132 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000104188912 925308214 /nfs/dbraw/zinc/30/82/14/925308214.db2.gz DWPUKVYQLJHERD-UHFFFAOYSA-N 0 3 269.276 1.368 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)NC1CC1)CC2 ZINC000843495479 937156508 /nfs/dbraw/zinc/15/65/08/937156508.db2.gz SNYREZMWNJTPNR-SNVBAGLBSA-N 0 3 289.335 1.933 20 5 CDBDHN C[C@@H]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011436 927616557 /nfs/dbraw/zinc/61/65/57/927616557.db2.gz KIFKDNOFAONIQB-UTUOFQBUSA-N 0 3 254.330 1.733 20 5 CDBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056331 927672607 /nfs/dbraw/zinc/67/26/07/927672607.db2.gz RVJXZZXNDGCNCA-NAWOPXAZSA-N 0 3 282.340 1.458 20 5 CDBDHN Cc1c(F)cnc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001169228973 927831293 /nfs/dbraw/zinc/83/12/93/927831293.db2.gz TVAOIAJBRBULPX-ZETCQYMHSA-N 0 3 265.248 1.643 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000852702882 927850883 /nfs/dbraw/zinc/85/08/83/927850883.db2.gz KHXFAXXLPSCICN-DFBGVHRSSA-N 0 3 294.351 1.579 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1 ZINC000856489185 928607345 /nfs/dbraw/zinc/60/73/45/928607345.db2.gz LDBIFFLQXOIGII-LLVKDONJSA-N 0 3 271.361 1.278 20 5 CDBDHN C[C@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764322 928745763 /nfs/dbraw/zinc/74/57/63/928745763.db2.gz OZFRSSDOZQZYRX-ZETCQYMHSA-N 0 3 289.238 1.030 20 5 CDBDHN COC[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000783664293 937277795 /nfs/dbraw/zinc/27/77/95/937277795.db2.gz KYZQZDFFURXHTN-SNVBAGLBSA-N 0 3 288.731 1.999 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1COCCN1 ZINC000863483911 929558416 /nfs/dbraw/zinc/55/84/16/929558416.db2.gz RJTGBOSHCBDNQP-LLVKDONJSA-N 0 3 285.731 1.326 20 5 CDBDHN C[C@H](NCC[S@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000131419502 930177068 /nfs/dbraw/zinc/17/70/68/930177068.db2.gz HJFLSOQGJJSAIY-HUTHGQBESA-N 0 3 256.327 1.624 20 5 CDBDHN CC1(C)OCC(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000819226735 930777330 /nfs/dbraw/zinc/77/73/30/930777330.db2.gz WKHLMDGNCPGFTG-ZDUSSCGKSA-N 0 3 296.323 1.369 20 5 CDBDHN CC(C)(O)C(C)(C)NCc1cccnc1[N+](=O)[O-] ZINC000886102683 930806829 /nfs/dbraw/zinc/80/68/29/930806829.db2.gz NDONDCAOLVWIHZ-UHFFFAOYSA-N 0 3 253.302 1.629 20 5 CDBDHN CC(C)(CN1CCOCC1)NCc1cccnc1[N+](=O)[O-] ZINC000886247323 930838272 /nfs/dbraw/zinc/83/82/72/930838272.db2.gz NMKXAECOQFSIIN-UHFFFAOYSA-N 0 3 294.355 1.190 20 5 CDBDHN COCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154021786 937492972 /nfs/dbraw/zinc/49/29/72/937492972.db2.gz SARGARYEKOWBFY-UHFFFAOYSA-N 0 3 295.339 1.227 20 5 CDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NOCCN(C)C ZINC000843897045 931514905 /nfs/dbraw/zinc/51/49/05/931514905.db2.gz BCUFSTTZCLOXNK-UHFFFAOYSA-N 0 3 285.275 1.265 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC([C@H]3CCOC3)C2)cc1 ZINC000795550614 934866780 /nfs/dbraw/zinc/86/67/80/934866780.db2.gz HNTYOTLKPBDLGO-SWLSCSKDSA-N 0 3 292.335 1.597 20 5 CDBDHN NCc1nn(-c2ncc(F)cc2[N+](=O)[O-])c2ccccc12 ZINC001156856372 938426804 /nfs/dbraw/zinc/42/68/04/938426804.db2.gz RETHPXCNGKWJNB-UHFFFAOYSA-N 0 3 287.254 1.927 20 5 CDBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CNCCO1 ZINC001159488502 938731732 /nfs/dbraw/zinc/73/17/32/938731732.db2.gz DXCLJCRQNCVQPE-XVKPBYJWSA-N 0 3 286.719 1.432 20 5 CDBDHN Cc1cc(CN)nn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001163985047 939371017 /nfs/dbraw/zinc/37/10/17/939371017.db2.gz HBRFGNFOVWMXLN-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN COc1cc(C)nc(N2CC(C)(N(C)C)C2)c1[N+](=O)[O-] ZINC001165117395 939512103 /nfs/dbraw/zinc/51/21/03/939512103.db2.gz FRZOAHOLFFCXFT-UHFFFAOYSA-N 0 3 280.328 1.447 20 5 CDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(-n2ncc3c2CCNC3)n1 ZINC001165218650 939526481 /nfs/dbraw/zinc/52/64/81/939526481.db2.gz HVQCMYJXVVEFKI-UHFFFAOYSA-N 0 3 293.714 1.783 20 5 CDBDHN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCN(C)C1 ZINC001222772496 941633254 /nfs/dbraw/zinc/63/32/54/941633254.db2.gz CZTJODDIEFLMOH-SNVBAGLBSA-N 0 3 294.307 1.602 20 5 CDBDHN CN1CC[C@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226434670 942004481 /nfs/dbraw/zinc/00/44/81/942004481.db2.gz NYXZAVUQQUDETD-JTQLQIEISA-N 0 3 274.280 1.621 20 5 CDBDHN CN1CC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227217361 942151154 /nfs/dbraw/zinc/15/11/54/942151154.db2.gz WHILCCOYZRLWEJ-JTQLQIEISA-N 0 3 289.291 1.932 20 5 CDBDHN Cc1cc(C)n(CCCC(=O)OCC(C)[N+](=O)[O-])n1 ZINC001525759445 970984086 /nfs/dbraw/zinc/98/40/86/970984086.db2.gz NPECIJBOILXDAO-NSHDSACASA-N 0 3 269.301 1.489 20 5 CDBDHN CCN1CC[C@H](Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC001234050923 943728323 /nfs/dbraw/zinc/72/83/23/943728323.db2.gz MYGCRHULANJNME-NSHDSACASA-N 0 3 294.307 1.854 20 5 CDBDHN O=[N+]([O-])c1ccsc1N1CC(N[C@@H]2CCOC2)C1 ZINC001307217643 956381930 /nfs/dbraw/zinc/38/19/30/956381930.db2.gz QORQPKNODAPTKB-MRVPVSSYSA-N 0 3 269.326 1.223 20 5 CDBDHN CN1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001336745077 960537168 /nfs/dbraw/zinc/53/71/68/960537168.db2.gz MGCSPPJJEWMNMH-CQSZACIVSA-N 0 3 291.351 1.738 20 5 CDBDHN CC(=O)OC[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC001336760654 960557347 /nfs/dbraw/zinc/55/73/47/960557347.db2.gz JSBAGGMGQMLYAS-SECBINFHSA-N 0 3 266.297 1.944 20 5 CDBDHN Cc1nc(NC[C@H]2CCCCN2C)ncc1[N+](=O)[O-] ZINC001336764602 960561776 /nfs/dbraw/zinc/56/17/76/960561776.db2.gz MHSKKTJEEKEKGW-SNVBAGLBSA-N 0 3 265.317 1.589 20 5 CDBDHN CC(COC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12)[N+](=O)[O-] ZINC001343663708 964082207 /nfs/dbraw/zinc/08/22/07/964082207.db2.gz IXFFRGGLIGPBKG-YACGNSKGSA-N 0 3 290.275 1.105 20 5 CDBDHN CC(COC(=O)CCC(=O)c1cccnc1)[N+](=O)[O-] ZINC001344847990 964458974 /nfs/dbraw/zinc/45/89/74/964458974.db2.gz NWMMIBHTIYFCGU-VIFPVBQESA-N 0 3 266.253 1.253 20 5 CDBDHN O=[N+]([O-])c1c(N[C@H]2CN3CCC2CC3)nc2ccccn21 ZINC001347746475 965681922 /nfs/dbraw/zinc/68/19/22/965681922.db2.gz QWRSHZPWJQVSST-NSHDSACASA-N 0 3 287.323 1.749 20 5 CDBDHN COc1c(O)ccc(CN[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC001355312488 969120429 /nfs/dbraw/zinc/12/04/29/969120429.db2.gz LXPAHBXBATZVLS-SECBINFHSA-N 0 3 284.337 1.904 20 5 CDBDHN CSC[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC001356533644 969420453 /nfs/dbraw/zinc/42/04/53/969420453.db2.gz SBGQTRCZLCXQMX-SNVBAGLBSA-N 0 3 256.327 1.408 20 5 CDBDHN CC(COC(=O)C[C@H]1C(=O)Nc2c1cccc2F)[N+](=O)[O-] ZINC001515228625 976410227 /nfs/dbraw/zinc/41/02/27/976410227.db2.gz BJTQRLCZHQZRRB-IONNQARKSA-N 0 3 296.254 1.460 20 5 CDBDHN CC(COC(=O)C[C@H]1C(=O)Nc2c1cccc2F)[N+](=O)[O-] ZINC001515228629 976410325 /nfs/dbraw/zinc/41/03/25/976410325.db2.gz BJTQRLCZHQZRRB-VXNVDRBHSA-N 0 3 296.254 1.460 20 5 CDBDHN CCc1nn(C)c(N2C[C@@H]3CCN(C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000601185401 342489252 /nfs/dbraw/zinc/48/92/52/342489252.db2.gz TWVIFMCAPJSPBR-WDEREUQCSA-N 0 3 293.371 1.279 20 5 CDBDHN CN1CCC[C@]2(CCN(c3cccnc3[N+](=O)[O-])C2)C1 ZINC000590141931 342522711 /nfs/dbraw/zinc/52/27/11/342522711.db2.gz OMACGFGIVOTKAB-AWEZNQCLSA-N 0 3 276.340 1.912 20 5 CDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000139670821 342026935 /nfs/dbraw/zinc/02/69/35/342026935.db2.gz LVIXPZUEIXTVMS-NSHDSACASA-N 0 3 290.323 1.953 20 5 CDBDHN CC(C)N(CCN(C)C)c1ncc([N+](=O)[O-])cn1 ZINC000274366630 365637579 /nfs/dbraw/zinc/63/75/79/365637579.db2.gz OZDYZRJLFBJTJD-UHFFFAOYSA-N 0 3 253.306 1.161 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417094 342902798 /nfs/dbraw/zinc/90/27/98/342902798.db2.gz ABXQNWLKJHISCP-WCQYABFASA-N 0 3 292.339 1.670 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422362 342903706 /nfs/dbraw/zinc/90/37/06/342903706.db2.gz YQOTWQDHJSIDFS-JQWIXIFHSA-N 0 3 292.339 1.670 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000609383637 342265688 /nfs/dbraw/zinc/26/56/88/342265688.db2.gz YBQQFZLJJFCRIG-NSHDSACASA-N 0 3 292.339 1.147 20 5 CDBDHN CC[C@@](C)(NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000177126579 529506433 /nfs/dbraw/zinc/50/64/33/529506433.db2.gz IKYXCIGOPKGBHD-CYBMUJFWSA-N 0 3 265.313 1.381 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2ccnn2CC2CC2)c1 ZINC000594931819 342975150 /nfs/dbraw/zinc/97/51/50/342975150.db2.gz RQSSQUGYYYPAPT-UHFFFAOYSA-N 0 3 290.327 1.188 20 5 CDBDHN Cc1cc(N2CC[C@@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074746779 342303746 /nfs/dbraw/zinc/30/37/46/342303746.db2.gz XJOLLILSOIMAIE-GFCCVEGCSA-N 0 3 276.340 1.973 20 5 CDBDHN Nc1nc(N2CCC[C@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000076268337 342320418 /nfs/dbraw/zinc/32/04/18/342320418.db2.gz GPYSABZZEBUVTB-JTQLQIEISA-N 0 3 292.343 1.032 20 5 CDBDHN CC(C)(O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000081644228 342372762 /nfs/dbraw/zinc/37/27/62/342372762.db2.gz SYMRYRKUAFOCBD-UHFFFAOYSA-N 0 3 293.367 1.878 20 5 CDBDHN O=C(NCC12CCCN1CCC2)c1ccc([N+](=O)[O-])o1 ZINC000619574128 349808237 /nfs/dbraw/zinc/80/82/37/349808237.db2.gz RLTVOSUIXMCSMC-UHFFFAOYSA-N 0 3 279.296 1.546 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597603284 343584848 /nfs/dbraw/zinc/58/48/48/343584848.db2.gz BBFIDUWSGDAYAP-SNVBAGLBSA-N 0 3 280.328 1.479 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCN2CC[C@@H](O)C2)c(Cl)c1 ZINC000599010194 343939583 /nfs/dbraw/zinc/93/95/83/343939583.db2.gz RWJZSHUWCWDOSJ-GFCCVEGCSA-N 0 3 299.758 1.404 20 5 CDBDHN CN(Cc1ccccc1)C[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000601964352 344298029 /nfs/dbraw/zinc/29/80/29/344298029.db2.gz NRLROKWCXMPECN-ZDUSSCGKSA-N 0 3 290.323 1.284 20 5 CDBDHN CO[C@]1(CN(C)CCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000602649490 344515416 /nfs/dbraw/zinc/51/54/16/344515416.db2.gz JRXOVMNVBYATIB-HNNXBMFYSA-N 0 3 294.351 1.875 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)C[C@H]1C(C)C ZINC000602831491 344614197 /nfs/dbraw/zinc/61/41/97/344614197.db2.gz IIWMPLSRJOFGFK-ZDUSSCGKSA-N 0 3 295.387 1.372 20 5 CDBDHN COC(=O)CCN(CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602787365 344599826 /nfs/dbraw/zinc/59/98/26/344599826.db2.gz QNDLHLQQNSPVIY-UHFFFAOYSA-N 0 3 298.343 1.373 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](CO)[C@H]1C ZINC000602846353 344623720 /nfs/dbraw/zinc/62/37/20/344623720.db2.gz OQSZBZGEKZAANI-PWSUYJOCSA-N 0 3 282.344 1.193 20 5 CDBDHN CC(=O)c1ccc(NC[C@@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603421145 344800384 /nfs/dbraw/zinc/80/03/84/344800384.db2.gz XZISKNPQWQNFCZ-LLVKDONJSA-N 0 3 295.364 1.914 20 5 CDBDHN O=C1C[C@@H](NCc2ccccc2[N+](=O)[O-])CCCN1 ZINC000111826653 344819774 /nfs/dbraw/zinc/81/97/74/344819774.db2.gz VYATYROPROWOBB-NSHDSACASA-N 0 3 263.297 1.353 20 5 CDBDHN CCN1CCN(CCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603853531 344840197 /nfs/dbraw/zinc/84/01/97/344840197.db2.gz BRUOTRVNXWADAR-UHFFFAOYSA-N 0 3 293.371 1.429 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000088138580 346012055 /nfs/dbraw/zinc/01/20/55/346012055.db2.gz UTVAEEDMQHFUER-UHFFFAOYSA-N 0 3 263.297 1.419 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1c1nc2sccn2c1[N+](=O)[O-] ZINC000086471226 362712395 /nfs/dbraw/zinc/71/23/95/362712395.db2.gz YDGUZZMXFCNKKA-JGVFFNPUSA-N 0 3 281.341 1.491 20 5 CDBDHN O=[N+]([O-])c1ccccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000112090934 365871824 /nfs/dbraw/zinc/87/18/24/365871824.db2.gz DFQYHFAXGACCSP-NEPJUHHUSA-N 0 3 277.324 1.870 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000106880499 186145385 /nfs/dbraw/zinc/14/53/85/186145385.db2.gz LVUXBAHBTWTUOF-LBPRGKRZSA-N 0 3 266.297 1.694 20 5 CDBDHN CCOC[C@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292045320 198144608 /nfs/dbraw/zinc/14/46/08/198144608.db2.gz AXLVOOIEDLENJO-LLVKDONJSA-N 0 3 282.340 1.817 20 5 CDBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292144218 198180425 /nfs/dbraw/zinc/18/04/25/198180425.db2.gz JRJOGJPUJGWLKB-ZWNOBZJWSA-N 0 3 268.313 1.331 20 5 CDBDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000411375114 363199816 /nfs/dbraw/zinc/19/98/16/363199816.db2.gz OSYMLQDGYIWQLJ-DDTOSNHZSA-N 0 3 291.351 1.765 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152562923 188029336 /nfs/dbraw/zinc/02/93/36/188029336.db2.gz RENYGGQQMJCMSZ-VIFPVBQESA-N 0 3 297.742 1.930 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCC1(O)CCOCC1 ZINC000112717164 366126067 /nfs/dbraw/zinc/12/60/67/366126067.db2.gz QHXZZMAQLDNXFS-UHFFFAOYSA-N 0 3 266.297 1.226 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)[C@H]2CCCOC2)c(F)c1 ZINC000411994163 363403358 /nfs/dbraw/zinc/40/33/58/363403358.db2.gz MUDFLOFXWYFBFF-FZMZJTMJSA-N 0 3 298.314 1.611 20 5 CDBDHN CCCN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000261878326 357338518 /nfs/dbraw/zinc/33/85/18/357338518.db2.gz TWCZQPWGEVNMFX-VIFPVBQESA-N 0 3 251.286 1.921 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000360767339 357684532 /nfs/dbraw/zinc/68/45/32/357684532.db2.gz UJPQHKQSMQXYBZ-CHWSQXEVSA-N 0 3 280.324 1.329 20 5 CDBDHN C[C@@H](NCCN1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000361106256 357800255 /nfs/dbraw/zinc/80/02/55/357800255.db2.gz FIGRHLRFJMXKGC-CHWSQXEVSA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cncc(F)c1 ZINC000361132120 357809617 /nfs/dbraw/zinc/80/96/17/357809617.db2.gz NQYONMFSYHIGLJ-VIFPVBQESA-N 0 3 279.275 1.676 20 5 CDBDHN C[C@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000195168689 358415637 /nfs/dbraw/zinc/41/56/37/358415637.db2.gz OTEPTQYISVFKGM-ZETCQYMHSA-N 0 3 271.704 1.554 20 5 CDBDHN CO[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847990 359084932 /nfs/dbraw/zinc/08/49/32/359084932.db2.gz JJAMOIOZLIEJPY-QWHCGFSZSA-N 0 3 294.355 1.681 20 5 CDBDHN CC(C)CO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000119794660 359108882 /nfs/dbraw/zinc/10/88/82/359108882.db2.gz ZLBQTKSFELMGQB-GFCCVEGCSA-N 0 3 282.344 1.538 20 5 CDBDHN CCCC[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015969 359275773 /nfs/dbraw/zinc/27/57/73/359275773.db2.gz DETVVRVXVRYKQD-LLVKDONJSA-N 0 3 265.313 1.729 20 5 CDBDHN CCN(C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000112925734 359364992 /nfs/dbraw/zinc/36/49/92/359364992.db2.gz WRDHLZXHBORWLV-RMKNXTFCSA-N 0 3 277.324 1.676 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H](C1CC1)C(C)(C)CO ZINC000339728052 359428609 /nfs/dbraw/zinc/42/86/09/359428609.db2.gz HOLDEOAGGVOAAC-LLVKDONJSA-N 0 3 282.344 1.215 20 5 CDBDHN Cc1c(CC(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000156490079 237077826 /nfs/dbraw/zinc/07/78/26/237077826.db2.gz DFDUHQFNMIRKGK-UHFFFAOYSA-N 0 3 265.313 1.124 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@]1(CO)CCOC1 ZINC000572060832 359807387 /nfs/dbraw/zinc/80/73/87/359807387.db2.gz RWRORFWYFXJGFF-TZMCWYRMSA-N 0 3 278.308 1.323 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000347917156 359948680 /nfs/dbraw/zinc/94/86/80/359948680.db2.gz HRIUBSPXZPVSPR-UHFFFAOYSA-N 0 3 268.317 1.337 20 5 CDBDHN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC000298362723 200406625 /nfs/dbraw/zinc/40/66/25/200406625.db2.gz RABXHSZKAJXKRN-SECBINFHSA-N 0 3 251.286 1.275 20 5 CDBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000340465875 360990654 /nfs/dbraw/zinc/99/06/54/360990654.db2.gz OHIHAKKYKIKRMP-UHFFFAOYSA-N 0 3 266.301 1.137 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000275867040 193149973 /nfs/dbraw/zinc/14/99/73/193149973.db2.gz JLRVKYFHOIQUSZ-UHFFFAOYSA-N 0 3 267.285 1.402 20 5 CDBDHN CC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270826089 366935024 /nfs/dbraw/zinc/93/50/24/366935024.db2.gz BXUGDUWGALDCKB-FZMZJTMJSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN[C@@H](C)C1 ZINC000420333152 244099060 /nfs/dbraw/zinc/09/90/60/244099060.db2.gz HLXZYBIDKQNMQJ-QWRGUYRKSA-N 0 3 292.339 1.216 20 5 CDBDHN CCC[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810248 373400835 /nfs/dbraw/zinc/40/08/35/373400835.db2.gz MPDQLAZZSHFZTO-LLVKDONJSA-N 0 3 265.313 1.681 20 5 CDBDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000120093627 296212020 /nfs/dbraw/zinc/21/20/20/296212020.db2.gz SJBIUSNTNCRTRE-SNVBAGLBSA-N 0 3 297.380 1.753 20 5 CDBDHN Cc1ccc(CN[C@@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447968770 374727940 /nfs/dbraw/zinc/72/79/40/374727940.db2.gz RUMWOOKKIILYHD-JSGCOSHPSA-N 0 3 280.324 1.533 20 5 CDBDHN CCOCCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000093315903 374741951 /nfs/dbraw/zinc/74/19/51/374741951.db2.gz GSZPCXAPNICKOZ-UHFFFAOYSA-N 0 3 298.339 1.951 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)N(C)C ZINC000277586731 374797233 /nfs/dbraw/zinc/79/72/33/374797233.db2.gz MQXKDWVZVFFWKN-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN CCN1C[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000449518944 374816779 /nfs/dbraw/zinc/81/67/79/374816779.db2.gz OZOUPXYVFOQHAD-VGVVRCBHSA-N 0 3 289.335 1.818 20 5 CDBDHN CCN1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000331329631 374930884 /nfs/dbraw/zinc/93/08/84/374930884.db2.gz HBUNTWBKUNVHOS-VXGBXAGGSA-N 0 3 281.360 1.206 20 5 CDBDHN C[C@@H](CO)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000282835198 375102569 /nfs/dbraw/zinc/10/25/69/375102569.db2.gz RAYWYSBHFKWTFU-JTQLQIEISA-N 0 3 254.286 1.286 20 5 CDBDHN O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCCNCC1 ZINC000493497650 375459142 /nfs/dbraw/zinc/45/91/42/375459142.db2.gz XYFLOKQIRHXIBM-HYXAFXHYSA-N 0 3 293.298 1.569 20 5 CDBDHN O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCCNCC1 ZINC000493497649 375459286 /nfs/dbraw/zinc/45/92/86/375459286.db2.gz XYFLOKQIRHXIBM-HWKANZROSA-N 0 3 293.298 1.569 20 5 CDBDHN Cc1nn(C)c(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000133522609 375794553 /nfs/dbraw/zinc/79/45/53/375794553.db2.gz FHMOIKYRYZGUHR-WCBMZHEXSA-N 0 3 279.344 1.674 20 5 CDBDHN COC[C@@H](CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000219134824 375954234 /nfs/dbraw/zinc/95/42/34/375954234.db2.gz JDDRZLJJRXKKKH-LLVKDONJSA-N 0 3 254.286 1.082 20 5 CDBDHN COCCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000171099004 376121019 /nfs/dbraw/zinc/12/10/19/376121019.db2.gz WDSJQSKQLCIAJT-UHFFFAOYSA-N 0 3 296.327 1.295 20 5 CDBDHN O=C1CCC[C@H](CNC/C=C\c2ccccc2[N+](=O)[O-])N1 ZINC000433189855 248005073 /nfs/dbraw/zinc/00/50/73/248005073.db2.gz DZEMHLSFRZVQAM-RYWCDNDXSA-N 0 3 289.335 1.866 20 5 CDBDHN CCc1n[nH]c(C(=O)NC[C@@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000171808594 377055712 /nfs/dbraw/zinc/05/57/12/377055712.db2.gz ZGVHFWGUFRDTKX-MRVPVSSYSA-N 0 3 295.343 1.093 20 5 CDBDHN COC[C@H](C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471476 378455778 /nfs/dbraw/zinc/45/57/78/378455778.db2.gz FMGHKPPUDMGZHS-QWRGUYRKSA-N 0 3 280.328 1.511 20 5 CDBDHN CCc1ccc(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000266935367 378876012 /nfs/dbraw/zinc/87/60/12/378876012.db2.gz OMPLPMBUYATKOU-UHFFFAOYSA-N 0 3 291.351 1.981 20 5 CDBDHN CO[C@@]1(C)C[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882592 379606308 /nfs/dbraw/zinc/60/63/08/379606308.db2.gz LOTYAADTCWECRP-JSGCOSHPSA-N 0 3 296.371 1.927 20 5 CDBDHN Cc1nc(NC[C@H](C)N2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450255449 251194785 /nfs/dbraw/zinc/19/47/85/251194785.db2.gz BSWNSRWFUSUOTQ-MNOVXSKESA-N 0 3 293.371 1.790 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCCN1CCCO ZINC000450598788 251359712 /nfs/dbraw/zinc/35/97/12/251359712.db2.gz RFHFRRBXAHDHPR-GFCCVEGCSA-N 0 3 297.330 1.993 20 5 CDBDHN C[C@]1(C(N)=O)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000280870261 195009609 /nfs/dbraw/zinc/00/96/09/195009609.db2.gz ZMPXNKBBAOPLFU-AWEZNQCLSA-N 0 3 293.323 1.171 20 5 CDBDHN CC[C@@H](N[C@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000463160466 252808162 /nfs/dbraw/zinc/80/81/62/252808162.db2.gz DYQHDAGOIQMETC-FRRDWIJNSA-N 0 3 266.297 1.395 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(N)CCCC1 ZINC000490032782 253024412 /nfs/dbraw/zinc/02/44/12/253024412.db2.gz BYOROSNTLQKEEO-UHFFFAOYSA-N 0 3 293.323 1.491 20 5 CDBDHN CN(C)C/C=C/C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000491861326 253106131 /nfs/dbraw/zinc/10/61/31/253106131.db2.gz ABFOQQMKBRWPDV-QPJJXVBHSA-N 0 3 275.308 1.602 20 5 CDBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1)OCCO ZINC000288359435 197058266 /nfs/dbraw/zinc/05/82/66/197058266.db2.gz CUKMTGQNLPEGDP-UHFFFAOYSA-N 0 3 268.313 1.472 20 5 CDBDHN COc1ccc(OCCN(C)C[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000285874496 390186017 /nfs/dbraw/zinc/18/60/17/390186017.db2.gz YJVDQKVDBDFJNL-LLVKDONJSA-N 0 3 298.339 1.949 20 5 CDBDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449276877 391054867 /nfs/dbraw/zinc/05/48/67/391054867.db2.gz DDIUQEBWRLBFMK-RYUDHWBXSA-N 0 3 293.367 1.982 20 5 CDBDHN CCOC[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268973549 391476405 /nfs/dbraw/zinc/47/64/05/391476405.db2.gz INSZDWGWWQRORQ-AAEUAGOBSA-N 0 3 282.340 1.951 20 5 CDBDHN CN(CCN(C)C1CC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184787723 391740829 /nfs/dbraw/zinc/74/08/29/391740829.db2.gz IGFBTWISIMUQHR-UHFFFAOYSA-N 0 3 292.339 1.224 20 5 CDBDHN CCC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000236912053 392110873 /nfs/dbraw/zinc/11/08/73/392110873.db2.gz GIQIGFJRBGEKFP-LLVKDONJSA-N 0 3 263.297 1.611 20 5 CDBDHN Cc1c(CC(=O)N2C[C@H](C)NC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000237613082 131047308 /nfs/dbraw/zinc/04/73/08/131047308.db2.gz FRZNGFPPCFDMPY-QWRGUYRKSA-N 0 3 291.351 1.655 20 5 CDBDHN Cc1c(C(=O)N2CCN[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000262778933 131261083 /nfs/dbraw/zinc/26/10/83/131261083.db2.gz LYUZFYWCAPRXMH-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000263897597 131355542 /nfs/dbraw/zinc/35/55/42/131355542.db2.gz BHGGCKKHJKYKSQ-VIFPVBQESA-N 0 3 267.285 1.354 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC(OC3CCC3)CC2)c1 ZINC000419283256 392890274 /nfs/dbraw/zinc/89/02/74/392890274.db2.gz JNTAIGVQYLKOEA-UHFFFAOYSA-N 0 3 294.355 1.825 20 5 CDBDHN Cc1nc(NCc2ccc3c(c2)CNC3)ncc1[N+](=O)[O-] ZINC000420237351 392911595 /nfs/dbraw/zinc/91/15/95/392911595.db2.gz MCNJALCYRVFQNU-UHFFFAOYSA-N 0 3 285.307 1.330 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080415 393066158 /nfs/dbraw/zinc/06/61/58/393066158.db2.gz WRBGGPFLCBLPQM-JOYOIKCWSA-N 0 3 292.339 1.146 20 5 CDBDHN Cc1nn(C)c(NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000037647717 393223070 /nfs/dbraw/zinc/22/30/70/393223070.db2.gz DMSMUOYVACPUJB-SECBINFHSA-N 0 3 253.306 1.000 20 5 CDBDHN Cc1ccc(CNCCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000230882743 140214378 /nfs/dbraw/zinc/21/43/78/140214378.db2.gz WZBOCAZKUQMRAB-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN CCN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCO1 ZINC000176245538 148031012 /nfs/dbraw/zinc/03/10/12/148031012.db2.gz VYDFPJRTSLXRIN-LLVKDONJSA-N 0 3 268.317 1.292 20 5 CDBDHN C[C@@H](O)CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000311124764 149209991 /nfs/dbraw/zinc/20/99/91/149209991.db2.gz YNNYOYDVUVYLSJ-SECBINFHSA-N 0 3 256.277 1.985 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@H]1C ZINC000349873009 154250480 /nfs/dbraw/zinc/25/04/80/154250480.db2.gz JJMVFXDBFGZNAS-NXEZZACHSA-N 0 3 295.343 1.311 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000359025481 158102751 /nfs/dbraw/zinc/10/27/51/158102751.db2.gz DXNQQXMEQRFYBJ-ZJUUUORDSA-N 0 3 293.327 1.016 20 5 CDBDHN CCOC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361892630 159010718 /nfs/dbraw/zinc/01/07/18/159010718.db2.gz LTWWMJCCBBOHLL-RYUDHWBXSA-N 0 3 282.340 1.951 20 5 CDBDHN CN(C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000019280780 170771334 /nfs/dbraw/zinc/77/13/34/170771334.db2.gz USRDQVGUFIXNTM-UHFFFAOYSA-N 0 3 271.704 1.540 20 5 CDBDHN C[C@H](NC[C@]1(O)CCO[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284848572 196143950 /nfs/dbraw/zinc/14/39/50/196143950.db2.gz ABBAKSLJPXPPQW-PKFCDNJMSA-N 0 3 295.339 1.368 20 5 CDBDHN CO[C@@H](C)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285353690 196259305 /nfs/dbraw/zinc/25/93/05/196259305.db2.gz VJHNXPJLGYLTJM-IUCAKERBSA-N 0 3 253.302 1.863 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCC2(O)CCOCC2)c1 ZINC000285481486 196298367 /nfs/dbraw/zinc/29/83/67/196298367.db2.gz LJKTZKSHZURYBU-UHFFFAOYSA-N 0 3 280.324 1.616 20 5 CDBDHN CCC[C@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000285491529 196302923 /nfs/dbraw/zinc/30/29/23/196302923.db2.gz IQPWSMBNUPIDGJ-AWEZNQCLSA-N 0 3 295.339 1.305 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000086467680 274378218 /nfs/dbraw/zinc/37/82/18/274378218.db2.gz PUTFTGPIVWFMBE-JGVFFNPUSA-N 0 3 253.258 1.010 20 5 CDBDHN CN1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000190337110 277183408 /nfs/dbraw/zinc/18/34/08/277183408.db2.gz AZHGJHIJSSFLIN-ZJUUUORDSA-N 0 3 282.369 1.972 20 5 CDBDHN CO[C@H]1COCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000449450304 277751171 /nfs/dbraw/zinc/75/11/71/277751171.db2.gz BBNZVOXPVNEOEX-OCCSQVGLSA-N 0 3 280.324 1.736 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000086468333 279251532 /nfs/dbraw/zinc/25/15/32/279251532.db2.gz QGQQYLBHHRVPPB-BYAJROORSA-N 0 3 289.335 1.817 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN(C)C ZINC000177496964 281018235 /nfs/dbraw/zinc/01/82/35/281018235.db2.gz PPTGTJJAHCQPAP-UHFFFAOYSA-N 0 3 280.328 1.929 20 5 CDBDHN COCC[C@H](CO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000341572234 292688392 /nfs/dbraw/zinc/68/83/92/292688392.db2.gz XKRNDTCRDJBEAN-RYWCDNDXSA-N 0 3 280.324 1.595 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1C2CCC1CC2 ZINC000556432074 290267688 /nfs/dbraw/zinc/26/76/88/290267688.db2.gz JEWUIVPUCFTQCC-UHFFFAOYSA-N 0 3 263.297 1.383 20 5 CDBDHN CC(C)Oc1nc(NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000576479700 317147800 /nfs/dbraw/zinc/14/78/00/317147800.db2.gz QOKPGHUOXMMKPA-UHFFFAOYSA-N 0 3 294.355 1.707 20 5 CDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)CN1C ZINC000768526610 576292863 /nfs/dbraw/zinc/29/28/63/576292863.db2.gz OFIDXKVALVSSFK-BDAKNGLRSA-N 0 3 291.311 1.660 20 5 CDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)[C@H](C)CN1C ZINC000768526618 576293030 /nfs/dbraw/zinc/29/30/30/576293030.db2.gz OFIDXKVALVSSFK-RKDXNWHRSA-N 0 3 291.311 1.660 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCO)CC2CC2)c1 ZINC000750035928 576972898 /nfs/dbraw/zinc/97/28/98/576972898.db2.gz MJVXJDHTINPSDR-AWEZNQCLSA-N 0 3 280.324 1.333 20 5 CDBDHN CC(COC(=O)c1ccnn1-c1ccccc1)[N+](=O)[O-] ZINC000813104427 617342969 /nfs/dbraw/zinc/34/29/69/617342969.db2.gz CKKUHISPYYRNDN-SNVBAGLBSA-N 0 3 275.264 1.694 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000893221894 617473121 /nfs/dbraw/zinc/47/31/21/617473121.db2.gz SFEAGIRKISOZMQ-KOLCDFICSA-N 0 3 296.323 1.966 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893221893 617473227 /nfs/dbraw/zinc/47/32/27/617473227.db2.gz SFEAGIRKISOZMQ-GXSJLCMTSA-N 0 3 296.323 1.966 20 5 CDBDHN CC(COC(=O)c1cc(C(F)(F)F)ccn1)[N+](=O)[O-] ZINC000893048475 618100218 /nfs/dbraw/zinc/10/02/18/618100218.db2.gz WDQUDGBSVJWXRI-ZCFIWIBFSA-N 0 3 278.186 1.922 20 5 CDBDHN COc1c(O)ccc(CNC[C@H](OC)C2CC2)c1[N+](=O)[O-] ZINC000894631598 618998326 /nfs/dbraw/zinc/99/83/26/618998326.db2.gz IGVHQIMBVKGHJP-LBPRGKRZSA-N 0 3 296.323 1.824 20 5 CDBDHN C[C@H](N[C@@H]1COC[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905864793 627008198 /nfs/dbraw/zinc/00/81/98/627008198.db2.gz GGSIDADHJIZQTG-GBIKHYSHSA-N 0 3 293.323 1.546 20 5 CDBDHN C[C@H](N[C@H]1COC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905867811 627010218 /nfs/dbraw/zinc/01/02/18/627010218.db2.gz OPRKNLYNJCKGNI-NRUUGDAUSA-N 0 3 293.323 1.546 20 5 CDBDHN Cc1nn(CN2CCN(C)C[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000153677206 631785335 /nfs/dbraw/zinc/78/53/35/631785335.db2.gz GHNIUBYKEIVACZ-CYBMUJFWSA-N 0 3 295.387 1.638 20 5 CDBDHN CC(=O)Nc1ccc(NCC2CN(C)C2)cc1[N+](=O)[O-] ZINC001170256087 1162318638 /nfs/dbraw/zinc/31/86/38/1162318638.db2.gz COKKTRFMFCOBJT-UHFFFAOYSA-N 0 3 278.312 1.527 20 5 CDBDHN C[C@H](Nc1ccc(N(C)C)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170576253 1162992638 /nfs/dbraw/zinc/99/26/38/1162992638.db2.gz ZOHGRWGAGQLIRD-IINYFYTJSA-N 0 3 294.355 1.450 20 5 CDBDHN CC(COC(=O)c1ccc(NC(=O)C2CC2)cc1)[N+](=O)[O-] ZINC000813115275 1163817810 /nfs/dbraw/zinc/81/78/10/1163817810.db2.gz OEECPVDAPQYNDZ-VIFPVBQESA-N 0 3 292.291 1.857 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H](CO)[C@@H](C)O ZINC000873130254 1165513680 /nfs/dbraw/zinc/51/36/80/1165513680.db2.gz CHKJBVKEAFSRLT-ZYHUDNBSSA-N 0 3 268.313 1.043 20 5 CDBDHN C[C@@H](N)c1nc2ccccc2n1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001155248398 1167108032 /nfs/dbraw/zinc/10/80/32/1167108032.db2.gz UBNLESNEDXCWIW-SECBINFHSA-N 0 3 299.290 1.587 20 5 CDBDHN COc1cc(CN[C@H]2C[NH2+]CC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC001579152854 1172108267 /nfs/dbraw/zinc/10/82/67/1172108267.db2.gz KZBXTDDFVLEZKT-ZDUSSCGKSA-N 0 3 295.339 1.397 20 5 CDBDHN C[C@@H](C[NH+](C)C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591723135 1173690857 /nfs/dbraw/zinc/69/08/57/1173690857.db2.gz NOHYPOSTCUKHHF-QMMMGPOBSA-N 0 3 291.315 1.137 20 5 CDBDHN C[C@@H](C[NH+](C)C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591723135 1173690855 /nfs/dbraw/zinc/69/08/55/1173690855.db2.gz NOHYPOSTCUKHHF-QMMMGPOBSA-N 0 3 291.315 1.137 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1nncc1CN ZINC001173234976 912332919 /nfs/dbraw/zinc/33/29/19/912332919.db2.gz RLAXJBGADAWQSG-VIFPVBQESA-N 0 3 261.285 1.449 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1(C)COC1 ZINC001173214130 912336856 /nfs/dbraw/zinc/33/68/56/912336856.db2.gz MGDYFBBQZVEXHG-JTQLQIEISA-N 0 3 250.298 1.904 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1(C)COC1 ZINC001173214132 912336908 /nfs/dbraw/zinc/33/69/08/912336908.db2.gz MGDYFBBQZVEXHG-SNVBAGLBSA-N 0 3 250.298 1.904 20 5 CDBDHN O=C1SCC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167956055 904141073 /nfs/dbraw/zinc/14/10/73/904141073.db2.gz WYUVYVDNEUUTQW-VIFPVBQESA-N 0 3 279.321 1.642 20 5 CDBDHN CC(C)N1CCN(c2cccc([N+](=O)[O-])n2)C[C@H]1C ZINC001165198856 924999371 /nfs/dbraw/zinc/99/93/71/924999371.db2.gz CUUREQKTQUXVPG-LLVKDONJSA-N 0 3 264.329 1.909 20 5 CDBDHN CN(Cc1cnccn1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037447 927646455 /nfs/dbraw/zinc/64/64/55/927646455.db2.gz RXABYTJUFFMNAO-CMPLNLGQSA-N 0 3 250.302 1.354 20 5 CDBDHN CCCN(CC(=O)OCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039708 927651532 /nfs/dbraw/zinc/65/15/32/927651532.db2.gz SNHFKXJKIKBRCU-VXGBXAGGSA-N 0 3 272.345 1.707 20 5 CDBDHN C[C@@H](N)c1ccn(-c2nc(Cl)ccc2[N+](=O)[O-])n1 ZINC001169232223 927840196 /nfs/dbraw/zinc/84/01/96/927840196.db2.gz BADGIVVEJDJBIJ-ZCFIWIBFSA-N 0 3 267.676 1.849 20 5 CDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(-n2cnc3c2CNCC3)n1 ZINC001164310250 939451322 /nfs/dbraw/zinc/45/13/22/939451322.db2.gz NATYJPUAAUQPGM-UHFFFAOYSA-N 0 3 294.702 1.178 20 5 CDBDHN COc1cc(OC2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001226576287 942029133 /nfs/dbraw/zinc/02/91/33/942029133.db2.gz PNMSWSXOPCNVBD-UHFFFAOYSA-N 0 3 267.285 1.471 20 5 CDBDHN C[C@H](C[NH+](C)C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690145 942205632 /nfs/dbraw/zinc/20/56/32/942205632.db2.gz GOKORNCTPLMBDB-SSDOTTSWSA-N 0 3 265.273 1.195 20 5 CDBDHN COC(=O)c1ccc([O-])c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001227825603 942233288 /nfs/dbraw/zinc/23/32/88/942233288.db2.gz MMIAPPGXWKVTFV-VIFPVBQESA-O 0 3 269.321 1.047 20 5 CDBDHN COc1cccc2nc(=O)[n-]c(O[C@H](C)C[N+](C)(C)C)c21 ZINC001229237795 942437880 /nfs/dbraw/zinc/43/78/80/942437880.db2.gz BDJLVJMSVBWXGM-SNVBAGLBSA-O 0 3 292.359 1.818 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C)C1=O ZINC001254536789 947515765 /nfs/dbraw/zinc/51/57/65/947515765.db2.gz TVAWREZDNVEODA-JQWIXIFHSA-N 0 3 277.324 1.346 20 5 CDBDHN CC[C@@H](C)N1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001339741652 962514559 /nfs/dbraw/zinc/51/45/59/962514559.db2.gz GTBOXXWQSZLXSS-SNVBAGLBSA-N 0 3 279.344 1.493 20 5 CDBDHN CO[C@@]1(C)C[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346376135 965071000 /nfs/dbraw/zinc/07/10/00/965071000.db2.gz IESFLWYGFBTQNS-XQQFMLRXSA-N 0 3 266.297 1.395 20 5 CDBDHN Cc1cc(N[C@@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000589101429 342496880 /nfs/dbraw/zinc/49/68/80/342496880.db2.gz DFTYVDQCIYAUFI-LLVKDONJSA-N 0 3 253.302 1.238 20 5 CDBDHN COc1ccc(CNC[C@@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971957 342612318 /nfs/dbraw/zinc/61/23/18/342612318.db2.gz ZRKJEBBALUKNBQ-NSHDSACASA-N 0 3 293.323 1.219 20 5 CDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCN1CCCC1 ZINC000593391964 342794120 /nfs/dbraw/zinc/79/41/20/342794120.db2.gz OVEWTRDBQIEZHR-UHFFFAOYSA-N 0 3 295.314 1.488 20 5 CDBDHN COC[C@H](O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000129645242 342190010 /nfs/dbraw/zinc/19/00/10/342190010.db2.gz ONZZNJUCRSAFKI-CMPLNLGQSA-N 0 3 268.313 1.561 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCC[C@@]2(O)CCCOC2)c1 ZINC000593691297 342823303 /nfs/dbraw/zinc/82/33/03/342823303.db2.gz VROFVCWHRGNUPE-AWEZNQCLSA-N 0 3 280.324 1.616 20 5 CDBDHN CN(CCN1CCCCC1)c1cccnc1[N+](=O)[O-] ZINC000593516496 342805708 /nfs/dbraw/zinc/80/57/08/342805708.db2.gz OORXWNLMUQMSIP-UHFFFAOYSA-N 0 3 264.329 1.912 20 5 CDBDHN CO[C@@H](CN)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000290017305 361975783 /nfs/dbraw/zinc/97/57/83/361975783.db2.gz QTGVXBODGMVKSI-ZDUSSCGKSA-N 0 3 295.339 1.306 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(CO)CC1 ZINC000594496351 342914125 /nfs/dbraw/zinc/91/41/25/342914125.db2.gz KSWKZGLCWSCILB-GFCCVEGCSA-N 0 3 262.309 1.944 20 5 CDBDHN CCCn1nccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000594931612 342975080 /nfs/dbraw/zinc/97/50/80/342975080.db2.gz QCOHYVRDBSUCRF-UHFFFAOYSA-N 0 3 278.316 1.188 20 5 CDBDHN CC(C)(NC[C@@H]1CNC(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000595508545 343080817 /nfs/dbraw/zinc/08/08/17/343080817.db2.gz BFKWMNIOPCBDSE-JTQLQIEISA-N 0 3 277.324 1.556 20 5 CDBDHN O=c1[n-]ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596076858 343226880 /nfs/dbraw/zinc/22/68/80/343226880.db2.gz QTEVZTYUYQSUBV-GXSJLCMTSA-N 0 3 278.312 1.734 20 5 CDBDHN O=c1[n-]ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596076858 343226882 /nfs/dbraw/zinc/22/68/82/343226882.db2.gz QTEVZTYUYQSUBV-GXSJLCMTSA-N 0 3 278.312 1.734 20 5 CDBDHN Nc1ccc(N2CC[C@@H](N3CC=CC3)C2)nc1[N+](=O)[O-] ZINC000596143103 343242442 /nfs/dbraw/zinc/24/24/42/343242442.db2.gz YAIYXFHCEAJVDI-SNVBAGLBSA-N 0 3 275.312 1.023 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CC2)CC1 ZINC000602799980 344589708 /nfs/dbraw/zinc/58/97/08/344589708.db2.gz SPWFKJDENZYXMB-UHFFFAOYSA-N 0 3 264.329 1.976 20 5 CDBDHN CCOCCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602799049 344589432 /nfs/dbraw/zinc/58/94/32/344589432.db2.gz QLVQZNWJSDBTNJ-UHFFFAOYSA-N 0 3 256.306 1.068 20 5 CDBDHN COC[C@@]1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602835264 344618217 /nfs/dbraw/zinc/61/82/17/344618217.db2.gz IMXFTTNUROLRPK-ZDUSSCGKSA-N 0 3 282.344 1.458 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[C@](C)(CO)C1 ZINC000602902065 344655285 /nfs/dbraw/zinc/65/52/85/344655285.db2.gz FOUGIFVOEVPVCN-MFKMUULPSA-N 0 3 282.344 1.050 20 5 CDBDHN CO[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842136 344622163 /nfs/dbraw/zinc/62/21/63/344622163.db2.gz QHZZDMWNSIAYMV-ZYHUDNBSSA-N 0 3 282.344 1.457 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1CSCCN1 ZINC000603421288 344800255 /nfs/dbraw/zinc/80/02/55/344800255.db2.gz ZGJMBYYTADVEST-MRVPVSSYSA-N 0 3 288.760 1.760 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](OCCN(C)C)C1 ZINC000611298010 346739482 /nfs/dbraw/zinc/73/94/82/346739482.db2.gz CXJXLQJZLRCKRX-ZDUSSCGKSA-N 0 3 294.355 1.455 20 5 CDBDHN Cc1ccncc1[C@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000611337041 346751003 /nfs/dbraw/zinc/75/10/03/346751003.db2.gz WTGOEEKBIZPELH-NSHDSACASA-N 0 3 275.312 1.846 20 5 CDBDHN O=[N+]([O-])c1ccccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000112090931 365872889 /nfs/dbraw/zinc/87/28/89/365872889.db2.gz DFQYHFAXGACCSP-VXGBXAGGSA-N 0 3 277.324 1.870 20 5 CDBDHN CC(C)[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000312157685 347675838 /nfs/dbraw/zinc/67/58/38/347675838.db2.gz JHVKXHFJQGCPAD-ZDUSSCGKSA-N 0 3 275.312 1.890 20 5 CDBDHN CSC[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552705 180002782 /nfs/dbraw/zinc/00/27/82/180002782.db2.gz GHQDRWHUBVHYCY-GFCCVEGCSA-N 0 3 297.380 1.584 20 5 CDBDHN Cc1cnc(NC[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000090692035 180024518 /nfs/dbraw/zinc/02/45/18/180024518.db2.gz JTFXFAFGJMJXDJ-JTQLQIEISA-N 0 3 250.302 1.662 20 5 CDBDHN Cc1cnn(CCNCc2cccc([N+](=O)[O-])c2)c1 ZINC000105881283 186082686 /nfs/dbraw/zinc/08/26/86/186082686.db2.gz WXLIEISZJIACMV-UHFFFAOYSA-N 0 3 260.297 1.890 20 5 CDBDHN Cc1ccc([C@H](C)NCCn2cncn2)cc1[N+](=O)[O-] ZINC000268850374 366005534 /nfs/dbraw/zinc/00/55/34/366005534.db2.gz SPZRMIPERAJNKU-NSHDSACASA-N 0 3 275.312 1.846 20 5 CDBDHN COc1ccc(CC(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000067906124 351017080 /nfs/dbraw/zinc/01/70/80/351017080.db2.gz LVVGDRSMIOWUSI-SNVBAGLBSA-N 0 3 295.339 1.212 20 5 CDBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000122578852 187039776 /nfs/dbraw/zinc/03/97/76/187039776.db2.gz GRMTUJYXYSUKPY-MNOVXSKESA-N 0 3 252.318 1.769 20 5 CDBDHN COc1ccc(CN[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000052013333 363128407 /nfs/dbraw/zinc/12/84/07/363128407.db2.gz ZSKVDGXBGIXIIR-AAEUAGOBSA-N 0 3 280.324 1.997 20 5 CDBDHN CNC(=O)CCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000155068928 188179827 /nfs/dbraw/zinc/17/98/27/188179827.db2.gz KEFVOZSFEGEXAT-UHFFFAOYSA-N 0 3 295.339 1.432 20 5 CDBDHN C[C@@H]1CCN[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000127089849 356267177 /nfs/dbraw/zinc/26/71/77/356267177.db2.gz LJFQSODOXPOKKK-ZYHUDNBSSA-N 0 3 277.324 1.599 20 5 CDBDHN C[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(=O)[nH]n1 ZINC000286263200 356236917 /nfs/dbraw/zinc/23/69/17/356236917.db2.gz VASAJJBUPWFDKR-JTQLQIEISA-N 0 3 288.307 1.571 20 5 CDBDHN CCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286261181 356238191 /nfs/dbraw/zinc/23/81/91/356238191.db2.gz AXRFBICXRAHDBK-ZDUSSCGKSA-N 0 3 293.367 2.000 20 5 CDBDHN CC[C@H](N)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000229935099 356322076 /nfs/dbraw/zinc/32/20/76/356322076.db2.gz KGXVZWNEQVPJDE-JTQLQIEISA-N 0 3 261.285 1.644 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000360983873 357764314 /nfs/dbraw/zinc/76/43/14/357764314.db2.gz IAKNUUSPMMJORW-CMPLNLGQSA-N 0 3 295.387 1.896 20 5 CDBDHN C[C@H](NCCN1CCOC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000361106257 357800520 /nfs/dbraw/zinc/80/05/20/357800520.db2.gz FIGRHLRFJMXKGC-OLZOCXBDSA-N 0 3 293.367 1.966 20 5 CDBDHN CN[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000566473947 357818218 /nfs/dbraw/zinc/81/82/18/357818218.db2.gz MUYGWUQKTRHRQF-SECBINFHSA-N 0 3 263.297 1.087 20 5 CDBDHN CC[C@]1(CO)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187589665 357783786 /nfs/dbraw/zinc/78/37/86/357783786.db2.gz CHRZCUXAHYTXFZ-ZDUSSCGKSA-N 0 3 282.344 1.276 20 5 CDBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192181258 358179907 /nfs/dbraw/zinc/17/99/07/358179907.db2.gz SJECEBLKWGEHSF-JTQLQIEISA-N 0 3 270.358 1.619 20 5 CDBDHN CN1[C@@H]2CC[C@H]1CCN(c1cc(N)ccc1[N+](=O)[O-])C2 ZINC000192796906 358236444 /nfs/dbraw/zinc/23/64/44/358236444.db2.gz YJDJOHOIPQHWPB-NWDGAFQWSA-N 0 3 276.340 1.850 20 5 CDBDHN COCC[C@@H](CO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000341572230 358660963 /nfs/dbraw/zinc/66/09/63/358660963.db2.gz XKRNDTCRDJBEAN-AGLBCWCQSA-N 0 3 280.324 1.595 20 5 CDBDHN COC[C@@H](O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539060751 358952946 /nfs/dbraw/zinc/95/29/46/358952946.db2.gz QUHMIVJMDANMTL-AAEUAGOBSA-N 0 3 282.340 1.951 20 5 CDBDHN Cc1nn(C)c(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000072089531 359030319 /nfs/dbraw/zinc/03/03/19/359030319.db2.gz LEADBCFKAJRZHP-NSHDSACASA-N 0 3 279.344 1.311 20 5 CDBDHN CCCC[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015968 359275708 /nfs/dbraw/zinc/27/57/08/359275708.db2.gz DETVVRVXVRYKQD-NSHDSACASA-N 0 3 265.313 1.729 20 5 CDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000479495274 359448749 /nfs/dbraw/zinc/44/87/49/359448749.db2.gz BACBTQRNHXGMNX-SECBINFHSA-N 0 3 295.343 1.120 20 5 CDBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159457162 359480022 /nfs/dbraw/zinc/48/00/22/359480022.db2.gz LFYIAAIWSLTZDK-RISCZKNCSA-N 0 3 264.325 1.840 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CNCCO2)c(F)c1 ZINC000134270436 359843018 /nfs/dbraw/zinc/84/30/18/359843018.db2.gz WDXJZHBULTWXAW-SECBINFHSA-N 0 3 255.249 1.134 20 5 CDBDHN CC[C@@H](CSC)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091099742 360229269 /nfs/dbraw/zinc/22/92/69/360229269.db2.gz ZLHZXNWCSHWRDJ-NSHDSACASA-N 0 3 299.396 1.830 20 5 CDBDHN C[C@@H](O)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000131334092 361074280 /nfs/dbraw/zinc/07/42/80/361074280.db2.gz BBUXORFCEGFEIU-SNVBAGLBSA-N 0 3 254.286 1.286 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000345816315 364023361 /nfs/dbraw/zinc/02/33/61/364023361.db2.gz LFINIIAJXVJUKR-QWHCGFSZSA-N 0 3 291.351 1.908 20 5 CDBDHN Cc1nc(N[C@@H]2CCN(C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527513 364141024 /nfs/dbraw/zinc/14/10/24/364141024.db2.gz BWMBEOOBFXOPNO-PSASIEDQSA-N 0 3 265.317 1.588 20 5 CDBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174835292 364582109 /nfs/dbraw/zinc/58/21/09/364582109.db2.gz AZGYBMANKVIHBJ-NSHDSACASA-N 0 3 252.318 1.913 20 5 CDBDHN NC(=O)C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000175202081 364644434 /nfs/dbraw/zinc/64/44/34/364644434.db2.gz PPUXXZBFTOQRKT-GFCCVEGCSA-N 0 3 277.324 1.682 20 5 CDBDHN Cc1nc(N2CC[C@H]3CC[C@@H](C2)N3C)ccc1[N+](=O)[O-] ZINC000268518605 364795903 /nfs/dbraw/zinc/79/59/03/364795903.db2.gz UQLBNQSNHUDPFT-NEPJUHHUSA-N 0 3 276.340 1.971 20 5 CDBDHN CCN(C)C(=O)[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000231851900 364981892 /nfs/dbraw/zinc/98/18/92/364981892.db2.gz IEPHLEQADHGRRP-NSHDSACASA-N 0 3 279.340 1.594 20 5 CDBDHN CC1(C)CCCN1CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000457052535 365344592 /nfs/dbraw/zinc/34/45/92/365344592.db2.gz ANFPADUDYNSPGH-UHFFFAOYSA-N 0 3 281.312 1.792 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000275814924 193136449 /nfs/dbraw/zinc/13/64/49/193136449.db2.gz DSXXOYREYULTCW-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN Cc1c(CNC(=O)[C@H](C)NC2CC2)cccc1[N+](=O)[O-] ZINC000383027854 368546613 /nfs/dbraw/zinc/54/66/13/368546613.db2.gz IATCYAKPYVPGHP-JTQLQIEISA-N 0 3 277.324 1.660 20 5 CDBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000330655389 203084031 /nfs/dbraw/zinc/08/40/31/203084031.db2.gz MOEXKHBFABRXQD-UHFFFAOYSA-N 0 3 280.328 1.147 20 5 CDBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000330680260 203111263 /nfs/dbraw/zinc/11/12/63/203111263.db2.gz FLMYLMUTRHQVSU-JTQLQIEISA-N 0 3 281.312 1.792 20 5 CDBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330755481 203192925 /nfs/dbraw/zinc/19/29/25/203192925.db2.gz KAWJEFRHEVSEOY-NSHDSACASA-N 0 3 294.355 1.917 20 5 CDBDHN COCCNCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414891884 369308285 /nfs/dbraw/zinc/30/82/85/369308285.db2.gz WLMZQYCVXULYGD-UHFFFAOYSA-N 0 3 267.329 1.229 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000422013685 244935803 /nfs/dbraw/zinc/93/58/03/244935803.db2.gz DBOOWUKYHRGIPS-SECBINFHSA-N 0 3 266.301 1.089 20 5 CDBDHN C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269624420 373188998 /nfs/dbraw/zinc/18/89/98/373188998.db2.gz CGRJCBOOAKEBSG-GWCFXTLKSA-N 0 3 250.298 1.970 20 5 CDBDHN CCN(CCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667589 373536313 /nfs/dbraw/zinc/53/63/13/373536313.db2.gz SYHQPRZHTIWVTP-ZDUSSCGKSA-N 0 3 268.313 1.333 20 5 CDBDHN C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCC[C@H](C)C1 ZINC000298725378 374082131 /nfs/dbraw/zinc/08/21/31/374082131.db2.gz MMYDMEZHHSLMSL-VHSXEESVSA-N 0 3 294.359 1.499 20 5 CDBDHN CCC[C@@]1(CO)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377544455 374606792 /nfs/dbraw/zinc/60/67/92/374606792.db2.gz PWWRFFRPLFEUCP-CYBMUJFWSA-N 0 3 282.344 1.276 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)[C@H]2CCCO2)cc1 ZINC000447913690 374721450 /nfs/dbraw/zinc/72/14/50/374721450.db2.gz JMHQOOHQVQHNQV-CHWSQXEVSA-N 0 3 266.297 1.224 20 5 CDBDHN CCN1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000449518943 374816180 /nfs/dbraw/zinc/81/61/80/374816180.db2.gz OZOUPXYVFOQHAD-SCXUMTSISA-N 0 3 289.335 1.818 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCCN2C2CC2)nc1 ZINC000277336376 374782532 /nfs/dbraw/zinc/78/25/32/374782532.db2.gz FEMSIHQNCHGFJO-NSHDSACASA-N 0 3 277.328 1.814 20 5 CDBDHN C[C@@]1(C(N)=O)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000280226818 374988659 /nfs/dbraw/zinc/98/86/59/374988659.db2.gz JMJGYAJPGSLWNG-CSPWOOARSA-N 0 3 289.335 1.805 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125342184 374996615 /nfs/dbraw/zinc/99/66/15/374996615.db2.gz BSNAVDTYGMAOFZ-SUHUHFCYSA-N 0 3 262.309 1.798 20 5 CDBDHN CC1=C(C)CN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000280774426 375022507 /nfs/dbraw/zinc/02/25/07/375022507.db2.gz PMQQBMITCLJHHZ-UHFFFAOYSA-N 0 3 250.302 1.833 20 5 CDBDHN C[C@H](NCCn1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283873487 375126400 /nfs/dbraw/zinc/12/64/00/375126400.db2.gz BWZAWSYRWZMXOT-JTQLQIEISA-N 0 3 275.312 1.724 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)C2CC2)c(F)c1 ZINC000336790326 375290360 /nfs/dbraw/zinc/29/03/60/375290360.db2.gz LCHPGCUVRHSHNX-LBPRGKRZSA-N 0 3 254.261 1.594 20 5 CDBDHN CCOC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000495903705 375457985 /nfs/dbraw/zinc/45/79/85/375457985.db2.gz MYEBEPCUFSNBJF-ZJUUUORDSA-N 0 3 288.300 1.063 20 5 CDBDHN C[C@H](O)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000304528133 375459313 /nfs/dbraw/zinc/45/93/13/375459313.db2.gz MHZRCSYGCSFBCV-JQWIXIFHSA-N 0 3 268.317 1.027 20 5 CDBDHN C[C@@H](O)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000304528312 375459978 /nfs/dbraw/zinc/45/99/78/375459978.db2.gz MHZRCSYGCSFBCV-PWSUYJOCSA-N 0 3 268.317 1.027 20 5 CDBDHN C[C@H]1CSC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352798874 375541056 /nfs/dbraw/zinc/54/10/56/375541056.db2.gz DTJBZJREJKCYPG-GZMMTYOYSA-N 0 3 295.364 1.535 20 5 CDBDHN CC[C@@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000294158029 375720446 /nfs/dbraw/zinc/72/04/46/375720446.db2.gz QNHAZIJPFDKICL-JTQLQIEISA-N 0 3 256.277 1.937 20 5 CDBDHN Cc1cc(NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000134273787 375948301 /nfs/dbraw/zinc/94/83/01/375948301.db2.gz UHPHNNGEDSCHBN-NSHDSACASA-N 0 3 251.286 1.304 20 5 CDBDHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)c(N)c([N+](=O)[O-])c1 ZINC000264263029 190100386 /nfs/dbraw/zinc/10/03/86/190100386.db2.gz UJYPVRRGGMBGIH-SECBINFHSA-N 0 3 280.328 1.165 20 5 CDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000264448707 190110470 /nfs/dbraw/zinc/11/04/70/190110470.db2.gz SECSXGIDTULBFF-QWHCGFSZSA-N 0 3 296.323 1.055 20 5 CDBDHN O=C(Nc1cccc2c1C[NH2+]C2)c1n[n-]cc1[N+](=O)[O-] ZINC001580780120 1172538403 /nfs/dbraw/zinc/53/84/03/1172538403.db2.gz JOBYOBIAXPQJPI-UHFFFAOYSA-N 0 3 273.252 1.173 20 5 CDBDHN CN(CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000344231198 379341636 /nfs/dbraw/zinc/34/16/36/379341636.db2.gz YORMIEUDYMPJBR-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN C[C@@H]1C[C@@H](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000267069862 190301329 /nfs/dbraw/zinc/30/13/29/190301329.db2.gz KPQDLXFTDFZRSG-WDEREUQCSA-N 0 3 252.318 1.912 20 5 CDBDHN C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CN1C1CC1 ZINC000267895292 190361414 /nfs/dbraw/zinc/36/14/14/190361414.db2.gz UBSKSFKWZMUUAR-BDAKNGLRSA-N 0 3 265.317 1.365 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CCN(C)C ZINC000288553101 197110567 /nfs/dbraw/zinc/11/05/67/197110567.db2.gz VTLORMXGQVTURG-UHFFFAOYSA-N 0 3 295.339 1.688 20 5 CDBDHN C[C@H](NC[C@@H](CO)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000280200403 194745428 /nfs/dbraw/zinc/74/54/28/194745428.db2.gz BKHZFDLLGLVOAX-YUTCNCBUSA-N 0 3 294.351 1.890 20 5 CDBDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000505577207 254090249 /nfs/dbraw/zinc/09/02/49/254090249.db2.gz RUJAWBKOBFOEOO-MNOVXSKESA-N 0 3 281.360 1.861 20 5 CDBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000505881726 254095216 /nfs/dbraw/zinc/09/52/16/254095216.db2.gz RCKDYJFYOSSGLY-ALCCZGGFSA-N 0 3 250.298 1.922 20 5 CDBDHN CC[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000282369168 195589459 /nfs/dbraw/zinc/58/94/59/195589459.db2.gz BXYAKBQXMAIFBY-CQSZACIVSA-N 0 3 293.367 1.936 20 5 CDBDHN CC(C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000106910444 390562143 /nfs/dbraw/zinc/56/21/43/390562143.db2.gz RKRIEQIJSMHKCM-AWEZNQCLSA-N 0 3 293.367 1.840 20 5 CDBDHN COC[C@@](C)(O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517173218 390968588 /nfs/dbraw/zinc/96/85/88/390968588.db2.gz RUKNARDETJHNAQ-JSGCOSHPSA-N 0 3 280.324 1.569 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(CCN(C)C2)C1 ZINC000366130733 391341919 /nfs/dbraw/zinc/34/19/19/391341919.db2.gz AFMIYWZFGLTHLF-AWEZNQCLSA-N 0 3 276.340 1.830 20 5 CDBDHN CN(C)C(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292050572 391371246 /nfs/dbraw/zinc/37/12/46/391371246.db2.gz BOCOJXKALWCTJZ-UHFFFAOYSA-N 0 3 279.340 1.898 20 5 CDBDHN COCCNCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000215515603 140161766 /nfs/dbraw/zinc/16/17/66/140161766.db2.gz LZUSEVDPLQJKGV-UHFFFAOYSA-N 0 3 257.265 1.382 20 5 CDBDHN COCCNCCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000215520907 140162311 /nfs/dbraw/zinc/16/23/11/140162311.db2.gz QXYWPLQRBAIOMM-UHFFFAOYSA-N 0 3 269.301 1.251 20 5 CDBDHN COC[C@@H](CO)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449298276 393133973 /nfs/dbraw/zinc/13/39/73/393133973.db2.gz JCNZNLCWALDGFL-ZYHUDNBSSA-N 0 3 268.313 1.123 20 5 CDBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000449658819 393137781 /nfs/dbraw/zinc/13/77/81/393137781.db2.gz UNSJXOZTMJFGIR-JTQLQIEISA-N 0 3 285.250 1.322 20 5 CDBDHN C[C@H]1CN(CC(C)(C)O)CCN1c1ccccc1[N+](=O)[O-] ZINC000275837781 135114046 /nfs/dbraw/zinc/11/40/46/135114046.db2.gz PHUYTINHLRJDBY-LBPRGKRZSA-N 0 3 293.367 1.876 20 5 CDBDHN O=[N+]([O-])c1ccccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252666950 140321937 /nfs/dbraw/zinc/32/19/37/140321937.db2.gz DFQYHFAXGACCSP-RYUDHWBXSA-N 0 3 277.324 1.870 20 5 CDBDHN CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000352386998 155151755 /nfs/dbraw/zinc/15/17/55/155151755.db2.gz MINNLRNSQGWPFV-UHFFFAOYSA-N 0 3 268.317 1.385 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343458073 152187927 /nfs/dbraw/zinc/18/79/27/152187927.db2.gz VWOYUIORVSVVFK-ZWNOBZJWSA-N 0 3 277.324 1.807 20 5 CDBDHN C[C@H](NC(=O)CCOC1CNC1)c1cccc([N+](=O)[O-])c1 ZINC000348987118 154020254 /nfs/dbraw/zinc/02/02/54/154020254.db2.gz DQPAUETUMZETHL-JTQLQIEISA-N 0 3 293.323 1.151 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](N)C(C)C ZINC000353438455 155853275 /nfs/dbraw/zinc/85/32/75/155853275.db2.gz LFJYBXNARCJUMT-GFCCVEGCSA-N 0 3 281.312 1.203 20 5 CDBDHN Cc1ccc(CNC[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000037998139 173961030 /nfs/dbraw/zinc/96/10/30/173961030.db2.gz QBIRHPOFOWWXRS-LBPRGKRZSA-N 0 3 266.297 1.408 20 5 CDBDHN NC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000040676264 174373767 /nfs/dbraw/zinc/37/37/67/174373767.db2.gz NYPLUAYPUATVHM-UHFFFAOYSA-N 0 3 291.351 1.915 20 5 CDBDHN CC[C@@H](NC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270551 176103771 /nfs/dbraw/zinc/10/37/71/176103771.db2.gz VLCDRUIJLIRHQL-CHWSQXEVSA-N 0 3 268.313 1.643 20 5 CDBDHN CNC(=O)C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000322643729 270331060 /nfs/dbraw/zinc/33/10/60/270331060.db2.gz CKDJSVZHZNASIM-NXEZZACHSA-N 0 3 265.313 1.770 20 5 CDBDHN CNc1c(C(=O)N(C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000161486441 277042478 /nfs/dbraw/zinc/04/24/78/277042478.db2.gz TTXKFXSTHHZROB-UHFFFAOYSA-N 0 3 280.328 1.270 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(CCN(C)C3)C2)n1 ZINC000292459400 281013767 /nfs/dbraw/zinc/01/37/67/281013767.db2.gz ZWXCDUPYSCBYQC-CQSZACIVSA-N 0 3 276.340 1.830 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN(C)C1CC1 ZINC000277867330 281257746 /nfs/dbraw/zinc/25/77/46/281257746.db2.gz AQHSBOGRAVSQBF-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000561616415 293095081 /nfs/dbraw/zinc/09/50/81/293095081.db2.gz QXONGOHOAYQDNR-VHSXEESVSA-N 0 3 293.327 1.017 20 5 CDBDHN C[C@H]1C[C@H](C)CN(CCn2nccc2[N+](=O)[O-])C1 ZINC000581835579 324842962 /nfs/dbraw/zinc/84/29/62/324842962.db2.gz DXLFELYCUNDRPZ-QWRGUYRKSA-N 0 3 252.318 1.769 20 5 CDBDHN CNc1c(C(=O)N[C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000161517311 522540607 /nfs/dbraw/zinc/54/06/07/522540607.db2.gz KUFZLOFMGAURKR-VIFPVBQESA-N 0 3 280.328 1.316 20 5 CDBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])cc1F ZINC000061379770 523616936 /nfs/dbraw/zinc/61/69/36/523616936.db2.gz XHCJQKLVXXOVRJ-UHFFFAOYSA-N 0 3 271.292 1.724 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H]1CN1CCCC1 ZINC000338678864 526713431 /nfs/dbraw/zinc/71/34/31/526713431.db2.gz YTOZWTXJIKXPCM-NSHDSACASA-N 0 3 292.339 1.623 20 5 CDBDHN O=[N+]([O-])c1ccccc1CCN[C@@H]1CCCS(=O)(=O)C1 ZINC000069144502 527398808 /nfs/dbraw/zinc/39/88/08/527398808.db2.gz CBJCQIRXFBBAFM-GFCCVEGCSA-N 0 3 298.364 1.304 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000744799748 574450671 /nfs/dbraw/zinc/45/06/71/574450671.db2.gz QIMUUHLAKIHBJQ-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN CN(CCN(C)C1CC1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000770221118 575432503 /nfs/dbraw/zinc/43/25/03/575432503.db2.gz HUHRJNJLCUBEDN-UHFFFAOYSA-N 0 3 289.339 1.773 20 5 CDBDHN C[C@]1(CO)CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759900337 576441907 /nfs/dbraw/zinc/44/19/07/576441907.db2.gz GCLDIHJQXOMYBM-ZIAGYGMSSA-N 0 3 280.324 1.475 20 5 CDBDHN CCOC(=O)N[C@@H](CNCC[N+](=O)[O-])CC(C)C ZINC000899869618 622494609 /nfs/dbraw/zinc/49/46/09/622494609.db2.gz HOZHVGVCQTXBBN-SNVBAGLBSA-N 0 3 261.322 1.014 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000934045057 617868082 /nfs/dbraw/zinc/86/80/82/617868082.db2.gz ZOLYZQBZFSYIOR-ZIAGYGMSSA-N 0 3 296.323 1.367 20 5 CDBDHN O=[N+]([O-])CCNC[C@@H]1SCCc2ccccc21 ZINC000905156552 626640310 /nfs/dbraw/zinc/64/03/10/626640310.db2.gz SWCMSIKPYWHEOT-LBPRGKRZSA-N 0 3 252.339 1.883 20 5 CDBDHN COc1cc(F)cc(C[C@H](C)NCC[N+](=O)[O-])c1 ZINC000905282079 626736363 /nfs/dbraw/zinc/73/63/63/626736363.db2.gz YCTMJHRPJDRWIE-VIFPVBQESA-N 0 3 256.277 1.632 20 5 CDBDHN Cc1c(CN2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000917030307 632132824 /nfs/dbraw/zinc/13/28/24/632132824.db2.gz XLKCUNDNJPFDDZ-LBPRGKRZSA-N 0 3 277.324 1.601 20 5 CDBDHN C[C@H](O)CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094835 677812137 /nfs/dbraw/zinc/81/21/37/677812137.db2.gz PGJRVGKOISUIDY-IINYFYTJSA-N 0 3 280.324 1.473 20 5 CDBDHN CCCNC(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813102055 678090338 /nfs/dbraw/zinc/09/03/38/678090338.db2.gz AHTWZAHKQHFYCK-SNVBAGLBSA-N 0 3 294.307 1.648 20 5 CDBDHN O=C1NCCN1CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000886744915 677784711 /nfs/dbraw/zinc/78/47/11/677784711.db2.gz KBGAAAKZMXJFHA-GFCCVEGCSA-N 0 3 290.323 1.197 20 5 CDBDHN CO[C@@H]1C[C@@H](NCc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229991 678102506 /nfs/dbraw/zinc/10/25/06/678102506.db2.gz ZAVDMRHAEAVLCA-GHMZBOCLSA-N 0 3 265.313 1.893 20 5 CDBDHN CN(CCNc1ccsc1[N+](=O)[O-])CCOCCO ZINC000882950869 678193152 /nfs/dbraw/zinc/19/31/52/678193152.db2.gz DMUGLGQVQXGIKE-UHFFFAOYSA-N 0 3 289.357 1.009 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN[C@@H](CCO)C1CC1 ZINC000886129378 678329054 /nfs/dbraw/zinc/32/90/54/678329054.db2.gz CVSSHZQMZCYTSY-NSHDSACASA-N 0 3 251.286 1.240 20 5 CDBDHN Cc1c(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000819189399 678694091 /nfs/dbraw/zinc/69/40/91/678694091.db2.gz CEDFIYGZGMTJHH-CQSZACIVSA-N 0 3 290.323 1.460 20 5 CDBDHN O=C1CC[C@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000851994949 678871302 /nfs/dbraw/zinc/87/13/02/678871302.db2.gz XNOHKRSHWNJZLD-LLVKDONJSA-N 0 3 294.311 1.134 20 5 CDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc2c1O[C@H](C)C2 ZINC000813103507 678930583 /nfs/dbraw/zinc/93/05/83/678930583.db2.gz CGRLRKPUUBBGHO-DTWKUNHWSA-N 0 3 295.291 1.841 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2CCO)c1 ZINC000778267223 678965816 /nfs/dbraw/zinc/96/58/16/678965816.db2.gz CECLBYOSBOVYNC-TZMCWYRMSA-N 0 3 280.324 1.475 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)o1 ZINC000823269181 678991751 /nfs/dbraw/zinc/99/17/51/678991751.db2.gz DMBMQYVXIKOSOU-QYNIQEEDSA-N 0 3 262.225 1.661 20 5 CDBDHN CSc1nc(C(=O)OCC(C)[N+](=O)[O-])c2ccccn21 ZINC000813102544 679018426 /nfs/dbraw/zinc/01/84/26/679018426.db2.gz RMXFIUZZIUUUDK-QMMMGPOBSA-N 0 3 295.320 1.878 20 5 CDBDHN O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839454691 679113842 /nfs/dbraw/zinc/11/38/42/679113842.db2.gz ALFCBXOMMRGNKO-IJLUTSLNSA-N 0 3 293.323 1.198 20 5 CDBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000839647799 679125918 /nfs/dbraw/zinc/12/59/18/679125918.db2.gz WKYZKQSYWUZYFG-GXFFZTMASA-N 0 3 298.314 1.611 20 5 CDBDHN CC1(C)[C@H](NCc2cccnc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000886229388 679135475 /nfs/dbraw/zinc/13/54/75/679135475.db2.gz OYFFBSODDKHUPF-IJLUTSLNSA-N 0 3 277.324 1.893 20 5 CDBDHN CCC[C@@H](C)[C@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886267780 679160654 /nfs/dbraw/zinc/16/06/54/679160654.db2.gz UXRBHSDQMVAFEM-PWSUYJOCSA-N 0 3 267.329 1.877 20 5 CDBDHN CC1(C)CNCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000214045615 679222896 /nfs/dbraw/zinc/22/28/96/679222896.db2.gz CNHHBUZSIPJBJI-YVMONPNESA-N 0 3 289.335 1.818 20 5 CDBDHN CC(C)[C@](C)(CO)NCc1cccnc1[N+](=O)[O-] ZINC000886211685 679391717 /nfs/dbraw/zinc/39/17/17/679391717.db2.gz VCPAMBNRCXDPIN-LBPRGKRZSA-N 0 3 253.302 1.486 20 5 CDBDHN CC(COC(=O)c1ncc2n1CCCC2)[N+](=O)[O-] ZINC000870376195 679444407 /nfs/dbraw/zinc/44/44/07/679444407.db2.gz CVGDTDVZDZGRTF-QMMMGPOBSA-N 0 3 253.258 1.041 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1CNCCO1 ZINC000134275475 679445978 /nfs/dbraw/zinc/44/59/78/679445978.db2.gz HGMLZWVVKNVAMW-MRVPVSSYSA-N 0 3 272.692 1.044 20 5 CDBDHN CO[C@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453930 679600654 /nfs/dbraw/zinc/60/06/54/679600654.db2.gz IKQWZMRCOHCDAR-CMPLNLGQSA-N 0 3 267.281 1.453 20 5 CDBDHN COc1ccc(C[C@H](C)NCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170298155 1162328651 /nfs/dbraw/zinc/32/86/51/1162328651.db2.gz GRXDTXNIZOCENA-JTQLQIEISA-N 0 3 295.339 1.212 20 5 CDBDHN Cc1c(N[C@H](C)[C@H]2CNCCO2)cc(F)cc1[N+](=O)[O-] ZINC001170567779 1162950142 /nfs/dbraw/zinc/95/01/42/1162950142.db2.gz LUWBTGQVDZWAQN-NOZJJQNGSA-N 0 3 283.303 1.831 20 5 CDBDHN Cc1cc(CN)nn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156038560 1161984522 /nfs/dbraw/zinc/98/45/22/1161984522.db2.gz BSPQDINTWIFLAP-UHFFFAOYSA-N 0 3 284.279 1.491 20 5 CDBDHN NCc1cnnn1-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001169311392 1162002995 /nfs/dbraw/zinc/00/29/95/1162002995.db2.gz HAXSHRZFNWEEMI-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN COc1cc(N[C@]2(C)CCCN(C)C2)ncc1[N+](=O)[O-] ZINC001162341505 922356277 /nfs/dbraw/zinc/35/62/77/922356277.db2.gz MFHAOBCCXAGZOE-CYBMUJFWSA-N 0 3 280.328 1.895 20 5 CDBDHN Cc1cccn2c(CN[C@H]3CC[C@@H](C[N+](=O)[O-])C3)nnc12 ZINC001168964789 927586579 /nfs/dbraw/zinc/58/65/79/927586579.db2.gz WGBVVWRWFQYYQU-NEPJUHHUSA-N 0 3 289.339 1.573 20 5 CDBDHN NCc1cnnn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001169311865 927918913 /nfs/dbraw/zinc/91/89/13/927918913.db2.gz GTUDIXADZPLIKE-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN COc1cnc(N2C[C@H]3[C@H](C2)CCCN3C)c([N+](=O)[O-])c1 ZINC001157266478 929410641 /nfs/dbraw/zinc/41/06/41/929410641.db2.gz SXJNPVLVEUSCOF-GWCFXTLKSA-N 0 3 292.339 1.529 20 5 CDBDHN COc1cccn2ncc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC001123041822 936107281 /nfs/dbraw/zinc/10/72/81/936107281.db2.gz GKSOKYGAIGUFDM-MRVPVSSYSA-N 0 3 279.252 1.165 20 5 CDBDHN Cc1ccnc(N2C[C@H]3[C@H](C2)CCCN3C)c1[N+](=O)[O-] ZINC001157259689 938470558 /nfs/dbraw/zinc/47/05/58/938470558.db2.gz FJPFYHBNHUGPHO-RYUDHWBXSA-N 0 3 276.340 1.829 20 5 CDBDHN CC(C)Oc1nc(-n2ccc([C@@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001158354815 938613518 /nfs/dbraw/zinc/61/35/18/938613518.db2.gz CTKASWVQBOEPBR-SECBINFHSA-N 0 3 291.311 1.982 20 5 CDBDHN CCN1CCCN(c2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001163774677 939328200 /nfs/dbraw/zinc/32/82/00/939328200.db2.gz PAOQPVLQJNYAAH-UHFFFAOYSA-N 0 3 280.328 1.530 20 5 CDBDHN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])nc2)C1 ZINC001226712175 942054360 /nfs/dbraw/zinc/05/43/60/942054360.db2.gz IZIDFRWRVYMESI-LLVKDONJSA-N 0 3 267.285 1.089 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1ccccc1-c1nnn[n-]1 ZINC001229955349 942558585 /nfs/dbraw/zinc/55/85/85/942558585.db2.gz VBEUSTVIHNQHLC-JTQLQIEISA-N 0 3 262.337 1.340 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1ccccc1-c1nn[n-]n1 ZINC001229955349 942558588 /nfs/dbraw/zinc/55/85/88/942558588.db2.gz VBEUSTVIHNQHLC-JTQLQIEISA-N 0 3 262.337 1.340 20 5 CDBDHN COC(=O)c1cnc(OC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001233859271 943674300 /nfs/dbraw/zinc/67/43/00/943674300.db2.gz KWHDHNVHWUBOGT-UHFFFAOYSA-N 0 3 295.295 1.249 20 5 CDBDHN CCN1CC[C@@H](Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)C1 ZINC001234050922 943727271 /nfs/dbraw/zinc/72/72/71/943727271.db2.gz MYGCRHULANJNME-LLVKDONJSA-N 0 3 294.307 1.854 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NC[C@@H](O)C(F)(F)F)C2 ZINC001254579112 947537429 /nfs/dbraw/zinc/53/74/29/947537429.db2.gz PRYNXRFWKTUPJT-MWLCHTKSSA-N 0 3 290.241 1.575 20 5 CDBDHN Cc1nc(N(C)CCN2CCCCC2)ncc1[N+](=O)[O-] ZINC001326765406 954534943 /nfs/dbraw/zinc/53/49/43/954534943.db2.gz QSDCOCZHQXQLSA-UHFFFAOYSA-N 0 3 279.344 1.615 20 5 CDBDHN C[C@H]1[C@@H](O)CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308065462 956466696 /nfs/dbraw/zinc/46/66/96/956466696.db2.gz ALFKLWKJXXPLHK-LEWSCRJBSA-N 0 3 280.324 1.473 20 5 CDBDHN CN1CC[C@@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590582738 342576755 /nfs/dbraw/zinc/57/67/55/342576755.db2.gz TYZWMFVMRCRQLG-MWLCHTKSSA-N 0 3 277.328 1.102 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000117202930 342621739 /nfs/dbraw/zinc/62/17/39/342621739.db2.gz QNXXGNKEFSLXCK-GJZGRUSLSA-N 0 3 291.351 1.630 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](O)C1 ZINC000591473437 342634454 /nfs/dbraw/zinc/63/44/54/342634454.db2.gz XGWLKXBWOGYQLU-BJHJDKERSA-N 0 3 250.298 1.798 20 5 CDBDHN Cc1c(C(=O)N2CCN[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000592244434 342681052 /nfs/dbraw/zinc/68/10/52/342681052.db2.gz BZZJVWCIICKQGL-CYBMUJFWSA-N 0 3 291.351 1.973 20 5 CDBDHN C[C@H](N[C@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593719406 342828769 /nfs/dbraw/zinc/82/87/69/342828769.db2.gz XMYVEEWEYRXGQC-ONGXEEELSA-N 0 3 256.277 1.966 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](OC3CCC3)C2)c1 ZINC000594026118 342867368 /nfs/dbraw/zinc/86/73/68/342867368.db2.gz CYJJSBBFZDWMTF-AWEZNQCLSA-N 0 3 294.355 1.825 20 5 CDBDHN Cc1noc(CN2CC[C@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000595310505 343032750 /nfs/dbraw/zinc/03/27/50/343032750.db2.gz CYUOAGQWMKCHSD-LBPRGKRZSA-N 0 3 294.355 1.951 20 5 CDBDHN O=c1[n-]ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000596082407 343220339 /nfs/dbraw/zinc/22/03/39/343220339.db2.gz JTKBBPQOGXRBRT-UWVGGRQHSA-N 0 3 278.312 1.734 20 5 CDBDHN O=c1[n-]ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000596082407 343220340 /nfs/dbraw/zinc/22/03/40/343220340.db2.gz JTKBBPQOGXRBRT-UWVGGRQHSA-N 0 3 278.312 1.734 20 5 CDBDHN Nc1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)nc1[N+](=O)[O-] ZINC000596298616 343291669 /nfs/dbraw/zinc/29/16/69/343291669.db2.gz YXEIUGGHOIVMCL-NEPJUHHUSA-N 0 3 291.355 1.423 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CCCCC1 ZINC000144461987 342435558 /nfs/dbraw/zinc/43/55/58/342435558.db2.gz PNSAIBQUIFIICC-UHFFFAOYSA-N 0 3 280.328 1.149 20 5 CDBDHN Cc1ccc(CN(C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000597256269 343500484 /nfs/dbraw/zinc/50/04/84/343500484.db2.gz URAQMPKKWTZNOE-UHFFFAOYSA-N 0 3 250.298 1.860 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCN2CC[C@H](O)C2)c(Cl)c1 ZINC000599019579 343940655 /nfs/dbraw/zinc/94/06/55/343940655.db2.gz RWJZSHUWCWDOSJ-LBPRGKRZSA-N 0 3 299.758 1.404 20 5 CDBDHN COc1ccc(CN[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000052013335 362273600 /nfs/dbraw/zinc/27/36/00/362273600.db2.gz ZSKVDGXBGIXIIR-DGCLKSJQSA-N 0 3 280.324 1.997 20 5 CDBDHN CSCCCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602824315 344611000 /nfs/dbraw/zinc/61/10/00/344611000.db2.gz HYQDNOIMGMUTHF-UHFFFAOYSA-N 0 3 272.374 1.785 20 5 CDBDHN CO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602826864 344612367 /nfs/dbraw/zinc/61/23/67/344612367.db2.gz OHWIZTPOCXUMAY-PWSUYJOCSA-N 0 3 282.344 1.599 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2C[C@H]2C1 ZINC000602901700 344655025 /nfs/dbraw/zinc/65/50/25/344655025.db2.gz DDABEXYRINBGLS-QWRGUYRKSA-N 0 3 250.302 1.442 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609664493 345987954 /nfs/dbraw/zinc/98/79/54/345987954.db2.gz KGGIDIJANHJJOP-NSHDSACASA-N 0 3 294.355 1.347 20 5 CDBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000609876905 346030327 /nfs/dbraw/zinc/03/03/27/346030327.db2.gz IABXGYVXRNVBKL-SNVBAGLBSA-N 0 3 280.328 1.527 20 5 CDBDHN Cc1ccncc1[C@@H](C)NCCn1cc([N+](=O)[O-])cn1 ZINC000611337038 346751167 /nfs/dbraw/zinc/75/11/67/346751167.db2.gz WTGOEEKBIZPELH-LLVKDONJSA-N 0 3 275.312 1.846 20 5 CDBDHN O=[N+]([O-])c1cccc(CN(CCO)CC2CC2)c1 ZINC000064516070 348942661 /nfs/dbraw/zinc/94/26/61/348942661.db2.gz OUGKINPCFDSENI-UHFFFAOYSA-N 0 3 250.298 1.799 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000068341710 349061616 /nfs/dbraw/zinc/06/16/16/349061616.db2.gz PHPGMEYPFXXHNO-NSHDSACASA-N 0 3 277.324 1.761 20 5 CDBDHN COc1ccc(CNCCn2cc(C)cn2)cc1[N+](=O)[O-] ZINC000105881916 186082794 /nfs/dbraw/zinc/08/27/94/186082794.db2.gz BHYTVGTYASPMRX-UHFFFAOYSA-N 0 3 290.323 1.898 20 5 CDBDHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000105932790 186092671 /nfs/dbraw/zinc/09/26/71/186092671.db2.gz AZWTWHZOYLNBIL-BXUZGUMPSA-N 0 3 279.340 1.576 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@H](N2CCCCC2)C1 ZINC000408100489 282775019 /nfs/dbraw/zinc/77/50/19/282775019.db2.gz SIPFVLXFCQBBEX-NSHDSACASA-N 0 3 279.344 1.393 20 5 CDBDHN CN1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000122187932 187019570 /nfs/dbraw/zinc/01/95/70/187019570.db2.gz DIIBMNQWSDMKLX-UHFFFAOYSA-N 0 3 292.339 1.171 20 5 CDBDHN CN1CC[C@]2(CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292102178 198163245 /nfs/dbraw/zinc/16/32/45/198163245.db2.gz GFEQTZZFVHOYCZ-HNNXBMFYSA-N 0 3 289.335 1.763 20 5 CDBDHN C[C@@](O)(CNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000336699201 356234684 /nfs/dbraw/zinc/23/46/84/356234684.db2.gz JHZYZKCVPJLXSR-LLVKDONJSA-N 0 3 256.327 1.907 20 5 CDBDHN O=C(CNC1CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000238154359 356800185 /nfs/dbraw/zinc/80/01/85/356800185.db2.gz JQPCRFVMUAKSTK-UHFFFAOYSA-N 0 3 289.335 1.838 20 5 CDBDHN COCCN(C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000084726521 357131268 /nfs/dbraw/zinc/13/12/68/357131268.db2.gz CSOLQCASIKZUOI-UHFFFAOYSA-N 0 3 267.329 1.893 20 5 CDBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CC1 ZINC000283597920 357574025 /nfs/dbraw/zinc/57/40/25/357574025.db2.gz YBIJUYPGEXVRHS-UHFFFAOYSA-N 0 3 296.302 1.140 20 5 CDBDHN CS[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000286622612 357589175 /nfs/dbraw/zinc/58/91/75/357589175.db2.gz VZCGWOINHDMVON-QWHCGFSZSA-N 0 3 296.396 1.659 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCCC3(CC3)C2)n1 ZINC000187005667 357717677 /nfs/dbraw/zinc/71/76/77/357717677.db2.gz GVFMJKKXVAVYEQ-UHFFFAOYSA-N 0 3 250.302 1.667 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186780585 357688531 /nfs/dbraw/zinc/68/85/31/357688531.db2.gz LQYCHYSVMQACDI-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610708857 357829168 /nfs/dbraw/zinc/82/91/68/357829168.db2.gz WPMKECKTHMVHAH-QPUJVOFHSA-N 0 3 278.312 1.135 20 5 CDBDHN CC(C)[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262320357 357868889 /nfs/dbraw/zinc/86/88/89/357868889.db2.gz QHBIZRINJHUOCO-JTQLQIEISA-N 0 3 277.284 1.393 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000408099813 358008360 /nfs/dbraw/zinc/00/83/60/358008360.db2.gz NMOVOYXIPORYAO-LLVKDONJSA-N 0 3 292.339 1.623 20 5 CDBDHN COCCCN(CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000189898320 358044614 /nfs/dbraw/zinc/04/46/14/358044614.db2.gz VVSURYMODMWFML-UHFFFAOYSA-N 0 3 282.340 1.468 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CC=CC3)C2)c1 ZINC000193456205 358294852 /nfs/dbraw/zinc/29/48/52/358294852.db2.gz MBPNNPMYBWZNNK-LBPRGKRZSA-N 0 3 274.324 1.628 20 5 CDBDHN CCN(CCn1ccc([N+](=O)[O-])n1)C[C@H](C)OC ZINC000291154850 358887543 /nfs/dbraw/zinc/88/75/43/358887543.db2.gz FBXLNRPDPKWCBI-JTQLQIEISA-N 0 3 256.306 1.148 20 5 CDBDHN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N(C)C ZINC000134222031 358961980 /nfs/dbraw/zinc/96/19/80/358961980.db2.gz KMVNUHWFAUWOCK-VIFPVBQESA-N 0 3 292.339 1.842 20 5 CDBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351756691 358962365 /nfs/dbraw/zinc/96/23/65/358962365.db2.gz LLQLJMKJVBVCJF-ZWNOBZJWSA-N 0 3 250.298 1.450 20 5 CDBDHN CCCNC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000044351495 359087800 /nfs/dbraw/zinc/08/78/00/359087800.db2.gz DFFIRSZJZABMCY-UHFFFAOYSA-N 0 3 265.313 1.601 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NCCN1CCCC1 ZINC000054128534 359158798 /nfs/dbraw/zinc/15/87/98/359158798.db2.gz HCIHHHIVGLJRNH-UHFFFAOYSA-N 0 3 250.302 1.806 20 5 CDBDHN O=[N+]([O-])c1cnc(NCCCN2CCCC2)s1 ZINC000226772539 359734314 /nfs/dbraw/zinc/73/43/14/359734314.db2.gz GCCJIDHKRYPBJL-UHFFFAOYSA-N 0 3 256.331 1.949 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177129749 189030907 /nfs/dbraw/zinc/03/09/07/189030907.db2.gz QIGDRIZSVOSRCW-ZYHUDNBSSA-N 0 3 289.335 1.950 20 5 CDBDHN Cc1c(NC(=O)N[C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000348091268 360376315 /nfs/dbraw/zinc/37/63/15/360376315.db2.gz YSNGZQXGELGJJI-SECBINFHSA-N 0 3 280.328 1.975 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298849649 200547967 /nfs/dbraw/zinc/54/79/67/200547967.db2.gz CBSQZMBOGJOZMK-VIFPVBQESA-N 0 3 266.301 1.137 20 5 CDBDHN COC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000181561654 189300712 /nfs/dbraw/zinc/30/07/12/189300712.db2.gz RROACPDIXHCFES-GFCCVEGCSA-N 0 3 293.323 1.208 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CO)c2ccccc2)n1 ZINC000183636736 189364721 /nfs/dbraw/zinc/36/47/21/189364721.db2.gz CVTZGCANWSCAMP-LBPRGKRZSA-N 0 3 276.296 1.115 20 5 CDBDHN CN(CC[C@@H]1CCNC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000562479211 361501393 /nfs/dbraw/zinc/50/13/93/361501393.db2.gz WCZUDTODQNXKQX-NSHDSACASA-N 0 3 277.324 1.553 20 5 CDBDHN CN1CCC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000344599321 365516967 /nfs/dbraw/zinc/51/69/67/365516967.db2.gz DSMNZNUNTGQCSR-LLPBQKLSSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000122819278 367807896 /nfs/dbraw/zinc/80/78/96/367807896.db2.gz JJLMCEOMDHUEBG-QWRGUYRKSA-N 0 3 252.318 1.769 20 5 CDBDHN Cc1ccnc(N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420639615 244305470 /nfs/dbraw/zinc/30/54/70/244305470.db2.gz SCVCIELCKCNXDN-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])c(N)c1F ZINC000420641647 244307456 /nfs/dbraw/zinc/30/74/56/244307456.db2.gz UVSTXYNBFFTSBD-VIFPVBQESA-N 0 3 282.319 1.847 20 5 CDBDHN Cc1cccc(C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000001627734 370117938 /nfs/dbraw/zinc/11/79/38/370117938.db2.gz CXBLTQHULDRRET-UHFFFAOYSA-N 0 3 251.286 1.195 20 5 CDBDHN Cc1nn(C)c(N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000301277592 373324344 /nfs/dbraw/zinc/32/43/44/373324344.db2.gz SGMOHZSDXKPSSA-GFCCVEGCSA-N 0 3 293.371 1.701 20 5 CDBDHN CNCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846065 246139438 /nfs/dbraw/zinc/13/94/38/246139438.db2.gz NLYAEVYZCXDSQR-UHFFFAOYSA-N 0 3 257.677 1.084 20 5 CDBDHN Cc1ccc(CN2CC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000377846529 374621292 /nfs/dbraw/zinc/62/12/92/374621292.db2.gz CRIJUXKKPQVIJP-GFCCVEGCSA-N 0 3 277.324 1.601 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccccc2F)c1 ZINC000037880485 374781839 /nfs/dbraw/zinc/78/18/39/374781839.db2.gz NLBVOOPCQWEKNA-GFCCVEGCSA-N 0 3 294.286 1.081 20 5 CDBDHN CO[C@@]1(C)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000279398678 374897009 /nfs/dbraw/zinc/89/70/09/374897009.db2.gz UWIIAVUTDOELTD-LBPRGKRZSA-N 0 3 268.317 1.292 20 5 CDBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000331418600 374950474 /nfs/dbraw/zinc/95/04/74/374950474.db2.gz QYRIWNBUPMAOGM-SNVBAGLBSA-N 0 3 292.339 1.670 20 5 CDBDHN Cc1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000280198949 374986107 /nfs/dbraw/zinc/98/61/07/374986107.db2.gz HVUCNSHQCYIDMM-CQSZACIVSA-N 0 3 277.324 1.601 20 5 CDBDHN CCN(CC)CCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000097058032 375140600 /nfs/dbraw/zinc/14/06/00/375140600.db2.gz ZGUSQLBDHOWPEH-UHFFFAOYSA-N 0 3 253.302 1.407 20 5 CDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000073988603 376749647 /nfs/dbraw/zinc/74/96/47/376749647.db2.gz SMNSFAPGUYASJF-WDEREUQCSA-N 0 3 295.364 1.965 20 5 CDBDHN Cc1ccc(C(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000457209764 252478733 /nfs/dbraw/zinc/47/87/33/252478733.db2.gz CLUIIMYZWNDLKQ-UHFFFAOYSA-N 0 3 279.340 1.973 20 5 CDBDHN CNC(=O)C[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574926503 378782096 /nfs/dbraw/zinc/78/20/96/378782096.db2.gz FHZKATHEMDWWCW-CABZTGNLSA-N 0 3 277.324 1.696 20 5 CDBDHN CCOC[C@@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447538394 250384099 /nfs/dbraw/zinc/38/40/99/250384099.db2.gz BXISFNQHQXYXFI-ZFWWWQNUSA-N 0 3 294.351 1.959 20 5 CDBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000266940277 190292257 /nfs/dbraw/zinc/29/22/57/190292257.db2.gz PRKXKWVJMFOCCQ-QWRGUYRKSA-N 0 3 252.318 1.912 20 5 CDBDHN O=[N+]([O-])c1ccc(NCCN2CCCCC2)nc1 ZINC000042295467 379560620 /nfs/dbraw/zinc/56/06/20/379560620.db2.gz BIMKKRULOFEHRU-UHFFFAOYSA-N 0 3 250.302 1.888 20 5 CDBDHN CC1(C)[C@@H]2CN(CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000174875924 379601836 /nfs/dbraw/zinc/60/18/36/379601836.db2.gz FRRFMPMMOHJKLR-PHIMTYICSA-N 0 3 250.302 1.379 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000267421276 190329081 /nfs/dbraw/zinc/32/90/81/190329081.db2.gz KMIRGKNGJXXIAS-NSHDSACASA-N 0 3 290.327 1.394 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268294138 190393718 /nfs/dbraw/zinc/39/37/18/190393718.db2.gz ZXTAGFUTIVEWGF-KWQFWETISA-N 0 3 278.312 1.135 20 5 CDBDHN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN(C2CC2)C1 ZINC000452574209 252099241 /nfs/dbraw/zinc/09/92/41/252099241.db2.gz VCUXNCLHXONYJV-JTQLQIEISA-N 0 3 292.339 1.479 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC1CCN([C@H]2CCOC2)CC1 ZINC000301724070 285166911 /nfs/dbraw/zinc/16/69/11/285166911.db2.gz OPPIJFQWGIZNTA-LBPRGKRZSA-N 0 3 292.339 1.655 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCN(C3CCCC3)CC2)nc1 ZINC000273225969 285174500 /nfs/dbraw/zinc/17/45/00/285174500.db2.gz WBJQZZWKZFXUAK-UHFFFAOYSA-N 0 3 277.328 1.449 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)C ZINC000281302828 195188581 /nfs/dbraw/zinc/18/85/81/195188581.db2.gz DGECAFVWBNMJIX-UHFFFAOYSA-N 0 3 296.327 1.677 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2cccnc2[N+](=O)[O-])CCN1C ZINC000134782778 390213805 /nfs/dbraw/zinc/21/38/05/390213805.db2.gz YCTSSFVDQLXFKH-ZJUUUORDSA-N 0 3 250.302 1.884 20 5 CDBDHN CO[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000451545735 390630394 /nfs/dbraw/zinc/63/03/94/390630394.db2.gz AFZKNVVABYXVFT-GFCCVEGCSA-N 0 3 282.344 1.538 20 5 CDBDHN CC(C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000049281809 390681360 /nfs/dbraw/zinc/68/13/60/390681360.db2.gz WWULAQZSTNGQLN-JTQLQIEISA-N 0 3 250.302 1.884 20 5 CDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000294905025 391160860 /nfs/dbraw/zinc/16/08/60/391160860.db2.gz IPSGAAXPGWYBHE-SNVBAGLBSA-N 0 3 277.328 1.305 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC2(CO)CCC2)cc1 ZINC000184364763 391973936 /nfs/dbraw/zinc/97/39/36/391973936.db2.gz BOYVKSHAXBXHSW-UHFFFAOYSA-N 0 3 250.298 1.847 20 5 CDBDHN COc1ccc(NC(=O)CNCC2CC2)cc1[N+](=O)[O-] ZINC000136477550 139893601 /nfs/dbraw/zinc/89/36/01/139893601.db2.gz RBBXITNWOXXFKF-UHFFFAOYSA-N 0 3 279.296 1.542 20 5 CDBDHN CN1CC[C@H](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000187651622 140081212 /nfs/dbraw/zinc/08/12/12/140081212.db2.gz QLKQRWMIHGCOTL-VIFPVBQESA-N 0 3 289.291 1.143 20 5 CDBDHN O=[N+]([O-])c1ccccc1NC[C@@H](O)CN1CCCCC1 ZINC000048559770 296515592 /nfs/dbraw/zinc/51/55/92/296515592.db2.gz ZHBCTHVKBDYSBK-GFCCVEGCSA-N 0 3 279.340 1.854 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)C1CCOCC1 ZINC000350392104 154373232 /nfs/dbraw/zinc/37/32/32/154373232.db2.gz NQGLTXZMVNTOGZ-OAHLLOKOSA-N 0 3 294.351 1.780 20 5 CDBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000352230834 155042972 /nfs/dbraw/zinc/04/29/72/155042972.db2.gz MJALNKOJBBQIPR-LLVKDONJSA-N 0 3 298.339 1.685 20 5 CDBDHN CCN(CC)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355607547 157143551 /nfs/dbraw/zinc/14/35/51/157143551.db2.gz MYKBKRVGNVVNEL-UHFFFAOYSA-N 0 3 296.323 1.988 20 5 CDBDHN CCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356093586 157352613 /nfs/dbraw/zinc/35/26/13/157352613.db2.gz PWEHTSOSGYFUTM-UHFFFAOYSA-N 0 3 281.312 1.285 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358040090 157859773 /nfs/dbraw/zinc/85/97/73/157859773.db2.gz BNECENHJVSOYRZ-LNSITVRQSA-N 0 3 294.351 1.951 20 5 CDBDHN CN1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000020496742 171227271 /nfs/dbraw/zinc/22/72/71/171227271.db2.gz NBBHHFXVPZWQLO-VOTSOKGWSA-N 0 3 289.335 1.772 20 5 CDBDHN C[C@H](NCCNC(=O)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285089312 196194278 /nfs/dbraw/zinc/19/42/78/196194278.db2.gz JXSBITDWLGENCC-VIFPVBQESA-N 0 3 292.339 1.354 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038060678 174071342 /nfs/dbraw/zinc/07/13/42/174071342.db2.gz SHMTVRIEENEFSZ-DGCLKSJQSA-N 0 3 280.324 1.969 20 5 CDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1 ZINC000040676237 174373743 /nfs/dbraw/zinc/37/37/43/174373743.db2.gz GLBCNPGVODQWEJ-CYBMUJFWSA-N 0 3 277.324 1.396 20 5 CDBDHN CC[C@@H](NC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270546 176104037 /nfs/dbraw/zinc/10/40/37/176104037.db2.gz VLCDRUIJLIRHQL-QWHCGFSZSA-N 0 3 268.313 1.643 20 5 CDBDHN COCCOCC(=O)N1c2ccc([N+](=O)[O-])cc2CC1C ZINC000071799864 176266233 /nfs/dbraw/zinc/26/62/33/176266233.db2.gz RBUDVCTWICXMFO-SNVBAGLBSA-N 0 3 294.307 1.535 20 5 CDBDHN C[C@@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000078543534 177352186 /nfs/dbraw/zinc/35/21/86/177352186.db2.gz XLLMNRXJDLYOAL-LBPRGKRZSA-N 0 3 278.356 1.643 20 5 CDBDHN CC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047773487 424429769 /nfs/dbraw/zinc/42/97/69/424429769.db2.gz KBMDXQSOHFFARP-UHFFFAOYSA-N 0 3 291.351 1.943 20 5 CDBDHN CC[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N(CC)CC ZINC000269118467 270314468 /nfs/dbraw/zinc/31/44/68/270314468.db2.gz QDIASTRWFZBIFG-GFCCVEGCSA-N 0 3 297.359 1.028 20 5 CDBDHN CO[C@@H]1CCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451632785 274063376 /nfs/dbraw/zinc/06/33/76/274063376.db2.gz PLCKRMZQSHDGNM-DGCLKSJQSA-N 0 3 293.323 1.690 20 5 CDBDHN COC[C@@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000280875401 277565163 /nfs/dbraw/zinc/56/51/63/277565163.db2.gz DCWFEWXRLYFVQM-RISCZKNCSA-N 0 3 280.324 1.569 20 5 CDBDHN C[C@@H](NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423513043 278352001 /nfs/dbraw/zinc/35/20/01/278352001.db2.gz BYFFCISWCBLYRP-MFKMUULPSA-N 0 3 265.313 1.234 20 5 CDBDHN CC(C)(CN1CCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000450947784 278611021 /nfs/dbraw/zinc/61/10/21/278611021.db2.gz CPAUXGCPEGQSGZ-UHFFFAOYSA-N 0 3 280.332 1.084 20 5 CDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000286330415 278901013 /nfs/dbraw/zinc/90/10/13/278901013.db2.gz LLBMKOZQLLNHQZ-GHMZBOCLSA-N 0 3 277.328 1.448 20 5 CDBDHN CCN(C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271802462 279030207 /nfs/dbraw/zinc/03/02/07/279030207.db2.gz PLAUWKLVDMKZCA-NSHDSACASA-N 0 3 294.355 1.907 20 5 CDBDHN C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CCN1C ZINC000090795117 280014692 /nfs/dbraw/zinc/01/46/92/280014692.db2.gz ZAUYEQCUJISKJM-VHSXEESVSA-N 0 3 250.302 1.884 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262826382 280050091 /nfs/dbraw/zinc/05/00/91/280050091.db2.gz UBXCPCZQTHICPH-NXEZZACHSA-N 0 3 263.297 1.417 20 5 CDBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245597934 280223272 /nfs/dbraw/zinc/22/32/72/280223272.db2.gz SVCGOLMPXGARML-QWRGUYRKSA-N 0 3 265.313 1.487 20 5 CDBDHN C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248861992 280388545 /nfs/dbraw/zinc/38/85/45/280388545.db2.gz ADVGSFHOMLWNFL-YPMHNXCESA-N 0 3 280.324 1.676 20 5 CDBDHN CN(C)C1(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000416293447 282029302 /nfs/dbraw/zinc/02/93/02/282029302.db2.gz VCKBVAWIAGVIPZ-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN COC[C@@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000382576245 323648844 /nfs/dbraw/zinc/64/88/44/323648844.db2.gz UFLINIYRMUHXBE-RISCZKNCSA-N 0 3 282.340 1.951 20 5 CDBDHN COC[C@@H](O)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000338479876 522417286 /nfs/dbraw/zinc/41/72/86/522417286.db2.gz YNXZAHNUPRSIPL-MUAYPFOZSA-N 0 3 280.324 1.595 20 5 CDBDHN C[C@H](Cn1ccnc1)NCc1cccc([N+](=O)[O-])c1 ZINC000035275178 524789825 /nfs/dbraw/zinc/78/98/25/524789825.db2.gz YGCKMHBSCDZDCE-LLVKDONJSA-N 0 3 260.297 1.970 20 5 CDBDHN C[C@H](NC[C@@H]1CC[C@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340411041 525394715 /nfs/dbraw/zinc/39/47/15/525394715.db2.gz CBASWHAWTSCVOH-LEWSCRJBSA-N 0 3 280.324 1.785 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC1(CO)CCOCC1 ZINC000069248909 527401021 /nfs/dbraw/zinc/40/10/21/527401021.db2.gz QUNBWJMONKXZQJ-UHFFFAOYSA-N 0 3 266.297 1.226 20 5 CDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCCC1 ZINC000050707962 527503427 /nfs/dbraw/zinc/50/34/27/527503427.db2.gz OVFJDHMKEWKGDO-UHFFFAOYSA-N 0 3 292.339 1.393 20 5 CDBDHN CC(C)[C@@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000733166448 575102733 /nfs/dbraw/zinc/10/27/33/575102733.db2.gz PVMHEGMBEKAHRU-CQSZACIVSA-N 0 3 293.367 1.840 20 5 CDBDHN CN1C[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893938224 618199597 /nfs/dbraw/zinc/19/95/97/618199597.db2.gz CIZJBCQRTWCXRB-LDYMZIIASA-N 0 3 282.731 1.784 20 5 CDBDHN O=[N+]([O-])CCNCCSCc1ccccc1F ZINC000905023203 626389525 /nfs/dbraw/zinc/38/95/25/626389525.db2.gz GAHBPNOGDDCLOF-UHFFFAOYSA-N 0 3 258.318 1.925 20 5 CDBDHN C[C@H](NCC[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000905133643 626647951 /nfs/dbraw/zinc/64/79/51/626647951.db2.gz QXSHEIHIBAHEEM-ZFWWWQNUSA-N 0 3 293.367 1.142 20 5 CDBDHN COc1cccc(C(C)(C)CNCC[N+](=O)[O-])c1 ZINC000905179652 626663485 /nfs/dbraw/zinc/66/34/85/626663485.db2.gz KYXADZBMANTYJO-UHFFFAOYSA-N 0 3 252.314 1.839 20 5 CDBDHN COc1ccccc1C1(CNCC[N+](=O)[O-])CCC1 ZINC000905212365 626694278 /nfs/dbraw/zinc/69/42/78/626694278.db2.gz KIIHHVCRPHXOSR-UHFFFAOYSA-N 0 3 264.325 1.983 20 5 CDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)n1cc([C@H](C)N)nn1 ZINC000881100278 679791425 /nfs/dbraw/zinc/79/14/25/679791425.db2.gz GBKNFPVQVXVVKF-DTWKUNHWSA-N 0 3 261.285 1.815 20 5 CDBDHN CCC[C@H](O)[C@H](CO)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131244 681531424 /nfs/dbraw/zinc/53/14/24/681531424.db2.gz PWSTVIVVTULOGP-ZFWWWQNUSA-N 0 3 296.367 1.823 20 5 CDBDHN CC(=O)Nc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105566 681976813 /nfs/dbraw/zinc/97/68/13/681976813.db2.gz OVXJLAKLVIBAJG-SECBINFHSA-N 0 3 280.280 1.396 20 5 CDBDHN CC(C)[C@@H](CO)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000092400219 681977619 /nfs/dbraw/zinc/97/76/19/681977619.db2.gz YZTQJXPEWIGSRN-LLVKDONJSA-N 0 3 256.277 1.840 20 5 CDBDHN CC[S@](=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848532132 682319174 /nfs/dbraw/zinc/31/91/74/682319174.db2.gz ZVLBZXCZAWVZFQ-BUXKBTBVSA-N 0 3 282.365 1.940 20 5 CDBDHN CC(C)N1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276947 682544594 /nfs/dbraw/zinc/54/45/94/682544594.db2.gz LYRRBBDQUBAFGL-OAHLLOKOSA-N 0 3 293.367 1.654 20 5 CDBDHN CC(COC(=O)c1cccc2c1O[C@H](C)C(=O)N2)[N+](=O)[O-] ZINC000813109023 682595650 /nfs/dbraw/zinc/59/56/50/682595650.db2.gz DMSYENBAUFXDLD-HTQZYQBOSA-N 0 3 294.263 1.228 20 5 CDBDHN Cc1cnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090824873 682700985 /nfs/dbraw/zinc/70/09/85/682700985.db2.gz KRBCUDIMASFGPW-VXGBXAGGSA-N 0 3 292.339 1.573 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](CO)C2)cc1 ZINC000776272271 683390604 /nfs/dbraw/zinc/39/06/04/683390604.db2.gz SJMHCOUJQDWWAP-BXUZGUMPSA-N 0 3 280.324 1.333 20 5 CDBDHN CCOCCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776606467 683646808 /nfs/dbraw/zinc/64/68/08/683646808.db2.gz WYVUOWGQPLRBJH-ZDUSSCGKSA-N 0 3 268.313 1.597 20 5 CDBDHN CC(COC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)[N+](=O)[O-] ZINC000813104739 683723034 /nfs/dbraw/zinc/72/30/34/683723034.db2.gz GQKRPJFXZMKGSF-GMSGAONNSA-N 0 3 296.254 1.460 20 5 CDBDHN C[C@@H](O)[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559233 683937317 /nfs/dbraw/zinc/93/73/17/683937317.db2.gz HJLYJFKJMJDNEM-LERXQTSPSA-N 0 3 280.324 1.473 20 5 CDBDHN COc1c(C(=O)OCC(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813102301 684072622 /nfs/dbraw/zinc/07/26/22/684072622.db2.gz DPQRPDXOKUFHDK-SSDOTTSWSA-N 0 3 284.224 1.425 20 5 CDBDHN CC[C@](N)(CO)N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315379 1162334459 /nfs/dbraw/zinc/33/44/59/1162334459.db2.gz XJDKDCGADAVDLH-QMTHXVAHSA-N 0 3 297.355 1.181 20 5 CDBDHN COc1cc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CNCCO2)cc1F ZINC001170567741 1162951000 /nfs/dbraw/zinc/95/10/00/1162951000.db2.gz LPNDZSIWTWLADF-SDBXPKJASA-N 0 3 299.302 1.531 20 5 CDBDHN COc1cc(N[C@@H](C)[C@@H]2CNCCO2)cc([N+](=O)[O-])c1C ZINC001170574872 1162984611 /nfs/dbraw/zinc/98/46/11/1162984611.db2.gz UNAKVRSWKMEQAC-HZMBPMFUSA-N 0 3 295.339 1.701 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@](C)(O)C1 ZINC001173221425 912306543 /nfs/dbraw/zinc/30/65/43/912306543.db2.gz IHOZSAHFMDOSII-SWLSCSKDSA-N 0 3 294.351 1.609 20 5 CDBDHN COc1ccnc(-n2nc(CN)c3ccccc32)c1[N+](=O)[O-] ZINC001167695050 898473005 /nfs/dbraw/zinc/47/30/05/898473005.db2.gz BUFOAYFNQZGZFX-UHFFFAOYSA-N 0 3 299.290 1.796 20 5 CDBDHN COc1cc(O[C@@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC001226582062 905357158 /nfs/dbraw/zinc/35/71/58/905357158.db2.gz VJFXCCCEQYIZAM-SNVBAGLBSA-N 0 3 281.312 1.860 20 5 CDBDHN O=C(CCC1CC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125020359 917877710 /nfs/dbraw/zinc/87/77/10/917877710.db2.gz WUIJLLLLYZEQLT-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN COC(=O)N(C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000689526338 936762087 /nfs/dbraw/zinc/76/20/87/936762087.db2.gz NLZOITDZPJZPEB-SNVBAGLBSA-N 0 3 281.312 1.944 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3ncccc3C2)C1 ZINC001169034532 927642309 /nfs/dbraw/zinc/64/23/09/927642309.db2.gz HKBXNNWRIFSLDO-YPMHNXCESA-N 0 3 261.325 1.885 20 5 CDBDHN CC(C)[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036994 927648079 /nfs/dbraw/zinc/64/80/79/927648079.db2.gz HUOAMXGRFNODOW-XQQFMLRXSA-N 0 3 256.346 1.789 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3cncnc3)CC2)C1 ZINC001169039829 927654247 /nfs/dbraw/zinc/65/42/47/927654247.db2.gz UKGUHUGGWIPFDY-STQMWFEESA-N 0 3 291.355 1.044 20 5 CDBDHN NCc1cnnn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001169309840 927945779 /nfs/dbraw/zinc/94/57/79/927945779.db2.gz LJQYTBOOQOXCHZ-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2[C@H](C1)CCCN2C ZINC001157270875 938473567 /nfs/dbraw/zinc/47/35/67/938473567.db2.gz GMGTXMJVSDVRJC-AAEUAGOBSA-N 0 3 292.339 1.067 20 5 CDBDHN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159488339 938731715 /nfs/dbraw/zinc/73/17/15/938731715.db2.gz CIUMYIWSUTWJNP-GMSGAONNSA-N 0 3 286.719 1.432 20 5 CDBDHN COc1nc(Nc2ccc(CN)nc2)ccc1[N+](=O)[O-] ZINC001160396181 938783911 /nfs/dbraw/zinc/78/39/11/938783911.db2.gz DLIBARFRDPRCRZ-UHFFFAOYSA-N 0 3 275.268 1.596 20 5 CDBDHN COc1c(F)cc(-n2nccc2CN)cc1[N+](=O)[O-] ZINC001162593324 939097132 /nfs/dbraw/zinc/09/71/32/939097132.db2.gz HQKSFDONKRGVKC-UHFFFAOYSA-N 0 3 266.232 1.387 20 5 CDBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])cc(C)c1F ZINC001163985822 939372476 /nfs/dbraw/zinc/37/24/76/939372476.db2.gz DMEGKDNMRRRDPY-UHFFFAOYSA-N 0 3 264.260 1.995 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(-n2cnc3c2CNCC3)n1 ZINC001164313853 939452408 /nfs/dbraw/zinc/45/24/08/939452408.db2.gz UULLVLOYMRSVMY-UHFFFAOYSA-N 0 3 273.296 1.438 20 5 CDBDHN Cc1c(C)c(-n2cnc3c2CNCC3)ncc1[N+](=O)[O-] ZINC001164314053 939452684 /nfs/dbraw/zinc/45/26/84/939452684.db2.gz ZNECAZYOIIQYTM-UHFFFAOYSA-N 0 3 273.296 1.438 20 5 CDBDHN O=[N+]([O-])c1cccc2nc(-n3ncc4c3CCNC4)ccc21 ZINC001165218334 939525820 /nfs/dbraw/zinc/52/58/20/939525820.db2.gz BLBGZUKCLSIJNV-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN CN1CC2(C1)CN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610183 947555032 /nfs/dbraw/zinc/55/50/32/947555032.db2.gz ICFRCACKPFQNAB-AWEZNQCLSA-N 0 3 273.336 1.309 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC2CC3)s1 ZINC001307230714 956383921 /nfs/dbraw/zinc/38/39/21/956383921.db2.gz VXIKNFIHKMPWFI-SECBINFHSA-N 0 3 268.342 1.805 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H]2OCCC[C@H]2C1 ZINC001331701080 957214599 /nfs/dbraw/zinc/21/45/99/957214599.db2.gz GHRODSAUQOICCH-AAEUAGOBSA-N 0 3 277.324 1.991 20 5 CDBDHN Cc1noc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)n1 ZINC001344446928 964312642 /nfs/dbraw/zinc/31/26/42/964312642.db2.gz FKHPSMCDWKMQBY-MRVPVSSYSA-N 0 3 291.263 1.867 20 5 CDBDHN CC[C@H](C)n1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC001344999216 964526176 /nfs/dbraw/zinc/52/61/76/964526176.db2.gz XENXXWHYLNJFDE-DTWKUNHWSA-N 0 3 255.274 1.676 20 5 CDBDHN CC[C@H](N)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000236930604 361800370 /nfs/dbraw/zinc/80/03/70/361800370.db2.gz SIRGTEACZWDVPK-RYUDHWBXSA-N 0 3 265.313 1.899 20 5 CDBDHN CNC(=O)c1ccc(N2C[C@H](C)NC[C@H]2C)c([N+](=O)[O-])c1 ZINC000127938369 290628715 /nfs/dbraw/zinc/62/87/15/290628715.db2.gz BRPPOEVCVUGLNT-VHSXEESVSA-N 0 3 292.339 1.141 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000593029636 342755247 /nfs/dbraw/zinc/75/52/47/342755247.db2.gz WTZDGOPZHGYCAC-LBPRGKRZSA-N 0 3 277.324 1.348 20 5 CDBDHN C[C@@H](CC[S@](C)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000125533065 187189465 /nfs/dbraw/zinc/18/94/65/187189465.db2.gz ACLVHKNKBCKLRA-XTZNXHDOSA-N 0 3 270.354 1.842 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000595876229 343178172 /nfs/dbraw/zinc/17/81/72/343178172.db2.gz RCFAWCDEWVPLTR-DOMZBBRYSA-N 0 3 294.351 1.924 20 5 CDBDHN CC[NH+](CC)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596141134 343241820 /nfs/dbraw/zinc/24/18/20/343241820.db2.gz GPSRJHLHAPIWHH-JTQLQIEISA-N 0 3 280.328 1.616 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCN1 ZINC000598570790 343832301 /nfs/dbraw/zinc/83/23/01/343832301.db2.gz AKHPNVMESUIBRS-VIFPVBQESA-N 0 3 283.353 1.726 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H](CO)C(C)(C)C ZINC000269669193 529939802 /nfs/dbraw/zinc/93/98/02/529939802.db2.gz QWGDNGMJLYGGIX-LLVKDONJSA-N 0 3 270.333 1.130 20 5 CDBDHN CC(C)N1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602551353 344464835 /nfs/dbraw/zinc/46/48/35/344464835.db2.gz CHYOQRHIQGMLGP-ZDUSSCGKSA-N 0 3 291.351 1.736 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1[C@@H](C)O ZINC000602775614 344578161 /nfs/dbraw/zinc/57/81/61/344578161.db2.gz KIBCSMAJADFHHF-PWSUYJOCSA-N 0 3 282.344 1.335 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSCC[C@H]1C ZINC000602832256 344614319 /nfs/dbraw/zinc/61/43/19/344614319.db2.gz WFHQWXLNCGLXAN-SNVBAGLBSA-N 0 3 284.385 1.927 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CSCCN2)cc1 ZINC000603421115 344800171 /nfs/dbraw/zinc/80/01/71/344800171.db2.gz XSLCPEPZYYJGFN-JTQLQIEISA-N 0 3 253.327 1.712 20 5 CDBDHN CN1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@H]21 ZINC000249282838 362631980 /nfs/dbraw/zinc/63/19/80/362631980.db2.gz NHCKMWPNOUVQQO-NXEZZACHSA-N 0 3 282.369 1.972 20 5 CDBDHN CCO[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000610447908 346284440 /nfs/dbraw/zinc/28/44/40/346284440.db2.gz LVHQJGHAFRLPEB-LBPRGKRZSA-N 0 3 268.317 1.292 20 5 CDBDHN CN(CCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000058858363 348871960 /nfs/dbraw/zinc/87/19/60/348871960.db2.gz DEIGGIFEHBPJKO-UHFFFAOYSA-N 0 3 292.339 1.217 20 5 CDBDHN CN1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000060859463 348898787 /nfs/dbraw/zinc/89/87/87/348898787.db2.gz BMCRLIBTGMOQQD-UHFFFAOYSA-N 0 3 269.326 1.480 20 5 CDBDHN CCCCCN(CCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090548991 180001695 /nfs/dbraw/zinc/00/16/95/180001695.db2.gz XNFOMKOZKRSPHY-UHFFFAOYSA-N 0 3 297.355 1.241 20 5 CDBDHN COC[C@H](O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090950126 180072060 /nfs/dbraw/zinc/07/20/60/180072060.db2.gz IJPVSBLEQBAVIZ-NWDGAFQWSA-N 0 3 282.340 1.951 20 5 CDBDHN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CCCC2)C1 ZINC000364128325 362958488 /nfs/dbraw/zinc/95/84/88/362958488.db2.gz DPBFCFOCWLWWGK-GFCCVEGCSA-N 0 3 289.335 1.905 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCn1cccn1 ZINC000111280969 186387619 /nfs/dbraw/zinc/38/76/19/186387619.db2.gz IRTQIRGSUJTNFD-UHFFFAOYSA-N 0 3 290.323 1.802 20 5 CDBDHN CC(C)N(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151853549 187982872 /nfs/dbraw/zinc/98/28/72/187982872.db2.gz AKJBAUDHQAZBFG-UHFFFAOYSA-N 0 3 293.367 1.936 20 5 CDBDHN C[C@@H](CN1CCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000036932576 363293275 /nfs/dbraw/zinc/29/32/75/363293275.db2.gz VMFWTEUTGUSKHX-LBPRGKRZSA-N 0 3 279.340 1.405 20 5 CDBDHN C[C@H]1C[C@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578194466 356264005 /nfs/dbraw/zinc/26/40/05/356264005.db2.gz LZIUSGLBZDPDPD-RYUDHWBXSA-N 0 3 276.340 1.768 20 5 CDBDHN Cc1ccc(CNCC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000336834672 356291155 /nfs/dbraw/zinc/29/11/55/356291155.db2.gz IMYMGRHWFOFBQP-UHFFFAOYSA-N 0 3 282.340 1.780 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCOCC2)cc1 ZINC000359875723 356429525 /nfs/dbraw/zinc/42/95/25/356429525.db2.gz NUSHPKJXQPJYDU-AWEZNQCLSA-N 0 3 280.324 1.472 20 5 CDBDHN CCN(C)CCNc1cccc(OC)c1[N+](=O)[O-] ZINC000134917241 356526763 /nfs/dbraw/zinc/52/67/63/356526763.db2.gz HYMDGRHCIGDPDU-UHFFFAOYSA-N 0 3 253.302 1.967 20 5 CDBDHN CC1(C)CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1 ZINC000175398025 356532073 /nfs/dbraw/zinc/53/20/73/356532073.db2.gz OMESGURQNJYFKD-UHFFFAOYSA-N 0 3 292.339 1.217 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000360087957 356722591 /nfs/dbraw/zinc/72/25/91/356722591.db2.gz ZFCAUONQWXCGQD-NSHDSACASA-N 0 3 294.355 1.347 20 5 CDBDHN COC[C@@](C)(O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000069911791 356832657 /nfs/dbraw/zinc/83/26/57/356832657.db2.gz LZFLKGKKFBGSDF-ZDUSSCGKSA-N 0 3 268.313 1.390 20 5 CDBDHN C[C@@H](CNc1c([N+](=O)[O-])ncn1C)N1CCC[C@@H](C)C1 ZINC000048559872 356905745 /nfs/dbraw/zinc/90/57/45/356905745.db2.gz BEGCHLDNZJIGMX-MNOVXSKESA-N 0 3 281.360 1.861 20 5 CDBDHN C[C@@H]1NCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1C ZINC000379469201 357122910 /nfs/dbraw/zinc/12/29/10/357122910.db2.gz NTHXUZSGUNWDLD-IUCAKERBSA-N 0 3 281.287 1.556 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000261548490 357220417 /nfs/dbraw/zinc/22/04/17/357220417.db2.gz BYBJJHRLYRUXBD-JGVFFNPUSA-N 0 3 270.720 1.830 20 5 CDBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000274531504 357271956 /nfs/dbraw/zinc/27/19/56/357271956.db2.gz UNCDZUAXYBHFLV-SNVBAGLBSA-N 0 3 295.343 1.229 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610708855 357828436 /nfs/dbraw/zinc/82/84/36/357828436.db2.gz WPMKECKTHMVHAH-PELKAZGASA-N 0 3 278.312 1.135 20 5 CDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287094971 358095395 /nfs/dbraw/zinc/09/53/95/358095395.db2.gz LCLQMWPWTPFCDK-CMPLNLGQSA-N 0 3 292.339 1.622 20 5 CDBDHN C[C@@H](NC[C@]1(O)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294780966 199180029 /nfs/dbraw/zinc/18/00/29/199180029.db2.gz NVDYXMFIOVEEMH-NOZJJQNGSA-N 0 3 297.380 1.696 20 5 CDBDHN CO[C@@H]1COCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000449450301 358807220 /nfs/dbraw/zinc/80/72/20/358807220.db2.gz BBNZVOXPVNEOEX-GXTWGEPZSA-N 0 3 280.324 1.736 20 5 CDBDHN CCN(C)C(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338359821 359118234 /nfs/dbraw/zinc/11/82/34/359118234.db2.gz ZQCCEYDNGWRCJX-UHFFFAOYSA-N 0 3 293.367 1.938 20 5 CDBDHN CN(CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000060941410 359828839 /nfs/dbraw/zinc/82/88/39/359828839.db2.gz SKLPUGCATCXKQI-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN COC[C@@]1(CO)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000451924605 360493285 /nfs/dbraw/zinc/49/32/85/360493285.db2.gz JGZCNHRYRRDVJD-HNNXBMFYSA-N 0 3 294.351 1.734 20 5 CDBDHN CCCCN(C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000112311200 360522261 /nfs/dbraw/zinc/52/22/61/360522261.db2.gz QAHPYIUNDCXALI-UHFFFAOYSA-N 0 3 297.359 1.030 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348157767 360532910 /nfs/dbraw/zinc/53/29/10/360532910.db2.gz QWAITQMZAUUNIM-VIFPVBQESA-N 0 3 266.301 1.666 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CCS(=O)(=O)C2)c1 ZINC000037982637 361286007 /nfs/dbraw/zinc/28/60/07/361286007.db2.gz FELFTCHLHWKKSF-LLVKDONJSA-N 0 3 284.337 1.119 20 5 CDBDHN C[C@@H](O)CCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135406217 361729383 /nfs/dbraw/zinc/72/93/83/361729383.db2.gz DLCLFBNZSRYRTA-LLVKDONJSA-N 0 3 252.314 1.840 20 5 CDBDHN C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N(C)C ZINC000037985589 363963277 /nfs/dbraw/zinc/96/32/77/363963277.db2.gz KSBXLAWILWNWMG-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N(C)C ZINC000272632156 367784492 /nfs/dbraw/zinc/78/44/92/367784492.db2.gz AMJVJTSUOAXMEI-MRVPVSSYSA-N 0 3 267.289 1.061 20 5 CDBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1=CCN(C)CC1 ZINC000272635281 367785593 /nfs/dbraw/zinc/78/55/93/367785593.db2.gz BVYUJJNYLJIFQO-VIFPVBQESA-N 0 3 279.296 1.568 20 5 CDBDHN Cc1ccc(CN(CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000275998554 193184512 /nfs/dbraw/zinc/18/45/12/193184512.db2.gz OLDDLHSPPVRHHM-UHFFFAOYSA-N 0 3 294.351 1.877 20 5 CDBDHN C[C@H]1OCC[C@@]1(O)CNCc1csc([N+](=O)[O-])c1 ZINC000227966897 189789487 /nfs/dbraw/zinc/78/94/87/189789487.db2.gz DYAVWEKQJKAHCV-LDYMZIIASA-N 0 3 272.326 1.286 20 5 CDBDHN C[C@H](NC(=O)[C@@H]1CCCCN1)c1cccc([N+](=O)[O-])c1 ZINC000037766489 370079211 /nfs/dbraw/zinc/07/92/11/370079211.db2.gz GUNQPFXWLKZFFD-GWCFXTLKSA-N 0 3 277.324 1.914 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N(C)C ZINC000298339811 373518118 /nfs/dbraw/zinc/51/81/18/373518118.db2.gz IIAIUJHCWUYDJA-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN C[C@H](O)CCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675456 373675111 /nfs/dbraw/zinc/67/51/11/373675111.db2.gz PBKWJDKAPVUJIS-GXFFZTMASA-N 0 3 268.313 1.331 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000543712586 374203832 /nfs/dbraw/zinc/20/38/32/374203832.db2.gz HEWUUHXKDHQNJK-SNVBAGLBSA-N 0 3 292.339 1.249 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN(CCn3cccn3)CC2)n1 ZINC000369692781 374361725 /nfs/dbraw/zinc/36/17/25/374361725.db2.gz KQANGNMHEOWFOD-UHFFFAOYSA-N 0 3 290.327 1.325 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@](O)(C3CC3)C2)c1 ZINC000370082826 374378013 /nfs/dbraw/zinc/37/80/13/374378013.db2.gz OMWQQPMDHGKUQT-CABCVRRESA-N 0 3 292.335 1.475 20 5 CDBDHN CC[C@H](NC[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480668 374384934 /nfs/dbraw/zinc/38/49/34/374384934.db2.gz PMKACEYROOLHFQ-GJZGRUSLSA-N 0 3 292.383 1.539 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000375695968 374507718 /nfs/dbraw/zinc/50/77/18/374507718.db2.gz GFNRLSJQHRXLEE-VXGBXAGGSA-N 0 3 292.339 1.452 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN(C)C ZINC000277592377 374795448 /nfs/dbraw/zinc/79/54/48/374795448.db2.gz NPTLCILNWLFKGE-UHFFFAOYSA-N 0 3 281.312 1.237 20 5 CDBDHN CCN1C[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330581131 374869366 /nfs/dbraw/zinc/86/93/66/374869366.db2.gz QMXSGWLQFOPAIF-NEPJUHHUSA-N 0 3 281.360 1.206 20 5 CDBDHN CN1CCC[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256225 374987405 /nfs/dbraw/zinc/98/74/05/374987405.db2.gz IOBHHBXFPNRQOV-NSHDSACASA-N 0 3 296.302 1.950 20 5 CDBDHN COc1ccc(CNCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000284115993 375129667 /nfs/dbraw/zinc/12/96/67/375129667.db2.gz SXQSQSLSZFUDAW-UHFFFAOYSA-N 0 3 280.324 1.998 20 5 CDBDHN C[C@@H](O)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000131266745 375208476 /nfs/dbraw/zinc/20/84/76/375208476.db2.gz BWMNYJHHULYJNV-SNVBAGLBSA-N 0 3 254.286 1.286 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCCOCCO)cc1 ZINC000227333432 375503346 /nfs/dbraw/zinc/50/33/46/375503346.db2.gz TZABGCSMTUNIHE-UHFFFAOYSA-N 0 3 254.286 1.083 20 5 CDBDHN Cn1c(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000352596653 375520366 /nfs/dbraw/zinc/52/03/66/375520366.db2.gz CBNPWURDMWNSIU-CMPLNLGQSA-N 0 3 292.339 1.100 20 5 CDBDHN CC(COC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496135912 375716391 /nfs/dbraw/zinc/71/63/91/375716391.db2.gz DYIFCPREXDMHCH-RKDXNWHRSA-N 0 3 288.300 1.204 20 5 CDBDHN CCN(C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000049320552 375937817 /nfs/dbraw/zinc/93/78/17/375937817.db2.gz SNRYRQJSAUNGDL-UHFFFAOYSA-N 0 3 269.330 1.668 20 5 CDBDHN C[C@H](NC[C@H](O)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000358043129 375948320 /nfs/dbraw/zinc/94/83/20/375948320.db2.gz HFHYJVBCZSGMBI-JKOKRWQUSA-N 0 3 280.324 1.643 20 5 CDBDHN CN(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264215775 190097003 /nfs/dbraw/zinc/09/70/03/190097003.db2.gz UGSWZLNNORIFEV-UHFFFAOYSA-N 0 3 291.307 1.716 20 5 CDBDHN COC[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000265819702 190210147 /nfs/dbraw/zinc/21/01/47/190210147.db2.gz RQNWSZXHRJFKBD-LBPRGKRZSA-N 0 3 280.324 1.942 20 5 CDBDHN C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCCN1C ZINC000345290856 377817009 /nfs/dbraw/zinc/81/70/09/377817009.db2.gz MHNSNNPACRSGAL-GXSJLCMTSA-N 0 3 292.339 1.390 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173722826 378989076 /nfs/dbraw/zinc/98/90/76/378989076.db2.gz HYEWVRRXTNKFGM-CYBMUJFWSA-N 0 3 277.324 1.348 20 5 CDBDHN O=CN1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000278830946 194174118 /nfs/dbraw/zinc/17/41/18/194174118.db2.gz TYERKUIADKDWEC-UHFFFAOYSA-N 0 3 263.297 1.305 20 5 CDBDHN COc1ccc(OCCN(C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000173826064 379321654 /nfs/dbraw/zinc/32/16/54/379321654.db2.gz GUYUUOSTTBNGLK-NSHDSACASA-N 0 3 298.339 1.685 20 5 CDBDHN CCc1ccc(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000174231478 379399041 /nfs/dbraw/zinc/39/90/41/379399041.db2.gz CDUBOXQQCXHENF-CYBMUJFWSA-N 0 3 291.351 1.981 20 5 CDBDHN CCO[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872475 379595924 /nfs/dbraw/zinc/59/59/24/379595924.db2.gz MBDKXEFOGFJODJ-STQMWFEESA-N 0 3 296.371 1.927 20 5 CDBDHN C[C@@H]1CCSCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000286036703 390188820 /nfs/dbraw/zinc/18/88/20/390188820.db2.gz IBXYADWFBHHLLO-SNVBAGLBSA-N 0 3 270.358 1.619 20 5 CDBDHN CO[C@@H]1[C@@H](C)[C@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451506824 390628076 /nfs/dbraw/zinc/62/80/76/390628076.db2.gz WCMRWGFNMVDWRE-INTQDDNPSA-N 0 3 282.344 1.477 20 5 CDBDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000337344551 390810153 /nfs/dbraw/zinc/81/01/53/390810153.db2.gz ZFAWZOAUZZTZPU-NSHDSACASA-N 0 3 264.329 1.910 20 5 CDBDHN CNc1c(C(=O)NCC2(N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000397754088 391633514 /nfs/dbraw/zinc/63/35/14/391633514.db2.gz FNVJRGRQSFVZSD-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN Cc1cccc(C(=O)NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000049096794 391641245 /nfs/dbraw/zinc/64/12/45/391641245.db2.gz URVHNENSGXYQNZ-LLVKDONJSA-N 0 3 277.324 1.727 20 5 CDBDHN CC1(C)CN[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591674967 391981474 /nfs/dbraw/zinc/98/14/74/391981474.db2.gz FOLWGRXRSOUKII-GFCCVEGCSA-N 0 3 275.308 1.482 20 5 CDBDHN CC(COC(=O)C1(NC(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000496896386 392608408 /nfs/dbraw/zinc/60/84/08/392608408.db2.gz YAIBETSYMXSQQG-MRVPVSSYSA-N 0 3 288.300 1.252 20 5 CDBDHN CC[C@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000425911303 393032158 /nfs/dbraw/zinc/03/21/58/393032158.db2.gz AKVFZNDZTDPTOE-ZDUSSCGKSA-N 0 3 250.298 1.942 20 5 CDBDHN CC[C@@]1(O)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000425924695 393032313 /nfs/dbraw/zinc/03/23/13/393032313.db2.gz VZAKYEIAQVTIQD-CQSZACIVSA-N 0 3 280.324 1.820 20 5 CDBDHN CN(CCN(C)C1CC1)c1ncccc1[N+](=O)[O-] ZINC000274426453 393111425 /nfs/dbraw/zinc/11/14/25/393111425.db2.gz DEGVKFAHLREMQI-UHFFFAOYSA-N 0 3 250.302 1.520 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000228100343 140191008 /nfs/dbraw/zinc/19/10/08/140191008.db2.gz GCMFZXXKVSYUAM-IACUBPJLSA-N 0 3 262.309 1.798 20 5 CDBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000361067510 397910744 /nfs/dbraw/zinc/91/07/44/397910744.db2.gz NSZXJZPRYKVGLL-JQWIXIFHSA-N 0 3 262.313 1.520 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343438826 152176754 /nfs/dbraw/zinc/17/67/54/152176754.db2.gz LUJNEIAQJSNQOJ-ZWNOBZJWSA-N 0 3 277.324 1.807 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000346129547 153063176 /nfs/dbraw/zinc/06/31/76/153063176.db2.gz GEUJXCKRPOYPRA-SECBINFHSA-N 0 3 251.286 1.275 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@@H](O)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358040091 157859606 /nfs/dbraw/zinc/85/96/06/157859606.db2.gz BNECENHJVSOYRZ-NJZAAPMLSA-N 0 3 294.351 1.951 20 5 CDBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000372352655 160110516 /nfs/dbraw/zinc/11/05/16/160110516.db2.gz ZOCBQNHQZGAEPN-UHFFFAOYSA-N 0 3 295.339 1.257 20 5 CDBDHN CO[C@H](C)CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550163 196323184 /nfs/dbraw/zinc/32/31/84/196323184.db2.gz GJKMUONQOMTPNW-YPMHNXCESA-N 0 3 298.339 1.301 20 5 CDBDHN O=C1NCCCC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676156 174373783 /nfs/dbraw/zinc/37/37/83/174373783.db2.gz CSPSPJQBVIVDKL-ZDUSSCGKSA-N 0 3 277.324 1.396 20 5 CDBDHN O=C1NCCCC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676155 174373868 /nfs/dbraw/zinc/37/38/68/174373868.db2.gz CSPSPJQBVIVDKL-CYBMUJFWSA-N 0 3 277.324 1.396 20 5 CDBDHN CCNC(=O)C(C)(C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000313080920 260245112 /nfs/dbraw/zinc/24/51/12/260245112.db2.gz YNTQIOLAPGGHQQ-UHFFFAOYSA-N 0 3 295.339 1.478 20 5 CDBDHN Cc1nc(N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000212756404 274841657 /nfs/dbraw/zinc/84/16/57/274841657.db2.gz NNSIDVVXQBSSQY-UHFFFAOYSA-N 0 3 250.302 1.486 20 5 CDBDHN CC(C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N(C)C ZINC000268492094 280171934 /nfs/dbraw/zinc/17/19/34/280171934.db2.gz MENHFMHGRZDOMJ-CQSZACIVSA-N 0 3 293.367 1.840 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CC(N)=O ZINC000551679788 290012239 /nfs/dbraw/zinc/01/22/39/290012239.db2.gz CANFISBQHBNVEA-ZJUUUORDSA-N 0 3 265.313 1.818 20 5 CDBDHN C[C@@H]1OCC[C@]1(O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486433 293794017 /nfs/dbraw/zinc/79/40/17/293794017.db2.gz JPRVGFHMFHOPTH-ZBINZKHDSA-N 0 3 292.335 1.712 20 5 CDBDHN CC[C@@H]1CN(C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000569421202 294192052 /nfs/dbraw/zinc/19/20/52/294192052.db2.gz ASRVUZNEILRFFT-CYBMUJFWSA-N 0 3 293.367 2.000 20 5 CDBDHN CN1CC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC000571144832 294376080 /nfs/dbraw/zinc/37/60/80/294376080.db2.gz AJDGMMFGNZWLJU-ZDUSSCGKSA-N 0 3 280.303 1.661 20 5 CDBDHN Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1nncc1CN ZINC001169311078 1162003603 /nfs/dbraw/zinc/00/36/03/1162003603.db2.gz AMDXVYAGQDHXQN-UHFFFAOYSA-N 0 3 291.311 1.730 20 5 CDBDHN CN(C)C(=O)CCCNCc1ccccc1[N+](=O)[O-] ZINC000050015675 523977956 /nfs/dbraw/zinc/97/79/56/523977956.db2.gz UBLVTPVAPTVPSY-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CCCCO3)CC2)n1 ZINC000365821905 527407657 /nfs/dbraw/zinc/40/76/57/527407657.db2.gz RPLPZVDJOUCEAR-ZDUSSCGKSA-N 0 3 294.355 1.997 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CCO)C3CC3)nc2c1 ZINC000769797858 575385517 /nfs/dbraw/zinc/38/55/17/575385517.db2.gz UJFYVRBZSOUMCP-NSHDSACASA-N 0 3 290.323 1.722 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(CCCO)C2CC2)c1 ZINC000750074568 576973604 /nfs/dbraw/zinc/97/36/04/576973604.db2.gz IHASMJBYMWUTJE-AWEZNQCLSA-N 0 3 280.324 1.475 20 5 CDBDHN O=[N+]([O-])c1c2nonc2ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000892000491 617399282 /nfs/dbraw/zinc/39/92/82/617399282.db2.gz QSMPYQKHXNJOLL-MRVPVSSYSA-N 0 3 289.295 1.780 20 5 CDBDHN CCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C1CC1 ZINC000893046468 618092052 /nfs/dbraw/zinc/09/20/52/618092052.db2.gz CHSFGDCERMRJEM-QMMMGPOBSA-N 0 3 267.285 1.602 20 5 CDBDHN Cc1cnc(N2[C@@H]3CC[C@H]2CCN(C)C3)c([N+](=O)[O-])c1 ZINC000895193023 619444756 /nfs/dbraw/zinc/44/47/56/619444756.db2.gz QPDXCPBUCXUMOJ-NWDGAFQWSA-N 0 3 276.340 1.971 20 5 CDBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000842801483 685780657 /nfs/dbraw/zinc/78/06/57/685780657.db2.gz IQVQJXTUTDVRDX-UWVGGRQHSA-N 0 3 289.328 1.809 20 5 CDBDHN CC[C@@H]1CN(C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195477 684463524 /nfs/dbraw/zinc/46/35/24/684463524.db2.gz ZDMSICVBPVAVSP-UKRRQHHQSA-N 0 3 293.367 1.654 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000852636501 685842274 /nfs/dbraw/zinc/84/22/74/685842274.db2.gz VXNAUDCHURBSFD-MPKXVKKWSA-N 0 3 262.309 1.970 20 5 CDBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000884822959 686335668 /nfs/dbraw/zinc/33/56/68/686335668.db2.gz JLCFFJQCXHFKGQ-UHFFFAOYSA-N 0 3 273.720 1.584 20 5 CDBDHN C[C@@H](NC/C=C\CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506823 686833920 /nfs/dbraw/zinc/83/39/20/686833920.db2.gz CGQGHSMSZGSHGI-PKRMOACSSA-N 0 3 251.286 1.376 20 5 CDBDHN C[C@H](NCCn1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641667 686893046 /nfs/dbraw/zinc/89/30/46/686893046.db2.gz KJPSEXWJUIIBIU-JTQLQIEISA-N 0 3 275.312 1.724 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](CF)C2)n1 ZINC000880235081 687151016 /nfs/dbraw/zinc/15/10/16/687151016.db2.gz YBQLVWRITDQNOT-SNVBAGLBSA-N 0 3 256.281 1.473 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCOC[C@H]2O)cc1Cl ZINC000862532559 687831891 /nfs/dbraw/zinc/83/18/91/687831891.db2.gz HZXRVMBNRATVPD-ZYHUDNBSSA-N 0 3 286.715 1.488 20 5 CDBDHN Cc1cc(CN)nn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156038514 1161984199 /nfs/dbraw/zinc/98/41/99/1161984199.db2.gz VXDIUMWQZLHCMS-UHFFFAOYSA-N 0 3 284.279 1.491 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H](O)C1 ZINC001173223364 912308999 /nfs/dbraw/zinc/30/89/99/912308999.db2.gz ZMHFIDZPOKGFJE-SMDDNHRTSA-N 0 3 280.324 1.219 20 5 CDBDHN NCc1nn(-c2ccc([N+](=O)[O-])cn2)c2ccccc12 ZINC001167693212 898352417 /nfs/dbraw/zinc/35/24/17/898352417.db2.gz CKIBXLVYDYBLIQ-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CCOCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124696535 917575105 /nfs/dbraw/zinc/57/51/05/917575105.db2.gz NKDABQMZNMLYFX-UHFFFAOYSA-N 0 3 295.339 1.227 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1-n1nc(CN)cc1C ZINC001163985371 924453792 /nfs/dbraw/zinc/45/37/92/924453792.db2.gz NXBUDPXCYTWXLS-UHFFFAOYSA-N 0 3 290.279 1.334 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ncnc3[nH]cc([N+](=O)[O-])c32)n1 ZINC001169230859 927838976 /nfs/dbraw/zinc/83/89/76/927838976.db2.gz WTHUJDJSJGMKBF-ZCFIWIBFSA-N 0 3 273.256 1.072 20 5 CDBDHN CC(COC(=O)CCCC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC001122974528 936095366 /nfs/dbraw/zinc/09/53/66/936095366.db2.gz CGWQZAWDQWXLTJ-VIFPVBQESA-N 0 3 275.301 1.707 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCCN1C ZINC001120971490 937850876 /nfs/dbraw/zinc/85/08/76/937850876.db2.gz AIGYAKVWTFQPQB-SECBINFHSA-N 0 3 253.306 1.225 20 5 CDBDHN COc1cc(N2C[C@H]3CCCN(C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157266649 938472532 /nfs/dbraw/zinc/47/25/32/938472532.db2.gz VRSGURSMRGHPQM-ZYHUDNBSSA-N 0 3 292.339 1.529 20 5 CDBDHN CC(C)N1CCN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001158495371 938630054 /nfs/dbraw/zinc/63/00/54/938630054.db2.gz NNGMFNMHGZPROD-JTQLQIEISA-N 0 3 279.344 1.491 20 5 CDBDHN NCc1ccc(Nc2ccc([N+](=O)[O-])c(N)n2)cn1 ZINC001160402339 938784786 /nfs/dbraw/zinc/78/47/86/938784786.db2.gz PNVKSXRSEPEHRD-UHFFFAOYSA-N 0 3 260.257 1.169 20 5 CDBDHN O=[N+]([O-])c1cnc(-n2ncc3c2CCNC3)c(Cl)c1 ZINC001165218015 939526092 /nfs/dbraw/zinc/52/60/92/939526092.db2.gz FKHBZEOMKZXBKM-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN CN1CCC(Oc2ccc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001226166770 941961505 /nfs/dbraw/zinc/96/15/05/941961505.db2.gz XLBHIPQHCAZWOF-UHFFFAOYSA-N 0 3 279.296 1.167 20 5 CDBDHN CN1CCC(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227463318 942179065 /nfs/dbraw/zinc/17/90/65/942179065.db2.gz OQVFCKOHQXOKNW-UHFFFAOYSA-N 0 3 281.268 1.976 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1ccc2occ([O-])c2c1 ZINC001233680766 943639575 /nfs/dbraw/zinc/63/95/75/943639575.db2.gz NODJUWJYWGHCQF-JTQLQIEISA-N 0 3 250.318 1.735 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCS(C)(=O)=O ZINC001254533136 947514229 /nfs/dbraw/zinc/51/42/29/947514229.db2.gz WFJWDLKWNBFWPI-JTQLQIEISA-N 0 3 286.353 1.160 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC3(C1)CCOC3)C2 ZINC001254597901 947546555 /nfs/dbraw/zinc/54/65/55/947546555.db2.gz IYPIZSKMKDTHRS-AWEZNQCLSA-N 0 3 274.320 1.784 20 5 CDBDHN C[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCN1C ZINC001254602058 947554145 /nfs/dbraw/zinc/55/41/45/947554145.db2.gz ACXCERDNBLHWOS-ABAIWWIYSA-N 0 3 275.352 1.698 20 5 CDBDHN CCOC(=O)[C@@]1(C(C)C)CCN(CC[N+](=O)[O-])C1 ZINC001341392959 963396433 /nfs/dbraw/zinc/39/64/33/963396433.db2.gz NKPDKCUSNDIAFG-LBPRGKRZSA-N 0 3 258.318 1.174 20 5 CDBDHN CC(COC(=O)c1cc(C2CC2)nn1C)[N+](=O)[O-] ZINC001343647711 964079162 /nfs/dbraw/zinc/07/91/62/964079162.db2.gz HAIBMCISHKWYIE-ZETCQYMHSA-N 0 3 253.258 1.120 20 5 CDBDHN CC(COC(=O)c1cccc2c1CCOC2)[N+](=O)[O-] ZINC001348533816 966044322 /nfs/dbraw/zinc/04/43/22/966044322.db2.gz NBEVWYCUZQNWNN-VIFPVBQESA-N 0 3 265.265 1.581 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)CC(F)(F)F)c1 ZINC000307935758 342476593 /nfs/dbraw/zinc/47/65/93/342476593.db2.gz FOXGBPYAFYWEST-JTQLQIEISA-N 0 3 278.230 1.998 20 5 CDBDHN NC(=O)c1ccc(CN2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152837911 342477182 /nfs/dbraw/zinc/47/71/82/342477182.db2.gz NOLQJIRJLQMGNY-VXGBXAGGSA-N 0 3 289.335 1.926 20 5 CDBDHN Cc1c(CNC(=O)[C@H](N)CC(F)F)cccc1[N+](=O)[O-] ZINC000312438683 342527120 /nfs/dbraw/zinc/52/71/20/342527120.db2.gz ITECZXHICPIDNS-SECBINFHSA-N 0 3 287.266 1.502 20 5 CDBDHN CCOC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000231885101 341994888 /nfs/dbraw/zinc/99/48/88/341994888.db2.gz ADPWOLMQGBNXHR-LBPRGKRZSA-N 0 3 268.313 1.390 20 5 CDBDHN CSC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000564862371 365537963 /nfs/dbraw/zinc/53/79/63/365537963.db2.gz CSXGBYBNHNUZKP-NSHDSACASA-N 0 3 270.354 1.717 20 5 CDBDHN COc1ccc(CNC[C@H]2CCCNC2=O)cc1[N+](=O)[O-] ZINC000590971956 342612299 /nfs/dbraw/zinc/61/22/99/342612299.db2.gz ZRKJEBBALUKNBQ-LLVKDONJSA-N 0 3 293.323 1.219 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)(CO)CC1 ZINC000401746164 342657625 /nfs/dbraw/zinc/65/76/25/342657625.db2.gz VARIWWWLGDQEMS-UHFFFAOYSA-N 0 3 282.344 1.194 20 5 CDBDHN Cc1c(CNC(=O)[C@H]2NCC2(C)C)cccc1[N+](=O)[O-] ZINC000591685648 342643365 /nfs/dbraw/zinc/64/33/65/342643365.db2.gz DLPUKKQGFXXWGR-GFCCVEGCSA-N 0 3 277.324 1.517 20 5 CDBDHN Cc1ccc(CNCC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593691243 342823500 /nfs/dbraw/zinc/82/35/00/342823500.db2.gz OLCQKVZWPDJTEH-OAHLLOKOSA-N 0 3 294.351 1.924 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)O ZINC000595005291 342995779 /nfs/dbraw/zinc/99/57/79/342995779.db2.gz BHPIEXKEGAYDJQ-RKDXNWHRSA-N 0 3 254.286 1.635 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598342891 343771162 /nfs/dbraw/zinc/77/11/62/343771162.db2.gz OLBPHAKUMJKYIE-VIFPVBQESA-N 0 3 267.285 1.402 20 5 CDBDHN CCOc1cncc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000598642696 343854914 /nfs/dbraw/zinc/85/49/14/343854914.db2.gz VWSKXHVXTDVCGU-UHFFFAOYSA-N 0 3 291.311 1.375 20 5 CDBDHN Cc1ccc([C@H](C)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599085548 343951401 /nfs/dbraw/zinc/95/14/01/343951401.db2.gz SMBDFHLBKXFMDH-GXTWGEPZSA-N 0 3 293.367 1.620 20 5 CDBDHN CCc1nc(CNCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000602674294 344524209 /nfs/dbraw/zinc/52/42/09/344524209.db2.gz XJDHTSDLMDYYTI-UHFFFAOYSA-N 0 3 275.312 1.608 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CNCC1(O)CCC1)OCCO2 ZINC000609544508 345597231 /nfs/dbraw/zinc/59/72/31/345597231.db2.gz WYTSXWCPISZWNT-UHFFFAOYSA-N 0 3 294.307 1.371 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cn[nH]c1 ZINC000610487851 346292201 /nfs/dbraw/zinc/29/22/01/346292201.db2.gz ZMQXPHBTAWTORC-UHFFFAOYSA-N 0 3 260.297 1.992 20 5 CDBDHN CN(CCOC(C)(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000610859714 346467810 /nfs/dbraw/zinc/46/78/10/346467810.db2.gz JPYBCMLJFXXVHV-UHFFFAOYSA-N 0 3 270.333 1.538 20 5 CDBDHN CC1CCN(C[C@@H](O)CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000344409832 362753625 /nfs/dbraw/zinc/75/36/25/362753625.db2.gz ARSQNIVHNKNCNP-ZDUSSCGKSA-N 0 3 294.355 1.495 20 5 CDBDHN COCCN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055905912 347854501 /nfs/dbraw/zinc/85/45/01/347854501.db2.gz PCOMAUPVWYPADI-UHFFFAOYSA-N 0 3 268.313 1.942 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000086468075 179298677 /nfs/dbraw/zinc/29/86/77/179298677.db2.gz NCFJHICIVGXZDX-JZUADKBYSA-N 0 3 289.335 1.817 20 5 CDBDHN CC[C@@H](CO)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614822132 348242661 /nfs/dbraw/zinc/24/26/61/348242661.db2.gz RYSBQSIHWIRTME-JTQLQIEISA-N 0 3 282.296 1.227 20 5 CDBDHN COc1ccc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000025149387 348620208 /nfs/dbraw/zinc/62/02/08/348620208.db2.gz SIKZTKLYEFLDSJ-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN COCCN(CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000059385841 348879900 /nfs/dbraw/zinc/87/99/00/348879900.db2.gz SBQJMNLDBCOSNF-UHFFFAOYSA-N 0 3 282.340 1.732 20 5 CDBDHN Cc1cc(C(=O)NC[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000109847722 186276391 /nfs/dbraw/zinc/27/63/91/186276391.db2.gz VEFHAIRTACLLHP-NSHDSACASA-N 0 3 277.324 1.585 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000122657575 187044302 /nfs/dbraw/zinc/04/43/02/187044302.db2.gz PZYZWPSASVMKED-DTWKUNHWSA-N 0 3 281.287 1.556 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000153467968 188084797 /nfs/dbraw/zinc/08/47/97/188084797.db2.gz NMVDJJSJOLDVJX-ZDUSSCGKSA-N 0 3 277.324 1.761 20 5 CDBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000273505989 192179188 /nfs/dbraw/zinc/17/91/88/192179188.db2.gz WFOVRMIETYOYHJ-MRVPVSSYSA-N 0 3 284.291 1.806 20 5 CDBDHN CN1CC=C(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000273709094 192272548 /nfs/dbraw/zinc/27/25/48/192272548.db2.gz FAGZPVGELZSWPA-UHFFFAOYSA-N 0 3 290.323 1.368 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000037646935 356516396 /nfs/dbraw/zinc/51/63/96/356516396.db2.gz VDBNTTJWZRWQAB-VIFPVBQESA-N 0 3 297.742 1.930 20 5 CDBDHN CO[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000361361086 358170173 /nfs/dbraw/zinc/17/01/73/358170173.db2.gz BKLSMRIPAMEJOC-GXTWGEPZSA-N 0 3 296.323 1.055 20 5 CDBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000192173897 358179612 /nfs/dbraw/zinc/17/96/12/358179612.db2.gz HRHIOATWPABXQK-JTQLQIEISA-N 0 3 270.358 1.619 20 5 CDBDHN CC1(C)CN[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000591674550 358576077 /nfs/dbraw/zinc/57/60/77/358576077.db2.gz XKRBCDWKWKPOAC-NSHDSACASA-N 0 3 263.297 1.209 20 5 CDBDHN CC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176208055 358737298 /nfs/dbraw/zinc/73/72/98/358737298.db2.gz IKVSHYYPOPNDIV-LLVKDONJSA-N 0 3 252.318 1.913 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H]3OCCC[C@@H]3C2)n1 ZINC000153002191 359619708 /nfs/dbraw/zinc/61/97/08/359619708.db2.gz XLQADRPXJKQTQO-VXGBXAGGSA-N 0 3 280.328 1.292 20 5 CDBDHN CN(CCC(=O)OC(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000150880490 360006589 /nfs/dbraw/zinc/00/65/89/360006589.db2.gz SYQDLOTWCFCCDR-UHFFFAOYSA-N 0 3 298.343 1.455 20 5 CDBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000112309829 360521877 /nfs/dbraw/zinc/52/18/77/360521877.db2.gz RLKKIIJOEWOWSO-UHFFFAOYSA-N 0 3 269.301 1.650 20 5 CDBDHN Cc1ccc(CN(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000289762452 360955674 /nfs/dbraw/zinc/95/56/74/360955674.db2.gz JXXSDHVYDFFKMY-UHFFFAOYSA-N 0 3 251.330 1.897 20 5 CDBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358328734 360960467 /nfs/dbraw/zinc/96/04/67/360960467.db2.gz JYUWGVDEMHFICP-LBPRGKRZSA-N 0 3 285.731 1.727 20 5 CDBDHN Cc1ccc(NC(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000180587567 189263340 /nfs/dbraw/zinc/26/33/40/189263340.db2.gz GATXIHPDVQKLLH-UHFFFAOYSA-N 0 3 266.301 1.586 20 5 CDBDHN Cc1nc(N2CC[C@@]3(C2)CCCN(C)C3)ncc1[N+](=O)[O-] ZINC000294831134 361413403 /nfs/dbraw/zinc/41/34/03/361413403.db2.gz ADGUWTOMQVJNDF-AWEZNQCLSA-N 0 3 291.355 1.615 20 5 CDBDHN COC[C@@H](CCO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223970006 370763564 /nfs/dbraw/zinc/76/35/64/370763564.db2.gz HDCJIHGMMHGRME-CMPLNLGQSA-N 0 3 268.313 1.643 20 5 CDBDHN COCCCN(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000275503995 193060412 /nfs/dbraw/zinc/06/04/12/193060412.db2.gz RJNKUUHJSKEWQJ-UHFFFAOYSA-N 0 3 298.339 1.304 20 5 CDBDHN O=C(N1CCc2c1cccc2[N+](=O)[O-])[C@]1(F)CCNC1 ZINC000370779905 283896003 /nfs/dbraw/zinc/89/60/03/283896003.db2.gz LTNYEXPBZKFFDH-ZDUSSCGKSA-N 0 3 279.271 1.186 20 5 CDBDHN CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271078778 366964953 /nfs/dbraw/zinc/96/49/53/366964953.db2.gz XVXNZYFMPZGLIO-CQSZACIVSA-N 0 3 293.367 1.654 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN[C@@H](C)C1 ZINC000420332087 244097209 /nfs/dbraw/zinc/09/72/09/244097209.db2.gz FXSKJOGIDIGPNC-NSHDSACASA-N 0 3 292.339 1.135 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C ZINC000330898254 203367828 /nfs/dbraw/zinc/36/78/28/203367828.db2.gz IBTXZQBZDOINAY-RKDXNWHRSA-N 0 3 266.301 1.135 20 5 CDBDHN CSCC[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237315824 189872585 /nfs/dbraw/zinc/87/25/85/189872585.db2.gz AIEBXYRFMSKKRJ-NSHDSACASA-N 0 3 297.380 1.334 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(C2CC2)CC1 ZINC000368334572 373313324 /nfs/dbraw/zinc/31/33/24/373313324.db2.gz HVJRBPKBQMBQJB-UHFFFAOYSA-N 0 3 291.351 1.879 20 5 CDBDHN Cc1c(CN2C[C@H]3[C@H](CO)[C@H]3C2)cccc1[N+](=O)[O-] ZINC000368336346 373323645 /nfs/dbraw/zinc/32/36/45/373323645.db2.gz MWOBPOVZEQZOSE-ITGUQSILSA-N 0 3 262.309 1.573 20 5 CDBDHN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000130741616 373507474 /nfs/dbraw/zinc/50/74/74/373507474.db2.gz LPJLSLUSDXOGSU-UHFFFAOYSA-N 0 3 283.715 1.684 20 5 CDBDHN COc1ccc(CNC[C@]2(OC)CCOC2)cc1[N+](=O)[O-] ZINC000122899156 373580044 /nfs/dbraw/zinc/58/00/44/373580044.db2.gz QQFAHRYVCWAQAK-CQSZACIVSA-N 0 3 296.323 1.499 20 5 CDBDHN Cc1c([C@H](C)NC[C@H]2CNCCN2C)cccc1[N+](=O)[O-] ZINC000423502771 374384830 /nfs/dbraw/zinc/38/48/30/374384830.db2.gz FIWQFWVJZCOYKC-QWHCGFSZSA-N 0 3 292.383 1.457 20 5 CDBDHN Cc1c([C@@H](C)NC[C@@H]2CNCCN2C)cccc1[N+](=O)[O-] ZINC000423502770 374386097 /nfs/dbraw/zinc/38/60/97/374386097.db2.gz FIWQFWVJZCOYKC-OLZOCXBDSA-N 0 3 292.383 1.457 20 5 CDBDHN CCOC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000069278537 374540587 /nfs/dbraw/zinc/54/05/87/374540587.db2.gz KMCIEOYPKVKLNE-GFCCVEGCSA-N 0 3 254.286 1.082 20 5 CDBDHN O=C1C[C@@H](NCc2cccc([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000376588523 374564024 /nfs/dbraw/zinc/56/40/24/374564024.db2.gz CRSWZDZYRAKSRS-KGLIPLIRSA-N 0 3 289.335 1.838 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2c[nH]nc2C1 ZINC000378097893 374631147 /nfs/dbraw/zinc/63/11/47/374631147.db2.gz ADYCBRCDCFBYJZ-LBPRGKRZSA-N 0 3 272.308 1.965 20 5 CDBDHN COc1ccc(CN[C@@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447923829 374721903 /nfs/dbraw/zinc/72/19/03/374721903.db2.gz UIIUAFNQIALHJO-AAEUAGOBSA-N 0 3 296.323 1.233 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000331159496 374898040 /nfs/dbraw/zinc/89/80/40/374898040.db2.gz DWUDZMRHTKOEOW-QWHCGFSZSA-N 0 3 291.351 1.908 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CCCO3)C2)nc1 ZINC000331365247 374941092 /nfs/dbraw/zinc/94/10/92/374941092.db2.gz CYCUINWRZBJZFE-DGCLKSJQSA-N 0 3 292.339 1.655 20 5 CDBDHN CC(C)[C@H](CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000344708662 375197809 /nfs/dbraw/zinc/19/78/09/375197809.db2.gz JYJMUTPBVHCUAV-ZDUSSCGKSA-N 0 3 296.323 1.568 20 5 CDBDHN CCC(CC)(CC(=O)OC)NCc1c([N+](=O)[O-])ncn1C ZINC000350641934 375221692 /nfs/dbraw/zinc/22/16/92/375221692.db2.gz LYXBHKYTZMHTIG-UHFFFAOYSA-N 0 3 298.343 1.540 20 5 CDBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000353210686 375587441 /nfs/dbraw/zinc/58/74/41/375587441.db2.gz ZVOYJKUZQXDORJ-KBPBESRZSA-N 0 3 280.324 1.878 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN(CCO)CCCO ZINC000353613671 375633036 /nfs/dbraw/zinc/63/30/36/375633036.db2.gz OVYYPZMPJJCVHZ-UTCJRWHESA-N 0 3 280.324 1.285 20 5 CDBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000294078936 375664428 /nfs/dbraw/zinc/66/44/28/375664428.db2.gz JNHHNYRMLQJQNT-AWEZNQCLSA-N 0 3 292.339 1.481 20 5 CDBDHN Cc1ccc(NC(=O)[C@@]2(F)CCNC2)cc1[N+](=O)[O-] ZINC000163399001 375687518 /nfs/dbraw/zinc/68/75/18/375687518.db2.gz WRSPJJNYJCWBLA-GFCCVEGCSA-N 0 3 267.260 1.543 20 5 CDBDHN COc1c(C(=O)NC[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000354431977 375709971 /nfs/dbraw/zinc/70/99/71/375709971.db2.gz SZWHRFAJPLPTHT-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000357415012 375907146 /nfs/dbraw/zinc/90/71/46/375907146.db2.gz NIBCPGSBRBLTKW-RKDXNWHRSA-N 0 3 266.301 1.135 20 5 CDBDHN Cc1c([C@@H](C)N[C@@H]2CCC(=O)NC2)cccc1[N+](=O)[O-] ZINC000358132843 375952747 /nfs/dbraw/zinc/95/27/47/375952747.db2.gz OWPYFGKBHSKAEB-GHMZBOCLSA-N 0 3 277.324 1.832 20 5 CDBDHN Cc1c([C@@H](C)NC[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000358224527 375958349 /nfs/dbraw/zinc/95/83/49/375958349.db2.gz RDQGSJODOQMZHM-NEPJUHHUSA-N 0 3 280.324 1.969 20 5 CDBDHN C[C@H]1NCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262786758 190062860 /nfs/dbraw/zinc/06/28/60/190062860.db2.gz MMJOEVBFHPMKSC-MNOVXSKESA-N 0 3 277.324 1.346 20 5 CDBDHN Cc1sc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262832854 190063451 /nfs/dbraw/zinc/06/34/51/190063451.db2.gz VNFFBPLYGRHJOY-HTQZYQBOSA-N 0 3 283.353 1.787 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000262816215 190063541 /nfs/dbraw/zinc/06/35/41/190063541.db2.gz RXKUDBGHQMBLKS-NXEZZACHSA-N 0 3 263.297 1.417 20 5 CDBDHN O=C([C@H]1C[C@H](F)CN1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446319614 284587578 /nfs/dbraw/zinc/58/75/78/284587578.db2.gz GZBNZSHDDQHNMJ-WCQYABFASA-N 0 3 293.298 1.180 20 5 CDBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCCF)n1 ZINC000436280824 249392528 /nfs/dbraw/zinc/39/25/28/249392528.db2.gz FLKOEJBALBLYCF-NXEZZACHSA-N 0 3 256.281 1.834 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1CO ZINC000069841888 378895696 /nfs/dbraw/zinc/89/56/96/378895696.db2.gz HWSWNQOSVRDARQ-NSHDSACASA-N 0 3 266.297 1.430 20 5 CDBDHN COC1CC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446849081 250319212 /nfs/dbraw/zinc/31/92/12/250319212.db2.gz LLFHQUQKGOLRPK-UHFFFAOYSA-N 0 3 276.296 1.738 20 5 CDBDHN C[C@H](Cn1cncn1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266834968 190283876 /nfs/dbraw/zinc/28/38/76/190283876.db2.gz FITSQDJGHMSAAF-GHMZBOCLSA-N 0 3 275.312 1.926 20 5 CDBDHN Cc1[nH]cnc1CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000279124563 194294532 /nfs/dbraw/zinc/29/45/32/194294532.db2.gz AWXXWLNEHVOOIE-UHFFFAOYSA-N 0 3 288.307 1.528 20 5 CDBDHN Cc1nc(N[C@H]2CN(C(C)C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450380022 251254067 /nfs/dbraw/zinc/25/40/67/251254067.db2.gz POWXCKIPRFBTNO-ONGXEEELSA-N 0 3 279.344 1.834 20 5 CDBDHN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCN(C2CC2)C1 ZINC000452574220 252098863 /nfs/dbraw/zinc/09/88/63/252098863.db2.gz VCUXNCLHXONYJV-SNVBAGLBSA-N 0 3 292.339 1.479 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492840481 253306420 /nfs/dbraw/zinc/30/64/20/253306420.db2.gz NCMXQIKWXHLPQI-TVRMLOFPSA-N 0 3 277.324 1.674 20 5 CDBDHN COCC[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281804034 195388652 /nfs/dbraw/zinc/38/86/52/195388652.db2.gz YMVGTJSKVMVXKO-JQWIXIFHSA-N 0 3 268.313 1.643 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000127765826 390687455 /nfs/dbraw/zinc/68/74/55/390687455.db2.gz RHRVKKJHICDPTL-UHFFFAOYSA-N 0 3 251.286 1.195 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CNCCO2)c(Cl)c1 ZINC000415093665 391016224 /nfs/dbraw/zinc/01/62/24/391016224.db2.gz IGFRXJFMJOGDCK-NSHDSACASA-N 0 3 285.731 1.326 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000516951357 390967215 /nfs/dbraw/zinc/96/72/15/390967215.db2.gz YJXROIGYWFEJOS-WDEREUQCSA-N 0 3 279.344 1.260 20 5 CDBDHN CN(c1ncc([N+](=O)[O-])cc1F)C1CCN(CCO)CC1 ZINC000413126542 391162419 /nfs/dbraw/zinc/16/24/19/391162419.db2.gz HVDRSGYSTUPHSX-UHFFFAOYSA-N 0 3 298.318 1.022 20 5 CDBDHN CCc1nn(C)c(N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000366112790 391340613 /nfs/dbraw/zinc/34/06/13/391340613.db2.gz RBTAMKHJFBSPEP-AWEZNQCLSA-N 0 3 293.371 1.423 20 5 CDBDHN CCNC(=O)C(C)(C)NCCOc1ccccc1[N+](=O)[O-] ZINC000459567916 392470025 /nfs/dbraw/zinc/47/00/25/392470025.db2.gz YOQMRGTZYAQAIR-UHFFFAOYSA-N 0 3 295.339 1.478 20 5 CDBDHN CCOC[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000459716262 392500951 /nfs/dbraw/zinc/50/09/51/392500951.db2.gz PXUAYDWVHDYCNY-LBPRGKRZSA-N 0 3 282.344 1.682 20 5 CDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549372476 392572320 /nfs/dbraw/zinc/57/23/20/392572320.db2.gz SXZWPGVGKRCZQX-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN CC(C)(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000521142397 392865263 /nfs/dbraw/zinc/86/52/63/392865263.db2.gz LWDUFCZFSCUJOK-UHFFFAOYSA-N 0 3 294.355 1.869 20 5 CDBDHN CN(CCCn1ccnc1)CCn1cc([N+](=O)[O-])cn1 ZINC000124369164 393129904 /nfs/dbraw/zinc/12/99/04/393129904.db2.gz QTSTUBJGOJDONJ-UHFFFAOYSA-N 0 3 278.316 1.010 20 5 CDBDHN NC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000449274876 393132151 /nfs/dbraw/zinc/13/21/51/393132151.db2.gz HZJIEDIJUIWXOV-UHFFFAOYSA-N 0 3 275.308 1.361 20 5 CDBDHN COc1ccc(CNCCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000230881467 397606644 /nfs/dbraw/zinc/60/66/44/397606644.db2.gz WAWONHXJXARJMO-UHFFFAOYSA-N 0 3 290.323 1.669 20 5 CDBDHN O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343138904 152046946 /nfs/dbraw/zinc/04/69/46/152046946.db2.gz OQQKZPJUHLNNSS-UHFFFAOYSA-N 0 3 266.301 1.139 20 5 CDBDHN C[C@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CCCN1C ZINC000343451221 152182914 /nfs/dbraw/zinc/18/29/14/152182914.db2.gz FTZQHSRFCMGIGU-DTWKUNHWSA-N 0 3 253.306 1.223 20 5 CDBDHN CCc1nn(C)c(N[C@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000343604895 152241018 /nfs/dbraw/zinc/24/10/18/152241018.db2.gz NYINBAOQLJUXJO-ONGXEEELSA-N 0 3 281.360 1.785 20 5 CDBDHN COc1ccc(CN(C)[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000352679392 155358379 /nfs/dbraw/zinc/35/83/79/155358379.db2.gz ZRPWMUOOLUCUKQ-YPMHNXCESA-N 0 3 280.324 1.949 20 5 CDBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000346710799 153284380 /nfs/dbraw/zinc/28/43/80/153284380.db2.gz TWLLDBGOAAGKCP-UHFFFAOYSA-N 0 3 280.328 1.101 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCOC1CNC1 ZINC000349059777 154042040 /nfs/dbraw/zinc/04/20/40/154042040.db2.gz UOPXIGBSMHHQNU-UHFFFAOYSA-N 0 3 279.296 1.220 20 5 CDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352129268 154974433 /nfs/dbraw/zinc/97/44/33/154974433.db2.gz OVPZJPHMKDHWNA-AWEZNQCLSA-N 0 3 295.339 1.027 20 5 CDBDHN C[C@@H]1CCN(C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359296053 158204131 /nfs/dbraw/zinc/20/41/31/158204131.db2.gz QTVUBMZVEAUEQZ-GFCCVEGCSA-N 0 3 291.351 1.690 20 5 CDBDHN NC(=O)c1ccc(CN2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000374303202 160271909 /nfs/dbraw/zinc/27/19/09/160271909.db2.gz SNUTXBXMPLCPIH-LBPRGKRZSA-N 0 3 289.335 1.926 20 5 CDBDHN CSCC[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000040467572 174275544 /nfs/dbraw/zinc/27/55/44/174275544.db2.gz IHHPORMQKLKVOB-NSHDSACASA-N 0 3 297.380 1.634 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCN(C)C1 ZINC000044537969 175200055 /nfs/dbraw/zinc/20/00/55/175200055.db2.gz FGKMCLUOHLSOPS-VIFPVBQESA-N 0 3 253.306 1.082 20 5 CDBDHN CNc1ccc(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000221247920 261371075 /nfs/dbraw/zinc/37/10/75/261371075.db2.gz MJXIHDKPURHCKD-LLVKDONJSA-N 0 3 292.339 1.461 20 5 CDBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000042509321 270225731 /nfs/dbraw/zinc/22/57/31/270225731.db2.gz JIAHHWVDQOGEEM-NSHDSACASA-N 0 3 277.324 1.809 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1COCCO1)CCC2 ZINC000447533418 275038508 /nfs/dbraw/zinc/03/85/08/275038508.db2.gz RJNILEZTGARVJH-DZGCQCFKSA-N 0 3 292.335 1.977 20 5 CDBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C1=CCN(C)CC1 ZINC000357934739 278330878 /nfs/dbraw/zinc/33/08/78/278330878.db2.gz HTGPUPHCHPTBHK-SNVBAGLBSA-N 0 3 292.339 1.314 20 5 CDBDHN C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262826383 279037293 /nfs/dbraw/zinc/03/72/93/279037293.db2.gz UBXCPCZQTHICPH-UWVGGRQHSA-N 0 3 263.297 1.417 20 5 CDBDHN C[C@H](NC1CC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000574877396 295068144 /nfs/dbraw/zinc/06/81/44/295068144.db2.gz IRSFCWBHZVKWJT-VIFPVBQESA-N 0 3 290.323 1.015 20 5 CDBDHN CC[C@@H](C)NC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000037997191 522153788 /nfs/dbraw/zinc/15/37/88/522153788.db2.gz ILWCTGIVNWRIIF-LLVKDONJSA-N 0 3 279.340 1.989 20 5 CDBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000050708748 519793462 /nfs/dbraw/zinc/79/34/62/519793462.db2.gz XIEMZXLRWNKLCX-GFCCVEGCSA-N 0 3 294.355 1.493 20 5 CDBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000354355167 521715012 /nfs/dbraw/zinc/71/50/12/521715012.db2.gz XQCMOHCBFCILPS-VHSXEESVSA-N 0 3 294.359 1.106 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](CO)C2)cc1 ZINC000304315434 527373128 /nfs/dbraw/zinc/37/31/28/527373128.db2.gz RLUNSVGSZIWRCF-NSHDSACASA-N 0 3 266.297 1.288 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN(CCCF)CC2)n1 ZINC000365850531 527407222 /nfs/dbraw/zinc/40/72/22/527407222.db2.gz SZFAMKKJZMTWOP-UHFFFAOYSA-N 0 3 256.281 1.788 20 5 CDBDHN CC[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423724750 536138110 /nfs/dbraw/zinc/13/81/10/536138110.db2.gz NGVYUEREULCTAM-ZDUSSCGKSA-N 0 3 277.324 1.823 20 5 CDBDHN COc1ccc(NC(=O)C2(N)CCCC2)cc1[N+](=O)[O-] ZINC000261596923 536756032 /nfs/dbraw/zinc/75/60/32/536756032.db2.gz XWDDPFDFVZZYJM-UHFFFAOYSA-N 0 3 279.296 1.813 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000759873428 576440062 /nfs/dbraw/zinc/44/00/62/576440062.db2.gz NKSGLOVSXBAAEU-BPCQOVAHSA-N 0 3 266.297 1.083 20 5 CDBDHN C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821587148 606761734 /nfs/dbraw/zinc/76/17/34/606761734.db2.gz JBKDKHCPWHGBRP-UHFFFAOYSA-N 0 3 294.340 1.429 20 5 CDBDHN C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821587148 606761736 /nfs/dbraw/zinc/76/17/36/606761736.db2.gz JBKDKHCPWHGBRP-UHFFFAOYSA-N 0 3 294.340 1.429 20 5 CDBDHN CCN1CCCC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000892459682 618224253 /nfs/dbraw/zinc/22/42/53/618224253.db2.gz CWQPEFOHPYJLHB-SNVBAGLBSA-N 0 3 267.333 1.615 20 5 CDBDHN CN(CCN1CCCCC1)c1c([N+](=O)[O-])cnn1C ZINC000894355837 618816260 /nfs/dbraw/zinc/81/62/60/618816260.db2.gz AXYJPRZFXNQRQJ-UHFFFAOYSA-N 0 3 267.333 1.250 20 5 CDBDHN C[C@]1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592621 693975976 /nfs/dbraw/zinc/97/59/76/693975976.db2.gz QZUUMXFZINNBJB-STQMWFEESA-N 0 3 266.297 1.085 20 5 CDBDHN COc1ccc2c(c1)C[C@H](C(=O)OCC(C)[N+](=O)[O-])CO2 ZINC000813110196 694039297 /nfs/dbraw/zinc/03/92/97/694039297.db2.gz UPXVIIRABXFJGO-KOLCDFICSA-N 0 3 295.291 1.455 20 5 CDBDHN COc1ccc2[nH]cc(CC(=O)OCC(C)[N+](=O)[O-])c2c1 ZINC000813109341 688824053 /nfs/dbraw/zinc/82/40/53/688824053.db2.gz IQZTVOCOFVTKLP-SECBINFHSA-N 0 3 292.291 1.927 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)O1 ZINC000852037797 694329282 /nfs/dbraw/zinc/32/92/82/694329282.db2.gz ANOAPEWVOBOZNS-LBPRGKRZSA-N 0 3 278.308 1.775 20 5 CDBDHN Cc1c(CNCCC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000159375506 692447148 /nfs/dbraw/zinc/44/71/48/692447148.db2.gz QYCOVNWZRZOWGL-UHFFFAOYSA-N 0 3 279.340 1.908 20 5 CDBDHN Cc1nn(C)c2nc(C)cc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC000813103465 693156622 /nfs/dbraw/zinc/15/66/22/693156622.db2.gz BLGCGAFTUQLBEK-MRVPVSSYSA-N 0 3 292.295 1.407 20 5 CDBDHN CCO[C@@H]1COC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832455859 693358816 /nfs/dbraw/zinc/35/88/16/693358816.db2.gz QWJUSMCIKWOWCG-HZSPNIEDSA-N 0 3 296.323 1.022 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2ccccn2)C2CC2)n1 ZINC000932378029 694829629 /nfs/dbraw/zinc/82/96/29/694829629.db2.gz KGUTZFNRROWIET-CQSZACIVSA-N 0 3 287.323 1.927 20 5 CDBDHN CC(COC(=O)[C@@H]1CCO[C@H]1c1ccncc1)[N+](=O)[O-] ZINC000845575042 694633087 /nfs/dbraw/zinc/63/30/87/694633087.db2.gz FQBKSRGYMUAHIZ-WCQGTBRESA-N 0 3 280.280 1.368 20 5 CDBDHN Cc1ccc(CN[C@@](C)(C(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000312231659 694830874 /nfs/dbraw/zinc/83/08/74/694830874.db2.gz HRWDUECXVCDYOM-CQSZACIVSA-N 0 3 279.340 1.893 20 5 CDBDHN C[C@H](O)[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246248611 694854935 /nfs/dbraw/zinc/85/49/35/694854935.db2.gz IXUKYMIFTCHEDL-NILFDRSVSA-N 0 3 294.351 1.864 20 5 CDBDHN CC[C@@](N)(CO)N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315367 1162334505 /nfs/dbraw/zinc/33/45/05/1162334505.db2.gz XJDKDCGADAVDLH-HZMBPMFUSA-N 0 3 297.355 1.181 20 5 CDBDHN CC(COC(=O)c1ccc(-n2cccc2)nc1)[N+](=O)[O-] ZINC000813099924 1163804971 /nfs/dbraw/zinc/80/49/71/1163804971.db2.gz HPMGWXXXZXJDFX-JTQLQIEISA-N 0 3 275.264 1.694 20 5 CDBDHN CC(COC(=O)c1cc2ccccc2oc1=O)[N+](=O)[O-] ZINC000813107683 1163814584 /nfs/dbraw/zinc/81/45/84/1163814584.db2.gz QLCIFFCNACSUQC-QMMMGPOBSA-N 0 3 277.232 1.615 20 5 CDBDHN CC(COC(=O)CNC(=O)Nc1ccccc1)[N+](=O)[O-] ZINC000813115550 1163817614 /nfs/dbraw/zinc/81/76/14/1163817614.db2.gz UWLXUICNJXTYKN-VIFPVBQESA-N 0 3 281.268 1.017 20 5 CDBDHN COc1ccc(/C=C\C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813115604 1163818203 /nfs/dbraw/zinc/81/82/03/1163818203.db2.gz WDDUQEXDFZUNIE-BXKUYDPTSA-N 0 3 295.291 1.925 20 5 CDBDHN C[C@@H]1[C@H](CO)CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672374 723201470 /nfs/dbraw/zinc/20/14/70/723201470.db2.gz FTQFZHKQMABCGW-OSAQELSMSA-N 0 3 294.351 1.721 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037286027 723647236 /nfs/dbraw/zinc/64/72/36/723647236.db2.gz JCWDMYQZOBNCLN-NSHDSACASA-N 0 3 295.314 1.948 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)CCO)c1 ZINC000884824842 723686137 /nfs/dbraw/zinc/68/61/37/723686137.db2.gz RHYJUDRWBJKEDC-UHFFFAOYSA-N 0 3 253.302 1.239 20 5 CDBDHN CN1CCCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000228387337 1164412066 /nfs/dbraw/zinc/41/20/66/1164412066.db2.gz PJAPPELMRQZUOA-SNVBAGLBSA-N 0 3 250.302 1.886 20 5 CDBDHN COc1ccc(CNCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000134741377 723324362 /nfs/dbraw/zinc/32/43/62/723324362.db2.gz IXARYLYPEYTTTH-GOSISDBHSA-N 0 3 272.326 1.072 20 5 CDBDHN C[C@H](O)CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094834 723501805 /nfs/dbraw/zinc/50/18/05/723501805.db2.gz PGJRVGKOISUIDY-HZMBPMFUSA-N 0 3 280.324 1.473 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC(C)(CO)CO ZINC000876748008 1165907502 /nfs/dbraw/zinc/90/75/02/1165907502.db2.gz SNALSVOBVGEKJN-UHFFFAOYSA-N 0 3 296.367 1.634 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001122456287 913749748 /nfs/dbraw/zinc/74/97/48/913749748.db2.gz NRLOXCSXILDVAG-UHFFFAOYSA-N 0 3 277.324 1.601 20 5 CDBDHN COc1ccc(CN[C@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000699804835 914290444 /nfs/dbraw/zinc/29/04/44/914290444.db2.gz JHBDXMBENOUZIK-KOLCDFICSA-N 0 3 266.297 1.728 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ncccc2F)C1 ZINC001168964763 927586931 /nfs/dbraw/zinc/58/69/31/927586931.db2.gz VYAGVOOSTCDXAT-VHSXEESVSA-N 0 3 253.277 1.756 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3cccnc3)CC2)C1 ZINC001169011094 927616402 /nfs/dbraw/zinc/61/64/02/927616402.db2.gz IGRFTIADUFBNGU-ZIAGYGMSSA-N 0 3 290.367 1.649 20 5 CDBDHN COc1ccc(-n2ccc([C@H](C)N)n2)nc1[N+](=O)[O-] ZINC001169228053 927824842 /nfs/dbraw/zinc/82/48/42/927824842.db2.gz LGEWBDMJFSWYQY-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN NCc1ccc2c(n1)N(c1nccnc1[N+](=O)[O-])CCC2 ZINC001169582965 928234015 /nfs/dbraw/zinc/23/40/15/928234015.db2.gz AEBJAEJJIWJXLA-UHFFFAOYSA-N 0 3 286.295 1.323 20 5 CDBDHN CN(C)CCONC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820989823 930995551 /nfs/dbraw/zinc/99/55/51/930995551.db2.gz BUWITVRYOLMBBF-OLZOCXBDSA-N 0 3 293.323 1.308 20 5 CDBDHN CC(COC(=O)c1cccc2c1OCCCO2)[N+](=O)[O-] ZINC000845576986 931851293 /nfs/dbraw/zinc/85/12/93/931851293.db2.gz PLWSTYVZQJZKTL-SECBINFHSA-N 0 3 281.264 1.670 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)o1 ZINC001118958070 937681574 /nfs/dbraw/zinc/68/15/74/937681574.db2.gz AMCOKXDBVAMKOY-ATVXKPNKSA-N 0 3 262.225 1.518 20 5 CDBDHN COC(=O)c1cc(F)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC001122950075 936087920 /nfs/dbraw/zinc/08/79/20/936087920.db2.gz GDRZHKUGPWIPOM-SSDOTTSWSA-N 0 3 285.227 1.434 20 5 CDBDHN COc1nc(N2C[C@H]3CCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001157263004 938471041 /nfs/dbraw/zinc/47/10/41/938471041.db2.gz ZVDLXEWSAIYETP-PWSUYJOCSA-N 0 3 292.339 1.529 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165269099 939537131 /nfs/dbraw/zinc/53/71/31/939537131.db2.gz DGLDKUXLROYVTF-ONGXEEELSA-N 0 3 298.730 1.210 20 5 CDBDHN CCN1CC[C@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230595063 942651330 /nfs/dbraw/zinc/65/13/30/942651330.db2.gz ITHKWFQOJLFSQG-JTQLQIEISA-N 0 3 276.296 1.944 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCCOCC1)C2 ZINC001254601119 947549940 /nfs/dbraw/zinc/54/99/40/947549940.db2.gz ZPKQEGHVXWUKQO-AWEZNQCLSA-N 0 3 262.309 1.784 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC2CC3)s1 ZINC001307230715 956384221 /nfs/dbraw/zinc/38/42/21/956384221.db2.gz VXIKNFIHKMPWFI-VIFPVBQESA-N 0 3 268.342 1.805 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC001308743094 956573230 /nfs/dbraw/zinc/57/32/30/956573230.db2.gz ZHFJSVGRFTYRJY-KOLCDFICSA-N 0 3 296.323 1.560 20 5 CDBDHN CC(COC(=O)c1cccc2c1OCC2)[N+](=O)[O-] ZINC001343653605 964081601 /nfs/dbraw/zinc/08/16/01/964081601.db2.gz VSKWRXTXQAFSGS-MRVPVSSYSA-N 0 3 251.238 1.444 20 5 CDBDHN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001576252238 1171372112 /nfs/dbraw/zinc/37/21/12/1171372112.db2.gz QHPSWQDZMXXWPP-WDMOLILDSA-N 0 3 279.340 1.622 20 5 CDBDHN C[C@H]1CN(c2cccnc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000590703663 342582537 /nfs/dbraw/zinc/58/25/37/342582537.db2.gz GUVNDNIZSMHZTQ-LLVKDONJSA-N 0 3 276.340 1.910 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CCNC[C@@](C)(F)C2)n1 ZINC000591442217 342632374 /nfs/dbraw/zinc/63/23/74/342632374.db2.gz WMJMZSMLXCUQCZ-GFCCVEGCSA-N 0 3 268.292 1.436 20 5 CDBDHN CCC(C)(C)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000594020320 342866649 /nfs/dbraw/zinc/86/66/49/342866649.db2.gz HLPFZVHCUNDSCR-UHFFFAOYSA-N 0 3 295.387 1.598 20 5 CDBDHN COc1ccc(CN[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000323437173 342878863 /nfs/dbraw/zinc/87/88/63/342878863.db2.gz RKBKPDAYCQLFFS-JQWIXIFHSA-N 0 3 266.297 1.606 20 5 CDBDHN C[C@@H](O)C[C@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611931594 346909999 /nfs/dbraw/zinc/90/99/99/346909999.db2.gz BGWZDBQYMXGZJT-VHSXEESVSA-N 0 3 296.323 1.615 20 5 CDBDHN CC[NH+]1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596085995 343221210 /nfs/dbraw/zinc/22/12/10/343221210.db2.gz RRASYPTWWDXLKJ-UHFFFAOYSA-N 0 3 280.328 1.839 20 5 CDBDHN C[NH+](C)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596054198 343221835 /nfs/dbraw/zinc/22/18/35/343221835.db2.gz KVBRQNRVIVUGAQ-UHFFFAOYSA-N 0 3 254.290 1.448 20 5 CDBDHN C[N@@H+]1CCCC12CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596183746 343251058 /nfs/dbraw/zinc/25/10/58/343251058.db2.gz ZZTBMOXNNNFDEQ-UHFFFAOYSA-N 0 3 292.339 1.760 20 5 CDBDHN C[N@H+]1CCCC12CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596183746 343251059 /nfs/dbraw/zinc/25/10/59/343251059.db2.gz ZZTBMOXNNNFDEQ-UHFFFAOYSA-N 0 3 292.339 1.760 20 5 CDBDHN CN[C@@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136475827 342379419 /nfs/dbraw/zinc/37/94/19/342379419.db2.gz NOXZFNGFODYWQZ-ZETCQYMHSA-N 0 3 253.258 1.150 20 5 CDBDHN CC(C)[N@H+](C)C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596235888 343282278 /nfs/dbraw/zinc/28/22/78/343282278.db2.gz BEDRPPTZPCJMRJ-VIFPVBQESA-N 0 3 268.317 1.836 20 5 CDBDHN CC(C)[N@@H+](C)C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596235888 343282280 /nfs/dbraw/zinc/28/22/80/343282280.db2.gz BEDRPPTZPCJMRJ-VIFPVBQESA-N 0 3 268.317 1.836 20 5 CDBDHN C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000090551263 342396504 /nfs/dbraw/zinc/39/65/04/342396504.db2.gz JDUNVIREARACLX-GHMZBOCLSA-N 0 3 265.313 1.344 20 5 CDBDHN COc1cc(C[NH2+][C@@H](C)CCCCO)c([N+](=O)[O-])cc1[O-] ZINC000295048350 199318865 /nfs/dbraw/zinc/31/88/65/199318865.db2.gz NGFYZEHNBREBPU-JTQLQIEISA-N 0 3 298.339 1.950 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCN1CC[C@H](O)C1 ZINC000599018158 343945238 /nfs/dbraw/zinc/94/52/38/343945238.db2.gz FPWICDJQEHTGLD-MFBWXBCUSA-N 0 3 291.351 1.264 20 5 CDBDHN CC(C)[C@@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCN1C ZINC000602629400 344521488 /nfs/dbraw/zinc/52/14/88/344521488.db2.gz GFERUXUBZDJTDK-LBPRGKRZSA-N 0 3 281.360 1.100 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCc1nccs1 ZINC000602803060 344592123 /nfs/dbraw/zinc/59/21/23/344592123.db2.gz YVMJQSXPGOVRAZ-UHFFFAOYSA-N 0 3 295.368 1.731 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(CCOC2)CC1 ZINC000602796331 344587490 /nfs/dbraw/zinc/58/74/90/344587490.db2.gz FIRWQGCKYWJUTO-UHFFFAOYSA-N 0 3 294.355 1.602 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000602826244 344612103 /nfs/dbraw/zinc/61/21/03/344612103.db2.gz JUBCOHJEOONTIA-OLZOCXBDSA-N 0 3 294.355 1.743 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1ncn(C)n1 ZINC000536910958 282348341 /nfs/dbraw/zinc/34/83/41/282348341.db2.gz RRSZGFRGNZIWJP-LLVKDONJSA-N 0 3 289.339 1.925 20 5 CDBDHN CO[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842133 344622241 /nfs/dbraw/zinc/62/22/41/344622241.db2.gz QHZZDMWNSIAYMV-CMPLNLGQSA-N 0 3 282.344 1.457 20 5 CDBDHN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151095622 362624065 /nfs/dbraw/zinc/62/40/65/362624065.db2.gz IVTSIELWZTUFGI-GWCFXTLKSA-N 0 3 277.324 1.866 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@H](O)C1CC1)OCCO2 ZINC000609620503 345979377 /nfs/dbraw/zinc/97/93/77/345979377.db2.gz GNLZSFTXSGMNIJ-LBPRGKRZSA-N 0 3 294.307 1.227 20 5 CDBDHN C[C@](CO)(NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610447863 346283858 /nfs/dbraw/zinc/28/38/58/346283858.db2.gz KUSLJYOZZMAZTF-CQSZACIVSA-N 0 3 290.323 1.289 20 5 CDBDHN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@H](C)CN1 ZINC000086471224 362712593 /nfs/dbraw/zinc/71/25/93/362712593.db2.gz YDGUZZMXFCNKKA-HTQZYQBOSA-N 0 3 281.341 1.491 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1CN1CCCC1 ZINC000614518082 348133113 /nfs/dbraw/zinc/13/31/13/348133113.db2.gz VZUCGJJMMIXRSF-LLVKDONJSA-N 0 3 279.344 1.393 20 5 CDBDHN CCN1CCN(CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000058789723 348870181 /nfs/dbraw/zinc/87/01/81/348870181.db2.gz GMIQQOXPUWEHBP-UHFFFAOYSA-N 0 3 296.346 1.783 20 5 CDBDHN C[C@H](NC(=O)C[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000091300474 180127694 /nfs/dbraw/zinc/12/76/94/180127694.db2.gz WBZWTMIDLNTYJI-GWCFXTLKSA-N 0 3 293.323 1.151 20 5 CDBDHN CCc1nn(C)c(NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000091561285 180191917 /nfs/dbraw/zinc/19/19/17/180191917.db2.gz BUCHKDOMONSQKC-UHFFFAOYSA-N 0 3 267.333 1.397 20 5 CDBDHN C[C@H](N[C@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000105871195 186081214 /nfs/dbraw/zinc/08/12/14/186081214.db2.gz MLYGSBOGPNQUBS-JQWIXIFHSA-N 0 3 287.323 1.852 20 5 CDBDHN CCN1CCC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000311968140 350735068 /nfs/dbraw/zinc/73/50/68/350735068.db2.gz OOLMFEUGEATZKU-VIFPVBQESA-N 0 3 265.317 1.468 20 5 CDBDHN CNC(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000111263822 186382057 /nfs/dbraw/zinc/38/20/57/186382057.db2.gz HSAILVNCYLCZPT-GFCCVEGCSA-N 0 3 277.324 1.553 20 5 CDBDHN CC(C)N(CCN(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000151953746 187988726 /nfs/dbraw/zinc/98/87/26/187988726.db2.gz VZVRNLYMXGQDCQ-UHFFFAOYSA-N 0 3 293.367 1.936 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000112839626 366159099 /nfs/dbraw/zinc/15/90/99/366159099.db2.gz IFQSMYHTDFJCBU-HUUCEWRRSA-N 0 3 291.351 1.548 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)[C@H]2CCCOC2)c(F)c1 ZINC000411994165 363402554 /nfs/dbraw/zinc/40/25/54/363402554.db2.gz MUDFLOFXWYFBFF-SMDDNHRTSA-N 0 3 298.314 1.611 20 5 CDBDHN C[C@](O)(CNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000336699202 356234711 /nfs/dbraw/zinc/23/47/11/356234711.db2.gz JHZYZKCVPJLXSR-NSHDSACASA-N 0 3 256.327 1.907 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](N)CC(F)F ZINC000336839475 356296415 /nfs/dbraw/zinc/29/64/15/356296415.db2.gz ONYICGPIIOCAKL-VIFPVBQESA-N 0 3 287.266 1.536 20 5 CDBDHN Cc1cc(NC[C@]2(O)CCN(C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047311 356476312 /nfs/dbraw/zinc/47/63/12/356476312.db2.gz LANIVWDKOSOVMP-CYBMUJFWSA-N 0 3 283.303 1.521 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC(CCCO)CC2)c1 ZINC000360088954 356721091 /nfs/dbraw/zinc/72/10/91/356721091.db2.gz OLUNALCOBVTFNA-UHFFFAOYSA-N 0 3 282.344 1.276 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134935349 356728998 /nfs/dbraw/zinc/72/89/98/356728998.db2.gz CLYGTJURRMYUOY-UHFFFAOYSA-N 0 3 285.731 1.930 20 5 CDBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000361663362 358410572 /nfs/dbraw/zinc/41/05/72/358410572.db2.gz UCJXVNAEDVYOTG-ZYHUDNBSSA-N 0 3 250.298 1.655 20 5 CDBDHN C[C@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000342365459 359024342 /nfs/dbraw/zinc/02/43/42/359024342.db2.gz WCMGTUWOCSRVHG-UWVGGRQHSA-N 0 3 292.339 1.588 20 5 CDBDHN CCN(C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087356880 359003648 /nfs/dbraw/zinc/00/36/48/359003648.db2.gz IQRXYPYUHUDBCJ-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN CC[C@@H]1CN(CCNCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000487152853 359370913 /nfs/dbraw/zinc/37/09/13/359370913.db2.gz GCFRKGNDRFITOL-OAHLLOKOSA-N 0 3 293.367 1.795 20 5 CDBDHN CC1=CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270135430 359905823 /nfs/dbraw/zinc/90/58/23/359905823.db2.gz HPFCTPONJAFJGB-CQSZACIVSA-N 0 3 292.335 1.987 20 5 CDBDHN C[C@H](CC(N)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135716413 359951144 /nfs/dbraw/zinc/95/11/44/359951144.db2.gz GVIOLWCUIJYEQK-BDAKNGLRSA-N 0 3 251.286 1.509 20 5 CDBDHN COCC(COC)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449544628 360216618 /nfs/dbraw/zinc/21/66/18/360216618.db2.gz QYKZMPPSPOGPND-NSHDSACASA-N 0 3 282.340 1.777 20 5 CDBDHN CC(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000514746917 360217951 /nfs/dbraw/zinc/21/79/51/360217951.db2.gz HOVURIIXRUQMLQ-UHFFFAOYSA-N 0 3 263.297 1.482 20 5 CDBDHN CC(C)N(CCOCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000172622124 360728224 /nfs/dbraw/zinc/72/82/24/360728224.db2.gz PFYNRWUZYWFYTN-UHFFFAOYSA-N 0 3 282.340 1.814 20 5 CDBDHN C[C@@H](C[S@@](C)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000168166637 364126481 /nfs/dbraw/zinc/12/64/81/364126481.db2.gz APWHNVFIKLJWMZ-XYZCENFISA-N 0 3 256.327 1.451 20 5 CDBDHN COC(=O)[C@H](C)CN(CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000175159522 364629906 /nfs/dbraw/zinc/62/99/06/364629906.db2.gz JYQIDRILUARVDY-SNVBAGLBSA-N 0 3 296.327 1.065 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3ccncc3)C2)n1 ZINC000575426885 364861565 /nfs/dbraw/zinc/86/15/65/364861565.db2.gz CKFYYBNWJGWICN-ZDUSSCGKSA-N 0 3 287.323 1.676 20 5 CDBDHN Cc1cc(CNCCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000414320932 241154140 /nfs/dbraw/zinc/15/41/40/241154140.db2.gz BVNSVUWDMOFDDC-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN CN(C)CCO[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000352053597 367679315 /nfs/dbraw/zinc/67/93/15/367679315.db2.gz UUYQCHSTMVEGLB-GFCCVEGCSA-N 0 3 297.330 1.891 20 5 CDBDHN CN1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037562708 369079664 /nfs/dbraw/zinc/07/96/64/369079664.db2.gz YDCVYHZJPZKGDK-UHFFFAOYSA-N 0 3 255.343 1.840 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420632983 244298885 /nfs/dbraw/zinc/29/88/85/244298885.db2.gz ILZCJBWDNFWJFN-NSHDSACASA-N 0 3 292.339 1.224 20 5 CDBDHN Cc1nc(NCCN2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296453038 371767523 /nfs/dbraw/zinc/76/75/23/371767523.db2.gz ITDYYZIIUYIFER-JTQLQIEISA-N 0 3 279.344 1.837 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000133826720 372847354 /nfs/dbraw/zinc/84/73/54/372847354.db2.gz WSDLQWDGYODCOQ-LLVKDONJSA-N 0 3 294.355 1.825 20 5 CDBDHN COCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269672300 373673027 /nfs/dbraw/zinc/67/30/27/373673027.db2.gz VEVUUYIEZCDXOY-OAHLLOKOSA-N 0 3 294.351 1.987 20 5 CDBDHN C[C@H](CN(C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000168983435 373852118 /nfs/dbraw/zinc/85/21/18/373852118.db2.gz DYWBUMPJNMBZBQ-MRVPVSSYSA-N 0 3 266.301 1.056 20 5 CDBDHN C[C@H]1C[C@H](CO)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954312 374307803 /nfs/dbraw/zinc/30/78/03/374307803.db2.gz ZKASMXQBSDMAHF-STQMWFEESA-N 0 3 294.351 1.924 20 5 CDBDHN C[C@@H]1C[C@H](CO)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954310 374308236 /nfs/dbraw/zinc/30/82/36/374308236.db2.gz ZKASMXQBSDMAHF-OLZOCXBDSA-N 0 3 294.351 1.924 20 5 CDBDHN CCC[C@@]1(CO)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000368584246 374320160 /nfs/dbraw/zinc/32/01/60/374320160.db2.gz VTDWFKBIJNQQAI-CYBMUJFWSA-N 0 3 282.344 1.276 20 5 CDBDHN CN1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000114675463 374338781 /nfs/dbraw/zinc/33/87/81/374338781.db2.gz ROOZDRWNIXCQTP-UHFFFAOYSA-N 0 3 292.339 1.171 20 5 CDBDHN CCS(=O)(=O)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000086974347 374408644 /nfs/dbraw/zinc/40/86/44/374408644.db2.gz AGSHQOKGDBCINF-UHFFFAOYSA-N 0 3 286.353 1.509 20 5 CDBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000274532157 374676224 /nfs/dbraw/zinc/67/62/24/374676224.db2.gz YZNLTECEOMTAME-UHFFFAOYSA-N 0 3 250.302 1.520 20 5 CDBDHN CN1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000447808855 374714190 /nfs/dbraw/zinc/71/41/90/374714190.db2.gz WSCIBVZIINIUOF-LLVKDONJSA-N 0 3 279.344 1.917 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CO)[C@H]2CCCO2)c1 ZINC000447904371 374722253 /nfs/dbraw/zinc/72/22/53/374722253.db2.gz JWNHACYRUCMUPE-UONOGXRCSA-N 0 3 296.323 1.103 20 5 CDBDHN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCNCC1 ZINC000019432101 374734627 /nfs/dbraw/zinc/73/46/27/374734627.db2.gz BUSBQDWCTMWHKL-VOTSOKGWSA-N 0 3 275.308 1.430 20 5 CDBDHN CN(C)CCN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256281 374987270 /nfs/dbraw/zinc/98/72/70/374987270.db2.gz IRRYPXHWVCUFQB-UHFFFAOYSA-N 0 3 284.291 1.759 20 5 CDBDHN CCCN(CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299341759 375164322 /nfs/dbraw/zinc/16/43/22/375164322.db2.gz FCCRBCGDRJIOKG-UHFFFAOYSA-N 0 3 265.313 1.926 20 5 CDBDHN COc1ccc(CNC(=O)[C@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000353468117 375614892 /nfs/dbraw/zinc/61/48/92/375614892.db2.gz BTXMEVAUPQQMQC-LLVKDONJSA-N 0 3 295.339 1.593 20 5 CDBDHN CC[C@H](CO)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000294011953 375623029 /nfs/dbraw/zinc/62/30/29/375623029.db2.gz YFPFIRNIHOHCBL-LLVKDONJSA-N 0 3 268.313 1.806 20 5 CDBDHN Cc1nc(NCCN2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000296589001 376548685 /nfs/dbraw/zinc/54/86/85/376548685.db2.gz RUGDSSMTJAPKIW-JTQLQIEISA-N 0 3 279.344 1.980 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](N2CCCCC2)C1 ZINC000264463913 190111641 /nfs/dbraw/zinc/11/16/41/190111641.db2.gz FCYKEGJGOCYBIW-NSHDSACASA-N 0 3 292.339 1.623 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264924979 190144634 /nfs/dbraw/zinc/14/46/34/190144634.db2.gz QSCWXKHZSCSASZ-UHFFFAOYSA-N 0 3 285.731 1.930 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC2(CO)CCCC2)c1 ZINC000053044753 377637049 /nfs/dbraw/zinc/63/70/49/377637049.db2.gz VESWGTXBASIHMA-UHFFFAOYSA-N 0 3 250.298 1.990 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCCN1C ZINC000345290858 377816661 /nfs/dbraw/zinc/81/66/61/377816661.db2.gz MHNSNNPACRSGAL-MWLCHTKSSA-N 0 3 292.339 1.390 20 5 CDBDHN Cc1nn(C)c(NC[C@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267141351 190306257 /nfs/dbraw/zinc/30/62/57/190306257.db2.gz XYFSZNVPNDDSRW-GFCCVEGCSA-N 0 3 299.400 1.486 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCN2CCCOCC2)cc1 ZINC000289389691 285114452 /nfs/dbraw/zinc/11/44/52/285114452.db2.gz DTPHTQRDIXUTAQ-UHFFFAOYSA-N 0 3 279.340 1.407 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@]2(CCO)CCOC2)cc1 ZINC000278536094 285115704 /nfs/dbraw/zinc/11/57/04/285115704.db2.gz WEGGKFHTHIJJOX-CYBMUJFWSA-N 0 3 266.297 1.226 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186873934 390144737 /nfs/dbraw/zinc/14/47/37/390144737.db2.gz LTADVVNXZNBPPC-RISCZKNCSA-N 0 3 280.324 1.676 20 5 CDBDHN COc1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1[O-] ZINC000599007399 390319907 /nfs/dbraw/zinc/31/99/07/390319907.db2.gz QHTIYOFXNZUAJM-WAAGHKOSSA-N 0 3 282.296 1.170 20 5 CDBDHN Cc1c(C(=O)N2CCN[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000262778932 390939449 /nfs/dbraw/zinc/93/94/49/390939449.db2.gz LYUZFYWCAPRXMH-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000416288277 391983417 /nfs/dbraw/zinc/98/34/17/391983417.db2.gz GQQMXBBJACQMFG-UHFFFAOYSA-N 0 3 263.297 1.419 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(C)C1=O ZINC000449179065 392047337 /nfs/dbraw/zinc/04/73/37/392047337.db2.gz VDKSLVMKCNFGBH-WCQYABFASA-N 0 3 291.351 1.736 20 5 CDBDHN NC(=O)c1ccc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459770047 392504652 /nfs/dbraw/zinc/50/46/52/392504652.db2.gz GWTSUMVWOODVAL-JIMOISOXSA-N 0 3 289.335 1.972 20 5 CDBDHN NC(=O)[C@H]1CC[C@H](CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000421361003 392933644 /nfs/dbraw/zinc/93/36/44/392933644.db2.gz KAPWJVFNNJIVQN-HAQNSBGRSA-N 0 3 291.351 1.976 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000422013693 392950570 /nfs/dbraw/zinc/95/05/70/392950570.db2.gz DBOOWUKYHRGIPS-VIFPVBQESA-N 0 3 266.301 1.089 20 5 CDBDHN Cc1cc(C(=O)N[C@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000449657768 393137532 /nfs/dbraw/zinc/13/75/32/393137532.db2.gz QQXLRIYZOXQHLL-NSHDSACASA-N 0 3 299.277 1.630 20 5 CDBDHN COCCNCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000216078196 140162024 /nfs/dbraw/zinc/16/20/24/140162024.db2.gz QMUZJLAHNUXWIF-UHFFFAOYSA-N 0 3 290.323 1.791 20 5 CDBDHN Cc1c([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cnn1C ZINC000180965835 148171258 /nfs/dbraw/zinc/17/12/58/148171258.db2.gz GTKLVSMBTWUDDV-VIFPVBQESA-N 0 3 278.316 1.184 20 5 CDBDHN CC[C@H](N[C@@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323370684 149264211 /nfs/dbraw/zinc/26/42/11/149264211.db2.gz DYQHDAGOIQMETC-XQQFMLRXSA-N 0 3 266.297 1.395 20 5 CDBDHN Cc1c([C@@H](C)N[C@@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000343096196 152029329 /nfs/dbraw/zinc/02/93/29/152029329.db2.gz MDINSJGVDDXVMD-WCBMZHEXSA-N 0 3 265.313 1.818 20 5 CDBDHN Cc1nn(C)c(N[C@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000343596372 152238067 /nfs/dbraw/zinc/23/80/67/152238067.db2.gz HCACDTPPAHQYGB-UWVGGRQHSA-N 0 3 267.333 1.531 20 5 CDBDHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)C1 ZINC000346313527 153136061 /nfs/dbraw/zinc/13/60/61/153136061.db2.gz GIFMOQYMXRRURX-AWEZNQCLSA-N 0 3 292.339 1.101 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@]1(CO)CCOC1 ZINC000359576687 158293382 /nfs/dbraw/zinc/29/33/82/158293382.db2.gz FFMHMCPDJOSQQQ-CQSZACIVSA-N 0 3 296.323 1.057 20 5 CDBDHN CSc1cccc(C(=O)NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000362842951 159250462 /nfs/dbraw/zinc/25/04/62/159250462.db2.gz NBARHYBJZIKSIS-VIFPVBQESA-N 0 3 297.380 1.997 20 5 CDBDHN CN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020495510 171227392 /nfs/dbraw/zinc/22/73/92/171227392.db2.gz XFXSICIANCTXCV-UHFFFAOYSA-N 0 3 277.324 1.301 20 5 CDBDHN CC(C)C(=O)NCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268007 196237011 /nfs/dbraw/zinc/23/70/11/196237011.db2.gz QQHXMEQWBWEXEP-JTQLQIEISA-N 0 3 294.355 1.600 20 5 CDBDHN CO[C@H](C)CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550160 196323589 /nfs/dbraw/zinc/32/35/89/196323589.db2.gz GJKMUONQOMTPNW-DGCLKSJQSA-N 0 3 298.339 1.301 20 5 CDBDHN C[C@H](NCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000038047386 174056991 /nfs/dbraw/zinc/05/69/91/174056991.db2.gz LMCUBJZADDVZIR-JTQLQIEISA-N 0 3 286.353 1.680 20 5 CDBDHN COC[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000038079337 174089390 /nfs/dbraw/zinc/08/93/90/174089390.db2.gz KEKZLUPTLZLFPV-SNVBAGLBSA-N 0 3 254.286 1.598 20 5 CDBDHN COC[C@@H](O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071267736 176100967 /nfs/dbraw/zinc/10/09/67/176100967.db2.gz UZLOXMADMZSPPG-JQWIXIFHSA-N 0 3 268.313 1.561 20 5 CDBDHN CN1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000248891152 277182015 /nfs/dbraw/zinc/18/20/15/277182015.db2.gz AZHGJHIJSSFLIN-UWVGGRQHSA-N 0 3 282.369 1.972 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1C ZINC000278020504 281257596 /nfs/dbraw/zinc/25/75/96/281257596.db2.gz QCAOPQHQRISSFT-LLVKDONJSA-N 0 3 277.324 1.727 20 5 CDBDHN COCC(C)(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000154873592 289220357 /nfs/dbraw/zinc/22/03/57/289220357.db2.gz QACCXDQFCFMDNL-UHFFFAOYSA-N 0 3 295.339 1.572 20 5 CDBDHN CN(C)[C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255770568 289385947 /nfs/dbraw/zinc/38/59/47/289385947.db2.gz IYMWEFCPKMBCND-AFNCTOJWSA-N 0 3 289.335 1.771 20 5 CDBDHN CC(C)(C)N1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000551899977 290023634 /nfs/dbraw/zinc/02/36/34/290023634.db2.gz KDHVMCLYFRGVFA-UHFFFAOYSA-N 0 3 295.343 1.264 20 5 CDBDHN CSC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000564862369 293436428 /nfs/dbraw/zinc/43/64/28/293436428.db2.gz CSXGBYBNHNUZKP-LLVKDONJSA-N 0 3 270.354 1.717 20 5 CDBDHN CO[C@@H]1COC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000574516580 295011309 /nfs/dbraw/zinc/01/13/09/295011309.db2.gz LZELCVHQAXXMNE-CHWSQXEVSA-N 0 3 266.297 1.141 20 5 CDBDHN C[C@@H](C(=O)NC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000579427529 324181540 /nfs/dbraw/zinc/18/15/40/324181540.db2.gz MTGQQCNVJVFNDR-LLVKDONJSA-N 0 3 291.351 1.909 20 5 CDBDHN CCOC1CC2(C1)CCN(CCn1cc([N+](=O)[O-])cn1)C2 ZINC000367759231 521654240 /nfs/dbraw/zinc/65/42/40/521654240.db2.gz XNOAKIZAPBANRU-UHFFFAOYSA-N 0 3 294.355 1.682 20 5 CDBDHN COC(=O)[C@@H](C)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000067651509 523500523 /nfs/dbraw/zinc/50/05/23/523500523.db2.gz RONDMWFAZMJOSW-NSHDSACASA-N 0 3 296.323 1.715 20 5 CDBDHN CN1CCN(CCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC000020128512 523898838 /nfs/dbraw/zinc/89/88/38/523898838.db2.gz NWCWRBQPNYSGOK-UHFFFAOYSA-N 0 3 292.383 1.322 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)C(C)C ZINC000156402666 526079764 /nfs/dbraw/zinc/07/97/64/526079764.db2.gz JPVMDBXDPHXVJU-CYBMUJFWSA-N 0 3 295.339 1.448 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1COCCO1 ZINC000338715467 527397793 /nfs/dbraw/zinc/39/77/93/527397793.db2.gz GOGNJMMCDBRIII-DXTPNHAXSA-N 0 3 278.308 1.613 20 5 CDBDHN Cc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])c(=O)[nH]1 ZINC000813104268 617343025 /nfs/dbraw/zinc/34/30/25/617343025.db2.gz LFHVAHWGIRFLAS-MRVPVSSYSA-N 0 3 254.242 1.226 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCNCc2c[nH]cn2)cc1 ZINC000894229425 618738916 /nfs/dbraw/zinc/73/89/16/618738916.db2.gz RBXHZUOTTIBFLP-UHFFFAOYSA-N 0 3 262.269 1.487 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCNCc2cnc[nH]2)cc1 ZINC000894229425 618738920 /nfs/dbraw/zinc/73/89/20/618738920.db2.gz RBXHZUOTTIBFLP-UHFFFAOYSA-N 0 3 262.269 1.487 20 5 CDBDHN NC(=O)CC1(CNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000894967610 619165922 /nfs/dbraw/zinc/16/59/22/619165922.db2.gz NHDPXRUSAHTORC-UHFFFAOYSA-N 0 3 297.742 1.993 20 5 CDBDHN CN1CC[C@@H]2CC[C@H](C1)N2c1ncc([N+](=O)[O-])cc1F ZINC000895192320 619442894 /nfs/dbraw/zinc/44/28/94/619442894.db2.gz ZFGUHVYNRIXPBC-VHSXEESVSA-N 0 3 280.303 1.802 20 5 CDBDHN COc1ccc(CCNCC[N+](=O)[O-])cc1OC(F)F ZINC000905090315 626605038 /nfs/dbraw/zinc/60/50/38/626605038.db2.gz RLRHOQLVAFPPLO-UHFFFAOYSA-N 0 3 290.266 1.705 20 5 CDBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H](C)C1 ZINC000910287418 628963570 /nfs/dbraw/zinc/96/35/70/628963570.db2.gz GUPBPFYZSXHMEI-JTQLQIEISA-N 0 3 280.328 1.479 20 5 CDBDHN CC(COC(=O)c1ccc2[nH]c(=O)n(C)c2c1)[N+](=O)[O-] ZINC000813112268 695193230 /nfs/dbraw/zinc/19/32/30/695193230.db2.gz OULFSRSJTXMFPX-SSDOTTSWSA-N 0 3 279.252 1.101 20 5 CDBDHN CC(COC(=O)CCCC(=O)C(C)(C)C)[N+](=O)[O-] ZINC000835454978 695336543 /nfs/dbraw/zinc/33/65/43/695336543.db2.gz LTIJYCHZFDIOCI-SECBINFHSA-N 0 3 259.302 1.980 20 5 CDBDHN CCN(C)C(=O)CN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340102 695708395 /nfs/dbraw/zinc/70/83/95/695708395.db2.gz BWNDRAAJFITWLB-SNVBAGLBSA-N 0 3 297.330 1.733 20 5 CDBDHN COc1cccc2c1OCC(C(=O)OCC(C)[N+](=O)[O-])=C2 ZINC000813113910 695713563 /nfs/dbraw/zinc/71/35/63/695713563.db2.gz VZHWKEQNLIMWKR-VIFPVBQESA-N 0 3 293.275 1.679 20 5 CDBDHN Cc1ccn(C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000870378899 695765170 /nfs/dbraw/zinc/76/51/70/695765170.db2.gz ZZSAZHJWSAMVNB-WCBMZHEXSA-N 0 3 255.274 1.036 20 5 CDBDHN O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CCCN1CCCO ZINC000882409953 695888656 /nfs/dbraw/zinc/88/86/56/695888656.db2.gz SQTWZIQDJIZWQP-JTQLQIEISA-N 0 3 298.318 1.388 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCC[S@@](C)=O ZINC000873054304 695916724 /nfs/dbraw/zinc/91/67/24/695916724.db2.gz URDCTPIYNVCCSX-GOSISDBHSA-N 0 3 270.354 1.680 20 5 CDBDHN CCc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000819055776 696021352 /nfs/dbraw/zinc/02/13/52/696021352.db2.gz YTZZGHDQLBFNTE-AWEZNQCLSA-N 0 3 290.323 1.704 20 5 CDBDHN CCc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819055776 696021356 /nfs/dbraw/zinc/02/13/56/696021356.db2.gz YTZZGHDQLBFNTE-AWEZNQCLSA-N 0 3 290.323 1.704 20 5 CDBDHN COC1CCN(CCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804538367 1162485347 /nfs/dbraw/zinc/48/53/47/1162485347.db2.gz OMODQIJGUHXMAF-UHFFFAOYSA-N 0 3 294.355 1.700 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000401236090 1186407543 /nfs/dbraw/zinc/40/75/43/1186407543.db2.gz RGVUMPOJFGTHGY-VGMNWLOBSA-N 0 3 283.353 1.867 20 5 CDBDHN COc1ccc(/C=C/C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813115606 724387261 /nfs/dbraw/zinc/38/72/61/724387261.db2.gz WDDUQEXDFZUNIE-STUBTGCMSA-N 0 3 295.291 1.925 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882473773 723698146 /nfs/dbraw/zinc/69/81/46/723698146.db2.gz WAOPQNXSVLUCHL-SECBINFHSA-N 0 3 268.292 1.659 20 5 CDBDHN COC1([C@H](C)NCc2cccnc2[N+](=O)[O-])CCOCC1 ZINC000886252086 723810297 /nfs/dbraw/zinc/81/02/97/723810297.db2.gz SNXAQDHBLSUUJQ-NSHDSACASA-N 0 3 295.339 1.664 20 5 CDBDHN CC(COC(=O)c1cccc(-c2cnn(C)c2)c1)[N+](=O)[O-] ZINC000813102343 723972407 /nfs/dbraw/zinc/97/24/07/723972407.db2.gz PWAYEUVLRAQSRU-JTQLQIEISA-N 0 3 289.291 1.909 20 5 CDBDHN CC(COC(=O)c1cnn(-c2ccccc2)c1)[N+](=O)[O-] ZINC000813104307 724355696 /nfs/dbraw/zinc/35/56/96/724355696.db2.gz MEFBFSISVPODBC-JTQLQIEISA-N 0 3 275.264 1.694 20 5 CDBDHN COC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000870376192 724358138 /nfs/dbraw/zinc/35/81/38/724358138.db2.gz CUAMAMKUVXEWMK-VIFPVBQESA-N 0 3 281.264 1.604 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])n1cc([C@H](C)N)nn1 ZINC000881277721 723754753 /nfs/dbraw/zinc/75/47/53/723754753.db2.gz KCZMTHIDLMTKHP-DTWKUNHWSA-N 0 3 261.285 1.815 20 5 CDBDHN CC(COC(=O)Cc1ccc2c(c1)CCCO2)[N+](=O)[O-] ZINC000842802199 723778845 /nfs/dbraw/zinc/77/88/45/723778845.db2.gz SRKNVGDJJBJUDN-SNVBAGLBSA-N 0 3 279.292 1.763 20 5 CDBDHN CC(COC(=O)c1ncnc2ccsc21)[N+](=O)[O-] ZINC000851035841 725052511 /nfs/dbraw/zinc/05/25/11/725052511.db2.gz BHGRBPQKKJCNEZ-ZCFIWIBFSA-N 0 3 267.266 1.513 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000886081078 725373521 /nfs/dbraw/zinc/37/35/21/725373521.db2.gz IPJOHDQHWONLGC-DGCLKSJQSA-N 0 3 277.324 1.848 20 5 CDBDHN CC(COC(=O)c1cncnc1-c1ccccc1)[N+](=O)[O-] ZINC000813108469 725894843 /nfs/dbraw/zinc/89/48/43/725894843.db2.gz YURDTVFRYRIWJF-SNVBAGLBSA-N 0 3 287.275 1.966 20 5 CDBDHN CCN1CCC[C@@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225629101 903402522 /nfs/dbraw/zinc/40/25/22/903402522.db2.gz DQVNOEUAOPMHOZ-SNVBAGLBSA-N 0 3 251.286 1.853 20 5 CDBDHN CN1CCN(C(=N)Nc2cnc(Cl)cc2[N+](=O)[O-])CC1 ZINC001168734909 921811999 /nfs/dbraw/zinc/81/19/99/921811999.db2.gz DGPWFYJHWXGNEW-UHFFFAOYSA-N 0 3 298.734 1.237 20 5 CDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@]1(C)CCCN(C)C1 ZINC001162337520 922341469 /nfs/dbraw/zinc/34/14/69/922341469.db2.gz PXFHOHXNFNOXHF-ZDUSSCGKSA-N 0 3 280.328 1.433 20 5 CDBDHN CN(CCN1CCCC1)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001165140307 924982946 /nfs/dbraw/zinc/98/29/46/924982946.db2.gz SUHKHPJBUHJKAR-UHFFFAOYSA-N 0 3 295.299 1.430 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ncc(F)cc2F)C1 ZINC001168977487 927563237 /nfs/dbraw/zinc/56/32/37/927563237.db2.gz KFTFTTXLUKKOHE-SCZZXKLOSA-N 0 3 271.267 1.895 20 5 CDBDHN COc1ccnc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001169228285 927830510 /nfs/dbraw/zinc/83/05/10/927830510.db2.gz OEYKHELTMGVZRX-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN C[C@H](N)c1ccn(-c2nc(Cl)ccc2[N+](=O)[O-])n1 ZINC001169232222 927840141 /nfs/dbraw/zinc/84/01/41/927840141.db2.gz BADGIVVEJDJBIJ-LURJTMIESA-N 0 3 267.676 1.849 20 5 CDBDHN COc1cnc(N[C@@]2(C)CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001162340546 939029830 /nfs/dbraw/zinc/02/98/30/939029830.db2.gz DRVAXQCLRGJICD-ZDUSSCGKSA-N 0 3 280.328 1.895 20 5 CDBDHN NCc1ccnn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001162594070 939099367 /nfs/dbraw/zinc/09/93/67/939099367.db2.gz YZAYEBOFBPOTLU-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CCN(CC)CCNC(=N)Nc1ncc(F)cc1[N+](=O)[O-] ZINC001163122268 939204018 /nfs/dbraw/zinc/20/40/18/939204018.db2.gz FZABUZCRGKWGTE-UHFFFAOYSA-N 0 3 298.322 1.407 20 5 CDBDHN COc1cc(CO[C@H]2CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC001223905082 941706041 /nfs/dbraw/zinc/70/60/41/941706041.db2.gz BLPSNQMTGWPYOP-NSHDSACASA-N 0 3 296.323 1.833 20 5 CDBDHN Cc1cc(O[C@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC001225660065 941895052 /nfs/dbraw/zinc/89/50/52/941895052.db2.gz BBUJRNWFRIZPNL-JTQLQIEISA-N 0 3 251.286 1.771 20 5 CDBDHN CCC(=O)NCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001230960516 942743174 /nfs/dbraw/zinc/74/31/74/942743174.db2.gz MGQVDDWVIIERRV-UHFFFAOYSA-N 0 3 279.340 1.943 20 5 CDBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2cccc(F)c2[n-]1 ZINC001233929942 943693739 /nfs/dbraw/zinc/69/37/39/943693739.db2.gz KQSRBWSGMGUNGP-SECBINFHSA-N 0 3 296.322 1.065 20 5 CDBDHN C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2c(cccc2F)[n-]1 ZINC001233929942 943693741 /nfs/dbraw/zinc/69/37/41/943693741.db2.gz KQSRBWSGMGUNGP-SECBINFHSA-N 0 3 296.322 1.065 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C)C1=O ZINC001254536792 947516165 /nfs/dbraw/zinc/51/61/65/947516165.db2.gz TVAWREZDNVEODA-ZYHUDNBSSA-N 0 3 277.324 1.346 20 5 CDBDHN NCc1ccn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254584431 947539480 /nfs/dbraw/zinc/53/94/80/947539480.db2.gz SFHDRHJNPCIFBR-CYBMUJFWSA-N 0 3 258.281 1.590 20 5 CDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@H]3C[C@H]3N2)n1 ZINC001247620492 948684430 /nfs/dbraw/zinc/68/44/30/948684430.db2.gz AHIAFUUFMWZGRL-NJUXHZRNSA-N 0 3 291.242 1.602 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1NC(C)(C)O[C@@H]1C ZINC001578361257 1171884890 /nfs/dbraw/zinc/88/48/90/1171884890.db2.gz HKBLMZIDLINFBC-NXEZZACHSA-N 0 3 297.359 1.645 20 5 CDBDHN CN1CC[C@@H]2CN(c3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601183693 342489180 /nfs/dbraw/zinc/48/91/80/342489180.db2.gz CIZAJQLMMIKUQZ-MNOVXSKESA-N 0 3 262.313 1.378 20 5 CDBDHN C[C@@H](NC[C@@H]1CCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000591243901 342622565 /nfs/dbraw/zinc/62/25/65/342622565.db2.gz OOSOGZUBKNXKIX-PWSUYJOCSA-N 0 3 277.324 1.772 20 5 CDBDHN COCCN(CCOC)CCOc1cccc([N+](=O)[O-])c1 ZINC000046054080 342127637 /nfs/dbraw/zinc/12/76/37/342127637.db2.gz HMLAOSUDKZSQTN-UHFFFAOYSA-N 0 3 298.339 1.568 20 5 CDBDHN CC(C)[C@@H](N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651756 342933373 /nfs/dbraw/zinc/93/33/73/342933373.db2.gz GSWVUHXTZJJEFF-GFCCVEGCSA-N 0 3 277.284 1.537 20 5 CDBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C1(CO)CC1 ZINC000594970356 342991726 /nfs/dbraw/zinc/99/17/26/342991726.db2.gz ZBUFULIKKAWECF-VIFPVBQESA-N 0 3 268.288 1.985 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595805993 343158911 /nfs/dbraw/zinc/15/89/11/343158911.db2.gz CQIXFAYQVMQUKG-YRGRVCCFSA-N 0 3 292.335 1.676 20 5 CDBDHN C[C@@H](CN1CCC(C)CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000596488842 343329500 /nfs/dbraw/zinc/32/95/00/343329500.db2.gz SCOGCVDXFWMNQZ-NSHDSACASA-N 0 3 281.360 1.861 20 5 CDBDHN Nc1ccc(N[C@@H]2CCCN3CCCC[C@H]23)nc1[N+](=O)[O-] ZINC000596298620 343291649 /nfs/dbraw/zinc/29/16/49/343291649.db2.gz YXEIUGGHOIVMCL-VXGBXAGGSA-N 0 3 291.355 1.423 20 5 CDBDHN O=[N+]([O-])c1ccc2oc(CNCCN3CCCC3)nc2c1 ZINC000602586737 344478036 /nfs/dbraw/zinc/47/80/36/344478036.db2.gz NVPBTQZURXCYMA-UHFFFAOYSA-N 0 3 290.323 1.921 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@H]1C ZINC000602778645 344594490 /nfs/dbraw/zinc/59/44/90/344594490.db2.gz MSOFMKSXSXDTGF-VHSXEESVSA-N 0 3 252.318 1.830 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CCC[C@@H]1O ZINC000602795568 344586346 /nfs/dbraw/zinc/58/63/46/344586346.db2.gz NMMDFAIHNRZOBX-NEPJUHHUSA-N 0 3 282.344 1.193 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([C@@H](C)O)C1 ZINC000602798629 344589402 /nfs/dbraw/zinc/58/94/02/344589402.db2.gz QXSWDFSSAZWXAP-ZYHUDNBSSA-N 0 3 282.344 1.193 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1[C@H](C)CO ZINC000602881632 344633379 /nfs/dbraw/zinc/63/33/79/344633379.db2.gz GHEYPWYHQWQDAP-YPMHNXCESA-N 0 3 296.371 1.583 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CSCCN2)c(F)c1 ZINC000603418286 344807664 /nfs/dbraw/zinc/80/76/64/344807664.db2.gz FQDIWAVNZPFOJL-MRVPVSSYSA-N 0 3 271.317 1.851 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)c1cccnc1[N+](=O)[O-] ZINC000609670898 345988746 /nfs/dbraw/zinc/98/87/46/345988746.db2.gz RBHUMZAQKGGCDY-NSHDSACASA-N 0 3 264.329 1.768 20 5 CDBDHN CC[C@H](CN1CCCC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609877991 346031165 /nfs/dbraw/zinc/03/11/65/346031165.db2.gz SAOUFMGTPXDERW-LLVKDONJSA-N 0 3 294.355 1.538 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCN(CCCO)C1 ZINC000295138142 199366628 /nfs/dbraw/zinc/36/66/28/199366628.db2.gz PLULWIKNBQVDFP-CQSZACIVSA-N 0 3 293.367 1.531 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H]2CO)cc1 ZINC000067386903 347553537 /nfs/dbraw/zinc/55/35/37/347553537.db2.gz HEZFNKIZVDOWDQ-CYBMUJFWSA-N 0 3 280.324 1.820 20 5 CDBDHN CO[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273421777 192145368 /nfs/dbraw/zinc/14/53/68/192145368.db2.gz ZAMKFAZQBRJVNL-NEPJUHHUSA-N 0 3 296.323 1.055 20 5 CDBDHN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000273449370 192154950 /nfs/dbraw/zinc/15/49/50/192154950.db2.gz OJFCCHJCHLIOOJ-SNVBAGLBSA-N 0 3 298.364 1.757 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000054773805 349411123 /nfs/dbraw/zinc/41/11/23/349411123.db2.gz WBUURCCFKGLSOT-JTQLQIEISA-N 0 3 295.314 1.948 20 5 CDBDHN Cc1c(CN(CCO)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000289661321 363167424 /nfs/dbraw/zinc/16/74/24/363167424.db2.gz FIUQHCJKUAZBAA-SNVBAGLBSA-N 0 3 268.313 1.078 20 5 CDBDHN CCOC[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154400037 188139778 /nfs/dbraw/zinc/13/97/78/188139778.db2.gz OBRFSOIJBRRBNZ-DOMZBBRYSA-N 0 3 294.351 1.987 20 5 CDBDHN CN1CCC[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000134612076 356362373 /nfs/dbraw/zinc/36/23/73/356362373.db2.gz AFRIGMZBTVYYDN-SNVBAGLBSA-N 0 3 250.302 1.744 20 5 CDBDHN CN(CCNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000059931491 356372001 /nfs/dbraw/zinc/37/20/01/356372001.db2.gz INUDOEDTAGSZGJ-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)C1CCOCC1 ZINC000359868374 356429555 /nfs/dbraw/zinc/42/95/55/356429555.db2.gz GBIVTILDLHOTQQ-ZDUSSCGKSA-N 0 3 280.324 1.472 20 5 CDBDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659657 192250596 /nfs/dbraw/zinc/25/05/96/192250596.db2.gz VVBZDHICHWPFSN-GHMZBOCLSA-N 0 3 279.344 1.917 20 5 CDBDHN Cc1c(CN[C@@H](CO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000359898354 356438152 /nfs/dbraw/zinc/43/81/52/356438152.db2.gz UEVBGBIMDSFREH-AWEZNQCLSA-N 0 3 294.351 1.780 20 5 CDBDHN CC[C@H](CCO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134986537 356916172 /nfs/dbraw/zinc/91/61/72/356916172.db2.gz SIPGLAQKZXSNEV-LLVKDONJSA-N 0 3 268.313 1.854 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC(O)CC2)cc1 ZINC000048335001 357178297 /nfs/dbraw/zinc/17/82/97/357178297.db2.gz AFCQQOBSRRLREM-UHFFFAOYSA-N 0 3 250.298 1.594 20 5 CDBDHN CCN(CC)CCSc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290735476 357500054 /nfs/dbraw/zinc/50/00/54/357500054.db2.gz GOPNVBJXVQTTKU-UHFFFAOYSA-N 0 3 298.368 1.523 20 5 CDBDHN C[C@H](NCCN1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000361106259 357800563 /nfs/dbraw/zinc/80/05/63/357800563.db2.gz FIGRHLRFJMXKGC-STQMWFEESA-N 0 3 293.367 1.966 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@H]2CC[C@@H](O)C2)cs1 ZINC000188816070 357940511 /nfs/dbraw/zinc/94/05/11/357940511.db2.gz IIYPIHWPNOQMCF-WCBMZHEXSA-N 0 3 256.327 1.907 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)CN(C)C1CC1 ZINC000290767432 358152626 /nfs/dbraw/zinc/15/26/26/358152626.db2.gz KXRMWEYLTSBFFP-ZDUSSCGKSA-N 0 3 280.324 1.737 20 5 CDBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000361662666 358410148 /nfs/dbraw/zinc/41/01/48/358410148.db2.gz RBDZWIOATITVRA-ZYHUDNBSSA-N 0 3 250.298 1.655 20 5 CDBDHN CC[C@@H](C)N(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000287427048 358573063 /nfs/dbraw/zinc/57/30/63/358573063.db2.gz PHEQHMGNAMQORD-RISCZKNCSA-N 0 3 282.340 1.721 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC(n3ccnc3)CC2)n1 ZINC000176238378 358745862 /nfs/dbraw/zinc/74/58/62/358745862.db2.gz ZJPWWLXRWGRXLJ-UHFFFAOYSA-N 0 3 290.327 1.325 20 5 CDBDHN C[C@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000119861153 359030626 /nfs/dbraw/zinc/03/06/26/359030626.db2.gz GOENIQKUSWSISQ-QMMMGPOBSA-N 0 3 251.286 1.293 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000451700563 359072677 /nfs/dbraw/zinc/07/26/77/359072677.db2.gz XVODCFOIYZWUMU-BZPMIXESSA-N 0 3 294.355 1.274 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000119977766 359052767 /nfs/dbraw/zinc/05/27/67/359052767.db2.gz HDWMOGBUXRNAFY-VIFPVBQESA-N 0 3 256.331 1.229 20 5 CDBDHN CCCN(C)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338333923 359118964 /nfs/dbraw/zinc/11/89/64/359118964.db2.gz WWDZTEJLZBAHRM-UHFFFAOYSA-N 0 3 293.367 1.938 20 5 CDBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCN1 ZINC000050015901 359275799 /nfs/dbraw/zinc/27/57/99/359275799.db2.gz JYFXWXVQHQXNBD-NSHDSACASA-N 0 3 263.297 1.353 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)N1C ZINC000339618065 359416402 /nfs/dbraw/zinc/41/64/02/359416402.db2.gz ALDDRODAMPMEBU-CHWSQXEVSA-N 0 3 293.367 1.998 20 5 CDBDHN CCN(CCOc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000339632600 359420459 /nfs/dbraw/zinc/42/04/59/359420459.db2.gz DHCUQMLYFHBNBA-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN Cc1nc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553303 200225819 /nfs/dbraw/zinc/22/58/19/200225819.db2.gz QYPNUBDNSVYRQF-PSASIEDQSA-N 0 3 277.328 1.730 20 5 CDBDHN CC(C)(C)[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000178869251 189151618 /nfs/dbraw/zinc/15/16/18/189151618.db2.gz GARGQAGSIITDBI-NEPJUHHUSA-N 0 3 295.339 1.118 20 5 CDBDHN CC[C@H](N)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000269068692 366785431 /nfs/dbraw/zinc/78/54/31/366785431.db2.gz YGIXLPRKDBHWDG-NSHDSACASA-N 0 3 285.731 1.944 20 5 CDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000294852944 361459228 /nfs/dbraw/zinc/45/92/28/361459228.db2.gz CHKWXFXEGQOFTK-LLVKDONJSA-N 0 3 276.340 1.910 20 5 CDBDHN COc1nccc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000295261698 363969103 /nfs/dbraw/zinc/96/91/03/363969103.db2.gz VAPYSDPZBPZKNW-UHFFFAOYSA-N 0 3 288.307 1.726 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000345826266 364025662 /nfs/dbraw/zinc/02/56/62/364025662.db2.gz PYEFMVLNVNQUHN-VXGBXAGGSA-N 0 3 277.324 1.599 20 5 CDBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])cn2C)CCC1 ZINC000545959731 364793524 /nfs/dbraw/zinc/79/35/24/364793524.db2.gz SCLPSGMAKOMEII-UHFFFAOYSA-N 0 3 280.328 1.147 20 5 CDBDHN NC(=O)C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367710482 364824744 /nfs/dbraw/zinc/82/47/44/364824744.db2.gz YUAUZLAECOMZHH-OGOUPESXSA-N 0 3 289.335 1.805 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000457083760 365380361 /nfs/dbraw/zinc/38/03/61/365380361.db2.gz KTWBSUIHXPQTBV-SNVBAGLBSA-N 0 3 281.312 1.743 20 5 CDBDHN CS[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271117089 366969354 /nfs/dbraw/zinc/96/93/54/366969354.db2.gz RBAOQKSDXQFGSO-MNOVXSKESA-N 0 3 296.396 1.780 20 5 CDBDHN C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000272471892 367739536 /nfs/dbraw/zinc/73/95/36/367739536.db2.gz ABHGYYFPJWGENV-GHMZBOCLSA-N 0 3 292.339 1.216 20 5 CDBDHN C[C@H](O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634749 367785878 /nfs/dbraw/zinc/78/58/78/367785878.db2.gz WTSZOZJRJNGILX-RYUDHWBXSA-N 0 3 280.324 1.676 20 5 CDBDHN CNC(=O)CCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000170781250 369050498 /nfs/dbraw/zinc/05/04/98/369050498.db2.gz KOVUBCFWUDXKGM-UHFFFAOYSA-N 0 3 281.312 1.042 20 5 CDBDHN CCN1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000330701899 203131671 /nfs/dbraw/zinc/13/16/71/203131671.db2.gz HRXNYYZLPKNAOG-JTQLQIEISA-N 0 3 295.343 1.231 20 5 CDBDHN COCC[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547395743 374159997 /nfs/dbraw/zinc/15/99/97/374159997.db2.gz NIXQQDCYEHOXLO-VXGBXAGGSA-N 0 3 282.340 1.951 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC000420899131 374304189 /nfs/dbraw/zinc/30/41/89/374304189.db2.gz GMFGUMHCOYPQEL-KLPPZKSPSA-N 0 3 250.298 1.798 20 5 CDBDHN CCC[C@@](C)(N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423825228 246121959 /nfs/dbraw/zinc/12/19/59/246121959.db2.gz KPIROHNZFXANRN-CQSZACIVSA-N 0 3 292.339 1.392 20 5 CDBDHN CC[C@@H](NC[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523856 374388427 /nfs/dbraw/zinc/38/84/27/374388427.db2.gz NUJZHNCRLJXNHQ-ZIAGYGMSSA-N 0 3 279.340 1.624 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCN1C ZINC000092623059 374699745 /nfs/dbraw/zinc/69/97/45/374699745.db2.gz IAVRLVBENRLFKS-SNVBAGLBSA-N 0 3 250.302 1.804 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000274551868 374675344 /nfs/dbraw/zinc/67/53/44/374675344.db2.gz HZYFUURVTNACEM-UHFFFAOYSA-N 0 3 266.301 1.089 20 5 CDBDHN CO[C@H]1COCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000449462752 374811032 /nfs/dbraw/zinc/81/10/32/374811032.db2.gz VQBFICDHEWNIIR-RISCZKNCSA-N 0 3 298.314 1.875 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000125239003 374981970 /nfs/dbraw/zinc/98/19/70/374981970.db2.gz VMJBHCXTINQJST-YUTCNCBUSA-N 0 3 262.309 1.798 20 5 CDBDHN CC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282465535 375088365 /nfs/dbraw/zinc/08/83/65/375088365.db2.gz NETZSUCUFXUZPN-ZDUSSCGKSA-N 0 3 252.314 1.840 20 5 CDBDHN CCOC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282529872 375093144 /nfs/dbraw/zinc/09/31/44/375093144.db2.gz UWJGYULBKFNCLC-AWEZNQCLSA-N 0 3 282.340 1.467 20 5 CDBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000353210691 375587551 /nfs/dbraw/zinc/58/75/51/375587551.db2.gz ZVOYJKUZQXDORJ-ZIAGYGMSSA-N 0 3 280.324 1.878 20 5 CDBDHN COC(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000496314321 375732943 /nfs/dbraw/zinc/73/29/43/375732943.db2.gz ZOBQYUXONBMKQA-QMMMGPOBSA-N 0 3 282.252 1.687 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134270036 375945911 /nfs/dbraw/zinc/94/59/11/375945911.db2.gz LAOOPKCRRCCOKB-SECBINFHSA-N 0 3 281.287 1.415 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264848565 190139131 /nfs/dbraw/zinc/13/91/31/190139131.db2.gz BPVMKXPEYFQQFB-VIIAAUOXSA-N 0 3 289.335 1.818 20 5 CDBDHN CN(CCNC(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000264866350 190140258 /nfs/dbraw/zinc/14/02/58/190140258.db2.gz OPZOHDLYBNZMKF-UHFFFAOYSA-N 0 3 292.339 1.488 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CNCC[C@@H]3CCOC3)nc2c1 ZINC000446845735 250319087 /nfs/dbraw/zinc/31/90/87/250319087.db2.gz QHBCOIOYFDUURQ-SNVBAGLBSA-N 0 3 290.323 1.987 20 5 CDBDHN CN(Cc1cccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266421747 190256457 /nfs/dbraw/zinc/25/64/57/190256457.db2.gz ITSUEIXAMPRCDF-LLVKDONJSA-N 0 3 296.352 1.346 20 5 CDBDHN Cc1cc(NC[C@@H](O)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000173913543 379342079 /nfs/dbraw/zinc/34/20/79/379342079.db2.gz TZOMDLRSAIAAGU-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN C[C@@H](NC[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453405856 252312679 /nfs/dbraw/zinc/31/26/79/252312679.db2.gz QPPJBKNLGSAHDS-YGRLFVJLSA-N 0 3 277.324 1.914 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459775791 252777885 /nfs/dbraw/zinc/77/78/85/252777885.db2.gz KNFQAQLDEZJKJE-KXUCPTDWSA-N 0 3 250.302 1.607 20 5 CDBDHN CO[C@@H](C)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000285903722 390186414 /nfs/dbraw/zinc/18/64/14/390186414.db2.gz ZWCGUHVTOHAMOK-NSHDSACASA-N 0 3 268.313 1.940 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262826385 390943241 /nfs/dbraw/zinc/94/32/41/390943241.db2.gz UBXCPCZQTHICPH-ZJUUUORDSA-N 0 3 263.297 1.417 20 5 CDBDHN CC1(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)COC1 ZINC000440488309 391394838 /nfs/dbraw/zinc/39/48/38/391394838.db2.gz ODWPDNXKGUCONN-LLVKDONJSA-N 0 3 292.339 1.513 20 5 CDBDHN COc1ccc(CNCCC(C)(C)O)cc1[N+](=O)[O-] ZINC000274742814 533661322 /nfs/dbraw/zinc/66/13/22/533661322.db2.gz KMUDUVFBJZOLGP-UHFFFAOYSA-N 0 3 268.313 1.854 20 5 CDBDHN CC1(C)CCCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000549753205 392612576 /nfs/dbraw/zinc/61/25/76/392612576.db2.gz QOBHSLJADAQOIQ-UHFFFAOYSA-N 0 3 295.343 1.170 20 5 CDBDHN CC(=O)N[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420992844 392924129 /nfs/dbraw/zinc/92/41/29/392924129.db2.gz YPWHBDOWMNTYJS-ZDUSSCGKSA-N 0 3 277.324 1.348 20 5 CDBDHN Cc1c(C(=O)N[C@@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000449656089 393137232 /nfs/dbraw/zinc/13/72/32/393137232.db2.gz JDHSYEYPJFNFPP-LLVKDONJSA-N 0 3 299.277 1.630 20 5 CDBDHN CCCCN(C)CCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000352386688 155151650 /nfs/dbraw/zinc/15/16/50/155151650.db2.gz DWIYBNYTWQWXON-UHFFFAOYSA-N 0 3 283.332 1.088 20 5 CDBDHN COc1cc(CN(C)[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000352668689 155342456 /nfs/dbraw/zinc/34/24/56/155342456.db2.gz UIPODEHRWMTIAT-DGCLKSJQSA-N 0 3 280.324 1.949 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000344035332 152398107 /nfs/dbraw/zinc/39/81/07/152398107.db2.gz RQTHRSFYZGEZFK-GLQYFDAESA-N 0 3 292.335 1.676 20 5 CDBDHN C[C@H]1CC[C@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000373221775 160183098 /nfs/dbraw/zinc/18/30/98/160183098.db2.gz VBYDGXLFCOXCRA-WCQYABFASA-N 0 3 294.355 1.996 20 5 CDBDHN COCCOCCNCc1ccc([N+](=O)[O-])cc1 ZINC000044424317 175174292 /nfs/dbraw/zinc/17/42/92/175174292.db2.gz BBARQQLXKAAIAF-UHFFFAOYSA-N 0 3 254.286 1.347 20 5 CDBDHN CS[C@H](CO)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000219070285 274184230 /nfs/dbraw/zinc/18/42/30/274184230.db2.gz HQLMGGWYMUQMKO-JOYOIKCWSA-N 0 3 270.354 1.797 20 5 CDBDHN N[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000399156401 270368423 /nfs/dbraw/zinc/36/84/23/270368423.db2.gz BIYYWTXXWNWOAK-GFCCVEGCSA-N 0 3 263.297 1.338 20 5 CDBDHN Cc1nc(N2CCC[C@H]2CN(C)C)ncc1[N+](=O)[O-] ZINC000297369345 274841312 /nfs/dbraw/zinc/84/13/12/274841312.db2.gz CQTVLMBERWGLRF-JTQLQIEISA-N 0 3 265.317 1.224 20 5 CDBDHN CN(C)C/C=C\C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000491887639 276764720 /nfs/dbraw/zinc/76/47/20/276764720.db2.gz ALHCKDQCTRECDE-YVMONPNESA-N 0 3 263.297 1.329 20 5 CDBDHN CN1CCC[C@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@H]21 ZINC000249282840 277085100 /nfs/dbraw/zinc/08/51/00/277085100.db2.gz NHCKMWPNOUVQQO-VHSXEESVSA-N 0 3 282.369 1.972 20 5 CDBDHN CN1CC[C@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000368299024 277186595 /nfs/dbraw/zinc/18/65/95/277186595.db2.gz LQTLYZXONBQYBL-NSHDSACASA-N 0 3 268.342 1.583 20 5 CDBDHN COC[C@H](O)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000231607533 277264013 /nfs/dbraw/zinc/26/40/13/277264013.db2.gz KFNCOZVVSJJHLN-LLVKDONJSA-N 0 3 288.731 1.735 20 5 CDBDHN COc1cc(N2CCNC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261985930 277826317 /nfs/dbraw/zinc/82/63/17/277826317.db2.gz ONBAOACZNKWBCZ-MRVPVSSYSA-N 0 3 269.276 1.541 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(N2CCNC(C)(C)C2)c1 ZINC000212726064 277937855 /nfs/dbraw/zinc/93/78/55/277937855.db2.gz FLXYIKKFASLQBE-UHFFFAOYSA-N 0 3 265.313 1.792 20 5 CDBDHN Cc1cc(C(=O)NC[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000108336872 279305334 /nfs/dbraw/zinc/30/53/34/279305334.db2.gz CXDGSZCGDDODLK-GFCCVEGCSA-N 0 3 291.351 1.975 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000108337979 279305557 /nfs/dbraw/zinc/30/55/57/279305557.db2.gz OSTRVTAFUWCLPY-NSHDSACASA-N 0 3 277.324 1.666 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)CCN1CCCC1=O ZINC000112703578 279331285 /nfs/dbraw/zinc/33/12/85/279331285.db2.gz ZOYLRPRGQWAQCU-UHFFFAOYSA-N 0 3 291.351 1.692 20 5 CDBDHN CNC(=O)C(C)(C)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566474366 316606899 /nfs/dbraw/zinc/60/68/99/316606899.db2.gz HAPWBHBWHIZPJE-GFCCVEGCSA-N 0 3 291.351 1.944 20 5 CDBDHN COCCN(C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000061375953 523610726 /nfs/dbraw/zinc/61/07/26/523610726.db2.gz KOMGKJMAQOEFOM-GFCCVEGCSA-N 0 3 281.356 1.824 20 5 CDBDHN CN(C)C[C@@H](O)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731208398 575037993 /nfs/dbraw/zinc/03/79/93/575037993.db2.gz FMVIRPQPYNMDAC-VIFPVBQESA-N 0 3 296.352 1.539 20 5 CDBDHN COC[C@@H](CCO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528138 576580802 /nfs/dbraw/zinc/58/08/02/576580802.db2.gz ZVYFBSCRQAPGJG-SNVBAGLBSA-N 0 3 288.731 1.735 20 5 CDBDHN C[C@H]1CCCN1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000742241384 576591568 /nfs/dbraw/zinc/59/15/68/576591568.db2.gz PIPADSBWOPYMNB-LBPRGKRZSA-N 0 3 291.351 1.738 20 5 CDBDHN COCCOC[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000742376793 576598970 /nfs/dbraw/zinc/59/89/70/576598970.db2.gz HJDCIQPXHHNZNM-NSHDSACASA-N 0 3 298.339 1.745 20 5 CDBDHN CC(COC(=O)C[C@H]1CCC2(CCC2)O1)[N+](=O)[O-] ZINC000893046922 618099264 /nfs/dbraw/zinc/09/92/64/618099264.db2.gz HSLVNIMWHIAQEH-VHSXEESVSA-N 0 3 257.286 1.687 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC/C=C\Cl)cc1 ZINC000905706098 626933914 /nfs/dbraw/zinc/93/39/14/626933914.db2.gz DWSWJDSJQCKWIE-CWYBVCKVSA-N 0 3 256.689 1.970 20 5 CDBDHN COc1ccc(C[C@H](C)N2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329769 1162338519 /nfs/dbraw/zinc/33/85/19/1162338519.db2.gz UCAOFXHAQCPGSH-LOWVWBTDSA-N 0 3 294.351 1.990 20 5 CDBDHN Cc1c(F)cnc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170564325 1162928394 /nfs/dbraw/zinc/92/83/94/1162928394.db2.gz PWPQHAQZMQHNCC-WCBMZHEXSA-N 0 3 284.291 1.226 20 5 CDBDHN CN(C)C(=O)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000131051692 726315982 /nfs/dbraw/zinc/31/59/82/726315982.db2.gz LZWVWEZHJQBCRS-UHFFFAOYSA-N 0 3 285.731 1.816 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)ncn2C)[N+](=O)[O-] ZINC000813103903 726019026 /nfs/dbraw/zinc/01/90/26/726019026.db2.gz HYYXMWJAVNHIGP-MRVPVSSYSA-N 0 3 263.253 1.395 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN[C@@H](CO)C1CCC1 ZINC000886274662 726023645 /nfs/dbraw/zinc/02/36/45/726023645.db2.gz YGIANHAAPWNGHP-NSHDSACASA-N 0 3 251.286 1.240 20 5 CDBDHN O=[N+]([O-])c1c(F)nccc1NC[C@H]1CCCN1CCCO ZINC000882409954 726064660 /nfs/dbraw/zinc/06/46/60/726064660.db2.gz SQTWZIQDJIZWQP-SNVBAGLBSA-N 0 3 298.318 1.388 20 5 CDBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000860777814 726070466 /nfs/dbraw/zinc/07/04/66/726070466.db2.gz WNWIJACGUOJOCM-KWQFWETISA-N 0 3 271.244 1.722 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252890880 726301915 /nfs/dbraw/zinc/30/19/15/726301915.db2.gz IRLPPLVZJJZTDZ-QWRGUYRKSA-N 0 3 278.312 1.265 20 5 CDBDHN CN(CCO)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000884823784 726326269 /nfs/dbraw/zinc/32/62/69/726326269.db2.gz DXSOZQLYMZPRDI-UHFFFAOYSA-N 0 3 290.323 1.479 20 5 CDBDHN CC(COC(=O)c1ccc(-n2cnnc2)cc1)[N+](=O)[O-] ZINC000813111472 726811570 /nfs/dbraw/zinc/81/15/70/726811570.db2.gz IBSPBUFYMCNXHF-SECBINFHSA-N 0 3 276.252 1.089 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000092627328 726832765 /nfs/dbraw/zinc/83/27/65/726832765.db2.gz OGSQUYLYUWHULS-NSHDSACASA-N 0 3 295.314 1.900 20 5 CDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc2c1O[C@@H](C)C2 ZINC000813103508 726934167 /nfs/dbraw/zinc/93/41/67/726934167.db2.gz CGRLRKPUUBBGHO-IUCAKERBSA-N 0 3 295.291 1.841 20 5 CDBDHN COC[C@H](CNCc1cccc([N+](=O)[O-])c1C)OC ZINC000300585119 727043118 /nfs/dbraw/zinc/04/31/18/727043118.db2.gz XSNFIXRBUJSNGR-LBPRGKRZSA-N 0 3 268.313 1.654 20 5 CDBDHN N[C@H](CC1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000884153914 727376420 /nfs/dbraw/zinc/37/64/20/727376420.db2.gz VIJFNRBZXCAIJG-GFCCVEGCSA-N 0 3 277.324 1.381 20 5 CDBDHN COC1(C(=N)NOCc2onc(C)c2[N+](=O)[O-])CCCC1 ZINC000863477850 728003009 /nfs/dbraw/zinc/00/30/09/728003009.db2.gz YIMCEIWTTIYGFE-UHFFFAOYSA-N 0 3 298.299 1.849 20 5 CDBDHN CC(COC(=O)c1cccc2[nH]c(=O)oc21)[N+](=O)[O-] ZINC000813112256 728177901 /nfs/dbraw/zinc/17/79/01/728177901.db2.gz FAKOWMZIVVYONV-LURJTMIESA-N 0 3 266.209 1.355 20 5 CDBDHN CCN1CC[C@H](Oc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001225663015 903625336 /nfs/dbraw/zinc/62/53/36/903625336.db2.gz PUNOVGNXDJNDQR-JTQLQIEISA-N 0 3 251.286 1.771 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC001117687914 921983397 /nfs/dbraw/zinc/98/33/97/921983397.db2.gz RALZWTKTEKMYDT-WDEREUQCSA-N 0 3 276.340 1.757 20 5 CDBDHN CC(COC(=O)c1cc(-n2ccnn2)ccc1F)[N+](=O)[O-] ZINC000851036379 927503435 /nfs/dbraw/zinc/50/34/35/927503435.db2.gz IRTKLNYLLHXMCO-QMMMGPOBSA-N 0 3 294.242 1.228 20 5 CDBDHN CN(Cc1cnccn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037455 927646848 /nfs/dbraw/zinc/64/68/48/927646848.db2.gz RXABYTJUFFMNAO-ZYHUDNBSSA-N 0 3 250.302 1.354 20 5 CDBDHN CCN([C@@H](C)C(=O)OC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169054398 927673424 /nfs/dbraw/zinc/67/34/24/927673424.db2.gz LVWQDORIGFGKKC-GARJFASQSA-N 0 3 258.318 1.315 20 5 CDBDHN C[C@H](N)c1ccn(-c2ncnc3sc([N+](=O)[O-])cc32)n1 ZINC001169231654 927841379 /nfs/dbraw/zinc/84/13/79/927841379.db2.gz OXONLRHCRFNGHC-LURJTMIESA-N 0 3 290.308 1.805 20 5 CDBDHN CN(CCO)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000884825267 930638300 /nfs/dbraw/zinc/63/83/00/930638300.db2.gz NYISWVWJOHAUHM-UHFFFAOYSA-N 0 3 290.323 1.479 20 5 CDBDHN NCc1cn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])cn1 ZINC001154907091 937603145 /nfs/dbraw/zinc/60/31/45/937603145.db2.gz VGGSEQVGHVTBRQ-UHFFFAOYSA-N 0 3 288.094 1.941 20 5 CDBDHN NCc1cn(-c2nccc3ccc([N+](=O)[O-])cc32)cn1 ZINC001154910304 937603665 /nfs/dbraw/zinc/60/36/65/937603665.db2.gz ZTIUZBBRSFADBC-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)[C@@H](C)O ZINC000929338077 933228059 /nfs/dbraw/zinc/22/80/59/933228059.db2.gz PJGBUHZMMNIKQK-BXUZGUMPSA-N 0 3 282.340 1.547 20 5 CDBDHN CC(COC(=O)c1c[nH]c(Br)c1)[N+](=O)[O-] ZINC001122968962 936093595 /nfs/dbraw/zinc/09/35/95/936093595.db2.gz VZPFCPXXKSPODO-RXMQYKEDSA-N 0 3 277.074 1.599 20 5 CDBDHN CN1CCN(c2ccc([N+](=O)[O-])c(N)n2)C2(CCCC2)C1 ZINC001158409937 938618884 /nfs/dbraw/zinc/61/88/84/938618884.db2.gz GIYKQQFMWCCSRK-UHFFFAOYSA-N 0 3 291.355 1.637 20 5 CDBDHN Cc1cnc(N[C@@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159489967 938732088 /nfs/dbraw/zinc/73/20/88/938732088.db2.gz SGKOIBGASJBWTL-ONGXEEELSA-N 0 3 266.301 1.087 20 5 CDBDHN COc1ncnc(N[C@H]2CCN(C3CCC3)C2)c1[N+](=O)[O-] ZINC001161178260 938877958 /nfs/dbraw/zinc/87/79/58/938877958.db2.gz ZOTDRDZTLJARAP-VIFPVBQESA-N 0 3 293.327 1.432 20 5 CDBDHN NCc1cn(-c2nccc3c2cccc3[N+](=O)[O-])cn1 ZINC001162293874 938972237 /nfs/dbraw/zinc/97/22/37/938972237.db2.gz CMBJXPLUMHCPSU-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN C[C@H](N)c1nc2ccccc2n1-c1nccnc1[N+](=O)[O-] ZINC001162759423 939134674 /nfs/dbraw/zinc/13/46/74/939134674.db2.gz RXJUEQXLIVQAQQ-QMMMGPOBSA-N 0 3 284.279 1.743 20 5 CDBDHN Cc1c(C)c(N2CC(C)(N(C)C)C2)ncc1[N+](=O)[O-] ZINC001165117230 939511925 /nfs/dbraw/zinc/51/19/25/939511925.db2.gz CAWOYIBTUAIBLG-UHFFFAOYSA-N 0 3 264.329 1.747 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CC[C@@H](OC)C2)c1[N+](=O)[O-] ZINC001262365977 946612503 /nfs/dbraw/zinc/61/25/03/946612503.db2.gz QSCKJADKFILUMK-GHMZBOCLSA-N 0 3 296.323 1.966 20 5 CDBDHN Cc1nn(C)cc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262572445 946725213 /nfs/dbraw/zinc/72/52/13/946725213.db2.gz UWXWEDVKULPMNN-AWEZNQCLSA-N 0 3 290.323 1.460 20 5 CDBDHN NCc1cncn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567018 947528346 /nfs/dbraw/zinc/52/83/46/947528346.db2.gz MLGHKWTZRYMHAY-GFCCVEGCSA-N 0 3 258.281 1.590 20 5 CDBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)NC1CCC1 ZINC001254584811 947539968 /nfs/dbraw/zinc/53/99/68/947539968.db2.gz JVPVYMXDAVWQQJ-CYBMUJFWSA-N 0 3 289.335 1.320 20 5 CDBDHN CC(C)(O)[C@H](F)CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589587 947543490 /nfs/dbraw/zinc/54/34/90/947543490.db2.gz PIGPVMLWNUJDQA-DGCLKSJQSA-N 0 3 282.315 1.761 20 5 CDBDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCC[N+](=O)[O-])C12CCC2 ZINC001336837858 960647190 /nfs/dbraw/zinc/64/71/90/960647190.db2.gz BODLZTLDAZWJNU-MNOVXSKESA-N 0 3 299.371 1.689 20 5 CDBDHN Cc1cnc(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001515230365 976412082 /nfs/dbraw/zinc/41/20/82/976412082.db2.gz PUGWOTFKUZHVGW-SSDOTTSWSA-N 0 3 258.661 1.865 20 5 CDBDHN CC(COC(=O)c1cnn(C2CCC2)c1)[N+](=O)[O-] ZINC001515231427 976412232 /nfs/dbraw/zinc/41/22/32/976412232.db2.gz YYAIQXPLMCCISH-MRVPVSSYSA-N 0 3 253.258 1.430 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)CC(F)(F)F)c1 ZINC000307935759 342476586 /nfs/dbraw/zinc/47/65/86/342476586.db2.gz FOXGBPYAFYWEST-SNVBAGLBSA-N 0 3 278.230 1.998 20 5 CDBDHN Cc1c(NC(=O)[C@@H]2NCC2(C)C)cccc1[N+](=O)[O-] ZINC000591672272 342641431 /nfs/dbraw/zinc/64/14/31/342641431.db2.gz FOVZKLIIAKNYBP-NSHDSACASA-N 0 3 263.297 1.840 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000591686182 342643307 /nfs/dbraw/zinc/64/33/07/342643307.db2.gz PJLQTPXBMTWGDA-QWRGUYRKSA-N 0 3 295.314 1.641 20 5 CDBDHN C[C@H](NCc1csc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000594970258 342992084 /nfs/dbraw/zinc/99/20/84/342992084.db2.gz WQQCDBLIEDYVKV-QMMMGPOBSA-N 0 3 256.327 1.907 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000108330297 349735400 /nfs/dbraw/zinc/73/54/00/349735400.db2.gz VZDIUDVRSDRJNG-ZDUSSCGKSA-N 0 3 291.351 1.595 20 5 CDBDHN C[C@@H](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)N(C)C ZINC000565774110 365720197 /nfs/dbraw/zinc/72/01/97/365720197.db2.gz IDWDAGGNYXZVTB-VIFPVBQESA-N 0 3 292.295 1.362 20 5 CDBDHN CN(C)CCN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000080684683 342359163 /nfs/dbraw/zinc/35/91/63/342359163.db2.gz GUWZTQJRBFXCMV-UHFFFAOYSA-N 0 3 258.709 1.641 20 5 CDBDHN CC[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596072845 343225451 /nfs/dbraw/zinc/22/54/51/343225451.db2.gz AGHDBPRUGQKKSD-JTQLQIEISA-N 0 3 280.328 1.982 20 5 CDBDHN O=c1[n-]ccc(NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596063108 343223886 /nfs/dbraw/zinc/22/38/86/343223886.db2.gz SBESTLUTDCWMLA-UHFFFAOYSA-N 0 3 266.301 1.593 20 5 CDBDHN C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000598644839 343855307 /nfs/dbraw/zinc/85/53/07/343855307.db2.gz AQMURWWMHJIWRR-STQMWFEESA-N 0 3 294.351 1.924 20 5 CDBDHN C[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC000136159042 362305727 /nfs/dbraw/zinc/30/57/27/362305727.db2.gz OZDYVVUPYNCXAJ-CQSZACIVSA-N 0 3 277.324 1.743 20 5 CDBDHN CCN[C@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000602451000 344435142 /nfs/dbraw/zinc/43/51/42/344435142.db2.gz DPIQXOWHTWZMSL-SNVBAGLBSA-N 0 3 281.312 1.088 20 5 CDBDHN CSC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602919727 344650345 /nfs/dbraw/zinc/65/03/45/344650345.db2.gz GTOGDPRBPWKOIR-UHFFFAOYSA-N 0 3 270.358 1.619 20 5 CDBDHN CN1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087005577 179378266 /nfs/dbraw/zinc/37/82/66/179378266.db2.gz VOSZPEJPOVFLQD-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN Cc1cnc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000090692315 180025282 /nfs/dbraw/zinc/02/52/82/180025282.db2.gz NNHPZSJLRONTPQ-UHFFFAOYSA-N 0 3 250.302 1.806 20 5 CDBDHN Cc1cc(C(=O)NC[C@H]2CCCN2C)c(N)c([N+](=O)[O-])c1 ZINC000104866808 186030212 /nfs/dbraw/zinc/03/02/12/186030212.db2.gz HKSZOZQWSVDJJO-SNVBAGLBSA-N 0 3 292.339 1.309 20 5 CDBDHN CCc1nn(C)c(NCCN(C)CC)c1[N+](=O)[O-] ZINC000091559496 180191559 /nfs/dbraw/zinc/19/15/59/180191559.db2.gz PJQUULOVMDMRQL-UHFFFAOYSA-N 0 3 255.322 1.254 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000109849860 186277795 /nfs/dbraw/zinc/27/77/95/186277795.db2.gz YRLUHUKXWIQVOH-SNVBAGLBSA-N 0 3 263.297 1.276 20 5 CDBDHN COc1ccc(CN[C@@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000168183726 188646704 /nfs/dbraw/zinc/64/67/04/188646704.db2.gz OKHUUTDNDSAQQC-UGZDLDLSSA-N 0 3 286.353 1.460 20 5 CDBDHN CO[C@@](C)([C@H](C)NCc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000411949039 363384249 /nfs/dbraw/zinc/38/42/49/363384249.db2.gz NSCGPLPDXNCNGT-ZANVPECISA-N 0 3 282.344 1.622 20 5 CDBDHN Cc1c([C@H](C)NCCc2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000358410108 355924460 /nfs/dbraw/zinc/92/44/60/355924460.db2.gz XDGRRMUCQRXOET-NSHDSACASA-N 0 3 289.339 1.925 20 5 CDBDHN CN1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000043179937 356518619 /nfs/dbraw/zinc/51/86/19/356518619.db2.gz HIFYZTKGMFKOCF-UHFFFAOYSA-N 0 3 292.339 1.488 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354743558 283231188 /nfs/dbraw/zinc/23/11/88/283231188.db2.gz WKIHRCMGQRUNKX-UHFFFAOYSA-N 0 3 294.355 1.591 20 5 CDBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046861549 357149304 /nfs/dbraw/zinc/14/93/04/357149304.db2.gz QNPGAMOBCBVSGG-SNVBAGLBSA-N 0 3 281.312 1.650 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN(C)C ZINC000286967303 358046606 /nfs/dbraw/zinc/04/66/06/358046606.db2.gz NOVXGLFZTSVHKO-JTQLQIEISA-N 0 3 280.328 1.975 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC1(CO)COC1)CCC2 ZINC000193037038 358259995 /nfs/dbraw/zinc/25/99/95/358259995.db2.gz NKWIAQDHBUYPCP-CQSZACIVSA-N 0 3 292.335 1.571 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000121037621 359128800 /nfs/dbraw/zinc/12/88/00/359128800.db2.gz PUBGRRJEDKIZLK-UWVGGRQHSA-N 0 3 281.312 1.600 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152915670 359558159 /nfs/dbraw/zinc/55/81/59/359558159.db2.gz FTTAZMBHGYOOTK-DGCLKSJQSA-N 0 3 280.328 1.292 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@]1(CO)CCOC1 ZINC000572060830 359807500 /nfs/dbraw/zinc/80/75/00/359807500.db2.gz RWRORFWYFXJGFF-JSGCOSHPSA-N 0 3 278.308 1.323 20 5 CDBDHN CC(C)N(CCN(C)C)c1c([N+](=O)[O-])ncn1C ZINC000277787136 366633776 /nfs/dbraw/zinc/63/37/76/366633776.db2.gz MYTZAVXKWJLEMX-UHFFFAOYSA-N 0 3 255.322 1.105 20 5 CDBDHN COC(=O)[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000177416898 189049110 /nfs/dbraw/zinc/04/91/10/189049110.db2.gz TZFJDOYUBJURIS-AWEZNQCLSA-N 0 3 278.308 1.980 20 5 CDBDHN Cc1cc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000408461939 361146309 /nfs/dbraw/zinc/14/63/09/361146309.db2.gz BXDSJZNEOVRSPN-OCCSQVGLSA-N 0 3 289.335 1.679 20 5 CDBDHN C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(C)C ZINC000037985884 364012487 /nfs/dbraw/zinc/01/24/87/364012487.db2.gz YTYPHWZNVJYGBA-QMMMGPOBSA-N 0 3 268.273 1.865 20 5 CDBDHN CC(C)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174880532 364588186 /nfs/dbraw/zinc/58/81/86/364588186.db2.gz DNHBXSMCBVADGH-LBPRGKRZSA-N 0 3 284.385 1.865 20 5 CDBDHN Cc1n[nH]c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457135439 365419154 /nfs/dbraw/zinc/41/91/54/365419154.db2.gz WHDKLFKQMABLJN-JTQLQIEISA-N 0 3 295.343 1.181 20 5 CDBDHN CS[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270932024 366946443 /nfs/dbraw/zinc/94/64/43/366946443.db2.gz CSUVPCGSCKXIMC-NEPJUHHUSA-N 0 3 296.396 1.780 20 5 CDBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CC1 ZINC000356288546 368482079 /nfs/dbraw/zinc/48/20/79/368482079.db2.gz LGDHXYJJDFCOJC-UHFFFAOYSA-N 0 3 280.328 1.100 20 5 CDBDHN C[C@H](NC1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000295235277 369731156 /nfs/dbraw/zinc/73/11/56/369731156.db2.gz SFJYEGQOHMCMIA-JTQLQIEISA-N 0 3 277.324 1.394 20 5 CDBDHN CCn1cc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CCC2)n1 ZINC000331889898 204266164 /nfs/dbraw/zinc/26/61/64/204266164.db2.gz ABEFYSWYUYRUMI-UHFFFAOYSA-N 0 3 295.343 1.025 20 5 CDBDHN COC(=O)c1ccc(OCCN(C)C)c([N+](=O)[O-])c1 ZINC000073695929 372993257 /nfs/dbraw/zinc/99/32/57/372993257.db2.gz OBWKLAXUWBEFTQ-UHFFFAOYSA-N 0 3 268.269 1.322 20 5 CDBDHN Cc1c(CC(=O)N(C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000269605024 373073445 /nfs/dbraw/zinc/07/34/45/373073445.db2.gz JNAPNTGNHCPMMH-UHFFFAOYSA-N 0 3 279.340 1.466 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000298788728 374185292 /nfs/dbraw/zinc/18/52/92/374185292.db2.gz OWHFQOYXQSBDNL-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN CCOC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000311673371 374263293 /nfs/dbraw/zinc/26/32/93/374263293.db2.gz IFEOGURAELNHDQ-ZWNOBZJWSA-N 0 3 268.313 1.643 20 5 CDBDHN Cc1c([C@H](C)NC[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423531723 374387446 /nfs/dbraw/zinc/38/74/46/374387446.db2.gz YOGNKLSCOWBVQP-NWDGAFQWSA-N 0 3 279.340 1.542 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)[C@@H]1CCCO1 ZINC000447968989 374728547 /nfs/dbraw/zinc/72/85/47/374728547.db2.gz TYPHAWFYKGZQFZ-KGLIPLIRSA-N 0 3 280.324 1.533 20 5 CDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331292087 374923605 /nfs/dbraw/zinc/92/36/05/374923605.db2.gz KVGBMIWDGDXAFX-RKDXNWHRSA-N 0 3 295.343 1.093 20 5 CDBDHN CCC[C@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849571 375126144 /nfs/dbraw/zinc/12/61/44/375126144.db2.gz BDSGBXZFISGMJJ-ONGXEEELSA-N 0 3 267.329 1.989 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H](O)C(F)F ZINC000344766326 375430721 /nfs/dbraw/zinc/43/07/21/375430721.db2.gz XMCFQDUEAKDRHL-MZBZXASESA-N 0 3 272.251 1.824 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)N(C)C ZINC000344834612 375540803 /nfs/dbraw/zinc/54/08/03/375540803.db2.gz FPULJHFXNJVFBS-YRNVUSSQSA-N 0 3 277.324 1.676 20 5 CDBDHN NC(C(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000352946204 375554874 /nfs/dbraw/zinc/55/48/74/375554874.db2.gz PMMXIFHOSVTFDE-SECBINFHSA-N 0 3 291.229 1.143 20 5 CDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354424531 375707658 /nfs/dbraw/zinc/70/76/58/375707658.db2.gz ZYOVKABOWYWKOQ-LLVKDONJSA-N 0 3 294.355 1.917 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCCCC2)cc1CO ZINC000428096988 247242452 /nfs/dbraw/zinc/24/24/52/247242452.db2.gz CDMMOXBJDMMMBH-UHFFFAOYSA-N 0 3 280.324 1.952 20 5 CDBDHN C[C@H](NC[C@@H](O)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000358043997 375949081 /nfs/dbraw/zinc/94/90/81/375949081.db2.gz HFHYJVBCZSGMBI-ZKYQVNSYSA-N 0 3 280.324 1.643 20 5 CDBDHN CN1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000263697069 190074224 /nfs/dbraw/zinc/07/42/24/190074224.db2.gz DYSHXEOQEOEQNM-FVOPLDGLSA-N 0 3 275.308 1.428 20 5 CDBDHN CC1(C)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1 ZINC000128618791 377303203 /nfs/dbraw/zinc/30/32/03/377303203.db2.gz OVVOSGPEUXPPSK-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN CCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264948927 190146875 /nfs/dbraw/zinc/14/68/75/190146875.db2.gz XPUKGYUMWBRIFM-UHFFFAOYSA-N 0 3 281.312 1.042 20 5 CDBDHN C[C@H](NC(=O)/C=C/CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000265610278 190193821 /nfs/dbraw/zinc/19/38/21/190193821.db2.gz FCSILJAQCQOBRW-BWNDKRECSA-N 0 3 277.324 1.890 20 5 CDBDHN COCCCN(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000172771388 377740766 /nfs/dbraw/zinc/74/07/66/377740766.db2.gz WIQVZEWCSNHHQA-UHFFFAOYSA-N 0 3 268.317 1.370 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@]1(CCO)CCOC1 ZINC000278534970 194031557 /nfs/dbraw/zinc/03/15/57/194031557.db2.gz VXNOVAYVAQCIJY-UJAVWCLSSA-N 0 3 292.335 1.739 20 5 CDBDHN COC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174860975 379593438 /nfs/dbraw/zinc/59/34/38/379593438.db2.gz DKHVIFZAVMMEEP-NSHDSACASA-N 0 3 268.317 1.150 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCCN(CCCO)C1 ZINC000450613725 251367660 /nfs/dbraw/zinc/36/76/60/251367660.db2.gz MOJLTZPJGGZUGW-GFCCVEGCSA-N 0 3 297.330 1.993 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](C2CC2)C1 ZINC000289383534 197321015 /nfs/dbraw/zinc/32/10/15/197321015.db2.gz JIYCGTDRPXHLOE-ZDUSSCGKSA-N 0 3 291.351 1.879 20 5 CDBDHN C[C@H](NC[C@H](O)CN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312500 197293374 /nfs/dbraw/zinc/29/33/74/197293374.db2.gz FDQZDDXJNJIVKM-NHYWBVRUSA-N 0 3 293.367 1.701 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN(C)C ZINC000286965003 196747044 /nfs/dbraw/zinc/74/70/44/196747044.db2.gz NJZACWGJEPLMPM-VIFPVBQESA-N 0 3 296.327 1.675 20 5 CDBDHN CO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000281632144 195315228 /nfs/dbraw/zinc/31/52/28/195315228.db2.gz IJMISLUKHYVSLH-QWRGUYRKSA-N 0 3 268.317 1.291 20 5 CDBDHN CN1CC[C@@H]2CN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450784851 390552897 /nfs/dbraw/zinc/55/28/97/390552897.db2.gz CYIWSGMDSGSDKZ-RNCFNFMXSA-N 0 3 265.288 1.874 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN2CCCO)c(F)c1 ZINC000413334952 391202276 /nfs/dbraw/zinc/20/22/76/391202276.db2.gz SXWIDDTVIYPAIH-JTQLQIEISA-N 0 3 298.318 1.388 20 5 CDBDHN COCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504402 391399141 /nfs/dbraw/zinc/39/91/41/391399141.db2.gz WOPFDIWIJGCHMI-NSHDSACASA-N 0 3 280.328 1.513 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000521101448 391618755 /nfs/dbraw/zinc/61/87/55/391618755.db2.gz LFTIQGQJENERDJ-NWDGAFQWSA-N 0 3 293.371 1.650 20 5 CDBDHN CCCN(CCN1CCCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000342177195 130311752 /nfs/dbraw/zinc/31/17/52/130311752.db2.gz HTINUSUIHQADHH-UHFFFAOYSA-N 0 3 295.343 1.266 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CC1 ZINC000416291629 391983594 /nfs/dbraw/zinc/98/35/94/391983594.db2.gz OZWSVXWRJWZBPU-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CN1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000301734100 392876125 /nfs/dbraw/zinc/87/61/25/392876125.db2.gz UKBHLFGGDMJXAS-YPMHNXCESA-N 0 3 276.340 1.910 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000421234713 392928780 /nfs/dbraw/zinc/92/87/80/392928780.db2.gz FSHRQTZDIDALPT-VIFPVBQESA-N 0 3 266.301 1.089 20 5 CDBDHN CN(C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000130729776 392941764 /nfs/dbraw/zinc/94/17/64/392941764.db2.gz DKPDRCNJSGFMIY-GQCTYLIASA-N 0 3 281.287 1.425 20 5 CDBDHN C[C@H]1OCC[C@]1(O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000278648784 393143519 /nfs/dbraw/zinc/14/35/19/393143519.db2.gz MGNFWRGLEGWFIR-NBOVPLECSA-N 0 3 292.335 1.738 20 5 CDBDHN CCN(C)CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188160113 140089007 /nfs/dbraw/zinc/08/90/07/140089007.db2.gz XRCMCHIHOYHSBB-UHFFFAOYSA-N 0 3 297.380 1.998 20 5 CDBDHN CCOC(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000496788376 413116803 /nfs/dbraw/zinc/11/68/03/413116803.db2.gz ZBRWERYSXRFVHT-SECBINFHSA-N 0 3 288.300 1.063 20 5 CDBDHN CC(C)CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176197907 148026651 /nfs/dbraw/zinc/02/66/51/148026651.db2.gz GRAKJPQBTKRIIW-UHFFFAOYSA-N 0 3 281.360 1.065 20 5 CDBDHN COCC[C@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000312171627 149228560 /nfs/dbraw/zinc/22/85/60/149228560.db2.gz VLKIKRIGZFUMMF-DGCLKSJQSA-N 0 3 282.340 1.951 20 5 CDBDHN CCN(CCO)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000346247561 153111867 /nfs/dbraw/zinc/11/18/67/153111867.db2.gz XSJPIJSFDYQXPC-UHFFFAOYSA-N 0 3 285.319 1.138 20 5 CDBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@H](C)O ZINC000352230835 155043839 /nfs/dbraw/zinc/04/38/39/155043839.db2.gz MJALNKOJBBQIPR-NSHDSACASA-N 0 3 298.339 1.685 20 5 CDBDHN CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N(C)C ZINC000356140814 157370604 /nfs/dbraw/zinc/37/06/04/157370604.db2.gz GZSIJKSOFPPHPO-SNVBAGLBSA-N 0 3 297.359 1.034 20 5 CDBDHN COc1cc(CN2C[C@@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000362072109 159059525 /nfs/dbraw/zinc/05/95/25/159059525.db2.gz KORGDFQEMLHZOP-PWSUYJOCSA-N 0 3 280.324 1.664 20 5 CDBDHN CN(C)C(=O)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000043448391 175049268 /nfs/dbraw/zinc/04/92/68/175049268.db2.gz LOFMFSRIKHNHSI-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN Cc1nn(C)c(NC[C@@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000044563295 175206550 /nfs/dbraw/zinc/20/65/50/175206550.db2.gz GQEBTXJULRHKIT-JTQLQIEISA-N 0 3 267.333 1.533 20 5 CDBDHN CC(C)(O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000070939785 176014230 /nfs/dbraw/zinc/01/42/30/176014230.db2.gz GQTYGFSZRCGPHW-UHFFFAOYSA-N 0 3 293.367 1.483 20 5 CDBDHN COC[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265842782 270313000 /nfs/dbraw/zinc/31/30/00/270313000.db2.gz WXWWMKSTAJQXDN-LBPRGKRZSA-N 0 3 280.324 1.942 20 5 CDBDHN CC(C)[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000487950352 270398280 /nfs/dbraw/zinc/39/82/80/270398280.db2.gz GRVJTRDUUKAYRW-LLVKDONJSA-N 0 3 281.360 1.100 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(N[C@@H](C)CN(C)C)c1 ZINC000168969592 274118678 /nfs/dbraw/zinc/11/86/78/274118678.db2.gz QNJCIFYWPMIASX-VIFPVBQESA-N 0 3 253.302 1.965 20 5 CDBDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000411375115 274222983 /nfs/dbraw/zinc/22/29/83/274222983.db2.gz OSYMLQDGYIWQLJ-LEWSCRJBSA-N 0 3 291.351 1.765 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277605409 276071105 /nfs/dbraw/zinc/07/11/05/276071105.db2.gz PEJHAADVJAZNJC-UHFFFAOYSA-N 0 3 281.312 1.285 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000048411458 276187017 /nfs/dbraw/zinc/18/70/17/276187017.db2.gz KEFYZGDGFMLHQF-NSHDSACASA-N 0 3 277.324 1.809 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000267048105 277248548 /nfs/dbraw/zinc/24/85/48/277248548.db2.gz FNAHROGCHPOXCJ-GHMZBOCLSA-N 0 3 279.340 1.970 20 5 CDBDHN COC(=O)COC[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000295475050 277323987 /nfs/dbraw/zinc/32/39/87/277323987.db2.gz RUJJBFWKZOCRPF-QWRGUYRKSA-N 0 3 296.323 1.824 20 5 CDBDHN C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N(C)C ZINC000272632157 278278423 /nfs/dbraw/zinc/27/84/23/278278423.db2.gz AMJVJTSUOAXMEI-QMMMGPOBSA-N 0 3 267.289 1.061 20 5 CDBDHN C[C@H](CS(C)(=O)=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000081900813 279364552 /nfs/dbraw/zinc/36/45/52/279364552.db2.gz GYXNHGNPFYDKDU-SNVBAGLBSA-N 0 3 286.353 1.160 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)CC(N)=O ZINC000551679785 290012230 /nfs/dbraw/zinc/01/22/30/290012230.db2.gz CANFISBQHBNVEA-NXEZZACHSA-N 0 3 265.313 1.818 20 5 CDBDHN COC[C@@H](O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575881614 317033989 /nfs/dbraw/zinc/03/39/89/317033989.db2.gz XFHRNXOXWFLUJJ-GXFFZTMASA-N 0 3 280.324 1.569 20 5 CDBDHN CC(=O)N1CC(NC/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000581498635 324765664 /nfs/dbraw/zinc/76/56/64/324765664.db2.gz FNLKIGVFOJTRSL-WDZFZDKYSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762489 325038031 /nfs/dbraw/zinc/03/80/31/325038031.db2.gz JYTJWLRCFMAXCC-ZJUUUORDSA-N 0 3 295.343 1.168 20 5 CDBDHN O=C(NCCN1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177277670 534326999 /nfs/dbraw/zinc/32/69/99/534326999.db2.gz QPULWSDFFAAZJJ-UHFFFAOYSA-N 0 3 281.287 1.560 20 5 CDBDHN Cc1nc(NC2CCN(C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000296590335 534486944 /nfs/dbraw/zinc/48/69/44/534486944.db2.gz RWKPZHACEYYVPS-UHFFFAOYSA-N 0 3 279.344 1.978 20 5 CDBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1 ZINC000338424453 521071837 /nfs/dbraw/zinc/07/18/37/521071837.db2.gz OKXSWMSSJHCACH-UHFFFAOYSA-N 0 3 266.301 1.137 20 5 CDBDHN COc1cc(C(=O)NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000143343380 522109636 /nfs/dbraw/zinc/10/96/36/522109636.db2.gz AASLHLRBUOTKQG-UHFFFAOYSA-N 0 3 293.323 1.429 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CCCCO3)CC2)n1 ZINC000365821902 527407352 /nfs/dbraw/zinc/40/73/52/527407352.db2.gz RPLPZVDJOUCEAR-CYBMUJFWSA-N 0 3 294.355 1.997 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CNC1(CCO)CCCCC1 ZINC000353618255 527489978 /nfs/dbraw/zinc/48/99/78/527489978.db2.gz AUFOVPRZLJPUPS-UHFFFAOYSA-N 0 3 282.344 1.503 20 5 CDBDHN CCC[C@](C)(N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423825221 535760409 /nfs/dbraw/zinc/76/04/09/535760409.db2.gz KPIROHNZFXANRN-AWEZNQCLSA-N 0 3 292.339 1.392 20 5 CDBDHN C[C@H](OC(=O)C1CCN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000774012137 575848242 /nfs/dbraw/zinc/84/82/42/575848242.db2.gz BFBYVMHKTCJPBP-GXSJLCMTSA-N 0 3 292.291 1.677 20 5 CDBDHN Cn1c(C(=O)N[C@@]2(C)CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000892793506 617754621 /nfs/dbraw/zinc/75/46/21/617754621.db2.gz NLMIZZMLZOBLQT-AWEZNQCLSA-N 0 3 292.339 1.147 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000934039504 617864127 /nfs/dbraw/zinc/86/41/27/617864127.db2.gz UNRVHXPDBPFQES-HZSPNIEDSA-N 0 3 296.323 1.022 20 5 CDBDHN CC(COC(=O)C[C@H]1NC(=O)c2ccccc21)[N+](=O)[O-] ZINC000893045144 618092621 /nfs/dbraw/zinc/09/26/21/618092621.db2.gz PFDMRVLZOIDKBQ-LDYMZIIASA-N 0 3 278.264 1.070 20 5 CDBDHN COc1cccc2c(C(=O)OCC(C)[N+](=O)[O-])cnn21 ZINC000893046403 618093615 /nfs/dbraw/zinc/09/36/15/618093615.db2.gz ASMWQOGIDYCISL-MRVPVSSYSA-N 0 3 279.252 1.165 20 5 CDBDHN COc1ccccc1[C@@H](CNCC[N+](=O)[O-])N1CCCC1 ZINC000899860854 622487890 /nfs/dbraw/zinc/48/78/90/622487890.db2.gz VRPVFGMJJPZUEY-CQSZACIVSA-N 0 3 293.367 1.698 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC/C=C/Cl)c1 ZINC000905708724 626935152 /nfs/dbraw/zinc/93/51/52/626935152.db2.gz SJKYZTCUZJJJDN-DGXRNCNBSA-N 0 3 256.689 1.970 20 5 CDBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000910295338 629004164 /nfs/dbraw/zinc/00/41/64/629004164.db2.gz ZXJOSMWJSGZSNN-LLVKDONJSA-N 0 3 294.355 1.490 20 5 CDBDHN CC1(C)CN(CC[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000929531476 630671071 /nfs/dbraw/zinc/67/10/71/630671071.db2.gz RNLVVZDHKQVHJF-UHFFFAOYSA-N 0 3 277.368 1.860 20 5 CDBDHN COc1ccc(C[C@H](C)NC2(C)COC2)c([N+](=O)[O-])c1 ZINC001170297214 1162328013 /nfs/dbraw/zinc/32/80/13/1162328013.db2.gz MESZCEYAYODISA-JTQLQIEISA-N 0 3 280.324 1.913 20 5 CDBDHN Cc1cnc(N[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000133584271 1175806148 /nfs/dbraw/zinc/80/61/48/1175806148.db2.gz VCFUJFSGNYPJMK-NSHDSACASA-N 0 3 262.313 1.804 20 5 CDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000401308545 1186410460 /nfs/dbraw/zinc/41/04/60/1186410460.db2.gz UMXYIJUXMPRIFD-LPEHRKFASA-N 0 3 280.328 1.144 20 5 CDBDHN CC(COC(=O)c1cnnn1-c1cccc(F)c1)[N+](=O)[O-] ZINC000813110537 1163815738 /nfs/dbraw/zinc/81/57/38/1163815738.db2.gz CSQOPGXMUXTXBR-QMMMGPOBSA-N 0 3 294.242 1.228 20 5 CDBDHN Cc1nnc(-c2cccc(C(=O)OCC(C)[N+](=O)[O-])c2)o1 ZINC000813106114 728850800 /nfs/dbraw/zinc/85/08/00/728850800.db2.gz YTPWYDQNRBHLRD-MRVPVSSYSA-N 0 3 291.263 1.867 20 5 CDBDHN C[C@@H](NCCN1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000932176657 728861465 /nfs/dbraw/zinc/86/14/65/728861465.db2.gz LHAWKMOSSIMOQK-SNVBAGLBSA-N 0 3 279.296 1.698 20 5 CDBDHN N[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000852760093 728385871 /nfs/dbraw/zinc/38/58/71/728385871.db2.gz AECPORICSFNIML-GHMZBOCLSA-N 0 3 271.267 1.605 20 5 CDBDHN CC(COC(=O)c1ccc(Cn2cncn2)cc1)[N+](=O)[O-] ZINC000813105796 728970692 /nfs/dbraw/zinc/97/06/92/728970692.db2.gz URTFNPUKFSOCRX-SNVBAGLBSA-N 0 3 290.279 1.148 20 5 CDBDHN CN1CCCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891438565 728978564 /nfs/dbraw/zinc/97/85/64/728978564.db2.gz PHRVODWJPXRYLF-UHFFFAOYSA-N 0 3 280.284 1.645 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000092673162 729186040 /nfs/dbraw/zinc/18/60/40/729186040.db2.gz YJDQPKYDVWQABE-LLVKDONJSA-N 0 3 292.339 1.343 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)[N+](=O)[O-] ZINC000813111637 729224766 /nfs/dbraw/zinc/22/47/66/729224766.db2.gz JMQSKKXABBQAFZ-MRVPVSSYSA-N 0 3 292.291 1.738 20 5 CDBDHN C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000715540132 729495670 /nfs/dbraw/zinc/49/56/70/729495670.db2.gz PZSJYIBFKCUIRR-NXEZZACHSA-N 0 3 280.328 1.980 20 5 CDBDHN COC1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277758 729512645 /nfs/dbraw/zinc/51/26/45/729512645.db2.gz RWAPRIHRONDQEK-CQSZACIVSA-N 0 3 280.324 1.739 20 5 CDBDHN CC(COC(=O)c1ccc(C(=O)NC2CC2)cc1)[N+](=O)[O-] ZINC000813109839 729859264 /nfs/dbraw/zinc/85/92/64/729859264.db2.gz WVFZSLDAHKDYER-SECBINFHSA-N 0 3 292.291 1.401 20 5 CDBDHN CC(COC(=O)c1cnc2n1CCCCC2)[N+](=O)[O-] ZINC000857029463 729859274 /nfs/dbraw/zinc/85/92/74/729859274.db2.gz NHOLZIWXZUUISZ-SECBINFHSA-N 0 3 267.285 1.432 20 5 CDBDHN Cc1nn(C)c2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813108436 729971433 /nfs/dbraw/zinc/97/14/33/729971433.db2.gz FVMDFZMTVJBTSK-ZETCQYMHSA-N 0 3 292.295 1.407 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](CF)C2)c1 ZINC000880232873 730016114 /nfs/dbraw/zinc/01/61/14/730016114.db2.gz FPIFFUQVYMSQSY-SNVBAGLBSA-N 0 3 256.281 1.473 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000840250983 730057589 /nfs/dbraw/zinc/05/75/89/730057589.db2.gz GCZSUQOPPOBWCU-MWLCHTKSSA-N 0 3 296.302 1.404 20 5 CDBDHN CC(C)N1CC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226734562 905552847 /nfs/dbraw/zinc/55/28/47/905552847.db2.gz YPOBJSZWVGOECB-SNVBAGLBSA-N 0 3 252.274 1.246 20 5 CDBDHN C[C@H](N)c1ccn(-c2ccc3c(n2)[nH]cc3[N+](=O)[O-])n1 ZINC001169228251 927831201 /nfs/dbraw/zinc/83/12/01/927831201.db2.gz NPJHLZXBWVTREZ-ZETCQYMHSA-N 0 3 272.268 1.677 20 5 CDBDHN COc1cccc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001169232682 927846356 /nfs/dbraw/zinc/84/63/56/927846356.db2.gz IKPBJJWIAUEEHU-MRVPVSSYSA-N 0 3 262.269 1.809 20 5 CDBDHN COc1cc(-n2ccc([C@H](C)N)n2)cnc1[N+](=O)[O-] ZINC001169234512 927847717 /nfs/dbraw/zinc/84/77/17/927847717.db2.gz XSZZVGXCACWOLE-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000796500338 935310399 /nfs/dbraw/zinc/31/03/99/935310399.db2.gz GAROVDABSUHEEY-GFCCVEGCSA-N 0 3 266.297 1.085 20 5 CDBDHN C[C@@H](NC(=O)[C@H](N)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252832 937915546 /nfs/dbraw/zinc/91/55/46/937915546.db2.gz YXSLIPMSMUDYJL-NOZJJQNGSA-N 0 3 277.324 1.899 20 5 CDBDHN CCN1CCN(c2cccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC001158562421 938637279 /nfs/dbraw/zinc/63/72/79/938637279.db2.gz BZBVCVKCKNWXLN-UHFFFAOYSA-N 0 3 264.329 1.910 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CNCCO1 ZINC001159490425 938733028 /nfs/dbraw/zinc/73/30/28/938733028.db2.gz WINIQNLYTWJMRA-GXSJLCMTSA-N 0 3 266.301 1.087 20 5 CDBDHN Cc1cnc(Nc2ccc(CN)nc2)c([N+](=O)[O-])c1 ZINC001160396179 938783864 /nfs/dbraw/zinc/78/38/64/938783864.db2.gz DLHMDFSLAXJJPH-UHFFFAOYSA-N 0 3 259.269 1.896 20 5 CDBDHN NCc1ccnn1-c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162598219 939100271 /nfs/dbraw/zinc/10/02/71/939100271.db2.gz SWWBDYHUYJCTMM-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN COCC[NH+]1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667680 941896667 /nfs/dbraw/zinc/89/66/67/941896667.db2.gz WLWLSRYIWDXRPT-UHFFFAOYSA-N 0 3 297.311 1.185 20 5 CDBDHN CN1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227227709 942152998 /nfs/dbraw/zinc/15/29/98/942152998.db2.gz BZUJNQHCMPPGTD-VIFPVBQESA-N 0 3 263.253 1.819 20 5 CDBDHN Cn1cnc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254565237 947528538 /nfs/dbraw/zinc/52/85/38/947528538.db2.gz CINVBBCIIRCZBW-LBPRGKRZSA-N 0 3 272.308 1.585 20 5 CDBDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC001303798437 956121732 /nfs/dbraw/zinc/12/17/32/956121732.db2.gz BDJRPEISQKOJQJ-GXSJLCMTSA-N 0 3 292.339 1.308 20 5 CDBDHN C[C@H](NC(=O)[C@H](N)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001340994448 963227912 /nfs/dbraw/zinc/22/79/12/963227912.db2.gz HQHNJSBIMFKTCE-OIBJUYFYSA-N 0 3 287.266 1.755 20 5 CDBDHN Cn1c(CCNCC[N+](=O)[O-])nc2c1cccc2F ZINC001353287696 967863612 /nfs/dbraw/zinc/86/36/12/967863612.db2.gz PNCDUHRTWBQMEV-UHFFFAOYSA-N 0 3 266.276 1.121 20 5 CDBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000601184363 342489153 /nfs/dbraw/zinc/48/91/53/342489153.db2.gz LAYVWFRLEWKYGX-MNOVXSKESA-N 0 3 262.313 1.378 20 5 CDBDHN CCN(C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000609045784 342088084 /nfs/dbraw/zinc/08/80/84/342088084.db2.gz LGWCVMNSPUEJJU-UHFFFAOYSA-N 0 3 295.339 1.214 20 5 CDBDHN O=C1NCCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000590971923 342612308 /nfs/dbraw/zinc/61/23/08/342612308.db2.gz WXQIVONXPCAMDW-LLVKDONJSA-N 0 3 263.297 1.211 20 5 CDBDHN CC1(C)CN[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000591670600 342641242 /nfs/dbraw/zinc/64/12/42/342641242.db2.gz DBEIZGXQZBNSLN-GFCCVEGCSA-N 0 3 292.339 1.121 20 5 CDBDHN COc1ccc(OCCN(C)[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593107839 342768786 /nfs/dbraw/zinc/76/87/86/342768786.db2.gz OWECWFFZNZNEBF-NSHDSACASA-N 0 3 298.339 1.685 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000108344079 349736670 /nfs/dbraw/zinc/73/66/70/349736670.db2.gz ZVRWGTSFYSUXSI-LLVKDONJSA-N 0 3 277.324 1.666 20 5 CDBDHN Cc1ccc(NC(=O)[C@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000294978968 199281600 /nfs/dbraw/zinc/28/16/00/199281600.db2.gz GUEUBMKFJIBALF-VIFPVBQESA-N 0 3 263.297 1.982 20 5 CDBDHN CC[C@H](NC)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595953229 343195232 /nfs/dbraw/zinc/19/52/32/343195232.db2.gz YCYZXQBLVMSXFK-VIFPVBQESA-N 0 3 267.285 1.540 20 5 CDBDHN CC(C)[NH2+][C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596098245 343235674 /nfs/dbraw/zinc/23/56/74/343235674.db2.gz JKDRVUQVUUVZNX-SNVBAGLBSA-N 0 3 280.328 1.662 20 5 CDBDHN CN(CCC[NH+]1CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596226274 343272299 /nfs/dbraw/zinc/27/22/99/343272299.db2.gz RBVKCSACEBQUOW-UHFFFAOYSA-N 0 3 280.328 1.618 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N(C)CCN1CCCC1 ZINC000092649975 342415793 /nfs/dbraw/zinc/41/57/93/342415793.db2.gz ULOMLUKILRNTCJ-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN CCc1nn(C)c(N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000094154259 342429973 /nfs/dbraw/zinc/42/99/73/342429973.db2.gz JFOPBQMHMXYPHO-LLVKDONJSA-N 0 3 293.371 1.565 20 5 CDBDHN CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000341015437 365744400 /nfs/dbraw/zinc/74/44/00/365744400.db2.gz QRZZXBTYEQGOBX-YPMHNXCESA-N 0 3 250.298 1.798 20 5 CDBDHN COc1ccc(CN[C@@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000228112725 536896040 /nfs/dbraw/zinc/89/60/40/536896040.db2.gz PBLHYCYWQXXGSX-UWVGGRQHSA-N 0 3 268.313 1.852 20 5 CDBDHN Cc1c(CC(=O)NC(C)(C)CN(C)C)cccc1[N+](=O)[O-] ZINC000457214028 365772386 /nfs/dbraw/zinc/77/23/86/365772386.db2.gz WHNWTNHITMGDAF-UHFFFAOYSA-N 0 3 293.367 1.902 20 5 CDBDHN C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000598646665 343856354 /nfs/dbraw/zinc/85/63/54/343856354.db2.gz WINVFKOECNRMSJ-OLZOCXBDSA-N 0 3 294.351 1.924 20 5 CDBDHN COC[C@H](O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000231604237 362328867 /nfs/dbraw/zinc/32/88/67/362328867.db2.gz CLZOAXXMPIDAHH-GFCCVEGCSA-N 0 3 254.286 1.082 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C[C@H]1C ZINC000602782726 344598020 /nfs/dbraw/zinc/59/80/20/344598020.db2.gz WHKOLDUVHCGNSC-NXEZZACHSA-N 0 3 252.318 1.830 20 5 CDBDHN CC[C@]1(CO)CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602814023 344605396 /nfs/dbraw/zinc/60/53/96/344605396.db2.gz BNJFBIUCDOIRBC-CYBMUJFWSA-N 0 3 282.344 1.337 20 5 CDBDHN CC[C@@]1(CO)CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602814025 344605678 /nfs/dbraw/zinc/60/56/78/344605678.db2.gz BNJFBIUCDOIRBC-ZDUSSCGKSA-N 0 3 282.344 1.337 20 5 CDBDHN CCN1CCN([C@H](C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC000603856170 344840848 /nfs/dbraw/zinc/84/08/48/344840848.db2.gz WKKFYFWGIVANDE-GFCCVEGCSA-N 0 3 293.371 1.428 20 5 CDBDHN Cc1sccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000293226732 362541657 /nfs/dbraw/zinc/54/16/57/362541657.db2.gz KJLRUNWEHINJFI-UHFFFAOYSA-N 0 3 266.326 1.951 20 5 CDBDHN COc1cc(C[NH2+]C[C@@](C)(O)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000344414415 362753170 /nfs/dbraw/zinc/75/31/70/362753170.db2.gz YGKPVSPFFKJTKP-CQSZACIVSA-N 0 3 296.323 1.560 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000086467400 179296922 /nfs/dbraw/zinc/29/69/22/179296922.db2.gz FPCOZYXVIWAJCB-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN Cc1cc(C(=O)NC[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000108903482 186235634 /nfs/dbraw/zinc/23/56/34/186235634.db2.gz BHVNRSQSXSINND-NSHDSACASA-N 0 3 277.324 1.585 20 5 CDBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000110992293 186340097 /nfs/dbraw/zinc/34/00/97/186340097.db2.gz YUFVXNOWRIAOAV-SNVBAGLBSA-N 0 3 281.312 1.792 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(CC3CC3)C2)s1 ZINC000619695607 350835475 /nfs/dbraw/zinc/83/54/75/350835475.db2.gz RSEALRVHFMARTC-VIFPVBQESA-N 0 3 268.342 1.948 20 5 CDBDHN CNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000111265090 186381984 /nfs/dbraw/zinc/38/19/84/186381984.db2.gz KZLFDBWRTXQXGI-GFCCVEGCSA-N 0 3 277.324 1.553 20 5 CDBDHN Cn1nncc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000121997969 187009596 /nfs/dbraw/zinc/00/95/96/187009596.db2.gz NZCSYWFMYSBCKZ-UHFFFAOYSA-N 0 3 261.285 1.056 20 5 CDBDHN C[C@@]1(O)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123888625 187113467 /nfs/dbraw/zinc/11/34/67/187113467.db2.gz KDKLPUPMEIDIHV-CQSZACIVSA-N 0 3 280.324 1.820 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCSC1 ZINC000152634285 188034318 /nfs/dbraw/zinc/03/43/18/188034318.db2.gz UWMNQDGHSJYPAL-LLVKDONJSA-N 0 3 283.353 1.194 20 5 CDBDHN CCC[C@@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000237006662 363265084 /nfs/dbraw/zinc/26/50/84/363265084.db2.gz BFZAETBZURLRSR-LLVKDONJSA-N 0 3 295.295 1.447 20 5 CDBDHN CN(C)C(=O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000411931921 363382752 /nfs/dbraw/zinc/38/27/52/363382752.db2.gz IKTOZWABFVBOJE-GFCCVEGCSA-N 0 3 277.324 1.505 20 5 CDBDHN Cc1ccc(C(=O)NCC2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271872255 191379991 /nfs/dbraw/zinc/37/99/91/191379991.db2.gz LQNFCILOOYNINS-UHFFFAOYSA-N 0 3 289.335 1.895 20 5 CDBDHN Cc1cnc(CNCCc2cccc([N+](=O)[O-])c2)n1C ZINC000341289429 357221940 /nfs/dbraw/zinc/22/19/40/357221940.db2.gz SOHFOSKNKBCZSS-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN Cc1nccn1CCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000119271908 357350946 /nfs/dbraw/zinc/35/09/46/357350946.db2.gz BMGMOLXNYAIHMI-UHFFFAOYSA-N 0 3 292.299 1.033 20 5 CDBDHN COc1cc(C[NH2+]CC[C@@H](C)CCO)c([N+](=O)[O-])cc1[O-] ZINC000294671090 199127477 /nfs/dbraw/zinc/12/74/77/199127477.db2.gz ANYKTVVOENGMGD-SNVBAGLBSA-N 0 3 298.339 1.807 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)CCN(C)C ZINC000192642966 358223764 /nfs/dbraw/zinc/22/37/64/358223764.db2.gz WOSYXIXGQHLMQH-UHFFFAOYSA-N 0 3 255.322 1.117 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NC(=O)C1CCN(C2CC2)CC1 ZINC000192840694 358241263 /nfs/dbraw/zinc/24/12/63/358241263.db2.gz WRVNFKSBPKDLEL-UHFFFAOYSA-N 0 3 293.327 1.141 20 5 CDBDHN CC(C)(N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000236790074 366392993 /nfs/dbraw/zinc/39/29/93/366392993.db2.gz MEPOYSULQFFORY-UHFFFAOYSA-N 0 3 279.340 1.771 20 5 CDBDHN Cc1c(CN2CC[C@](C)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000361558433 358319260 /nfs/dbraw/zinc/31/92/60/358319260.db2.gz WVAFGFSPLMTDQU-AWEZNQCLSA-N 0 3 277.324 1.601 20 5 CDBDHN CCCCN(CCOC)CCn1ccc([N+](=O)[O-])n1 ZINC000176238207 358745505 /nfs/dbraw/zinc/74/55/05/358745505.db2.gz PXWKFWVVKHDTMK-UHFFFAOYSA-N 0 3 270.333 1.540 20 5 CDBDHN NC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC000296817559 200006727 /nfs/dbraw/zinc/00/67/27/200006727.db2.gz NGSKVWGWMVOJDG-UHFFFAOYSA-N 0 3 263.297 1.135 20 5 CDBDHN C[C@@H]1C[C@@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340905704 363696534 /nfs/dbraw/zinc/69/65/34/363696534.db2.gz OKFQJADMWGNXMO-ZYHUDNBSSA-N 0 3 266.297 1.429 20 5 CDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]1CN1CCCC1 ZINC000548085617 360090628 /nfs/dbraw/zinc/09/06/28/360090628.db2.gz LWPYSODVRNIEKF-JTQLQIEISA-N 0 3 293.327 1.018 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177176366 189034294 /nfs/dbraw/zinc/03/42/94/189034294.db2.gz WWXQDJPPHQQPAR-GHMZBOCLSA-N 0 3 289.335 1.950 20 5 CDBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCOC1 ZINC000348150316 360525012 /nfs/dbraw/zinc/52/50/12/360525012.db2.gz XWDBCMMKRABMFE-NXEZZACHSA-N 0 3 268.317 1.233 20 5 CDBDHN CC(C)N(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178564423 189127334 /nfs/dbraw/zinc/12/73/34/189127334.db2.gz ANICHBLQXLLKON-ZDUSSCGKSA-N 0 3 268.313 1.331 20 5 CDBDHN CC(C)(C)[C@@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000180633811 189266877 /nfs/dbraw/zinc/26/68/77/189266877.db2.gz KIFTVWSUALDXRI-GFCCVEGCSA-N 0 3 295.339 1.530 20 5 CDBDHN N[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000399234456 361393632 /nfs/dbraw/zinc/39/36/32/361393632.db2.gz QLGLMZSWQVPSDG-LBPRGKRZSA-N 0 3 263.297 1.338 20 5 CDBDHN CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000053251026 361402811 /nfs/dbraw/zinc/40/28/11/361402811.db2.gz LHCHQCJUFMMNAL-NSHDSACASA-N 0 3 292.339 1.343 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000345813497 363966609 /nfs/dbraw/zinc/96/66/09/363966609.db2.gz GDUGWFVPNGJAHU-OLZOCXBDSA-N 0 3 277.324 1.599 20 5 CDBDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270871997 366938901 /nfs/dbraw/zinc/93/89/01/366938901.db2.gz JIBJUMBNILWFCC-YPMHNXCESA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000272471897 367739161 /nfs/dbraw/zinc/73/91/61/367739161.db2.gz ABHGYYFPJWGENV-WDEREUQCSA-N 0 3 292.339 1.216 20 5 CDBDHN CC(C)[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766505 370079295 /nfs/dbraw/zinc/07/92/95/370079295.db2.gz PHYGLOHTLYVZOH-SKDRFNHKSA-N 0 3 265.313 1.755 20 5 CDBDHN CN(CCn1cnc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000295725986 370599547 /nfs/dbraw/zinc/59/95/47/370599547.db2.gz LLIZWVQJBIDWMX-UHFFFAOYSA-N 0 3 260.297 1.923 20 5 CDBDHN CC[C@H](CO)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000295700026 370575376 /nfs/dbraw/zinc/57/53/76/370575376.db2.gz MIACJHZRUHHLNF-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]2CO)c1 ZINC000269638121 373237212 /nfs/dbraw/zinc/23/72/12/373237212.db2.gz IECOTFYYDJRBAZ-STQMWFEESA-N 0 3 266.297 1.085 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330541234 373698264 /nfs/dbraw/zinc/69/82/64/373698264.db2.gz SITMZHRPGNMEIZ-UHFFFAOYSA-N 0 3 266.301 1.091 20 5 CDBDHN O=C(N[C@H]1CCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000298523131 373750221 /nfs/dbraw/zinc/75/02/21/373750221.db2.gz ZMEXEXMKQZDPNA-UWVGGRQHSA-N 0 3 279.296 1.544 20 5 CDBDHN Cc1cc(NC(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000298708536 373805888 /nfs/dbraw/zinc/80/58/88/373805888.db2.gz JONCPSUICBXAGE-SNVBAGLBSA-N 0 3 280.328 1.975 20 5 CDBDHN Cc1nc(NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000161508243 373784269 /nfs/dbraw/zinc/78/42/69/373784269.db2.gz YCFIPUSFEMWKJZ-UHFFFAOYSA-N 0 3 250.302 1.806 20 5 CDBDHN C[C@H]1C[C@@H](CO)CN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952502 374307838 /nfs/dbraw/zinc/30/78/38/374307838.db2.gz XZJKGGLJQJYRMJ-QWHCGFSZSA-N 0 3 294.351 1.924 20 5 CDBDHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056163 374377301 /nfs/dbraw/zinc/37/73/01/374377301.db2.gz OYVPLWGPRARDCP-NWDGAFQWSA-N 0 3 293.371 1.387 20 5 CDBDHN CC[C@H](NC[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523853 374389003 /nfs/dbraw/zinc/38/90/03/374389003.db2.gz NUJZHNCRLJXNHQ-KGLIPLIRSA-N 0 3 279.340 1.624 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000351952731 374699264 /nfs/dbraw/zinc/69/92/64/374699264.db2.gz XCTLWHXGGOBVLV-GXFFZTMASA-N 0 3 266.297 1.286 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351952730 374699771 /nfs/dbraw/zinc/69/97/71/374699771.db2.gz XCTLWHXGGOBVLV-GWCFXTLKSA-N 0 3 266.297 1.286 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1(CN(C)C)CCC1 ZINC000332470567 375032480 /nfs/dbraw/zinc/03/24/80/375032480.db2.gz RZNXLNBCTQKNAD-UHFFFAOYSA-N 0 3 292.339 1.512 20 5 CDBDHN CN(C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131629597 375299139 /nfs/dbraw/zinc/29/91/39/375299139.db2.gz XFVYJUXCJJTZJY-UHFFFAOYSA-N 0 3 255.249 1.025 20 5 CDBDHN CS[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000296277060 375301361 /nfs/dbraw/zinc/30/13/61/375301361.db2.gz MOMXILVSSDNPCB-LLVKDONJSA-N 0 3 283.353 1.194 20 5 CDBDHN C[C@H](NC[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000293992287 375593128 /nfs/dbraw/zinc/59/31/28/375593128.db2.gz CBASWHAWTSCVOH-GDLCADMTSA-N 0 3 280.324 1.785 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000353497338 375619434 /nfs/dbraw/zinc/61/94/34/375619434.db2.gz SACJVSTYOZGKIG-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN COc1ccc(CNC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000133166163 375706446 /nfs/dbraw/zinc/70/64/46/375706446.db2.gz YMECDWLMMKDOAZ-UHFFFAOYSA-N 0 3 266.297 1.608 20 5 CDBDHN Cc1ccc(NC(=O)[C@H](N)C2CCOCC2)cc1[N+](=O)[O-] ZINC000262061332 190047595 /nfs/dbraw/zinc/04/75/95/190047595.db2.gz RRDGCMGCCCNLNV-CYBMUJFWSA-N 0 3 293.323 1.596 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296523667 376344376 /nfs/dbraw/zinc/34/43/76/376344376.db2.gz SFIVDCZBGKWGLY-VHSXEESVSA-N 0 3 277.324 1.913 20 5 CDBDHN COCCN1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000264593349 190121284 /nfs/dbraw/zinc/12/12/84/190121284.db2.gz MBPSLPLUBIKIOM-LLVKDONJSA-N 0 3 285.369 1.467 20 5 CDBDHN CN(C)C/C=C/C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000265589854 190192039 /nfs/dbraw/zinc/19/20/39/190192039.db2.gz ALHCKDQCTRECDE-VMPITWQZSA-N 0 3 263.297 1.329 20 5 CDBDHN C[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000173306646 378123051 /nfs/dbraw/zinc/12/30/51/378123051.db2.gz GWHUKJYKIJSBCQ-OLZOCXBDSA-N 0 3 293.367 1.966 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)N ZINC000040923524 378975143 /nfs/dbraw/zinc/97/51/43/378975143.db2.gz VEBNWYOSIVQZPB-UHFFFAOYSA-N 0 3 251.286 1.291 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@]2(O)CCSC2)c1 ZINC000267087531 190303041 /nfs/dbraw/zinc/30/30/41/190303041.db2.gz TZAPZOACWZHEHG-GFCCVEGCSA-N 0 3 268.338 1.552 20 5 CDBDHN C[C@H](NC(=O)/C=C\CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000491880768 253111656 /nfs/dbraw/zinc/11/16/56/253111656.db2.gz FCSILJAQCQOBRW-OFSNVTPPSA-N 0 3 277.324 1.890 20 5 CDBDHN COCC[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000281114905 285166978 /nfs/dbraw/zinc/16/69/78/285166978.db2.gz ADXTYJWDBVZDQN-CMPLNLGQSA-N 0 3 268.313 1.643 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H](CO)CN2CCCCC2)cc1 ZINC000288832420 197175052 /nfs/dbraw/zinc/17/50/52/197175052.db2.gz BUEBUHONVSMRMV-ZDUSSCGKSA-N 0 3 279.340 1.854 20 5 CDBDHN COCCN1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000288538616 197106262 /nfs/dbraw/zinc/10/62/62/197106262.db2.gz SFJMVROCCUVCDT-UHFFFAOYSA-N 0 3 294.355 1.700 20 5 CDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000288425989 197074397 /nfs/dbraw/zinc/07/43/97/197074397.db2.gz OALKQGLKFLHEKV-NXEZZACHSA-N 0 3 293.327 1.017 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)c1 ZINC000080393060 177649762 /nfs/dbraw/zinc/64/97/62/177649762.db2.gz XYQMYMMPGHJOQI-UHFFFAOYSA-N 0 3 281.312 1.237 20 5 CDBDHN C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N(C)C ZINC000286107435 390192344 /nfs/dbraw/zinc/19/23/44/390192344.db2.gz LLQHITHBISLWFT-ZETCQYMHSA-N 0 3 281.341 1.962 20 5 CDBDHN CN1CCN(CCNc2ccc([N+](=O)[O-])cn2)CC1(C)C ZINC000281600728 195303710 /nfs/dbraw/zinc/30/37/10/195303710.db2.gz HXSRXWVBNZBXND-UHFFFAOYSA-N 0 3 293.371 1.428 20 5 CDBDHN CN(C)CC1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000281686582 195337234 /nfs/dbraw/zinc/33/72/34/195337234.db2.gz LECWQFHNMMHYFM-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2CO)cc1 ZINC000049750848 390472511 /nfs/dbraw/zinc/47/25/11/390472511.db2.gz GJTMULIAJCZBBC-ZDUSSCGKSA-N 0 3 250.298 1.942 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCO)C2)cc1 ZINC000451543744 390630860 /nfs/dbraw/zinc/63/08/60/390630860.db2.gz CLASFCMQDDTGIN-LBPRGKRZSA-N 0 3 250.298 1.767 20 5 CDBDHN Cc1ccc(CN(C[C@@H](O)CO)C(C)C)cc1[N+](=O)[O-] ZINC000421400385 390636284 /nfs/dbraw/zinc/63/62/84/390636284.db2.gz BSUVIRGTERHXET-CYBMUJFWSA-N 0 3 282.340 1.467 20 5 CDBDHN Cc1c(C(=O)N[C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000286915102 390815058 /nfs/dbraw/zinc/81/50/58/390815058.db2.gz HXJQXQLVCOCKGI-VIFPVBQESA-N 0 3 265.313 1.583 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460249 391038737 /nfs/dbraw/zinc/03/87/37/391038737.db2.gz DXUXMVRYSZGNMI-GXSJLCMTSA-N 0 3 292.339 1.146 20 5 CDBDHN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000189718318 391792316 /nfs/dbraw/zinc/79/23/16/391792316.db2.gz MDHFIZDETZNMER-ZWNOBZJWSA-N 0 3 250.298 1.798 20 5 CDBDHN CCCc1n[nH]c(C(=O)NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000416302604 391985182 /nfs/dbraw/zinc/98/51/82/391985182.db2.gz PBTJKWAWNJYMDF-UHFFFAOYSA-N 0 3 295.343 1.094 20 5 CDBDHN O=C(CNC[C@H]1CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000232740160 130926483 /nfs/dbraw/zinc/92/64/83/130926483.db2.gz JKYZXEPYIXAQRM-GFCCVEGCSA-N 0 3 279.296 1.302 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000268967193 132094203 /nfs/dbraw/zinc/09/42/03/132094203.db2.gz KOBSEBZYTUCVAF-SNVBAGLBSA-N 0 3 251.286 1.098 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CN1C1CC1 ZINC000531005136 393056786 /nfs/dbraw/zinc/05/67/86/393056786.db2.gz DOKUCUZXAODXPM-VHSXEESVSA-N 0 3 292.339 1.288 20 5 CDBDHN COC(C)(C)CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000532340029 393071463 /nfs/dbraw/zinc/07/14/63/393071463.db2.gz GJDZSYSAYHUBJM-UHFFFAOYSA-N 0 3 256.306 1.148 20 5 CDBDHN CN(C)CC1(NC(=O)Nc2ccncc2[N+](=O)[O-])CCC1 ZINC000281905756 393161608 /nfs/dbraw/zinc/16/16/08/393161608.db2.gz IKZBIHTZBPFMJW-UHFFFAOYSA-N 0 3 293.327 1.596 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343458071 152187479 /nfs/dbraw/zinc/18/74/79/152187479.db2.gz VWOYUIORVSVVFK-MFKMUULPSA-N 0 3 277.324 1.807 20 5 CDBDHN CCCN1CCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000343948583 152366376 /nfs/dbraw/zinc/36/63/76/152366376.db2.gz IGCSOQDHJDLPFJ-NSHDSACASA-N 0 3 281.360 1.923 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000346130205 153062487 /nfs/dbraw/zinc/06/24/87/153062487.db2.gz GOCIFVRUWDZHFW-SSDOTTSWSA-N 0 3 257.315 1.336 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000346232088 153107093 /nfs/dbraw/zinc/10/70/93/153107093.db2.gz VADXLTRNFDXXTN-SNVBAGLBSA-N 0 3 265.313 1.204 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1COCCO1 ZINC000349908075 154268104 /nfs/dbraw/zinc/26/81/04/154268104.db2.gz SOWOTXYYHIEIRY-ZDUSSCGKSA-N 0 3 266.297 1.408 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285634541 196350973 /nfs/dbraw/zinc/35/09/73/196350973.db2.gz XKONMKPEVMEBSZ-GFCCVEGCSA-N 0 3 266.297 1.085 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044538561 175199691 /nfs/dbraw/zinc/19/96/91/175199691.db2.gz MPEOVDHPSKQWIQ-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN CCNCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000044650201 175224436 /nfs/dbraw/zinc/22/44/36/175224436.db2.gz XOLOSVPGVMFOIN-UHFFFAOYSA-N 0 3 251.286 1.163 20 5 CDBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCNCC1 ZINC000236140246 275040597 /nfs/dbraw/zinc/04/05/97/275040597.db2.gz YXSXMHPEYNBMEG-UHFFFAOYSA-N 0 3 276.218 1.418 20 5 CDBDHN C[C@H](NCCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296745724 279469610 /nfs/dbraw/zinc/46/96/10/279469610.db2.gz PGXLUJDTESKVRO-NSHDSACASA-N 0 3 277.324 1.868 20 5 CDBDHN C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000038083202 279486240 /nfs/dbraw/zinc/48/62/40/279486240.db2.gz GECCNZUMEILSOM-WDEREUQCSA-N 0 3 298.364 1.680 20 5 CDBDHN COc1ccc(CNC[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316515567 280629828 /nfs/dbraw/zinc/62/98/28/280629828.db2.gz YMGUFOPAGOSIPR-CYBMUJFWSA-N 0 3 280.324 1.854 20 5 CDBDHN CN1CC[C@@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000349895320 316140833 /nfs/dbraw/zinc/14/08/33/316140833.db2.gz XJYATKOIRQEXBX-LLVKDONJSA-N 0 3 288.307 1.988 20 5 CDBDHN O=C(CNC1CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000576029054 317060717 /nfs/dbraw/zinc/06/07/17/317060717.db2.gz OCFNUURYGCRPOK-UHFFFAOYSA-N 0 3 283.715 1.616 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000382949945 323654974 /nfs/dbraw/zinc/65/49/74/323654974.db2.gz LJLCUCBQWBDBGB-SECBINFHSA-N 0 3 263.297 1.352 20 5 CDBDHN C[C@@H]1CCCN1CCNc1c([N+](=O)[O-])cnn1C ZINC000892715377 1159534849 /nfs/dbraw/zinc/53/48/49/1159534849.db2.gz ZCAHPVXFJIANJJ-SECBINFHSA-N 0 3 253.306 1.225 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000112926749 520233856 /nfs/dbraw/zinc/23/38/56/520233856.db2.gz OVKRFMYXBICGEK-UHFFFAOYSA-N 0 3 297.380 1.998 20 5 CDBDHN CCN(CC)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000339992815 520579002 /nfs/dbraw/zinc/57/90/02/520579002.db2.gz DARDJRHLRUQBAO-UHFFFAOYSA-N 0 3 294.355 1.465 20 5 CDBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269670576 528670724 /nfs/dbraw/zinc/67/07/24/528670724.db2.gz UNQFXWBNDVLIJH-CYBMUJFWSA-N 0 3 282.340 1.721 20 5 CDBDHN CC(C)[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269097659 535056304 /nfs/dbraw/zinc/05/63/04/535056304.db2.gz MWPOYKBRYDXONV-NSHDSACASA-N 0 3 285.731 1.848 20 5 CDBDHN CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412162606 535849689 /nfs/dbraw/zinc/84/96/89/535849689.db2.gz RFCTXVNDWJUKEE-UONOGXRCSA-N 0 3 291.351 1.718 20 5 CDBDHN C[C@@H](N[C@H](CO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763062113 576706339 /nfs/dbraw/zinc/70/63/39/576706339.db2.gz ACQVHPFDBCAAKN-NOZJJQNGSA-N 0 3 293.323 1.282 20 5 CDBDHN COc1cc(OC)c(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813108274 617345243 /nfs/dbraw/zinc/34/52/43/617345243.db2.gz XCCWKQQZWAPCKL-MRVPVSSYSA-N 0 3 299.279 1.534 20 5 CDBDHN CN(C)Cc1cccc(C(=O)OCC(C)(C)[N+](=O)[O-])c1 ZINC000851130163 617577329 /nfs/dbraw/zinc/57/73/29/617577329.db2.gz SDENFTPOUYMOHU-UHFFFAOYSA-N 0 3 280.324 1.960 20 5 CDBDHN Cc1cc(N[C@@H](C)[C@@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246950 619493390 /nfs/dbraw/zinc/49/33/90/619493390.db2.gz DFQZCRFTERHUQM-WFASDCNBSA-N 0 3 292.383 1.949 20 5 CDBDHN Cc1cc(N[C@H](C)[C@@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246947 619493923 /nfs/dbraw/zinc/49/39/23/619493923.db2.gz DFQZCRFTERHUQM-DOMZBBRYSA-N 0 3 292.383 1.949 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC[C@H](O)C2CC2)c(F)c1 ZINC000898204792 621361425 /nfs/dbraw/zinc/36/14/25/621361425.db2.gz YVAJIYXDYXIPCC-ZDUSSCGKSA-N 0 3 268.288 1.985 20 5 CDBDHN COc1cc(OC)c(C[C@@H](C)NCC[N+](=O)[O-])c(OC)c1 ZINC000905273849 626729353 /nfs/dbraw/zinc/72/93/53/626729353.db2.gz PUOJHXNRMLRWCO-SNVBAGLBSA-N 0 3 298.339 1.510 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC/C=C\Cl ZINC000905708483 626935339 /nfs/dbraw/zinc/93/53/39/626935339.db2.gz PGCDCGXKCGEWIG-XICOKMJESA-N 0 3 286.715 1.677 20 5 CDBDHN C[C@@H]1CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905976039 627064995 /nfs/dbraw/zinc/06/49/95/627064995.db2.gz XNNMNQKVPCMXHS-GHMZBOCLSA-N 0 3 266.297 1.429 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cnco1 ZINC001132027069 1163152498 /nfs/dbraw/zinc/15/24/98/1163152498.db2.gz XYSDIHFMGWVKAA-UHFFFAOYSA-N 0 3 290.279 1.102 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(Cc3ccco3)CC2)C1 ZINC001169029698 1161997653 /nfs/dbraw/zinc/99/76/53/1161997653.db2.gz VGSHSDMUYAWCIX-KBPBESRZSA-N 0 3 293.367 1.843 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](N)CC1CC1 ZINC001578478400 1171929341 /nfs/dbraw/zinc/92/93/41/1171929341.db2.gz FHPTWVXMXFKLPY-AWEZNQCLSA-N 0 3 291.351 1.723 20 5 CDBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCNCC2(C)C)n1 ZINC001579642628 1172232156 /nfs/dbraw/zinc/23/21/56/1172232156.db2.gz NCLAZOOLXVXBQO-UHFFFAOYSA-N 0 3 278.312 1.122 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2CCO)c1 ZINC000778267219 730689121 /nfs/dbraw/zinc/68/91/21/730689121.db2.gz CECLBYOSBOVYNC-GXTWGEPZSA-N 0 3 280.324 1.475 20 5 CDBDHN C[C@H](O)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092355 730700726 /nfs/dbraw/zinc/70/07/26/730700726.db2.gz DPIBLAOQGUVLHU-HZMBPMFUSA-N 0 3 280.324 1.473 20 5 CDBDHN CO[C@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453937 730861402 /nfs/dbraw/zinc/86/14/02/730861402.db2.gz IKQWZMRCOHCDAR-ZYHUDNBSSA-N 0 3 267.281 1.453 20 5 CDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1-n1cncn1 ZINC000813112206 730896954 /nfs/dbraw/zinc/89/69/54/730896954.db2.gz NRTSNAQSLGQJHX-SNVBAGLBSA-N 0 3 290.279 1.398 20 5 CDBDHN Cc1nc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc2o1 ZINC000813113357 731077335 /nfs/dbraw/zinc/07/73/35/731077335.db2.gz ZHHAVVULDAXGDH-ZETCQYMHSA-N 0 3 264.237 1.958 20 5 CDBDHN COC[C@@H](NCc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886273509 731191825 /nfs/dbraw/zinc/19/18/25/731191825.db2.gz AFZUUKKBKOZRNG-CYBMUJFWSA-N 0 3 295.339 1.521 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CNCCO3)n2)cc1 ZINC000091294951 731502015 /nfs/dbraw/zinc/50/20/15/731502015.db2.gz BQLFAUUVMSHHTM-LLVKDONJSA-N 0 3 290.279 1.176 20 5 CDBDHN C[C@H](N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000124353287 731710935 /nfs/dbraw/zinc/71/09/35/731710935.db2.gz GYOPVRRPFJMMBY-VIFPVBQESA-N 0 3 261.285 1.449 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](C2OCCO2)C1 ZINC000719068235 731867841 /nfs/dbraw/zinc/86/78/41/731867841.db2.gz SPECZJCPRQXMGP-GFCCVEGCSA-N 0 3 278.308 1.790 20 5 CDBDHN CC(COC(=O)c1ccc(NC(=O)C2CC2)cc1)[N+](=O)[O-] ZINC000813115274 731897776 /nfs/dbraw/zinc/89/77/76/731897776.db2.gz OEECPVDAPQYNDZ-SECBINFHSA-N 0 3 292.291 1.857 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CSCCN3)n2)o1 ZINC000843238399 732121287 /nfs/dbraw/zinc/12/12/87/732121287.db2.gz QUSDIPGEPSEKPV-ZETCQYMHSA-N 0 3 296.308 1.485 20 5 CDBDHN C[C@H](NC[C@H]1CCC(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000851897840 732458636 /nfs/dbraw/zinc/45/86/36/732458636.db2.gz RKWFGRXFZLXNEM-JOYOIKCWSA-N 0 3 264.281 1.951 20 5 CDBDHN Cc1oc(-c2ccco2)nc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813104801 732724632 /nfs/dbraw/zinc/72/46/32/732724632.db2.gz HRTIXBXZVWHZMK-QMMMGPOBSA-N 0 3 294.263 1.994 20 5 CDBDHN CSc1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000842802023 733120793 /nfs/dbraw/zinc/12/07/93/733120793.db2.gz QCSPXHFMSNYCTR-ZETCQYMHSA-N 0 3 256.283 1.626 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NCc1cccnn1)CNC2 ZINC001167327497 895279873 /nfs/dbraw/zinc/27/98/73/895279873.db2.gz GEKSTWAOIHUHDZ-UHFFFAOYSA-N 0 3 271.280 1.600 20 5 CDBDHN CO[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581266 927754969 /nfs/dbraw/zinc/75/49/69/927754969.db2.gz GIAJPMIESNXSQR-KBPBESRZSA-N 0 3 280.324 1.739 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ncnc3sc([N+](=O)[O-])cc32)n1 ZINC001169231655 927841232 /nfs/dbraw/zinc/84/12/32/927841232.db2.gz OXONLRHCRFNGHC-ZCFIWIBFSA-N 0 3 290.308 1.805 20 5 CDBDHN Cc1cc(Cl)c(-n2nncc2CN)c([N+](=O)[O-])c1 ZINC001169311722 927949142 /nfs/dbraw/zinc/94/91/42/927949142.db2.gz SVNRIZPOEVHDBU-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN C[NH+](C)C[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853244014 927991497 /nfs/dbraw/zinc/99/14/97/927991497.db2.gz AQGNGIKPNHLUMV-SNVBAGLBSA-N 0 3 280.328 1.473 20 5 CDBDHN CCOc1nc(-n2nc(CN)cc2C)ccc1[N+](=O)[O-] ZINC001156042534 938313742 /nfs/dbraw/zinc/31/37/42/938313742.db2.gz LBJLEJYVABPQJU-UHFFFAOYSA-N 0 3 277.284 1.341 20 5 CDBDHN Cc1ccnc(N2C[C@@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157259687 938470282 /nfs/dbraw/zinc/47/02/82/938470282.db2.gz FJPFYHBNHUGPHO-NWDGAFQWSA-N 0 3 276.340 1.829 20 5 CDBDHN COc1cc([N+](=O)[O-])c(-n2cnc(CN)c2)cc1F ZINC001162302613 938975284 /nfs/dbraw/zinc/97/52/84/938975284.db2.gz WJHDBPSWQYAHDX-UHFFFAOYSA-N 0 3 266.232 1.387 20 5 CDBDHN CN1CCC[C@@](C)(Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001162336396 939027302 /nfs/dbraw/zinc/02/73/02/939027302.db2.gz ATBMEGUYJZTHLA-GFCCVEGCSA-N 0 3 265.317 1.468 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC(C)(N(C)C)C1 ZINC001165116931 939511561 /nfs/dbraw/zinc/51/15/61/939511561.db2.gz NEYPPQXMQPOAGI-UHFFFAOYSA-N 0 3 250.302 1.439 20 5 CDBDHN COc1nc(N2CCN(C(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001165199150 939522478 /nfs/dbraw/zinc/52/24/78/939522478.db2.gz JXCAKBRNACKNRQ-LLVKDONJSA-N 0 3 294.355 1.917 20 5 CDBDHN COC(=O)c1cc(CO[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC001223689430 941691478 /nfs/dbraw/zinc/69/14/78/941691478.db2.gz ZWKSBPMVSBGMCS-CYBMUJFWSA-N 0 3 294.307 1.602 20 5 CDBDHN C[N@@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741917 942215688 /nfs/dbraw/zinc/21/56/88/942215688.db2.gz SWXJLDZSUZWVES-VIFPVBQESA-N 0 3 262.269 1.554 20 5 CDBDHN C[N@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741917 942215691 /nfs/dbraw/zinc/21/56/91/942215691.db2.gz SWXJLDZSUZWVES-VIFPVBQESA-N 0 3 262.269 1.554 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700586 942362111 /nfs/dbraw/zinc/36/21/11/942362111.db2.gz UAWZXIPTFMHYMS-JTQLQIEISA-N 0 3 262.337 1.340 20 5 CDBDHN CCn1nc(C2CC2)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001525759477 970983890 /nfs/dbraw/zinc/98/38/90/970983890.db2.gz OCHBLDCLYOBERA-QMMMGPOBSA-N 0 3 267.285 1.602 20 5 CDBDHN Cc1nc(=N)n([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1CN ZINC001254590084 947542636 /nfs/dbraw/zinc/54/26/36/947542636.db2.gz USURCJITKHICTN-CQSZACIVSA-N 0 3 299.334 1.378 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1CCOC[C@@H]1F)C2 ZINC001254590025 947543723 /nfs/dbraw/zinc/54/37/23/947543723.db2.gz STPBXVJSEFVAPU-FPMFFAJLSA-N 0 3 280.299 1.779 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@@H](C)CCCO)c1[N+](=O)[O-] ZINC001308786961 956580620 /nfs/dbraw/zinc/58/06/20/956580620.db2.gz XQAPRJUWBUDRNG-JTQLQIEISA-N 0 3 298.339 1.807 20 5 CDBDHN CN1CCCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001349863702 966503430 /nfs/dbraw/zinc/50/34/30/966503430.db2.gz NUHSFRUWOOHFHE-AWEZNQCLSA-N 0 3 291.351 1.738 20 5 CDBDHN CC(C)OCC[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC001353241571 967813998 /nfs/dbraw/zinc/81/39/98/967813998.db2.gz SIJSCEVDNQTMPB-CYBMUJFWSA-N 0 3 282.340 1.860 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2ccc(O)cc2)c1 ZINC000611526548 346812053 /nfs/dbraw/zinc/81/20/53/346812053.db2.gz SXTLFKZBTIEZFA-UHFFFAOYSA-N 0 3 262.269 1.287 20 5 CDBDHN CC(C)N(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000533512803 282126971 /nfs/dbraw/zinc/12/69/71/282126971.db2.gz FKSXALPPTNAWBV-UHFFFAOYSA-N 0 3 282.344 1.346 20 5 CDBDHN CCN(CCSC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000592203964 342677191 /nfs/dbraw/zinc/67/71/91/342677191.db2.gz QERDDOMHCYDPSK-UHFFFAOYSA-N 0 3 285.369 1.441 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CC3(F)F)CC2)c1 ZINC000593073751 342762635 /nfs/dbraw/zinc/76/26/35/342762635.db2.gz XVJDGHLGPCWMDH-UHFFFAOYSA-N 0 3 286.282 1.913 20 5 CDBDHN C[C@H](O)CN(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594053751 342873020 /nfs/dbraw/zinc/87/30/20/342873020.db2.gz AHFYSZKYAQIOJD-NSHDSACASA-N 0 3 280.324 1.819 20 5 CDBDHN CN(C)CCn1cc(-c2ccc([N+](=O)[O-])nc2)cn1 ZINC000600789066 342249409 /nfs/dbraw/zinc/24/94/09/342249409.db2.gz PXXQBBDCODEELA-UHFFFAOYSA-N 0 3 261.285 1.415 20 5 CDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609382839 342264303 /nfs/dbraw/zinc/26/43/03/342264303.db2.gz FJVKZBASSPECDO-ZDUSSCGKSA-N 0 3 289.335 1.809 20 5 CDBDHN Cn1ccnc1[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000534581372 282201384 /nfs/dbraw/zinc/20/13/84/282201384.db2.gz IEMKWSIDXXNPGV-LLVKDONJSA-N 0 3 290.327 1.014 20 5 CDBDHN COC[C@@H](O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035946 342997939 /nfs/dbraw/zinc/99/79/39/342997939.db2.gz NSXSZFFXPPFALC-PWSUYJOCSA-N 0 3 298.339 1.651 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC1(C)C ZINC000595910229 343189256 /nfs/dbraw/zinc/18/92/56/343189256.db2.gz RXNOONWYBIVWEC-LLVKDONJSA-N 0 3 279.340 1.734 20 5 CDBDHN CCN1C[C@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C ZINC000596176929 343261367 /nfs/dbraw/zinc/26/13/67/343261367.db2.gz LBFUPMXVDNGUFR-UWVGGRQHSA-N 0 3 279.344 1.491 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCNc1cnccn1 ZINC000573815340 362187600 /nfs/dbraw/zinc/18/76/00/362187600.db2.gz OUNYEYQHQDOEAK-ZDUSSCGKSA-N 0 3 299.334 1.496 20 5 CDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CCN(C2CCC2)C1 ZINC000292155021 362265891 /nfs/dbraw/zinc/26/58/91/362265891.db2.gz CODRCVOXRFGJFN-NSHDSACASA-N 0 3 291.355 1.695 20 5 CDBDHN CC[C@@H](NCCN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085028 343950881 /nfs/dbraw/zinc/95/08/81/343950881.db2.gz JJILAKJWWLUDRV-HUUCEWRRSA-N 0 3 293.367 1.702 20 5 CDBDHN CN(C)C/C=C/C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000265618336 362464067 /nfs/dbraw/zinc/46/40/67/362464067.db2.gz GWWJTRFHODPOQU-ONEGZZNKSA-N 0 3 277.324 1.371 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](CO)[C@@H]1C ZINC000602846351 344623644 /nfs/dbraw/zinc/62/36/44/344623644.db2.gz OQSZBZGEKZAANI-CMPLNLGQSA-N 0 3 282.344 1.193 20 5 CDBDHN C[C@H]1CCCN(CCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273245635 192086520 /nfs/dbraw/zinc/08/65/20/192086520.db2.gz ZLGKHTGOZWRSPE-JTQLQIEISA-N 0 3 265.317 1.529 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295136774 199365209 /nfs/dbraw/zinc/36/52/09/199365209.db2.gz BPWGGRQOFILBMR-CYBMUJFWSA-N 0 3 282.340 1.579 20 5 CDBDHN COC(=O)C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000610447433 346283888 /nfs/dbraw/zinc/28/38/88/346283888.db2.gz JITJVQADAKMQKP-NSHDSACASA-N 0 3 296.327 1.209 20 5 CDBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000086468421 362711015 /nfs/dbraw/zinc/71/10/15/362711015.db2.gz QSOZXJRBMRYWFC-NXEZZACHSA-N 0 3 278.312 1.809 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](OCCN(C)C)C1 ZINC000611298002 346739467 /nfs/dbraw/zinc/73/94/67/346739467.db2.gz CXJXLQJZLRCKRX-CYBMUJFWSA-N 0 3 294.355 1.455 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)CC2CC2)c(F)c1 ZINC000611498521 346804608 /nfs/dbraw/zinc/80/46/08/346804608.db2.gz ZMTWGRGBAFNJKJ-NSHDSACASA-N 0 3 268.288 1.985 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(c3ccncc3)CC2)nc1 ZINC000026758251 348660995 /nfs/dbraw/zinc/66/09/95/348660995.db2.gz MSUAUILHYYPKNQ-UHFFFAOYSA-N 0 3 285.307 1.711 20 5 CDBDHN COCCN1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000271287795 191051812 /nfs/dbraw/zinc/05/18/12/191051812.db2.gz HROIOXBVPMKVBD-NSHDSACASA-N 0 3 280.328 1.431 20 5 CDBDHN C[C@H](N[C@H]1CCCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000111828122 350500224 /nfs/dbraw/zinc/50/02/24/350500224.db2.gz DMGCGCIGEYCJHI-JQWIXIFHSA-N 0 3 277.324 1.914 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292260973 198222105 /nfs/dbraw/zinc/22/21/05/198222105.db2.gz YNMDCMWJRABHRC-ZDUSSCGKSA-N 0 3 280.324 1.475 20 5 CDBDHN COC(=O)[C@H](C)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153747066 188100926 /nfs/dbraw/zinc/10/09/26/188100926.db2.gz SBQIRPLFEYGWCL-MFKMUULPSA-N 0 3 296.323 1.369 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)CN(C)C1CC1 ZINC000290784426 358493333 /nfs/dbraw/zinc/49/33/33/358493333.db2.gz NJNBTFCEJBHHDI-ZDUSSCGKSA-N 0 3 280.324 1.737 20 5 CDBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000273505990 192180323 /nfs/dbraw/zinc/18/03/23/192180323.db2.gz WFOVRMIETYOYHJ-QMMMGPOBSA-N 0 3 284.291 1.806 20 5 CDBDHN COC[C@H](CCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219223907 356239148 /nfs/dbraw/zinc/23/91/48/356239148.db2.gz CANOSDVNWXQDPK-JQWIXIFHSA-N 0 3 268.313 1.643 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000358520863 356302475 /nfs/dbraw/zinc/30/24/75/356302475.db2.gz HXJPJYQUVYMZQV-LLVKDONJSA-N 0 3 294.355 1.686 20 5 CDBDHN CN1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000332351126 283157578 /nfs/dbraw/zinc/15/75/78/283157578.db2.gz ZKABTWMZWZDMIN-HUUCEWRRSA-N 0 3 291.351 1.500 20 5 CDBDHN CCN(CCCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000165127205 356371573 /nfs/dbraw/zinc/37/15/73/356371573.db2.gz WZWZVSFJFPWBDD-UHFFFAOYSA-N 0 3 256.277 1.938 20 5 CDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(O)c1 ZINC000181491542 357353239 /nfs/dbraw/zinc/35/32/39/357353239.db2.gz WLPBZLZFQBZXPE-JTQLQIEISA-N 0 3 276.296 1.848 20 5 CDBDHN Cc1cc(OC[C@@H](O)CN(C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000290728602 357462894 /nfs/dbraw/zinc/46/28/94/357462894.db2.gz FSQYSAZCBSOGKZ-NSHDSACASA-N 0 3 298.314 1.876 20 5 CDBDHN CCN(CCOCCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000282724863 357473337 /nfs/dbraw/zinc/47/33/37/357473337.db2.gz LWFZDZKLTXNNER-UHFFFAOYSA-N 0 3 282.340 1.734 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@]1(O)CCOC1)CCC2 ZINC000193050336 358260603 /nfs/dbraw/zinc/26/06/03/358260603.db2.gz QODHPLZDAQBZNC-LSDHHAIUSA-N 0 3 292.335 1.713 20 5 CDBDHN Nc1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000287225405 358336611 /nfs/dbraw/zinc/33/66/11/358336611.db2.gz IYPACLCILIDSPR-GFCCVEGCSA-N 0 3 274.324 1.628 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000287247815 358351299 /nfs/dbraw/zinc/35/12/99/358351299.db2.gz RMGMPPDHYZTGCR-NSHDSACASA-N 0 3 294.355 1.387 20 5 CDBDHN O=[N+]([O-])c1cnc2c(c1)CN(CC[C@@H]1CCOC1)CC2 ZINC000450691821 358983025 /nfs/dbraw/zinc/98/30/25/358983025.db2.gz JPYKSTRMGVZZBU-LLVKDONJSA-N 0 3 277.324 1.775 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)n1 ZINC000451697710 359070903 /nfs/dbraw/zinc/07/09/03/359070903.db2.gz RIPOPFDWQVFERS-JHJVBQTASA-N 0 3 294.355 1.274 20 5 CDBDHN CC[C@H](C)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000451839390 359084836 /nfs/dbraw/zinc/08/48/36/359084836.db2.gz JSGOXXWCOXCFJP-LBPRGKRZSA-N 0 3 281.360 1.207 20 5 CDBDHN CC(C)N1CCCC[C@@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000339114884 359291735 /nfs/dbraw/zinc/29/17/35/359291735.db2.gz IABUGXYXXSWNJK-SNVBAGLBSA-N 0 3 253.306 1.449 20 5 CDBDHN COC[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000569941166 359270798 /nfs/dbraw/zinc/27/07/98/359270798.db2.gz LRZYLGGNRPVWKU-GWCFXTLKSA-N 0 3 280.324 1.833 20 5 CDBDHN CCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297003382 200059266 /nfs/dbraw/zinc/05/92/66/200059266.db2.gz GAJIAYDEVIPSSS-NSHDSACASA-N 0 3 279.344 1.980 20 5 CDBDHN CN(CCC(=O)OC(C)(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000150878461 359674566 /nfs/dbraw/zinc/67/45/66/359674566.db2.gz YGDWESRGLBARTL-UHFFFAOYSA-N 0 3 298.343 1.455 20 5 CDBDHN COc1cc(CN2CCCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000297832887 200288424 /nfs/dbraw/zinc/28/84/24/200288424.db2.gz JXFXSKMWKZNHBD-UHFFFAOYSA-N 0 3 297.330 1.880 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2CO)c1 ZINC000178857770 189151052 /nfs/dbraw/zinc/15/10/52/189151052.db2.gz IECOTFYYDJRBAZ-CHWSQXEVSA-N 0 3 266.297 1.085 20 5 CDBDHN C[C@H](NC[C@]1(O)CCO[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000278623631 239089244 /nfs/dbraw/zinc/08/92/44/239089244.db2.gz CJQWVKXCZAWWOX-COPLHBTASA-N 0 3 280.324 1.785 20 5 CDBDHN C[C@H](Cn1cccn1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642933 364278302 /nfs/dbraw/zinc/27/83/02/364278302.db2.gz CPSMXCGFMGRANY-BXUZGUMPSA-N 0 3 290.323 1.503 20 5 CDBDHN Cc1cnc(N(C)C[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000420637559 244303436 /nfs/dbraw/zinc/30/34/36/244303436.db2.gz OYJLVAAVVQIXKK-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN Cc1cc(N(C)C[C@@H]2CCCN2C)ncc1[N+](=O)[O-] ZINC000420643899 244307199 /nfs/dbraw/zinc/30/71/99/244307199.db2.gz XSTBAFMQDIRHNK-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N(C)C ZINC000298426431 373599463 /nfs/dbraw/zinc/59/94/63/373599463.db2.gz XNZSKQJUPZGTIY-SNVBAGLBSA-N 0 3 280.328 1.975 20 5 CDBDHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000298504277 373739710 /nfs/dbraw/zinc/73/97/10/373739710.db2.gz ZPSVIMPUKJPRQN-VIFPVBQESA-N 0 3 295.364 1.870 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](CCO)C1 ZINC000051916398 374043596 /nfs/dbraw/zinc/04/35/96/374043596.db2.gz SFMZGTAFPVHWTF-LBPRGKRZSA-N 0 3 282.344 1.194 20 5 CDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCC[C@@H](C)C1 ZINC000298725381 374082513 /nfs/dbraw/zinc/08/25/13/374082513.db2.gz MMYDMEZHHSLMSL-ZJUUUORDSA-N 0 3 294.359 1.499 20 5 CDBDHN CCN(CCOC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299139650 374438849 /nfs/dbraw/zinc/43/88/49/374438849.db2.gz SBSARHAFWNNYGO-CYBMUJFWSA-N 0 3 298.339 1.303 20 5 CDBDHN Nc1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184916 374542727 /nfs/dbraw/zinc/54/27/27/374542727.db2.gz CSMXNPHGDDHVBG-RYUDHWBXSA-N 0 3 292.339 1.452 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)[C@]2(F)CCNC2)cc1[N+](=O)[O-] ZINC000376694453 374567016 /nfs/dbraw/zinc/56/70/16/374567016.db2.gz HNANICHNXRXGGD-HZMBPMFUSA-N 0 3 295.314 1.782 20 5 CDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351949828 374697319 /nfs/dbraw/zinc/69/73/19/374697319.db2.gz APIKWQQAZHENCO-CMPLNLGQSA-N 0 3 266.297 1.286 20 5 CDBDHN Cc1ccnc(NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000070495913 374663883 /nfs/dbraw/zinc/66/38/83/374663883.db2.gz VFRBZVRRVXVVFP-SNVBAGLBSA-N 0 3 250.302 1.662 20 5 CDBDHN COCC(COC)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000449532494 374818470 /nfs/dbraw/zinc/81/84/70/374818470.db2.gz AJSJSHDCCVUSCX-FNORWQNLSA-N 0 3 280.324 1.859 20 5 CDBDHN C[C@H](NCCN1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000330382916 374848288 /nfs/dbraw/zinc/84/82/88/374848288.db2.gz JGOPGUFOTYLGOU-STQMWFEESA-N 0 3 293.367 1.966 20 5 CDBDHN Cc1cc(C(=O)NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000049096380 375401624 /nfs/dbraw/zinc/40/16/24/375401624.db2.gz RYDJJGAOGROMDM-GFCCVEGCSA-N 0 3 277.324 1.727 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCC1 ZINC000344839553 375564851 /nfs/dbraw/zinc/56/48/51/375564851.db2.gz PXVNFHLAMFJNKQ-UHFFFAOYSA-N 0 3 279.340 1.789 20 5 CDBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354601895 375731016 /nfs/dbraw/zinc/73/10/16/375731016.db2.gz WHOLDMWNQRPCDE-MNOVXSKESA-N 0 3 279.344 1.694 20 5 CDBDHN C[C@@H]1OCC[C@]1(O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000433186976 248003364 /nfs/dbraw/zinc/00/33/64/248003364.db2.gz MGNFWRGLEGWFIR-HKBBKRBJSA-N 0 3 292.335 1.738 20 5 CDBDHN COc1ccc(CNC[C@@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000188857740 377098001 /nfs/dbraw/zinc/09/80/01/377098001.db2.gz MGYJPAHNCZBRGA-PWSUYJOCSA-N 0 3 280.324 1.854 20 5 CDBDHN C[C@H](O)CCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174792568 379578797 /nfs/dbraw/zinc/57/87/97/379578797.db2.gz OIPHJRQRNDDVMZ-AAEUAGOBSA-N 0 3 298.339 1.037 20 5 CDBDHN CCC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557890 251338898 /nfs/dbraw/zinc/33/88/98/251338898.db2.gz BZAICDLEPHMVPN-DGCLKSJQSA-N 0 3 294.355 1.637 20 5 CDBDHN Cc1nc(N[C@@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000289172595 197252447 /nfs/dbraw/zinc/25/24/47/197252447.db2.gz RBRSLIMYYRFDFH-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN C[C@@H](CN(C)C)Nc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000168941756 292867053 /nfs/dbraw/zinc/86/70/53/292867053.db2.gz OTJNMVHAHNYUDL-QMMMGPOBSA-N 0 3 291.311 1.193 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H]2CCCN([C@@H]3COC[C@H]3O)C2)cc1 ZINC000451543203 390631417 /nfs/dbraw/zinc/63/14/17/390631417.db2.gz BHJHYQNKTYGGAU-NWANDNLSSA-N 0 3 292.335 1.534 20 5 CDBDHN CN1CC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000451630161 390636141 /nfs/dbraw/zinc/63/61/41/390636141.db2.gz LMIYYGYQRVMTRL-YGRLFVJLSA-N 0 3 279.315 1.870 20 5 CDBDHN CCc1nn(C)c(N[C@@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000158477759 390799544 /nfs/dbraw/zinc/79/95/44/390799544.db2.gz IKZDDDVTHUIHPB-NXEZZACHSA-N 0 3 281.360 1.785 20 5 CDBDHN CN1CCC(N(CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000303986213 391085223 /nfs/dbraw/zinc/08/52/23/391085223.db2.gz IPZGWNUODRQVSK-UHFFFAOYSA-N 0 3 293.367 1.483 20 5 CDBDHN Cc1cc(NC(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000415416939 391408211 /nfs/dbraw/zinc/40/82/11/391408211.db2.gz LSALZMWHUVGXCF-NSHDSACASA-N 0 3 294.311 1.013 20 5 CDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000086467346 391665939 /nfs/dbraw/zinc/66/59/39/391665939.db2.gz GNWJOFFDEWVEEU-NXEZZACHSA-N 0 3 263.297 1.417 20 5 CDBDHN Cc1cc(N2CCN(C)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000348174230 391802010 /nfs/dbraw/zinc/80/20/10/391802010.db2.gz BLURBRJURIHHLS-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN COc1cc(C[NH2+]C[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1[O-] ZINC000342193196 130326621 /nfs/dbraw/zinc/32/66/21/130326621.db2.gz CMUKTUCORUYOIG-NSHDSACASA-N 0 3 298.339 1.663 20 5 CDBDHN CC(C)(NC(=O)[C@@H]1NCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000591675085 391981161 /nfs/dbraw/zinc/98/11/61/391981161.db2.gz QZFXJQBUTIKENO-LBPRGKRZSA-N 0 3 291.351 1.944 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCCCC2)cc1 ZINC000193949819 392098006 /nfs/dbraw/zinc/09/80/06/392098006.db2.gz HZELKBPYWAKXQR-CQSZACIVSA-N 0 3 279.340 1.854 20 5 CDBDHN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCNCC1 ZINC000237057915 131001356 /nfs/dbraw/zinc/00/13/56/131001356.db2.gz MFPYHSVXYAYLRA-UHFFFAOYSA-N 0 3 292.339 1.096 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000262849315 131267867 /nfs/dbraw/zinc/26/78/67/131267867.db2.gz ZECQFTMSRZWJDW-DTWKUNHWSA-N 0 3 281.287 1.556 20 5 CDBDHN NC(=O)c1cc(N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596091937 392621313 /nfs/dbraw/zinc/62/13/13/392621313.db2.gz QCERHSJPMQSJAW-JTQLQIEISA-N 0 3 290.323 1.342 20 5 CDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177014 132125063 /nfs/dbraw/zinc/12/50/63/132125063.db2.gz ISQZXKIEJCULGQ-JQWIXIFHSA-N 0 3 292.339 1.479 20 5 CDBDHN CCn1nnc(C)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000449130886 393129758 /nfs/dbraw/zinc/12/97/58/393129758.db2.gz IOQOTCUGXFKONO-UHFFFAOYSA-N 0 3 289.339 1.847 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCNC1=O ZINC000449073903 393130010 /nfs/dbraw/zinc/13/00/10/393130010.db2.gz JOJCDANUILZEQH-DGCLKSJQSA-N 0 3 291.351 1.784 20 5 CDBDHN CN(C)C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493817043 393222123 /nfs/dbraw/zinc/22/21/23/393222123.db2.gz HKAIRYKYSNNOPC-YVMONPNESA-N 0 3 289.335 1.818 20 5 CDBDHN Cn1c(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000352596654 155293314 /nfs/dbraw/zinc/29/33/14/155293314.db2.gz CBNPWURDMWNSIU-JQWIXIFHSA-N 0 3 292.339 1.100 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1O ZINC000352668282 155341389 /nfs/dbraw/zinc/34/13/89/155341389.db2.gz QSPVNNXZDLJYDG-QWHCGFSZSA-N 0 3 250.298 1.940 20 5 CDBDHN COC(=O)c1cnc(N[C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000343812339 152312244 /nfs/dbraw/zinc/31/22/44/152312244.db2.gz VWSUHJFZDGWBNX-MRVPVSSYSA-N 0 3 282.300 1.138 20 5 CDBDHN CCCC[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354074489 156255571 /nfs/dbraw/zinc/25/55/71/156255571.db2.gz VEVOKBHYYQNBPG-SNVBAGLBSA-N 0 3 291.311 1.349 20 5 CDBDHN CC(C)OC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285300640 196245632 /nfs/dbraw/zinc/24/56/32/196245632.db2.gz LDENPWLUBFDKOZ-CQSZACIVSA-N 0 3 296.367 1.855 20 5 CDBDHN CON1CCC(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000323054703 260125186 /nfs/dbraw/zinc/12/51/86/260125186.db2.gz IRFMDGHDCDGVRI-UHFFFAOYSA-N 0 3 265.313 1.710 20 5 CDBDHN CC[C@H](NCCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000289912307 270318637 /nfs/dbraw/zinc/31/86/37/270318637.db2.gz NLXODOKBCAEFEZ-ZDUSSCGKSA-N 0 3 292.339 1.661 20 5 CDBDHN C[C@@H](N[C@@H](C)CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000161371483 274254417 /nfs/dbraw/zinc/25/44/17/274254417.db2.gz DLADFMAVXLFJQM-DTWKUNHWSA-N 0 3 251.286 1.509 20 5 CDBDHN CC(=O)NCCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178642464 277032121 /nfs/dbraw/zinc/03/21/21/277032121.db2.gz HEXRSLGGXNMLAM-SNVBAGLBSA-N 0 3 265.313 1.772 20 5 CDBDHN Cc1ccnc(N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000212819366 278985441 /nfs/dbraw/zinc/98/54/41/278985441.db2.gz OHRMEUGBKXMELI-UHFFFAOYSA-N 0 3 250.302 1.486 20 5 CDBDHN NC(=O)[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255863817 289387695 /nfs/dbraw/zinc/38/76/95/289387695.db2.gz ZJUAJZMGLHMWRK-FHMRSRPSSA-N 0 3 275.308 1.415 20 5 CDBDHN CNC(=O)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000574486586 295007122 /nfs/dbraw/zinc/00/71/22/295007122.db2.gz KDLYNGCWFKJWRI-UXBLZVDNSA-N 0 3 263.297 1.334 20 5 CDBDHN CCOCC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000580828805 324571072 /nfs/dbraw/zinc/57/10/72/324571072.db2.gz MABVRQIIEJXOMC-CYBMUJFWSA-N 0 3 268.313 1.472 20 5 CDBDHN CC(C)NC(=O)NCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584110808 326997232 /nfs/dbraw/zinc/99/72/32/326997232.db2.gz TYBKPGGSLSRFES-NSHDSACASA-N 0 3 294.355 1.953 20 5 CDBDHN CCOc1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000236900213 520895238 /nfs/dbraw/zinc/89/52/38/520895238.db2.gz SNECCKZARUXTEL-UHFFFAOYSA-N 0 3 293.323 1.429 20 5 CDBDHN COCCCN(C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000078668747 523228630 /nfs/dbraw/zinc/22/86/30/523228630.db2.gz KWOSDHIVFBUCIO-UHFFFAOYSA-N 0 3 282.344 1.678 20 5 CDBDHN COCCN(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC000061375987 523608644 /nfs/dbraw/zinc/60/86/44/523608644.db2.gz MLHBCXDRWAVXFY-UHFFFAOYSA-N 0 3 267.329 1.263 20 5 CDBDHN O=[N+]([O-])c1ccc(CCNC[C@@H](O)C(F)(F)F)cc1 ZINC000068879467 527347254 /nfs/dbraw/zinc/34/72/54/527347254.db2.gz SUBSBSRSGLMFAK-SNVBAGLBSA-N 0 3 278.230 1.650 20 5 CDBDHN CC[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000313699244 545541722 /nfs/dbraw/zinc/54/17/22/545541722.db2.gz SCFCBDSOOGBTHD-NSHDSACASA-N 0 3 279.275 1.784 20 5 CDBDHN CN1CCC(ONC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000773531772 575820138 /nfs/dbraw/zinc/82/01/38/575820138.db2.gz FZPATKNTKHXGIZ-UHFFFAOYSA-N 0 3 285.325 1.412 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCN(C)C1)CC2 ZINC000773990269 575847176 /nfs/dbraw/zinc/84/71/76/575847176.db2.gz ALNZEALGZCMAAS-LBPRGKRZSA-N 0 3 289.335 1.744 20 5 CDBDHN CN(c1nc2ccccn2c1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000741750458 576570604 /nfs/dbraw/zinc/57/06/04/576570604.db2.gz VNPDLIFINYQJLZ-NSHDSACASA-N 0 3 289.339 1.773 20 5 CDBDHN C[C@@H]1CCCN1CCNc1ncccc1[N+](=O)[O-] ZINC000742426728 576602539 /nfs/dbraw/zinc/60/25/39/576602539.db2.gz BKMBSDDHHHVATE-SNVBAGLBSA-N 0 3 250.302 1.886 20 5 CDBDHN CN(C)C1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000763032480 576702170 /nfs/dbraw/zinc/70/21/70/576702170.db2.gz YRIKHCWVEKMQNT-UHFFFAOYSA-N 0 3 277.324 1.695 20 5 CDBDHN CC[C@@H](CNCc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894554472 618961606 /nfs/dbraw/zinc/96/16/06/618961606.db2.gz DRBYFNQLXAQWIH-JTQLQIEISA-N 0 3 284.312 1.824 20 5 CDBDHN CC1(C)CNC(=O)[C@@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000925153690 620495824 /nfs/dbraw/zinc/49/58/24/620495824.db2.gz NBMJSUYCKQPGQW-LBPRGKRZSA-N 0 3 277.324 1.252 20 5 CDBDHN O=[N+]([O-])CCNCCCc1nc(-c2ccc(F)cc2)no1 ZINC000905204080 626690501 /nfs/dbraw/zinc/69/05/01/626690501.db2.gz NWGFTEVZGZDWDB-UHFFFAOYSA-N 0 3 294.286 1.675 20 5 CDBDHN CN(CCn1ccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000918379450 632362901 /nfs/dbraw/zinc/36/29/01/632362901.db2.gz WZOGGMRLXIHETP-UHFFFAOYSA-N 0 3 260.297 1.923 20 5 CDBDHN Cc1c([N+](=O)[O-])cc(F)cc1-n1nncc1CN ZINC001169311527 1162003651 /nfs/dbraw/zinc/00/36/51/1162003651.db2.gz YYAMHTSQDGJGCC-UHFFFAOYSA-N 0 3 251.221 1.082 20 5 CDBDHN CSCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000932592309 735291671 /nfs/dbraw/zinc/29/16/71/735291671.db2.gz UAUOAGURHSOOBM-UHFFFAOYSA-N 0 3 284.385 1.866 20 5 CDBDHN CN(CCCF)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000887141057 735353451 /nfs/dbraw/zinc/35/34/51/735353451.db2.gz DJEWBIVLIGTRRE-LBPRGKRZSA-N 0 3 256.277 1.920 20 5 CDBDHN CC[C@@]1(NCc2ccc(O)c(OC)c2[N+](=O)[O-])CCOC1 ZINC000893996670 736107222 /nfs/dbraw/zinc/10/72/22/736107222.db2.gz KLIFZCGSVNQSOW-CQSZACIVSA-N 0 3 296.323 1.968 20 5 CDBDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886300474 733409411 /nfs/dbraw/zinc/40/94/11/733409411.db2.gz ITQFZGZSCZTSIJ-DTHBNOIPSA-N 0 3 265.313 1.891 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)C[C@H](C)O2)[N+](=O)[O-] ZINC000851036724 733419376 /nfs/dbraw/zinc/41/93/76/733419376.db2.gz LPYIGYFQFIPBHH-IUCAKERBSA-N 0 3 265.265 1.832 20 5 CDBDHN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000122502447 733526855 /nfs/dbraw/zinc/52/68/55/733526855.db2.gz XNAVIQMZKFCGDM-UHFFFAOYSA-N 0 3 264.285 1.791 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)CCOC2)[N+](=O)[O-] ZINC000851037083 733661090 /nfs/dbraw/zinc/66/10/90/733661090.db2.gz RDSYDASTLMGOQW-VIFPVBQESA-N 0 3 265.265 1.581 20 5 CDBDHN Cc1ccc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])nn2)cc1 ZINC000813106948 733849809 /nfs/dbraw/zinc/84/98/09/733849809.db2.gz IMRFTQPESKYQAQ-SNVBAGLBSA-N 0 3 290.279 1.398 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1 ZINC000831599099 734161754 /nfs/dbraw/zinc/16/17/54/734161754.db2.gz JVGIFDZDFCDNRU-GFCCVEGCSA-N 0 3 292.339 1.247 20 5 CDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(OC)c1OC ZINC000813107081 734202930 /nfs/dbraw/zinc/20/29/30/734202930.db2.gz LVGIYTSNFYPJKQ-MRVPVSSYSA-N 0 3 299.279 1.534 20 5 CDBDHN CCN1CCCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881961048 734214759 /nfs/dbraw/zinc/21/47/59/734214759.db2.gz RKJWNVAXLQIRMN-UHFFFAOYSA-N 0 3 268.292 1.661 20 5 CDBDHN C[C@H](O)[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178861454 734862309 /nfs/dbraw/zinc/86/23/09/734862309.db2.gz IXUKYMIFTCHEDL-GLQYFDAESA-N 0 3 294.351 1.864 20 5 CDBDHN CC(C)CC[C@H](N)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001575560950 1167650431 /nfs/dbraw/zinc/65/04/31/1167650431.db2.gz QQVILXLBABEINM-NSHDSACASA-N 0 3 280.328 1.879 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC001173211196 912337834 /nfs/dbraw/zinc/33/78/34/912337834.db2.gz QYUXJLOUSRZEGP-ZYHUDNBSSA-N 0 3 298.364 1.303 20 5 CDBDHN CN(C)C1CN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001163933600 924403134 /nfs/dbraw/zinc/40/31/34/924403134.db2.gz KZPLOBTWYAXTLG-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN O=c1[nH]ccc2c1CCN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169047434 927666916 /nfs/dbraw/zinc/66/69/16/927666916.db2.gz QYNWVVXVAMLBKS-ZYHUDNBSSA-N 0 3 277.324 1.591 20 5 CDBDHN COc1ccc([N+](=O)[O-])nc1-n1ccc([C@@H](C)N)n1 ZINC001169231632 927841401 /nfs/dbraw/zinc/84/14/01/927841401.db2.gz OMGDFRMZPBYFIY-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN C[C@@H](N)c1ccn(-c2cc3c(c([N+](=O)[O-])c2)NN(C)C3)n1 ZINC001169237870 927870957 /nfs/dbraw/zinc/87/09/57/927870957.db2.gz RKISQLKSZVPRMM-MRVPVSSYSA-N 0 3 288.311 1.573 20 5 CDBDHN CN1CC(CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)C1 ZINC001159220510 938713284 /nfs/dbraw/zinc/71/32/84/938713284.db2.gz YWCCYAZKZOEWGW-UHFFFAOYSA-N 0 3 261.285 1.445 20 5 CDBDHN COc1nc(C)c([N+](=O)[O-])c(N(C)CCN2CCCC2)n1 ZINC001165140117 939516165 /nfs/dbraw/zinc/51/61/65/939516165.db2.gz HMJYOJNWIYQABW-UHFFFAOYSA-N 0 3 295.343 1.234 20 5 CDBDHN COC(=O)c1c(CO[C@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC001223293403 941667924 /nfs/dbraw/zinc/66/79/24/941667924.db2.gz OAYJDEFKAPWICT-NSHDSACASA-N 0 3 294.307 1.602 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN3CC[C@@H]3C1)C2 ZINC001254605697 947553638 /nfs/dbraw/zinc/55/36/38/947553638.db2.gz CQOYWWPOSQCTPA-HUUCEWRRSA-N 0 3 273.336 1.452 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cnn(C)c1C ZINC001330672885 956555183 /nfs/dbraw/zinc/55/51/83/956555183.db2.gz QYOUPOFNARKWBD-SECBINFHSA-N 0 3 292.343 1.492 20 5 CDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001343430830 963982370 /nfs/dbraw/zinc/98/23/70/963982370.db2.gz LMSHNFQZJFAJMU-SSDOTTSWSA-N 0 3 283.240 1.459 20 5 CDBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCCCCC1 ZINC001344806558 964435777 /nfs/dbraw/zinc/43/57/77/964435777.db2.gz GBZSOSAUJMIRQG-JTQLQIEISA-N 0 3 259.302 1.934 20 5 CDBDHN C[C@H](C(=O)NCC1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000591321567 342625758 /nfs/dbraw/zinc/62/57/58/342625758.db2.gz JHLIFEGOURWINN-NSHDSACASA-N 0 3 291.351 1.909 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCN1 ZINC000592244291 342681010 /nfs/dbraw/zinc/68/10/10/342681010.db2.gz AKHPNVMESUIBRS-SECBINFHSA-N 0 3 283.353 1.726 20 5 CDBDHN CC(C)c1[nH]nc(-c2nc([C@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000592357095 342688348 /nfs/dbraw/zinc/68/83/48/342688348.db2.gz TXAWXUDNRNQIJO-SSDOTTSWSA-N 0 3 292.299 1.916 20 5 CDBDHN CC(C)c1n[n-]c(-c2nc([C@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592357095 342688349 /nfs/dbraw/zinc/68/83/49/342688349.db2.gz TXAWXUDNRNQIJO-SSDOTTSWSA-N 0 3 292.299 1.916 20 5 CDBDHN CC(C)c1[n-]nc(-c2nc([C@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592357095 342688350 /nfs/dbraw/zinc/68/83/50/342688350.db2.gz TXAWXUDNRNQIJO-SSDOTTSWSA-N 0 3 292.299 1.916 20 5 CDBDHN COC[C@H]1C[C@@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000593066278 342761808 /nfs/dbraw/zinc/76/18/08/342761808.db2.gz KBUXZRJGXCSVAW-CHWSQXEVSA-N 0 3 296.323 1.055 20 5 CDBDHN C[C@H](CCO)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000593110334 342769729 /nfs/dbraw/zinc/76/97/29/342769729.db2.gz UYPZSKHIQAUUPT-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN COc1cc(CN[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000594951146 342982203 /nfs/dbraw/zinc/98/22/03/342982203.db2.gz BORWJFQLHRHEEL-JTQLQIEISA-N 0 3 297.355 1.652 20 5 CDBDHN C[N@@H+]1CCC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000596170207 343258714 /nfs/dbraw/zinc/25/87/14/343258714.db2.gz XYTXTHKKQFDEOK-WDEREUQCSA-N 0 3 292.339 1.616 20 5 CDBDHN C[N@H+]1CCC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000596170207 343258715 /nfs/dbraw/zinc/25/87/15/343258715.db2.gz XYTXTHKKQFDEOK-WDEREUQCSA-N 0 3 292.339 1.616 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000596436706 343321322 /nfs/dbraw/zinc/32/13/22/343321322.db2.gz PBDQHVCNGFDNCV-LLVKDONJSA-N 0 3 294.355 1.490 20 5 CDBDHN CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000341015431 365745349 /nfs/dbraw/zinc/74/53/49/365745349.db2.gz QRZZXBTYEQGOBX-AAEUAGOBSA-N 0 3 250.298 1.798 20 5 CDBDHN CCC(CC)[NH2+]CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000599097158 343953637 /nfs/dbraw/zinc/95/36/37/343953637.db2.gz HCMNUNCNFMVGMJ-UHFFFAOYSA-N 0 3 268.317 1.886 20 5 CDBDHN O=[N+]([O-])c1ccccc1NCCN1CC[C@@H](O)C1 ZINC000599175644 343965577 /nfs/dbraw/zinc/96/55/77/343965577.db2.gz GEQLBHUVSYFOIL-SNVBAGLBSA-N 0 3 251.286 1.073 20 5 CDBDHN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000210683509 344177507 /nfs/dbraw/zinc/17/75/07/344177507.db2.gz XPVYAFILUMDKKH-WAYWQWQTSA-N 0 3 275.308 1.430 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000601617176 344203697 /nfs/dbraw/zinc/20/36/97/344203697.db2.gz IFXFRAYYQKYITQ-SKDRFNHKSA-N 0 3 293.298 1.510 20 5 CDBDHN COCCCN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602769211 344574264 /nfs/dbraw/zinc/57/42/64/344574264.db2.gz OGMZQRUPQULSIL-UHFFFAOYSA-N 0 3 256.306 1.068 20 5 CDBDHN Cc1c(NC(=O)[C@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC000609574135 345814055 /nfs/dbraw/zinc/81/40/55/345814055.db2.gz SKBHTCAWRIKJTQ-JTQLQIEISA-N 0 3 263.297 1.793 20 5 CDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000273308607 192107502 /nfs/dbraw/zinc/10/75/02/192107502.db2.gz IFMGZWGBZJDNRI-RYUDHWBXSA-N 0 3 296.323 1.055 20 5 CDBDHN CN(C)CCn1cc(Nc2ncccc2[N+](=O)[O-])cn1 ZINC000057854504 348848999 /nfs/dbraw/zinc/84/89/99/348848999.db2.gz BCFPOWLOFXVUEJ-UHFFFAOYSA-N 0 3 276.300 1.492 20 5 CDBDHN CCN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286268390 356240284 /nfs/dbraw/zinc/24/02/84/356240284.db2.gz BHMVKQFJSHETLN-SWLSCSKDSA-N 0 3 293.367 1.654 20 5 CDBDHN COC(=O)[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000048335819 357178399 /nfs/dbraw/zinc/17/83/99/357178399.db2.gz YWFKRWYKWFEZKW-SNVBAGLBSA-N 0 3 266.297 1.836 20 5 CDBDHN COc1cc(C(=O)NC[C@@H](C)N(C)C)c([N+](=O)[O-])cc1F ZINC000294567778 199090210 /nfs/dbraw/zinc/09/02/10/199090210.db2.gz ZTZDYMUAWRWWSZ-MRVPVSSYSA-N 0 3 299.302 1.422 20 5 CDBDHN COCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176242472 358745813 /nfs/dbraw/zinc/74/58/13/358745813.db2.gz URGKRPYCZPNQOG-UHFFFAOYSA-N 0 3 268.317 1.150 20 5 CDBDHN C[C@@H]1CSC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352815995 358940823 /nfs/dbraw/zinc/94/08/23/358940823.db2.gz MZCXEUSJFQIFDW-KOLCDFICSA-N 0 3 295.364 1.874 20 5 CDBDHN CC1(C)C[C@@H](O)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451804163 359082998 /nfs/dbraw/zinc/08/29/98/359082998.db2.gz RUIIUTJVZCYYQP-NSHDSACASA-N 0 3 282.344 1.274 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460252 359057568 /nfs/dbraw/zinc/05/75/68/359057568.db2.gz DXUXMVRYSZGNMI-ONGXEEELSA-N 0 3 292.339 1.146 20 5 CDBDHN O=[N+]([O-])c1ccc(NCCN2CCCC2)c2nonc21 ZINC000048322196 359198865 /nfs/dbraw/zinc/19/88/65/359198865.db2.gz QRWLQVHLFXKUBM-UHFFFAOYSA-N 0 3 277.284 1.639 20 5 CDBDHN CC(C)[C@@](C)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000297674427 200258804 /nfs/dbraw/zinc/25/88/04/200258804.db2.gz OUOKOKZRAPHRSN-TZMCWYRMSA-N 0 3 295.339 1.118 20 5 CDBDHN Cc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000073000485 360074565 /nfs/dbraw/zinc/07/45/65/360074565.db2.gz JLROGEZBNFISDW-NEPJUHHUSA-N 0 3 292.339 1.573 20 5 CDBDHN CN(C)C[C@@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000162148711 363721596 /nfs/dbraw/zinc/72/15/96/363721596.db2.gz SVWVXLNXXOYKHW-ZDUSSCGKSA-N 0 3 296.327 1.029 20 5 CDBDHN COC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178207325 189097540 /nfs/dbraw/zinc/09/75/40/189097540.db2.gz LPOOOLTVCIACIZ-GFCCVEGCSA-N 0 3 293.323 1.548 20 5 CDBDHN CN1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000229822639 360929971 /nfs/dbraw/zinc/92/99/71/360929971.db2.gz NBBHHFXVPZWQLO-SREVYHEPSA-N 0 3 289.335 1.772 20 5 CDBDHN O=c1ccn(CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000130902260 361019079 /nfs/dbraw/zinc/01/90/79/361019079.db2.gz WUSOLGHNXWMXND-UHFFFAOYSA-N 0 3 251.286 1.242 20 5 CDBDHN CC1(C)CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1 ZINC000175425616 364408330 /nfs/dbraw/zinc/40/83/30/364408330.db2.gz NYJZJRJQAICQBU-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270957392 366948226 /nfs/dbraw/zinc/94/82/26/366948226.db2.gz UNRJPBJVANXONS-ZWNOBZJWSA-N 0 3 250.298 1.798 20 5 CDBDHN CN(C)CCO[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000352053598 367679607 /nfs/dbraw/zinc/67/96/07/367679607.db2.gz UUYQCHSTMVEGLB-LBPRGKRZSA-N 0 3 297.330 1.891 20 5 CDBDHN CC(C)c1ccc(CNC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000330453484 367776939 /nfs/dbraw/zinc/77/69/39/367776939.db2.gz LOFVSDVAADVVOD-HNNXBMFYSA-N 0 3 294.351 1.959 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668490 369784070 /nfs/dbraw/zinc/78/40/70/369784070.db2.gz TZCLLLGUSFWXGE-SKDRFNHKSA-N 0 3 265.313 1.584 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668493 369784663 /nfs/dbraw/zinc/78/46/63/369784663.db2.gz TZCLLLGUSFWXGE-JOYOIKCWSA-N 0 3 265.313 1.584 20 5 CDBDHN CN(C)[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000170863488 369978530 /nfs/dbraw/zinc/97/85/30/369978530.db2.gz ZXEHUPDTAAHANE-GWJCSSMESA-N 0 3 289.335 1.771 20 5 CDBDHN CC(C)N(C)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266145350 370349977 /nfs/dbraw/zinc/34/99/77/370349977.db2.gz MGBHLHCXVODAJB-UHFFFAOYSA-N 0 3 279.340 1.594 20 5 CDBDHN C[C@H](O)CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000130722312 373480295 /nfs/dbraw/zinc/48/02/95/373480295.db2.gz IMULDOJRGPWTPR-ZRQQLDRUSA-N 0 3 250.298 1.921 20 5 CDBDHN Cc1n[nH]c(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000266040384 373770098 /nfs/dbraw/zinc/77/00/98/373770098.db2.gz CJPSEFQAXFUPHG-WPRPVWTQSA-N 0 3 295.343 1.039 20 5 CDBDHN Cc1[nH]nc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000266040384 373770103 /nfs/dbraw/zinc/77/01/03/373770103.db2.gz CJPSEFQAXFUPHG-WPRPVWTQSA-N 0 3 295.343 1.039 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)CN(C)C ZINC000168998095 373852172 /nfs/dbraw/zinc/85/21/72/373852172.db2.gz PRDCIYXLBAHGOX-MRVPVSSYSA-N 0 3 255.322 1.482 20 5 CDBDHN C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000081589434 374527899 /nfs/dbraw/zinc/52/78/99/374527899.db2.gz RGGSVWWUCYRUTR-SECBINFHSA-N 0 3 275.312 1.900 20 5 CDBDHN CCc1nc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000449347493 374802234 /nfs/dbraw/zinc/80/22/34/374802234.db2.gz IGDIKWXDWFRMPW-SNVBAGLBSA-N 0 3 289.339 1.996 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093898972 374791537 /nfs/dbraw/zinc/79/15/37/374791537.db2.gz VLKQIGHLFMJVOY-NSHDSACASA-N 0 3 279.340 1.717 20 5 CDBDHN C[C@@H](O)[C@@H]1C[C@H](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331289422 374921653 /nfs/dbraw/zinc/92/16/53/374921653.db2.gz NYHBPEZXYBPZKS-WZRBSPASSA-N 0 3 282.344 1.273 20 5 CDBDHN CC(C)[C@@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331234595 374911243 /nfs/dbraw/zinc/91/12/43/374911243.db2.gz DBIUQOCXGZBVKV-ZDUSSCGKSA-N 0 3 281.360 1.063 20 5 CDBDHN C[C@H](O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293954537 375518377 /nfs/dbraw/zinc/51/83/77/375518377.db2.gz ZNXGOYDPHIWFLT-IUCAKERBSA-N 0 3 253.302 1.599 20 5 CDBDHN C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000228053773 375679864 /nfs/dbraw/zinc/67/98/64/375679864.db2.gz LBGSAFVJODXWRJ-WDMOLILDSA-N 0 3 280.324 1.785 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)CC(N)=O ZINC000345043086 375731777 /nfs/dbraw/zinc/73/17/77/375731777.db2.gz DSVWZGWNBMXPHA-SDKXAQGSSA-N 0 3 277.324 1.852 20 5 CDBDHN C[C@H](O)C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000269849038 375798647 /nfs/dbraw/zinc/79/86/47/375798647.db2.gz SXXJKIDZIMJBDQ-QWRGUYRKSA-N 0 3 268.317 1.027 20 5 CDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCN1CCCC1 ZINC000357019223 375876582 /nfs/dbraw/zinc/87/65/82/375876582.db2.gz WALKYQCLWZNLOV-UHFFFAOYSA-N 0 3 295.314 1.488 20 5 CDBDHN Cc1ccc(NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000134267447 375946877 /nfs/dbraw/zinc/94/68/77/375946877.db2.gz VNVWQAOGCBIOBN-JTQLQIEISA-N 0 3 251.286 1.304 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000267048110 376522733 /nfs/dbraw/zinc/52/27/33/376522733.db2.gz FNAHROGCHPOXCJ-WDEREUQCSA-N 0 3 279.340 1.970 20 5 CDBDHN CC(=O)c1ccc(NC[C@@](C)(O)CN(C)C)c([N+](=O)[O-])c1 ZINC000269893044 377492321 /nfs/dbraw/zinc/49/23/21/377492321.db2.gz RLJZEMSPFNKFTC-CQSZACIVSA-N 0 3 295.339 1.522 20 5 CDBDHN CC(=O)NCCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173304957 378121755 /nfs/dbraw/zinc/12/17/55/378121755.db2.gz HATATYCYEDYEPS-JTQLQIEISA-N 0 3 265.313 1.772 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CNC[C@H]3CCCOC3)nc2c1 ZINC000446848095 250319378 /nfs/dbraw/zinc/31/93/78/250319378.db2.gz FALVOOJBQKPZAC-SNVBAGLBSA-N 0 3 290.323 1.987 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@]1(CCO)CCOC1 ZINC000447079468 250338738 /nfs/dbraw/zinc/33/87/38/250338738.db2.gz VXNOVAYVAQCIJY-QTLSWZBMSA-N 0 3 292.335 1.739 20 5 CDBDHN CCN1CCC[C@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000450219266 251178236 /nfs/dbraw/zinc/17/82/36/251178236.db2.gz VXPYXTNNUMHVHG-JTQLQIEISA-N 0 3 292.339 1.590 20 5 CDBDHN CN(C)CC1(NC(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000281073903 195093567 /nfs/dbraw/zinc/09/35/67/195093567.db2.gz NACAZTDOWXPGDL-UHFFFAOYSA-N 0 3 283.353 1.870 20 5 CDBDHN CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000281088571 195099191 /nfs/dbraw/zinc/09/91/91/195099191.db2.gz OTKUEVBOYPQXBM-UHFFFAOYSA-N 0 3 283.353 1.870 20 5 CDBDHN CN(C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492183025 253171211 /nfs/dbraw/zinc/17/12/11/253171211.db2.gz DKPDRCNJSGFMIY-XQRVVYSFSA-N 0 3 281.287 1.425 20 5 CDBDHN CNC(=O)[C@]1(C)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000281127423 195114032 /nfs/dbraw/zinc/11/40/32/195114032.db2.gz NAFPVORHLNQTEO-OAHLLOKOSA-N 0 3 291.351 1.861 20 5 CDBDHN CN(C)C/C=C/C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288300988 197046952 /nfs/dbraw/zinc/04/69/52/197046952.db2.gz LNUWWRDTXYEXSF-RMKNXTFCSA-N 0 3 291.351 1.714 20 5 CDBDHN CN(C)C[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000268228141 391302048 /nfs/dbraw/zinc/30/20/48/391302048.db2.gz XPWALALSDSQKNT-SNVBAGLBSA-N 0 3 283.353 1.823 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CCN(C)C[C@H]21 ZINC000521101450 391619093 /nfs/dbraw/zinc/61/90/93/391619093.db2.gz LFTIQGQJENERDJ-VXGBXAGGSA-N 0 3 293.371 1.650 20 5 CDBDHN CC/C=C/CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574311958 391597580 /nfs/dbraw/zinc/59/75/80/391597580.db2.gz FDKXWIGIZQZEIO-UXONFWTHSA-N 0 3 280.324 1.890 20 5 CDBDHN C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190360295 130094335 /nfs/dbraw/zinc/09/43/35/130094335.db2.gz ZFTZLXHMFAOFCA-SMDDNHRTSA-N 0 3 280.324 1.676 20 5 CDBDHN COC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000496814133 391928345 /nfs/dbraw/zinc/92/83/45/391928345.db2.gz ZTSFVXVEQCSMTP-MRVPVSSYSA-N 0 3 282.252 1.687 20 5 CDBDHN C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000237428853 131030367 /nfs/dbraw/zinc/03/03/67/131030367.db2.gz OVCVVFJZZNUYHH-GHMZBOCLSA-N 0 3 293.323 1.182 20 5 CDBDHN CN(C)CC(C)(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459545765 392461458 /nfs/dbraw/zinc/46/14/58/392461458.db2.gz HBOYHNOPXTWXNO-UHFFFAOYSA-N 0 3 294.355 1.463 20 5 CDBDHN C[C@H]1C[C@H]1N1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774455 392725467 /nfs/dbraw/zinc/72/54/67/392725467.db2.gz YNMAHYSWSOVYKC-SDDRHHMPSA-N 0 3 293.371 1.495 20 5 CDBDHN COC[C@H](CCO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532516504 393075537 /nfs/dbraw/zinc/07/55/37/393075537.db2.gz BYSYFAGXFZHZDP-NEPJUHHUSA-N 0 3 282.340 1.951 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000313971630 149250214 /nfs/dbraw/zinc/25/02/14/149250214.db2.gz UDYYFMXCWUIAKM-LLVKDONJSA-N 0 3 295.314 1.900 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000334042443 149305436 /nfs/dbraw/zinc/30/54/36/149305436.db2.gz NADLXIIVELBMPQ-CMPLNLGQSA-N 0 3 277.324 1.807 20 5 CDBDHN O=[N+]([O-])c1cc(CNCCc2cnccn2)cs1 ZINC000341275164 151798544 /nfs/dbraw/zinc/79/85/44/151798544.db2.gz YXMCNWXARFQRCU-UHFFFAOYSA-N 0 3 264.310 1.779 20 5 CDBDHN COc1cc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000344041519 152399595 /nfs/dbraw/zinc/39/95/95/152399595.db2.gz WBNSDNNKDMTSAT-SGMGOOAPSA-N 0 3 292.335 1.806 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000346223601 153103614 /nfs/dbraw/zinc/10/36/14/153103614.db2.gz MPFQMDKDBWOJIG-ZJUUUORDSA-N 0 3 297.330 1.904 20 5 CDBDHN CC(C)C[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356163287 157379397 /nfs/dbraw/zinc/37/93/97/157379397.db2.gz XTNGBGNFXMIURI-SNVBAGLBSA-N 0 3 297.359 1.034 20 5 CDBDHN COCC[C@@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285310319 196247837 /nfs/dbraw/zinc/24/78/37/196247837.db2.gz SMRONJMDSYCXPZ-ONGXEEELSA-N 0 3 283.328 1.225 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000285424051 196280465 /nfs/dbraw/zinc/28/04/65/196280465.db2.gz GWDKRSMJSHKIJY-UHFFFAOYSA-N 0 3 250.298 1.594 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCN(C3CC3)C2)cs1 ZINC000044687470 175231866 /nfs/dbraw/zinc/23/18/66/175231866.db2.gz PIBORFVATYGESD-SNVBAGLBSA-N 0 3 267.354 1.983 20 5 CDBDHN COc1ccc(CN[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044723135 175237565 /nfs/dbraw/zinc/23/75/65/175237565.db2.gz DEPVNZUTPUZGBX-LBPRGKRZSA-N 0 3 291.351 1.930 20 5 CDBDHN N[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000399163187 270369465 /nfs/dbraw/zinc/36/94/65/270369465.db2.gz DETSADQWATUUHA-LBPRGKRZSA-N 0 3 263.297 1.338 20 5 CDBDHN C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1 ZINC000261585658 274601514 /nfs/dbraw/zinc/60/15/14/274601514.db2.gz IMQUAVRWZXUAEB-ZETCQYMHSA-N 0 3 279.325 1.398 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](N2CCCC2)C1 ZINC000171451147 275012750 /nfs/dbraw/zinc/01/27/50/275012750.db2.gz FTVNZRCBKYQDBQ-SNVBAGLBSA-N 0 3 279.296 1.498 20 5 CDBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345621404 279302905 /nfs/dbraw/zinc/30/29/05/279302905.db2.gz PFJGMXGJHYPQCK-LLVKDONJSA-N 0 3 294.355 1.538 20 5 CDBDHN Cc1cccc(OC[C@H](O)CN(C)C2CC2)c1[N+](=O)[O-] ZINC000290531919 281250141 /nfs/dbraw/zinc/25/01/41/281250141.db2.gz DJVZRPDPRLZPSM-GFCCVEGCSA-N 0 3 280.324 1.737 20 5 CDBDHN C[C@H](O)CN(CCOc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190905408 290082322 /nfs/dbraw/zinc/08/23/22/290082322.db2.gz LZVGYMHCGZMLRI-RYUDHWBXSA-N 0 3 298.339 1.037 20 5 CDBDHN C[C@H](CC(N)=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565491007 293623646 /nfs/dbraw/zinc/62/36/46/293623646.db2.gz JSZXFFRWEITTTA-LDYMZIIASA-N 0 3 263.297 1.436 20 5 CDBDHN CC(C)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])OCCO ZINC000571061178 294363072 /nfs/dbraw/zinc/36/30/72/294363072.db2.gz SYSUHKKIPHXGOK-CYBMUJFWSA-N 0 3 294.351 1.959 20 5 CDBDHN CC(C)NCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000563452219 316314382 /nfs/dbraw/zinc/31/43/82/316314382.db2.gz XDBIGBIWSKUNIU-UHFFFAOYSA-N 0 3 281.312 1.088 20 5 CDBDHN CC(C)Oc1nc(NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000579005157 324081661 /nfs/dbraw/zinc/08/16/61/324081661.db2.gz RSMOWTMQRQQCNZ-UHFFFAOYSA-N 0 3 294.355 1.705 20 5 CDBDHN CCN1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000337027996 521614147 /nfs/dbraw/zinc/61/41/47/521614147.db2.gz WLSQSWCDOCEXTP-VIFPVBQESA-N 0 3 270.358 1.617 20 5 CDBDHN COC[C@@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245438759 522224631 /nfs/dbraw/zinc/22/46/31/522224631.db2.gz FMGHKPPUDMGZHS-GHMZBOCLSA-N 0 3 280.328 1.511 20 5 CDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1O ZINC000186826361 524600471 /nfs/dbraw/zinc/60/04/71/524600471.db2.gz KXYDZGSUYFLPRT-AAEUAGOBSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H]1C[C@H](C)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157328474 525382532 /nfs/dbraw/zinc/38/25/32/525382532.db2.gz OHRGVFDGQAWENL-PHIMTYICSA-N 0 3 252.318 1.769 20 5 CDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCN1 ZINC000052943199 526726394 /nfs/dbraw/zinc/72/63/94/526726394.db2.gz AZHYMOFQXPNKQU-GFCCVEGCSA-N 0 3 263.297 1.353 20 5 CDBDHN Cc1ccc(OC(=O)C2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000773982771 575846765 /nfs/dbraw/zinc/84/67/65/575846765.db2.gz BBKOWKDSSUQTKV-SECBINFHSA-N 0 3 278.264 1.287 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000893221896 617473374 /nfs/dbraw/zinc/47/33/74/617473374.db2.gz SFEAGIRKISOZMQ-ONGXEEELSA-N 0 3 296.323 1.966 20 5 CDBDHN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892798301 617760402 /nfs/dbraw/zinc/76/04/02/617760402.db2.gz ASFGUWOTICHLBU-HNNXBMFYSA-N 0 3 289.335 1.809 20 5 CDBDHN CC[C@@H]1OCC[C@H]1NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894867268 619109891 /nfs/dbraw/zinc/10/98/91/619109891.db2.gz JDNRHMSJLYJXTF-PWSUYJOCSA-N 0 3 296.323 1.966 20 5 CDBDHN Cc1ccc(CNC[C@@H]2COCO2)cc1[N+](=O)[O-] ZINC000894871746 619112159 /nfs/dbraw/zinc/11/21/59/619112159.db2.gz WNNGSOXYSNYCLT-LLVKDONJSA-N 0 3 252.270 1.366 20 5 CDBDHN Cc1cccc([C@@H](CNCC[N+](=O)[O-])N2CCOCC2)c1 ZINC000899869889 622496136 /nfs/dbraw/zinc/49/61/36/622496136.db2.gz JJIXORVCZSCAFU-OAHLLOKOSA-N 0 3 293.367 1.235 20 5 CDBDHN C[C@H](N[C@@H]1COC[C@@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905868295 627011130 /nfs/dbraw/zinc/01/11/30/627011130.db2.gz QYQDUSNKHMYLOG-JBLDHEPKSA-N 0 3 293.323 1.546 20 5 CDBDHN CCOc1cc([N+](=O)[O-])ccc1NCC1CN(C)C1 ZINC001170254536 1162326688 /nfs/dbraw/zinc/32/66/88/1162326688.db2.gz PKBXSALSVAIWKJ-UHFFFAOYSA-N 0 3 265.313 1.967 20 5 CDBDHN COc1ccc(C[C@H](C)N2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327220 1162337266 /nfs/dbraw/zinc/33/72/66/1162337266.db2.gz GABUKHKGASLTAY-AAEUAGOBSA-N 0 3 294.351 1.991 20 5 CDBDHN C[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170566064 1162932033 /nfs/dbraw/zinc/93/20/33/1162932033.db2.gz DMPHKLFAULFSIG-CBAPKCEASA-N 0 3 286.719 1.432 20 5 CDBDHN COc1cc(N[C@@H](C)[C@H]2CNCCO2)cc([N+](=O)[O-])c1C ZINC001170574874 1162985282 /nfs/dbraw/zinc/98/52/82/1162985282.db2.gz UNAKVRSWKMEQAC-IINYFYTJSA-N 0 3 295.339 1.701 20 5 CDBDHN C[C@H]1CN(c2ccc3[nH]cc([N+](=O)[O-])c3n2)[C@@H](C)CN1C ZINC001164640911 719214594 /nfs/dbraw/zinc/21/45/94/719214594.db2.gz UDCMXAGPVXAMLG-UWVGGRQHSA-N 0 3 289.339 2.000 20 5 CDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NOCCN(C)C ZINC000820996352 736771823 /nfs/dbraw/zinc/77/18/23/736771823.db2.gz GSFBIFICINHZSC-UHFFFAOYSA-N 0 3 299.352 1.540 20 5 CDBDHN Cc1cccc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])nn2)c1 ZINC000813114863 736983843 /nfs/dbraw/zinc/98/38/43/736983843.db2.gz HWLKOXUWLCFBMN-JTQLQIEISA-N 0 3 290.279 1.398 20 5 CDBDHN C[C@@H]1[C@@H](C)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776597110 736901990 /nfs/dbraw/zinc/90/19/90/736901990.db2.gz HJIPJSSFBRMFFB-LALPHHSUSA-N 0 3 293.367 1.653 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC1CCS(=O)CC1 ZINC000050015652 737057163 /nfs/dbraw/zinc/05/71/63/737057163.db2.gz ZWNIVRZKDIBKGD-UHFFFAOYSA-N 0 3 268.338 1.596 20 5 CDBDHN CNC(=O)C[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825068356 737320518 /nfs/dbraw/zinc/32/05/18/737320518.db2.gz OAQVECASXYMWOJ-QMMMGPOBSA-N 0 3 285.731 1.862 20 5 CDBDHN O=C1CC[C@@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000851994950 739092568 /nfs/dbraw/zinc/09/25/68/739092568.db2.gz XNOHKRSHWNJZLD-NSHDSACASA-N 0 3 294.311 1.134 20 5 CDBDHN O=[N+]([O-])c1cc(CO)c(N[C@@H]2CCN(C3CC3)C2)cc1F ZINC000865465836 736939471 /nfs/dbraw/zinc/93/94/71/736939471.db2.gz KYIKOWFKAYJERB-SNVBAGLBSA-N 0 3 295.314 1.875 20 5 CDBDHN CC(COC(=O)c1cnc2n1[C@@H](C)CCC2)[N+](=O)[O-] ZINC000845574732 738180934 /nfs/dbraw/zinc/18/09/34/738180934.db2.gz CTFSSROWLPBWAN-DTWKUNHWSA-N 0 3 267.285 1.602 20 5 CDBDHN C[C@H](N)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000881277722 739229130 /nfs/dbraw/zinc/22/91/30/739229130.db2.gz KCZMTHIDLMTKHP-IUCAKERBSA-N 0 3 261.285 1.815 20 5 CDBDHN CN(C)C1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001163933793 924406170 /nfs/dbraw/zinc/40/61/70/924406170.db2.gz PMZLAPRXTYITTK-UHFFFAOYSA-N 0 3 273.296 1.288 20 5 CDBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168977337 927563113 /nfs/dbraw/zinc/56/31/13/927563113.db2.gz ANFJFCVQFORULQ-ZYHUDNBSSA-N 0 3 263.297 1.299 20 5 CDBDHN O=C1NCc2ccccc2[C@@H]1N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168981303 927568150 /nfs/dbraw/zinc/56/81/50/927568150.db2.gz HGFZXZFDSHMAHU-JKOKRWQUSA-N 0 3 289.335 1.393 20 5 CDBDHN Cc1nc2c(n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)CNCC2 ZINC001169039907 927652658 /nfs/dbraw/zinc/65/26/58/927652658.db2.gz VQFRNHNJNLSGFQ-MNOVXSKESA-N 0 3 264.329 1.455 20 5 CDBDHN C[C@H](N)c1ccn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)n1 ZINC001169234826 927854016 /nfs/dbraw/zinc/85/40/16/927854016.db2.gz KRJCUNMCVXVIBQ-ZETCQYMHSA-N 0 3 287.279 1.044 20 5 CDBDHN NCc1cn(-c2nccc(Cl)c2[N+](=O)[O-])cn1 ZINC001154906270 937602412 /nfs/dbraw/zinc/60/24/12/937602412.db2.gz ZWPUYRJFWCZTLZ-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN COc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001119969775 937769107 /nfs/dbraw/zinc/76/91/07/937769107.db2.gz XNBWNVBFTUGDFB-GXSJLCMTSA-N 0 3 278.312 1.139 20 5 CDBDHN CO[C@@H]1CCN(CCOCc2ccc([N+](=O)[O-])nc2)C1 ZINC001224112213 941721453 /nfs/dbraw/zinc/72/14/53/941721453.db2.gz AQLPQGNGNOHZHL-GFCCVEGCSA-N 0 3 281.312 1.227 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1OC1CCN(C)CC1 ZINC001229055902 942412993 /nfs/dbraw/zinc/41/29/93/942412993.db2.gz HMYQTPCDPSDZPT-UHFFFAOYSA-N 0 3 294.307 1.854 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447823 943840003 /nfs/dbraw/zinc/84/00/03/943840003.db2.gz POZFSHMMUQGSAQ-VIFPVBQESA-O 0 3 250.322 1.742 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H](CO)c1cccnc1)C2 ZINC001254589663 947542480 /nfs/dbraw/zinc/54/24/80/947542480.db2.gz QRMVDGZIXBWIJO-GDBMZVCRSA-N 0 3 299.330 1.780 20 5 CDBDHN CC(COC(=O)C1(Oc2ccccc2)CC1)[N+](=O)[O-] ZINC001344823439 964448282 /nfs/dbraw/zinc/44/82/82/964448282.db2.gz JNLPQUBVKBBHIU-JTQLQIEISA-N 0 3 265.265 1.806 20 5 CDBDHN CN(C)C[C@H](CO)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000589102067 342497057 /nfs/dbraw/zinc/49/70/57/342497057.db2.gz YCCJDDOMEDWYDF-SSDOTTSWSA-N 0 3 275.255 1.207 20 5 CDBDHN CN(C)CCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601273078 342547905 /nfs/dbraw/zinc/54/79/05/342547905.db2.gz OTUZAQBVGHMIMP-UHFFFAOYSA-N 0 3 269.276 1.368 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CN(C)C ZINC000340986653 365525867 /nfs/dbraw/zinc/52/58/67/365525867.db2.gz YUNQPIKPCDCWHH-MRVPVSSYSA-N 0 3 255.322 1.482 20 5 CDBDHN CC[C@@H](N[C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601306823 342551230 /nfs/dbraw/zinc/55/12/30/342551230.db2.gz SGCMASTZQVVMJL-MGPQQGTHSA-N 0 3 280.324 1.785 20 5 CDBDHN C[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N(C)C ZINC000046275714 342055850 /nfs/dbraw/zinc/05/58/50/342055850.db2.gz QHSXYXPITQJVMB-SNVBAGLBSA-N 0 3 281.312 1.040 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC[C@@H]1CCCN1CCCO ZINC000590708001 342585244 /nfs/dbraw/zinc/58/52/44/342585244.db2.gz DHIBIRQHRYOWLB-NSHDSACASA-N 0 3 280.328 1.249 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000457198823 365631587 /nfs/dbraw/zinc/63/15/87/365631587.db2.gz BVOQOAVRESKIHZ-UHFFFAOYSA-N 0 3 293.367 1.984 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](N2CCCC2)C1 ZINC000608906342 342084195 /nfs/dbraw/zinc/08/41/95/342084195.db2.gz YLPDPHBYSOABIC-SNVBAGLBSA-N 0 3 278.312 1.233 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@H]2C[C@H](F)CN2)cs1 ZINC000591281916 342624301 /nfs/dbraw/zinc/62/43/01/342624301.db2.gz VLLMZAJEFLUKKR-IUCAKERBSA-N 0 3 259.306 1.446 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1NCC1(C)C ZINC000591673493 342641484 /nfs/dbraw/zinc/64/14/84/342641484.db2.gz ZGDBVXAIKYDTDK-NSHDSACASA-N 0 3 263.297 1.840 20 5 CDBDHN Cc1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453583416 252328010 /nfs/dbraw/zinc/32/80/10/252328010.db2.gz CXYGFFKPLONWDT-CQSZACIVSA-N 0 3 277.324 1.662 20 5 CDBDHN C[C@H](CN1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000596487313 343328899 /nfs/dbraw/zinc/32/88/99/343328899.db2.gz GJJDGDWXIKJKOC-LLVKDONJSA-N 0 3 279.344 1.917 20 5 CDBDHN CCN[C@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602498671 344442389 /nfs/dbraw/zinc/44/23/89/344442389.db2.gz DNPJXRJXMQMDIG-MRVPVSSYSA-N 0 3 267.285 1.540 20 5 CDBDHN CO[C@@]1(C)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602819399 344608663 /nfs/dbraw/zinc/60/86/63/344608663.db2.gz AUBVXNOIPNCFTF-ZDUSSCGKSA-N 0 3 282.344 1.601 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](CCCO)C1 ZINC000602837896 344620015 /nfs/dbraw/zinc/62/00/15/344620015.db2.gz PTJLXZYXWFJDHO-GFCCVEGCSA-N 0 3 282.344 1.194 20 5 CDBDHN C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000072871066 345378080 /nfs/dbraw/zinc/37/80/80/345378080.db2.gz GOVBIYIPCSFWSG-NXEZZACHSA-N 0 3 277.324 1.782 20 5 CDBDHN Cc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000086467271 179297202 /nfs/dbraw/zinc/29/72/02/179297202.db2.gz SAHGLKALOOKZTP-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](C)CN1 ZINC000086467678 179298286 /nfs/dbraw/zinc/29/82/86/179298286.db2.gz PUTFTGPIVWFMBE-HTQZYQBOSA-N 0 3 253.258 1.010 20 5 CDBDHN C[C@@H](NCC(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293677482 362917533 /nfs/dbraw/zinc/91/75/33/362917533.db2.gz KCPTUQBRURIWIS-MRVPVSSYSA-N 0 3 253.302 1.599 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCC2)c1 ZINC000046444436 348791301 /nfs/dbraw/zinc/79/13/01/348791301.db2.gz SHPUBNIMGYSIRC-LBPRGKRZSA-N 0 3 266.297 1.430 20 5 CDBDHN CSC[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552704 180003007 /nfs/dbraw/zinc/00/30/07/180003007.db2.gz GHQDRWHUBVHYCY-LBPRGKRZSA-N 0 3 297.380 1.584 20 5 CDBDHN COc1ccc(CNC[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000106468331 186119828 /nfs/dbraw/zinc/11/98/28/186119828.db2.gz IKVFSIUZZYHOMZ-LBPRGKRZSA-N 0 3 279.340 1.787 20 5 CDBDHN Cc1cc(C(=O)NC[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000109847723 186276892 /nfs/dbraw/zinc/27/68/92/186276892.db2.gz VEFHAIRTACLLHP-LLVKDONJSA-N 0 3 277.324 1.585 20 5 CDBDHN CNC(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000111263961 186381210 /nfs/dbraw/zinc/38/12/10/186381210.db2.gz PNIRIPVCNDLJPI-CYBMUJFWSA-N 0 3 291.351 1.861 20 5 CDBDHN COc1ccc(NC(=O)C2(N)CC2)cc1[N+](=O)[O-] ZINC000136481588 363111253 /nfs/dbraw/zinc/11/12/53/363111253.db2.gz CFOMEWPJWYNYMJ-UHFFFAOYSA-N 0 3 251.242 1.033 20 5 CDBDHN Cc1ccc(CN2CC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157116348 188297718 /nfs/dbraw/zinc/29/77/18/188297718.db2.gz ZTKPJIZTUACAII-LLVKDONJSA-N 0 3 263.297 1.210 20 5 CDBDHN CN1CC=C(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000271879545 191385624 /nfs/dbraw/zinc/38/56/24/191385624.db2.gz BSXARFQHJLZCHJ-UHFFFAOYSA-N 0 3 275.308 1.587 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2CCO)c1 ZINC000336788754 356263072 /nfs/dbraw/zinc/26/30/72/356263072.db2.gz QRMPVUZJGRVEMZ-GFCCVEGCSA-N 0 3 250.298 1.942 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCOCCO ZINC000337422059 358033029 /nfs/dbraw/zinc/03/30/29/358033029.db2.gz BOADIYGPTLMSQE-GFCCVEGCSA-N 0 3 282.340 1.905 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000286960438 358045427 /nfs/dbraw/zinc/04/54/27/358045427.db2.gz LCOGDHBGFSAGGR-JTQLQIEISA-N 0 3 281.312 1.040 20 5 CDBDHN COc1ccc(CN[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000135309169 358168975 /nfs/dbraw/zinc/16/89/75/358168975.db2.gz PPDMTUCLVWERNV-ONGXEEELSA-N 0 3 266.297 1.870 20 5 CDBDHN COc1ccc(OC[C@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000290854299 358683166 /nfs/dbraw/zinc/68/31/66/358683166.db2.gz XQNSPPFLPQRXIC-LLVKDONJSA-N 0 3 296.323 1.437 20 5 CDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCN1CCCC1 ZINC000072906463 358878952 /nfs/dbraw/zinc/87/89/52/358878952.db2.gz OLZNDEJQZPKFDP-UHFFFAOYSA-N 0 3 277.324 1.349 20 5 CDBDHN CCC[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015956 359275903 /nfs/dbraw/zinc/27/59/03/359275903.db2.gz DYDVMWFWKXKXLU-SNVBAGLBSA-N 0 3 251.286 1.338 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015927 359276091 /nfs/dbraw/zinc/27/60/91/359276091.db2.gz QIAKHLVNQQATHA-BXKDBHETSA-N 0 3 265.313 1.584 20 5 CDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000339623037 359417508 /nfs/dbraw/zinc/41/75/08/359417508.db2.gz MJQKKYJEJUQFMB-STQMWFEESA-N 0 3 293.367 1.998 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000571914476 359675950 /nfs/dbraw/zinc/67/59/50/359675950.db2.gz XAOPIUBMTVERLO-NEPJUHHUSA-N 0 3 293.371 1.793 20 5 CDBDHN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCNCC1 ZINC000037995987 361518937 /nfs/dbraw/zinc/51/89/37/361518937.db2.gz STTQNAGAAKDZBH-UHFFFAOYSA-N 0 3 267.260 1.169 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000345826262 364025590 /nfs/dbraw/zinc/02/55/90/364025590.db2.gz PYEFMVLNVNQUHN-NWDGAFQWSA-N 0 3 277.324 1.599 20 5 CDBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)O ZINC000581939062 364058735 /nfs/dbraw/zinc/05/87/35/364058735.db2.gz IPQYTOALUZQBGX-SFYZADRCSA-N 0 3 264.285 1.330 20 5 CDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174835279 364581922 /nfs/dbraw/zinc/58/19/22/364581922.db2.gz AZGYBMANKVIHBJ-LLVKDONJSA-N 0 3 252.318 1.913 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330889055 203356217 /nfs/dbraw/zinc/35/62/17/203356217.db2.gz BBHKBXVYUTUDFE-YPMHNXCESA-N 0 3 291.351 1.736 20 5 CDBDHN N[C@H](CC(F)F)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000312025065 371073243 /nfs/dbraw/zinc/07/32/43/371073243.db2.gz WCHIPRWJFVDRRO-SECBINFHSA-N 0 3 273.239 1.194 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170913975 372033917 /nfs/dbraw/zinc/03/39/17/372033917.db2.gz KAGXDJLBKGLQLS-QMMMGPOBSA-N 0 3 269.326 1.338 20 5 CDBDHN CC(C)[C@H](CCO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274110818 374111092 /nfs/dbraw/zinc/11/10/92/374111092.db2.gz VTPKELSIDMPZQL-LBPRGKRZSA-N 0 3 295.339 1.190 20 5 CDBDHN NC1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000423837068 246131025 /nfs/dbraw/zinc/13/10/25/246131025.db2.gz GOIMAAWEUYPMRC-UHFFFAOYSA-N 0 3 283.715 1.746 20 5 CDBDHN Cc1ccc(NC(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000080160889 374451287 /nfs/dbraw/zinc/45/12/87/374451287.db2.gz ICLPIHVMYRBBEE-UHFFFAOYSA-N 0 3 280.328 1.929 20 5 CDBDHN C[C@@H](CCN1CCN(C)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000274460282 374673616 /nfs/dbraw/zinc/67/36/16/374673616.db2.gz KHOGRKSBLIVVKG-LBPRGKRZSA-N 0 3 293.371 1.428 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CCCN2CCCO)c1 ZINC000449385996 374805671 /nfs/dbraw/zinc/80/56/71/374805671.db2.gz HAMOWPCATMXQRQ-OAHLLOKOSA-N 0 3 293.367 1.531 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCCN1CCCO ZINC000449388607 374806630 /nfs/dbraw/zinc/80/66/30/374806630.db2.gz PMNORGZRSCMKHW-CQSZACIVSA-N 0 3 293.367 1.531 20 5 CDBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000353210690 375586970 /nfs/dbraw/zinc/58/69/70/375586970.db2.gz ZVOYJKUZQXDORJ-UONOGXRCSA-N 0 3 280.324 1.878 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000449656427 250953660 /nfs/dbraw/zinc/95/36/60/250953660.db2.gz KUKQTPUFBBDXEH-LLVKDONJSA-N 0 3 299.277 1.630 20 5 CDBDHN CCN1CCC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450268698 251201814 /nfs/dbraw/zinc/20/18/14/251201814.db2.gz HYXLGXIOJZSCSA-SNVBAGLBSA-N 0 3 265.317 1.589 20 5 CDBDHN Cc1nc(N(C)C[C@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000450313208 251218054 /nfs/dbraw/zinc/21/80/54/251218054.db2.gz KMICEUIGYRMERQ-JTQLQIEISA-N 0 3 265.317 1.081 20 5 CDBDHN COc1ccc(CN[C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000513512738 254116320 /nfs/dbraw/zinc/11/63/20/254116320.db2.gz PRCMAXOVOLELDD-HAQNSBGRSA-N 0 3 280.324 1.997 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)CC)c1 ZINC000284104643 390577718 /nfs/dbraw/zinc/57/77/18/390577718.db2.gz TZHIQPNTPFHVJB-UHFFFAOYSA-N 0 3 295.339 1.675 20 5 CDBDHN NC(=O)CC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000421348453 390633515 /nfs/dbraw/zinc/63/35/15/390633515.db2.gz GGWOXQTYDDPEBT-UHFFFAOYSA-N 0 3 269.326 1.402 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CNCCO1 ZINC000415091914 391014484 /nfs/dbraw/zinc/01/44/84/391014484.db2.gz DLYHQJSEOQURBX-HSBHDXMMSA-N 0 3 277.324 1.186 20 5 CDBDHN C[C@H]1[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCN1C ZINC000343480457 391634052 /nfs/dbraw/zinc/63/40/52/391634052.db2.gz RHZVHTGSZSBHMZ-ONGXEEELSA-N 0 3 292.339 1.588 20 5 CDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000246596834 392017028 /nfs/dbraw/zinc/01/70/28/392017028.db2.gz IUXPNDVFEDICTP-QWRGUYRKSA-N 0 3 293.323 1.744 20 5 CDBDHN CC[C@H]1CN(CCNCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000487193958 392240521 /nfs/dbraw/zinc/24/05/21/392240521.db2.gz NUACOJUZSCBMJZ-HNNXBMFYSA-N 0 3 293.367 1.795 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000525291961 392925671 /nfs/dbraw/zinc/92/56/71/392925671.db2.gz UZCDQOWVDMMHMH-GFCCVEGCSA-N 0 3 291.351 1.975 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](CCO)CC2)c1 ZINC000421008618 392926059 /nfs/dbraw/zinc/92/60/59/392926059.db2.gz DLQBCSFKZCKCDP-LBPRGKRZSA-N 0 3 282.344 1.276 20 5 CDBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000275196756 135104295 /nfs/dbraw/zinc/10/42/95/135104295.db2.gz AIUIVIZJILYMRI-RYUDHWBXSA-N 0 3 279.340 1.486 20 5 CDBDHN COc1ccc(CNCCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000116919748 147279820 /nfs/dbraw/zinc/27/98/20/147279820.db2.gz ACVOJDVQWRKLRF-LJQANCHMSA-N 0 3 286.353 1.462 20 5 CDBDHN C[S@](=O)CCCNCc1ccccc1[N+](=O)[O-] ZINC000116919875 147279978 /nfs/dbraw/zinc/27/99/78/147279978.db2.gz BBBAGWCKZAIPPD-QGZVFWFLSA-N 0 3 256.327 1.453 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000346167672 153080861 /nfs/dbraw/zinc/08/08/61/153080861.db2.gz SYVGYGQREYKNSM-SECBINFHSA-N 0 3 290.323 1.756 20 5 CDBDHN CN1CCC(O)(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350292625 154362212 /nfs/dbraw/zinc/36/22/12/154362212.db2.gz YKVPXOFKSZHTCH-UHFFFAOYSA-N 0 3 297.330 1.280 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2[C@@H]2CCCO2)n1 ZINC000375349783 160371299 /nfs/dbraw/zinc/37/12/99/160371299.db2.gz PNLUCERHWHNKMZ-NEPJUHHUSA-N 0 3 280.328 1.435 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000375356530 160372595 /nfs/dbraw/zinc/37/25/95/160372595.db2.gz RCHXHVCVZQMCKV-CHWSQXEVSA-N 0 3 280.328 1.435 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362086140 159066403 /nfs/dbraw/zinc/06/64/03/159066403.db2.gz IEEOCHHDEBDUGS-VXGBXAGGSA-N 0 3 280.324 1.534 20 5 CDBDHN CCOC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373247054 160185784 /nfs/dbraw/zinc/18/57/84/160185784.db2.gz YBPJVBYSHULUCZ-UHFFFAOYSA-N 0 3 296.327 1.381 20 5 CDBDHN C[C@@H](NCC1(C)OCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284963173 196165469 /nfs/dbraw/zinc/16/54/69/196165469.db2.gz FMRDFSSBODOTGU-SECBINFHSA-N 0 3 281.312 1.591 20 5 CDBDHN COC[C@@H](CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000285308235 196246574 /nfs/dbraw/zinc/24/65/74/196246574.db2.gz SJMSGWFUXPBBTJ-GXSJLCMTSA-N 0 3 283.328 1.489 20 5 CDBDHN CS(=O)(=O)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000038047402 174056978 /nfs/dbraw/zinc/05/69/78/174056978.db2.gz NEJFANKUDOKXCX-UHFFFAOYSA-N 0 3 272.326 1.119 20 5 CDBDHN COCCOCCNCc1cccc([N+](=O)[O-])c1C ZINC000044725173 175237360 /nfs/dbraw/zinc/23/73/60/175237360.db2.gz DGSVQSFMRIQZPK-UHFFFAOYSA-N 0 3 268.313 1.656 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178031 274343482 /nfs/dbraw/zinc/34/34/82/274343482.db2.gz SAYZXCVHJIPVTD-SKDRFNHKSA-N 0 3 262.313 1.884 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000252666698 275039235 /nfs/dbraw/zinc/03/92/35/275039235.db2.gz ASELPBHSONJWDK-GJZGRUSLSA-N 0 3 291.351 1.548 20 5 CDBDHN CNC(=O)[C@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449340393 277011564 /nfs/dbraw/zinc/01/15/64/277011564.db2.gz OJGCRCMUNHNTOO-UWVGGRQHSA-N 0 3 265.313 1.250 20 5 CDBDHN C[C@@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192909431 278290653 /nfs/dbraw/zinc/29/06/53/278290653.db2.gz ZZZMFULOAVGKLA-TVQRCGJNSA-N 0 3 250.298 1.943 20 5 CDBDHN CNc1ccc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000111821487 279325504 /nfs/dbraw/zinc/32/55/04/279325504.db2.gz UMDUBIKXRFXFGW-UHFFFAOYSA-N 0 3 280.328 1.270 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](CN(C)C)C2)c1 ZINC000268037999 281012790 /nfs/dbraw/zinc/01/27/90/281012790.db2.gz NAGYYMXNORHSON-LBPRGKRZSA-N 0 3 279.340 1.670 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000086467348 288327706 /nfs/dbraw/zinc/32/77/06/288327706.db2.gz GNWJOFFDEWVEEU-VHSXEESVSA-N 0 3 263.297 1.417 20 5 CDBDHN C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000568770766 294100068 /nfs/dbraw/zinc/10/00/68/294100068.db2.gz PKBDQZNLBFCOIN-ZJUUUORDSA-N 0 3 295.343 1.311 20 5 CDBDHN C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000568770765 294100093 /nfs/dbraw/zinc/10/00/93/294100093.db2.gz PKBDQZNLBFCOIN-VHSXEESVSA-N 0 3 295.343 1.311 20 5 CDBDHN CC(C)(NC(=O)CNC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000570624821 294274076 /nfs/dbraw/zinc/27/40/76/294274076.db2.gz KDLKTWWSFMDGRY-UHFFFAOYSA-N 0 3 277.324 1.698 20 5 CDBDHN O=C(NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000579731648 324270652 /nfs/dbraw/zinc/27/06/52/324270652.db2.gz NSLGNZPTDOIWLY-CYBMUJFWSA-N 0 3 289.335 1.698 20 5 CDBDHN CC[C@H](C)NC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000037997190 523969037 /nfs/dbraw/zinc/96/90/37/523969037.db2.gz DVUUBHBRJUFGDL-NSHDSACASA-N 0 3 279.340 1.989 20 5 CDBDHN Cc1ccc([C@H](C)N[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000111018285 525937814 /nfs/dbraw/zinc/93/78/14/525937814.db2.gz HDNWORNYPLTISM-CMPLNLGQSA-N 0 3 277.324 1.832 20 5 CDBDHN CC(C)(NCCOCCO)c1ccccc1[N+](=O)[O-] ZINC000292057339 527291306 /nfs/dbraw/zinc/29/13/06/527291306.db2.gz CGGPBJKAPFALHM-UHFFFAOYSA-N 0 3 268.313 1.428 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069137343 527347681 /nfs/dbraw/zinc/34/76/81/527347681.db2.gz CQNTVNDJLXFPEL-GFCCVEGCSA-N 0 3 298.364 1.304 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CNCCO2)c2ccncc21 ZINC000157406336 527365872 /nfs/dbraw/zinc/36/58/72/527365872.db2.gz FVUJEAZWVMZFBJ-JTQLQIEISA-N 0 3 288.307 1.543 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000761080665 576544693 /nfs/dbraw/zinc/54/46/93/576544693.db2.gz VCQDYLNMKLOCOV-LBPRGKRZSA-N 0 3 279.340 1.610 20 5 CDBDHN C[C@@H]1[C@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000771463806 575581457 /nfs/dbraw/zinc/58/14/57/575581457.db2.gz ZKSZMMDTSCRQED-TYNCELHUSA-N 0 3 293.367 1.653 20 5 CDBDHN Cc1c(C(=O)NOC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000773548590 575823284 /nfs/dbraw/zinc/82/32/84/575823284.db2.gz ZDAYCPURVLXPAP-UHFFFAOYSA-N 0 3 293.323 1.659 20 5 CDBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761078300 576543969 /nfs/dbraw/zinc/54/39/69/576543969.db2.gz BKFXMJMYPJLLCC-GFCCVEGCSA-N 0 3 263.341 1.773 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106278 617343369 /nfs/dbraw/zinc/34/33/69/617343369.db2.gz BYNHUGSJNQMQFH-SSDOTTSWSA-N 0 3 284.224 1.425 20 5 CDBDHN CC(COC(=O)c1ocnc1C(F)(F)F)[N+](=O)[O-] ZINC000893044382 618090946 /nfs/dbraw/zinc/09/09/46/618090946.db2.gz IFYFGHQITISVKW-BYPYZUCNSA-N 0 3 268.147 1.515 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H](C)OC)c1[N+](=O)[O-] ZINC000892807163 617770547 /nfs/dbraw/zinc/77/05/47/617770547.db2.gz QMWKUJYUBNDLEW-SECBINFHSA-N 0 3 284.312 1.824 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC/C=C/Cl ZINC000905708482 626935008 /nfs/dbraw/zinc/93/50/08/626935008.db2.gz PGCDCGXKCGEWIG-QLCVYAKKSA-N 0 3 286.715 1.677 20 5 CDBDHN CCN1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910286377 628961763 /nfs/dbraw/zinc/96/17/63/628961763.db2.gz GTBXHERKYIGXSL-SECBINFHSA-N 0 3 295.343 1.183 20 5 CDBDHN CCN1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000910286377 628961766 /nfs/dbraw/zinc/96/17/66/628961766.db2.gz GTBXHERKYIGXSL-SECBINFHSA-N 0 3 295.343 1.183 20 5 CDBDHN COc1ccc(C[C@@H](C)NCC2(F)COC2)c([N+](=O)[O-])c1 ZINC001170311015 1162333960 /nfs/dbraw/zinc/33/39/60/1162333960.db2.gz YOUZHARUEVQWID-SNVBAGLBSA-N 0 3 298.314 1.863 20 5 CDBDHN O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168966591 1161995590 /nfs/dbraw/zinc/99/55/90/1161995590.db2.gz JPJNNALBVSIREE-YPMHNXCESA-N 0 3 262.309 1.904 20 5 CDBDHN C[C@@H](CNCc1ccc(N)nn1)c1ccccc1[N+](=O)[O-] ZINC001576032298 1171318240 /nfs/dbraw/zinc/31/82/40/1171318240.db2.gz BRYWYXQODRXCMM-JTQLQIEISA-N 0 3 287.323 1.860 20 5 CDBDHN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000086468398 739239536 /nfs/dbraw/zinc/23/95/36/739239536.db2.gz LNSBSXVUKOCTFR-ZJUUUORDSA-N 0 3 278.312 1.809 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](O)CC2)cc1 ZINC000815296933 739857925 /nfs/dbraw/zinc/85/79/25/739857925.db2.gz INKFRDKHEFWGNC-KBPBESRZSA-N 0 3 280.324 1.475 20 5 CDBDHN CC(C)(CCC(=O)OCCN1CCCCC1)[N+](=O)[O-] ZINC000837925141 740288760 /nfs/dbraw/zinc/28/87/60/740288760.db2.gz LBQURUNNJVQBCE-UHFFFAOYSA-N 0 3 272.345 1.851 20 5 CDBDHN COc1cc(CNC[C@H]2CCN2C)c([N+](=O)[O-])cc1OC ZINC000922573894 740314110 /nfs/dbraw/zinc/31/41/10/740314110.db2.gz GPXBHMDOPQHVDH-LLVKDONJSA-N 0 3 295.339 1.406 20 5 CDBDHN C[NH+](C)[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000715540140 741318579 /nfs/dbraw/zinc/31/85/79/741318579.db2.gz PZSJYIBFKCUIRR-VHSXEESVSA-N 0 3 280.328 1.980 20 5 CDBDHN Cc1ccc(CNCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000134737321 741516936 /nfs/dbraw/zinc/51/69/36/741516936.db2.gz CQIYRZWVKSRAPD-QGZVFWFLSA-N 0 3 256.327 1.371 20 5 CDBDHN Cc1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000841867742 741833374 /nfs/dbraw/zinc/83/33/74/741833374.db2.gz WVNWKORYHHXFEF-AWEZNQCLSA-N 0 3 290.323 1.460 20 5 CDBDHN CC(COC(=O)c1cccc(NC(=O)N(C)C)c1)[N+](=O)[O-] ZINC000813105192 739584247 /nfs/dbraw/zinc/58/42/47/739584247.db2.gz KGKWLRYWQHUDTH-SECBINFHSA-N 0 3 295.295 1.602 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](CCO)C2)cc1 ZINC000776581916 739789002 /nfs/dbraw/zinc/78/90/02/739789002.db2.gz IZAGULXSLXADLU-IUODEOHRSA-N 0 3 294.351 1.723 20 5 CDBDHN C[NH+](C)[C@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000715540136 740176089 /nfs/dbraw/zinc/17/60/89/740176089.db2.gz PZSJYIBFKCUIRR-UWVGGRQHSA-N 0 3 280.328 1.980 20 5 CDBDHN C[C@H]1CCCN1CCNc1c([N+](=O)[O-])cnn1C ZINC000892715378 740207416 /nfs/dbraw/zinc/20/74/16/740207416.db2.gz ZCAHPVXFJIANJJ-VIFPVBQESA-N 0 3 253.306 1.225 20 5 CDBDHN CC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110063 741309329 /nfs/dbraw/zinc/30/93/29/741309329.db2.gz ROSYHEPAANEPAY-MRVPVSSYSA-N 0 3 266.253 1.467 20 5 CDBDHN CC(COC(=O)c1ccc2oc(=O)[nH]c2c1)[N+](=O)[O-] ZINC000813109275 741362620 /nfs/dbraw/zinc/36/26/20/741362620.db2.gz HOJYMLLASHSLGB-ZCFIWIBFSA-N 0 3 266.209 1.355 20 5 CDBDHN CC(COC(=O)Cc1ccc(Cl)cn1)[N+](=O)[O-] ZINC000873533265 741629273 /nfs/dbraw/zinc/62/92/73/741629273.db2.gz VKUNPUWNLVKLKO-ZETCQYMHSA-N 0 3 258.661 1.486 20 5 CDBDHN O=C(OC[C@H]1CCCN1Cc1ccco1)[C@@H]1CC1[N+](=O)[O-] ZINC000842326144 741667565 /nfs/dbraw/zinc/66/75/65/741667565.db2.gz GLKQCWAQWAQMOR-RAIGVLPGSA-N 0 3 294.307 1.452 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCNC1=O ZINC000886743094 741839033 /nfs/dbraw/zinc/83/90/33/741839033.db2.gz SWAMJRNRWWIDLK-NSHDSACASA-N 0 3 292.339 1.579 20 5 CDBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000037286257 742104630 /nfs/dbraw/zinc/10/46/30/742104630.db2.gz BBPAPNMLOYTFKI-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CCNC(=O)[C@@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866217329 742837736 /nfs/dbraw/zinc/83/77/36/742837736.db2.gz XLKHAAJROBJRTD-NXEZZACHSA-N 0 3 297.330 1.779 20 5 CDBDHN COc1nc(C)c(N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001167278233 895028037 /nfs/dbraw/zinc/02/80/37/895028037.db2.gz CYRAEPBEXUYCGR-VIFPVBQESA-N 0 3 266.301 1.423 20 5 CDBDHN CSCC[C@H](N)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118199425 923901717 /nfs/dbraw/zinc/90/17/17/923901717.db2.gz LIRZRQFPAMKVGV-LBPRGKRZSA-N 0 3 295.364 1.517 20 5 CDBDHN CCN1CCCN(c2nc(C)cc(OC)c2[N+](=O)[O-])CC1 ZINC001163775250 924187757 /nfs/dbraw/zinc/18/77/57/924187757.db2.gz VXHUICLGIUELQC-UHFFFAOYSA-N 0 3 294.355 1.839 20 5 CDBDHN CN(C)C1(C)CN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC001165118392 924974835 /nfs/dbraw/zinc/97/48/35/924974835.db2.gz UIHXRZRFBBSSLC-UHFFFAOYSA-N 0 3 254.265 1.269 20 5 CDBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168977334 927563354 /nfs/dbraw/zinc/56/33/54/927563354.db2.gz ANFJFCVQFORULQ-CMPLNLGQSA-N 0 3 263.297 1.299 20 5 CDBDHN NCc1ccc2c(n1)N([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001168979255 927567998 /nfs/dbraw/zinc/56/79/98/927567998.db2.gz XVJONHHWGNNROZ-RISCZKNCSA-N 0 3 290.367 1.738 20 5 CDBDHN COC(=O)[C@@]1(C)CCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011972 927616631 /nfs/dbraw/zinc/61/66/31/927616631.db2.gz OCHAYBXDCCZFEC-GMXVVIOVSA-N 0 3 270.329 1.459 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3cccnc3C2)C1 ZINC001169036128 927644218 /nfs/dbraw/zinc/64/42/18/927644218.db2.gz FMCPCMIGELUMDY-AAEUAGOBSA-N 0 3 261.325 1.885 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)c1 ZINC001169233637 927849967 /nfs/dbraw/zinc/84/99/67/927849967.db2.gz AYUZJMMAOFGBNB-QMMMGPOBSA-N 0 3 290.279 1.587 20 5 CDBDHN NCc1cnnn1-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001169312102 927919483 /nfs/dbraw/zinc/91/94/83/927919483.db2.gz MGAWMEMDOJBEFG-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN Cc1nc(N[C@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159489617 930269842 /nfs/dbraw/zinc/26/98/42/930269842.db2.gz PVCYOIAUCGGMER-KOLCDFICSA-N 0 3 266.301 1.087 20 5 CDBDHN NCc1cn(-c2ccc3cccc([N+](=O)[O-])c3n2)cn1 ZINC001154906153 937602459 /nfs/dbraw/zinc/60/24/59/937602459.db2.gz CKVNZOSZEYSWGA-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN NCc1ccnn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001155124801 937638304 /nfs/dbraw/zinc/63/83/04/937638304.db2.gz NZMARTYDVPAZSB-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CC(C)(C)N1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001120806295 937837436 /nfs/dbraw/zinc/83/74/36/937837436.db2.gz XULXWVKNCYHITG-UHFFFAOYSA-N 0 3 279.344 1.493 20 5 CDBDHN CN1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156591662 938390524 /nfs/dbraw/zinc/39/05/24/938390524.db2.gz XSJAWRABZZSRHS-LLVKDONJSA-N 0 3 292.339 1.247 20 5 CDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001157270878 938473931 /nfs/dbraw/zinc/47/39/31/938473931.db2.gz GMGTXMJVSDVRJC-YPMHNXCESA-N 0 3 292.339 1.067 20 5 CDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CCN(C2CCC2)C1 ZINC001161176810 938878076 /nfs/dbraw/zinc/87/80/76/938878076.db2.gz FOJSZCPFMSZDJZ-NSHDSACASA-N 0 3 292.339 1.575 20 5 CDBDHN O=C1C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)CCN1 ZINC001162336654 939027656 /nfs/dbraw/zinc/02/76/56/939027656.db2.gz GPDSFMFLTJNAKM-VIFPVBQESA-N 0 3 290.323 1.136 20 5 CDBDHN CCOc1cc([N+](=O)[O-])ccc1-n1nc(CN)cc1C ZINC001163985387 939372329 /nfs/dbraw/zinc/37/23/29/939372329.db2.gz OOEMSQHUWYZTPH-UHFFFAOYSA-N 0 3 276.296 1.946 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599166 942033419 /nfs/dbraw/zinc/03/34/19/942033419.db2.gz JYSRQRNCOXQMEO-SNVBAGLBSA-O 0 3 278.328 1.972 20 5 CDBDHN CC(C)N1CC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226734561 942060458 /nfs/dbraw/zinc/06/04/58/942060458.db2.gz YPOBJSZWVGOECB-JTQLQIEISA-N 0 3 252.274 1.246 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](CO)[C@@H](O)C1 ZINC001254552259 947522213 /nfs/dbraw/zinc/52/22/13/947522213.db2.gz JNDDNKONRFOAED-ZLDLUXBVSA-N 0 3 294.351 1.201 20 5 CDBDHN C[C@]1(O)COCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592074 947542779 /nfs/dbraw/zinc/54/27/79/947542779.db2.gz AERVCTRNOBYLDK-HUUCEWRRSA-N 0 3 292.335 1.145 20 5 CDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2NC[C@H]3C[C@H]32)n1 ZINC001248303773 948998583 /nfs/dbraw/zinc/99/85/83/948998583.db2.gz NNKBZSUHEXDBHI-SLBFFKMLSA-N 0 3 291.242 1.459 20 5 CDBDHN C[C@H](NC(=O)[C@@H](N)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001340994449 963226261 /nfs/dbraw/zinc/22/62/61/963226261.db2.gz HQHNJSBIMFKTCE-XVKPBYJWSA-N 0 3 287.266 1.755 20 5 CDBDHN CC(COC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12)[N+](=O)[O-] ZINC001343663707 964083035 /nfs/dbraw/zinc/08/30/35/964083035.db2.gz IXFFRGGLIGPBKG-PWZJLYFZSA-N 0 3 290.275 1.105 20 5 CDBDHN CC(COC(=O)[C@@]1(c2ccccc2)CCCO1)[N+](=O)[O-] ZINC001346123206 964936166 /nfs/dbraw/zinc/93/61/66/964936166.db2.gz JYGBTFQQTINRCJ-FZMZJTMJSA-N 0 3 279.292 1.901 20 5 CDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CN2CCC1CC2 ZINC001353789723 968234812 /nfs/dbraw/zinc/23/48/12/968234812.db2.gz QWLUKDPXQZIJTI-CQSZACIVSA-N 0 3 289.335 1.348 20 5 CDBDHN CC(C)C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001573504099 1170677016 /nfs/dbraw/zinc/67/70/16/1170677016.db2.gz MUDCUGHBKAWOJS-LBPRGKRZSA-N 0 3 277.324 1.857 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601266178 342547072 /nfs/dbraw/zinc/54/70/72/342547072.db2.gz KKYAOYPSOGSCJV-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN CC1(C)CN[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000591668580 342641185 /nfs/dbraw/zinc/64/11/85/342641185.db2.gz HJBACQUIOBYALJ-LBPRGKRZSA-N 0 3 277.324 1.252 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1C[C@H](C)O ZINC000312781122 342139242 /nfs/dbraw/zinc/13/92/42/342139242.db2.gz FWBNOEITDNEYHG-CMPLNLGQSA-N 0 3 282.344 1.335 20 5 CDBDHN C[C@@H](CCO)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109508 342769335 /nfs/dbraw/zinc/76/93/35/342769335.db2.gz ZHMMGTGDUYYDRD-NWDGAFQWSA-N 0 3 298.339 1.037 20 5 CDBDHN C[C@@H](O)CN(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000594053750 342872850 /nfs/dbraw/zinc/87/28/50/342872850.db2.gz AHFYSZKYAQIOJD-LLVKDONJSA-N 0 3 280.324 1.819 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(CC2CC2)C1 ZINC000609384252 342267962 /nfs/dbraw/zinc/26/79/62/342267962.db2.gz AUGPKYGADVZGFR-JTQLQIEISA-N 0 3 265.317 1.225 20 5 CDBDHN CN(C)CCN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000075669285 342314267 /nfs/dbraw/zinc/31/42/67/342314267.db2.gz NABUTJWLMOCWDT-UHFFFAOYSA-N 0 3 293.371 1.428 20 5 CDBDHN C[C@H]1CCC[N@H+](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596075734 343226179 /nfs/dbraw/zinc/22/61/79/343226179.db2.gz KAZVCEWZJUEGAP-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN C[C@H]1CCC[N@@H+](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596075734 343226181 /nfs/dbraw/zinc/22/61/81/343226181.db2.gz KAZVCEWZJUEGAP-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN O=c1[n-]ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596119964 343232806 /nfs/dbraw/zinc/23/28/06/343232806.db2.gz FLBAVFDSMSAUCC-NSHDSACASA-N 0 3 292.339 1.760 20 5 CDBDHN CCC[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596061753 343223485 /nfs/dbraw/zinc/22/34/85/343223485.db2.gz JOWGYMYRTHSAGN-UHFFFAOYSA-N 0 3 280.328 1.982 20 5 CDBDHN CCCN1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000598343064 343771819 /nfs/dbraw/zinc/77/18/19/343771819.db2.gz QFNOYELEZYBZCE-ZDUSSCGKSA-N 0 3 291.351 1.738 20 5 CDBDHN Cc1ccc(CNC[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599006486 343938258 /nfs/dbraw/zinc/93/82/58/343938258.db2.gz IRDSGGUXWUTGDU-TXEJJXNPSA-N 0 3 250.298 1.764 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@@H](C(C)C)C1 ZINC000602833392 344614774 /nfs/dbraw/zinc/61/47/74/344614774.db2.gz YRDGAZRLSBEZAM-CYBMUJFWSA-N 0 3 295.387 1.372 20 5 CDBDHN CCO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842164 344622299 /nfs/dbraw/zinc/62/22/99/344622299.db2.gz QQQBVYIJACCKCD-AAEUAGOBSA-N 0 3 296.371 1.847 20 5 CDBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000344265805 362552487 /nfs/dbraw/zinc/55/24/87/362552487.db2.gz YDTWFNNPFLPCEY-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344278765 362553610 /nfs/dbraw/zinc/55/36/10/362553610.db2.gz XYYZKTIXOSJAIT-GFCCVEGCSA-N 0 3 295.314 1.900 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000088138930 346014289 /nfs/dbraw/zinc/01/42/89/346014289.db2.gz UJXIIHZOTYIHNV-UHFFFAOYSA-N 0 3 263.297 1.419 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](n3ccnc3)C2)c1 ZINC000610447625 346283908 /nfs/dbraw/zinc/28/39/08/346283908.db2.gz CNLWMIJLMVFXOO-GFCCVEGCSA-N 0 3 290.327 1.325 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@@H]3CCCOC3)C2)nc1 ZINC000610569961 346314743 /nfs/dbraw/zinc/31/47/43/346314743.db2.gz IEHFYRVOMDQWPT-DGCLKSJQSA-N 0 3 292.339 1.655 20 5 CDBDHN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000086467501 179297728 /nfs/dbraw/zinc/29/77/28/179297728.db2.gz UUIIFTBIZTXWNL-QWRGUYRKSA-N 0 3 277.324 1.346 20 5 CDBDHN O=[N+]([O-])c1ccccc1NCCCN1CCC(O)CC1 ZINC000060378728 348475810 /nfs/dbraw/zinc/47/58/10/348475810.db2.gz YRDVXVUXJAKEFB-UHFFFAOYSA-N 0 3 279.340 1.854 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000068341415 349061750 /nfs/dbraw/zinc/06/17/50/349061750.db2.gz QVUQGKZIRFYMDR-CYBMUJFWSA-N 0 3 277.324 1.761 20 5 CDBDHN Cn1cc([C@@H](CO)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000274120907 192449281 /nfs/dbraw/zinc/44/92/81/192449281.db2.gz WXEHAAFCUKVWES-CQSZACIVSA-N 0 3 290.323 1.194 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN(C)C)c1 ZINC000136291945 362964616 /nfs/dbraw/zinc/96/46/16/362964616.db2.gz NZGWOMKNOREJGJ-UHFFFAOYSA-N 0 3 267.285 1.355 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@]1(O)CCOC1 ZINC000516583621 363155068 /nfs/dbraw/zinc/15/50/68/363155068.db2.gz DOPVDZHQCJTDGP-JSGCOSHPSA-N 0 3 278.308 1.323 20 5 CDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1N(C)C ZINC000271839966 191361864 /nfs/dbraw/zinc/36/18/64/191361864.db2.gz UEHFZXPPRWDUGH-VHSXEESVSA-N 0 3 298.368 1.041 20 5 CDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC000273591649 192220247 /nfs/dbraw/zinc/22/02/47/192220247.db2.gz HHTLSPWOHYSATH-QWRGUYRKSA-N 0 3 279.344 1.917 20 5 CDBDHN COC(=O)COC[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000295475047 291097253 /nfs/dbraw/zinc/09/72/53/291097253.db2.gz RUJJBFWKZOCRPF-MNOVXSKESA-N 0 3 296.323 1.824 20 5 CDBDHN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000019432185 356485537 /nfs/dbraw/zinc/48/55/37/356485537.db2.gz VWHUPQWEWVXVHS-QPJJXVBHSA-N 0 3 275.308 1.430 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])CC1(CO)COC1 ZINC000560478397 356970048 /nfs/dbraw/zinc/97/00/48/356970048.db2.gz WALXXMCUIWRSAE-UHFFFAOYSA-N 0 3 280.324 1.078 20 5 CDBDHN CN(C[C@@H](O)COc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000290537608 357213099 /nfs/dbraw/zinc/21/30/99/357213099.db2.gz DUGIZKAYXQJTFZ-LLVKDONJSA-N 0 3 284.287 1.568 20 5 CDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000119032626 357223592 /nfs/dbraw/zinc/22/35/92/357223592.db2.gz IUXPNDVFEDICTP-MNOVXSKESA-N 0 3 293.323 1.744 20 5 CDBDHN CN(CCc1ccncc1)CCn1ccc([N+](=O)[O-])n1 ZINC000181457858 357349828 /nfs/dbraw/zinc/34/98/28/357349828.db2.gz YFVKLSFKDGQWMA-UHFFFAOYSA-N 0 3 275.312 1.361 20 5 CDBDHN CC[C@@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000096478763 357479265 /nfs/dbraw/zinc/47/92/65/357479265.db2.gz NCCXENMDUPAOJC-CYBMUJFWSA-N 0 3 268.313 1.854 20 5 CDBDHN Cc1cc(NCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000296003291 357593732 /nfs/dbraw/zinc/59/37/32/357593732.db2.gz MYFINKLIWWBOQE-UHFFFAOYSA-N 0 3 279.340 1.772 20 5 CDBDHN COCC[C@](C)(O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284139876 357645835 /nfs/dbraw/zinc/64/58/35/357645835.db2.gz ORMNAKNGKXGTFE-HZMBPMFUSA-N 0 3 297.355 1.615 20 5 CDBDHN Cc1cc(OCC(=O)N[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000286888354 358023667 /nfs/dbraw/zinc/02/36/67/358023667.db2.gz FYRAKYRGGZFPGK-NSHDSACASA-N 0 3 295.339 1.348 20 5 CDBDHN C[C@@H](NCCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177162 363605127 /nfs/dbraw/zinc/60/51/27/363605127.db2.gz UGMQCRVFFXMDHP-SNVBAGLBSA-N 0 3 254.286 1.254 20 5 CDBDHN Cc1c(OC[C@@H](O)CN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000290844722 358677299 /nfs/dbraw/zinc/67/72/99/358677299.db2.gz WMQWNFPGDKQRRU-LBPRGKRZSA-N 0 3 280.324 1.737 20 5 CDBDHN CCN1CCCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000264828514 358713481 /nfs/dbraw/zinc/71/34/81/358713481.db2.gz ZDAZAZRNLSNQQB-JTQLQIEISA-N 0 3 267.333 1.615 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264947866 358791080 /nfs/dbraw/zinc/79/10/80/358791080.db2.gz XLOJOEBTFMBBHJ-UHFFFAOYSA-N 0 3 251.286 1.276 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)c1ccccc1 ZINC000267150445 358858376 /nfs/dbraw/zinc/85/83/76/358858376.db2.gz CDXMLASKXRFRCQ-ZDUSSCGKSA-N 0 3 290.323 1.457 20 5 CDBDHN COc1cc(CNC[C@H]2CCCO2)c([N+](=O)[O-])cc1O ZINC000101588951 358853692 /nfs/dbraw/zinc/85/36/92/358853692.db2.gz RCDSUTWPHCNLRC-SNVBAGLBSA-N 0 3 282.296 1.578 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000104187567 358950181 /nfs/dbraw/zinc/95/01/81/358950181.db2.gz PVSWODZJZYPBPF-SNVBAGLBSA-N 0 3 263.297 1.276 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NCCN1CCCC1(C)C ZINC000450952674 359023262 /nfs/dbraw/zinc/02/32/62/359023262.db2.gz VDAISQQZCMIKDJ-UHFFFAOYSA-N 0 3 267.333 1.615 20 5 CDBDHN CC(C)[C@]1(CO)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000339702959 359431318 /nfs/dbraw/zinc/43/13/18/359431318.db2.gz UWCZTBPRCIAZMF-CQSZACIVSA-N 0 3 296.371 1.522 20 5 CDBDHN C[C@H](NC(=O)NCCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297821552 200287338 /nfs/dbraw/zinc/28/73/38/200287338.db2.gz ZIEPJEZSDLMMEX-JTQLQIEISA-N 0 3 280.328 1.517 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000347915780 359943124 /nfs/dbraw/zinc/94/31/24/359943124.db2.gz HASJPVQZCWGTPQ-UHFFFAOYSA-N 0 3 268.317 1.337 20 5 CDBDHN CC[C@@H]1CN(C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000562443346 359991821 /nfs/dbraw/zinc/99/18/21/359991821.db2.gz FXQZBJIIPSPRLD-CYBMUJFWSA-N 0 3 293.367 2.000 20 5 CDBDHN COc1ccc(OCCN2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177967860 189082151 /nfs/dbraw/zinc/08/21/51/189082151.db2.gz ZXQZPZQWUKOPBO-AWEZNQCLSA-N 0 3 296.323 1.439 20 5 CDBDHN C[C@]1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000177970280 189082180 /nfs/dbraw/zinc/08/21/80/189082180.db2.gz FWZUCLZEDJEJBE-ZDUSSCGKSA-N 0 3 250.298 1.594 20 5 CDBDHN COC[C@H](CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000219144685 360807422 /nfs/dbraw/zinc/80/74/22/360807422.db2.gz XLGVEAFDPFAWER-NSHDSACASA-N 0 3 254.286 1.082 20 5 CDBDHN C[C@H](NC[C@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000180445091 189255747 /nfs/dbraw/zinc/25/57/47/189255747.db2.gz WZNCCCWILJEIKS-FZMZJTMJSA-N 0 3 290.323 1.503 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000345816316 364022703 /nfs/dbraw/zinc/02/27/03/364022703.db2.gz LFINIIAJXVJUKR-STQMWFEESA-N 0 3 291.351 1.908 20 5 CDBDHN C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000268154853 364355135 /nfs/dbraw/zinc/35/51/35/364355135.db2.gz NEUMOAVBTJSEOE-MRVPVSSYSA-N 0 3 269.276 1.414 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CN1C1CC1 ZINC000440930566 367105889 /nfs/dbraw/zinc/10/58/89/367105889.db2.gz ROLARJTZDVRQEH-ZJUUUORDSA-N 0 3 292.339 1.288 20 5 CDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330755480 203193412 /nfs/dbraw/zinc/19/34/12/203193412.db2.gz KAWJEFRHEVSEOY-LLVKDONJSA-N 0 3 294.355 1.917 20 5 CDBDHN C[C@H](NC(=O)/C=C/CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295505514 370436197 /nfs/dbraw/zinc/43/61/97/370436197.db2.gz GYNUPAOIVHNJEF-ZWNMCFTASA-N 0 3 277.324 1.890 20 5 CDBDHN NC(=O)C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000367981646 371268425 /nfs/dbraw/zinc/26/84/25/371268425.db2.gz BUTZAHLPJZKQAP-LLVKDONJSA-N 0 3 293.323 1.171 20 5 CDBDHN Cc1ccc([C@H](C)NCCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000298971475 374280185 /nfs/dbraw/zinc/28/01/85/374280185.db2.gz PEHPFMBNDZRJKT-VIFPVBQESA-N 0 3 294.311 1.139 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCO)CCCC2 ZINC000417328845 374245980 /nfs/dbraw/zinc/24/59/80/374245980.db2.gz SQQGNZQYWNWPCN-ZDUSSCGKSA-N 0 3 250.298 1.944 20 5 CDBDHN C[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423844147 246138585 /nfs/dbraw/zinc/13/85/85/246138585.db2.gz LNVKRKICJHPXSP-LURJTMIESA-N 0 3 257.677 1.212 20 5 CDBDHN CC[C@@](C)(CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000080897052 374484481 /nfs/dbraw/zinc/48/44/81/374484481.db2.gz SODDTFHAWMSARP-ZDUSSCGKSA-N 0 3 268.313 1.854 20 5 CDBDHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000081588881 374527475 /nfs/dbraw/zinc/52/74/75/374527475.db2.gz BFQYUHKPNKMMNL-SECBINFHSA-N 0 3 273.296 1.336 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]2N)cc1[N+](=O)[O-] ZINC000424134075 246347922 /nfs/dbraw/zinc/34/79/22/246347922.db2.gz AKSAWBGQZFHHHI-IEBDPFPHSA-N 0 3 263.297 1.428 20 5 CDBDHN C[C@H](O)C[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000447840947 374715700 /nfs/dbraw/zinc/71/57/00/374715700.db2.gz VOCINVCSDAOKLO-NWDGAFQWSA-N 0 3 282.344 1.417 20 5 CDBDHN CCOC1CC(O)(CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000277744772 374807798 /nfs/dbraw/zinc/80/77/98/374807798.db2.gz QCWQRWZSDLVMQN-UHFFFAOYSA-N 0 3 280.324 1.614 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCN(C)C ZINC000277939610 374825258 /nfs/dbraw/zinc/82/52/58/374825258.db2.gz IPROMUVPVRRVBK-UHFFFAOYSA-N 0 3 265.313 1.537 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154668872 375472857 /nfs/dbraw/zinc/47/28/57/375472857.db2.gz FARNWWHTBPDLMD-GFCCVEGCSA-N 0 3 295.314 1.487 20 5 CDBDHN COC[C@@H](CCO)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344884251 375633568 /nfs/dbraw/zinc/63/35/68/375633568.db2.gz YMCZRFQXUWVAKM-ICDLMJIXSA-N 0 3 294.351 1.985 20 5 CDBDHN Cc1c([C@H](C)NC[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000358224602 375957393 /nfs/dbraw/zinc/95/73/93/375957393.db2.gz RDQGSJODOQMZHM-RYUDHWBXSA-N 0 3 280.324 1.969 20 5 CDBDHN C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)N(C)C ZINC000347425754 376128614 /nfs/dbraw/zinc/12/86/14/376128614.db2.gz KLPHOBYHEHLWAK-VIFPVBQESA-N 0 3 275.312 1.322 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccccc1 ZINC000267054395 376629400 /nfs/dbraw/zinc/62/94/00/376629400.db2.gz RILPVUXVDNDGJJ-CQSZACIVSA-N 0 3 290.323 1.457 20 5 CDBDHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])cn2)CCSC1 ZINC000267055013 376630128 /nfs/dbraw/zinc/63/01/28/376630128.db2.gz FUKYYMHDIIOTHE-LBPRGKRZSA-N 0 3 282.369 1.839 20 5 CDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000174873879 379602841 /nfs/dbraw/zinc/60/28/41/379602841.db2.gz WPZCBYKHWNVUAN-GHMZBOCLSA-N 0 3 252.318 1.912 20 5 CDBDHN CCN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000174863660 379596387 /nfs/dbraw/zinc/59/63/87/379596387.db2.gz XHXUZKNIQPDCIX-GFCCVEGCSA-N 0 3 268.317 1.292 20 5 CDBDHN CO[C@@]1(C)C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174882581 379605735 /nfs/dbraw/zinc/60/57/35/379605735.db2.gz LOTYAADTCWECRP-OCCSQVGLSA-N 0 3 296.371 1.927 20 5 CDBDHN COCC[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281750629 285167422 /nfs/dbraw/zinc/16/74/22/285167422.db2.gz VYRZGOHNVCNJHS-VXGBXAGGSA-N 0 3 282.340 1.951 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCNC(C)(C)C1 ZINC000261603514 390476833 /nfs/dbraw/zinc/47/68/33/390476833.db2.gz QSUGHDATOCMBNU-UHFFFAOYSA-N 0 3 267.333 1.308 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451479240 390625644 /nfs/dbraw/zinc/62/56/44/390625644.db2.gz MIJPZOGGYMARRD-WCQGTBRESA-N 0 3 294.355 1.622 20 5 CDBDHN CCO[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000451550916 390632360 /nfs/dbraw/zinc/63/23/60/390632360.db2.gz XGABTLUODIIEIF-DGCLKSJQSA-N 0 3 282.344 1.538 20 5 CDBDHN CC(C)O[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000517027571 390967874 /nfs/dbraw/zinc/96/78/74/390967874.db2.gz MUCODPKLWKRKHN-LLVKDONJSA-N 0 3 268.317 1.291 20 5 CDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000517082585 390968247 /nfs/dbraw/zinc/96/82/47/390968247.db2.gz ZGKGZNXEQSCJDO-JTQLQIEISA-N 0 3 280.328 1.479 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CO)C1 ZINC000266912593 391054741 /nfs/dbraw/zinc/05/47/41/391054741.db2.gz JKJCRVVBIRGSQK-MNOVXSKESA-N 0 3 250.298 1.970 20 5 CDBDHN CCC[C@@](C)(N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000519708505 391204472 /nfs/dbraw/zinc/20/44/72/391204472.db2.gz FWYSCPCQWOUMDD-CQSZACIVSA-N 0 3 295.339 1.607 20 5 CDBDHN Cc1nc(N2CCN(C3CC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000520337569 391270712 /nfs/dbraw/zinc/27/07/12/391270712.db2.gz FITQIYSHXHHUAH-SNVBAGLBSA-N 0 3 291.355 1.614 20 5 CDBDHN COC[C@@H](O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279081482 391464293 /nfs/dbraw/zinc/46/42/93/391464293.db2.gz MQIHZYWAIRYMJE-SMDDNHRTSA-N 0 3 294.351 1.914 20 5 CDBDHN Cc1cc(N2C[C@H](C)NC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000092027787 391647497 /nfs/dbraw/zinc/64/74/97/391647497.db2.gz JLLYEORFQJFMSZ-UWVGGRQHSA-N 0 3 250.302 1.485 20 5 CDBDHN CN(C)CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000341954467 130171204 /nfs/dbraw/zinc/17/12/04/130171204.db2.gz DSUJNEGMEPSXTE-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN CCc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000237138310 131007316 /nfs/dbraw/zinc/00/73/16/131007316.db2.gz WIFIROBCHXCACK-QWRGUYRKSA-N 0 3 291.351 1.980 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000262814513 131263749 /nfs/dbraw/zinc/26/37/49/131263749.db2.gz RONQDETZGTYHAO-WDEREUQCSA-N 0 3 277.324 1.346 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)C1 ZINC000524285554 392898812 /nfs/dbraw/zinc/89/88/12/392898812.db2.gz ARZIZSNCFKMEQQ-JTQLQIEISA-N 0 3 265.317 1.003 20 5 CDBDHN Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525292888 392925953 /nfs/dbraw/zinc/92/59/53/392925953.db2.gz RFJCJPNMBZLFDG-NSHDSACASA-N 0 3 291.351 1.975 20 5 CDBDHN COC[C@@](C)(O)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532498944 393074886 /nfs/dbraw/zinc/07/48/86/393074886.db2.gz WBXVNNIPVRWVJS-FZMZJTMJSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCNC1=O ZINC000449108085 393129149 /nfs/dbraw/zinc/12/91/49/393129149.db2.gz PNKDBYYWLPIZAO-PWSUYJOCSA-N 0 3 277.324 1.394 20 5 CDBDHN CCCNC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449057772 393129372 /nfs/dbraw/zinc/12/93/72/393129372.db2.gz DWKCMWQRMROWIT-NSHDSACASA-N 0 3 279.340 1.642 20 5 CDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1csc([N+](=O)[O-])c1 ZINC000449660081 393137279 /nfs/dbraw/zinc/13/72/79/393137279.db2.gz DYPJIJZNGJABHL-SSDOTTSWSA-N 0 3 291.279 1.383 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000237473860 140254578 /nfs/dbraw/zinc/25/45/78/140254578.db2.gz XILPLYGVSAZDQG-RKDXNWHRSA-N 0 3 278.312 1.121 20 5 CDBDHN COC[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650365 397608239 /nfs/dbraw/zinc/60/82/39/397608239.db2.gz MDHIVELCRARXIN-SMDDNHRTSA-N 0 3 280.324 1.597 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093898811 147071857 /nfs/dbraw/zinc/07/18/57/147071857.db2.gz CXFRMYBZVWKPPG-WAFBPQNNSA-N 0 3 291.351 1.922 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000343418133 152165708 /nfs/dbraw/zinc/16/57/08/152165708.db2.gz BCNMMORPJRQPQP-PWSUYJOCSA-N 0 3 277.324 1.807 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000346139216 153067581 /nfs/dbraw/zinc/06/75/81/153067581.db2.gz NXAWNNYQFJZPBL-SECBINFHSA-N 0 3 290.323 1.756 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000346258674 153114972 /nfs/dbraw/zinc/11/49/72/153114972.db2.gz KCMZDDGXRPJPRQ-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@]1(CO)CCOC1 ZINC000350222009 154351030 /nfs/dbraw/zinc/35/10/30/154351030.db2.gz IGLVXPRHQKAPMT-PKXJPQMGSA-N 0 3 278.308 1.349 20 5 CDBDHN CN(Cc1csc([N+](=O)[O-])c1)C1CCN(CCO)CC1 ZINC000353362582 155809985 /nfs/dbraw/zinc/80/99/85/155809985.db2.gz ZGSZFNOYONUEKJ-UHFFFAOYSA-N 0 3 299.396 1.545 20 5 CDBDHN CCCN(C)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359133431 158136326 /nfs/dbraw/zinc/13/63/26/158136326.db2.gz XEWCWHNKOIQTGA-UHFFFAOYSA-N 0 3 293.367 1.938 20 5 CDBDHN CO[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000374690622 160308037 /nfs/dbraw/zinc/30/80/37/160308037.db2.gz APXJIVPKBPJZRD-GFCCVEGCSA-N 0 3 268.317 1.292 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343516025 163794478 /nfs/dbraw/zinc/79/44/78/163794478.db2.gz KJBNLJLZELWSMG-BXUZGUMPSA-N 0 3 291.351 1.736 20 5 CDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000035407366 172178333 /nfs/dbraw/zinc/17/83/33/172178333.db2.gz DAJUQQFSFMCXRU-UHFFFAOYSA-N 0 3 264.285 1.422 20 5 CDBDHN CC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285411596 196276537 /nfs/dbraw/zinc/27/65/37/196276537.db2.gz UVFVTZANNIMFOQ-GFCCVEGCSA-N 0 3 252.314 1.840 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CCC3)CC2)cn1 ZINC000525271306 270614288 /nfs/dbraw/zinc/61/42/88/270614288.db2.gz WOBDDYLCKLVPFF-UHFFFAOYSA-N 0 3 276.340 1.912 20 5 CDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000286025953 274620926 /nfs/dbraw/zinc/62/09/26/274620926.db2.gz ZUYSFYKBSJUFEV-QWRGUYRKSA-N 0 3 293.323 1.887 20 5 CDBDHN CN1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000292152662 277160803 /nfs/dbraw/zinc/16/08/03/277160803.db2.gz CIRJAOOFFYFYND-CYBMUJFWSA-N 0 3 262.313 1.522 20 5 CDBDHN CCN(C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066988559 279202129 /nfs/dbraw/zinc/20/21/29/279202129.db2.gz AXFOZVYSDHXMDE-NSHDSACASA-N 0 3 294.355 1.907 20 5 CDBDHN CCOCC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000520799540 281052109 /nfs/dbraw/zinc/05/21/09/281052109.db2.gz MVCPEZIXMUTHIU-ZDUSSCGKSA-N 0 3 282.340 1.780 20 5 CDBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088216 290175996 /nfs/dbraw/zinc/17/59/96/290175996.db2.gz ISYXRXXFZGIPMJ-NWDGAFQWSA-N 0 3 276.340 1.910 20 5 CDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1c([N+](=O)[O-])ncn1C ZINC000568309879 294014800 /nfs/dbraw/zinc/01/48/00/294014800.db2.gz ZEJKOCPRSPOQPP-MNOVXSKESA-N 0 3 279.344 1.391 20 5 CDBDHN CN1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])o3)no2)C1 ZINC000351139312 316239735 /nfs/dbraw/zinc/23/97/35/316239735.db2.gz AGLBLFHSYZYXAT-ZETCQYMHSA-N 0 3 264.241 1.657 20 5 CDBDHN COC[C@@](C)(O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000583316039 325150099 /nfs/dbraw/zinc/15/00/99/325150099.db2.gz QMAXINUNRCPAIH-CABCVRRESA-N 0 3 294.351 1.959 20 5 CDBDHN COC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000183484620 522356941 /nfs/dbraw/zinc/35/69/41/522356941.db2.gz PPWCNHFWEGCASW-KGLIPLIRSA-N 0 3 280.324 1.643 20 5 CDBDHN C[C@@H](Cn1ccnc1)NCc1cccc([N+](=O)[O-])c1 ZINC000035275177 524961837 /nfs/dbraw/zinc/96/18/37/524961837.db2.gz YGCKMHBSCDZDCE-NSHDSACASA-N 0 3 260.297 1.970 20 5 CDBDHN Cc1nn(C)c(N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000049502130 527679159 /nfs/dbraw/zinc/67/91/59/527679159.db2.gz ASVCGTITFHOXBE-JTQLQIEISA-N 0 3 281.360 1.923 20 5 CDBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269670580 528741873 /nfs/dbraw/zinc/74/18/73/528741873.db2.gz UNQFXWBNDVLIJH-ZDUSSCGKSA-N 0 3 282.340 1.721 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000750082854 576975151 /nfs/dbraw/zinc/97/51/51/576975151.db2.gz SDHLELUDDAQUIY-LBPRGKRZSA-N 0 3 268.313 1.331 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCCNc1ncccn1 ZINC000751506271 577046460 /nfs/dbraw/zinc/04/64/60/577046460.db2.gz LPQYEJOPXVYJCE-UHFFFAOYSA-N 0 3 287.323 1.977 20 5 CDBDHN CC(COC(=O)c1ccn(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813104434 617342892 /nfs/dbraw/zinc/34/28/92/617342892.db2.gz CQLVZNHMLCPMLD-JTQLQIEISA-N 0 3 275.264 1.694 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813106279 617343340 /nfs/dbraw/zinc/34/33/40/617343340.db2.gz BYNHUGSJNQMQFH-ZETCQYMHSA-N 0 3 284.224 1.425 20 5 CDBDHN CC(COC(=O)CCNC(=O)c1ccsc1)[N+](=O)[O-] ZINC000813114785 617349230 /nfs/dbraw/zinc/34/92/30/617349230.db2.gz GMOGRBRDOIHYCM-QMMMGPOBSA-N 0 3 286.309 1.076 20 5 CDBDHN CN1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2F)C1 ZINC000893934245 618192908 /nfs/dbraw/zinc/19/29/08/618192908.db2.gz GGYZTUAISVYMBH-ZANVPECISA-N 0 3 265.288 1.874 20 5 CDBDHN CN(CC[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000791051634 618738026 /nfs/dbraw/zinc/73/80/26/618738026.db2.gz HIEQXQPEQJAWQU-UHFFFAOYSA-N 0 3 287.360 1.594 20 5 CDBDHN COc1ccc(CCNCC[N+](=O)[O-])c(OC)c1 ZINC000905072790 626617080 /nfs/dbraw/zinc/61/70/80/626617080.db2.gz SPBLDIQLWOUKAD-UHFFFAOYSA-N 0 3 254.286 1.113 20 5 CDBDHN O=[N+]([O-])CCN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000929675053 630706022 /nfs/dbraw/zinc/70/60/22/630706022.db2.gz AUSFNKWABFCPCF-GFCCVEGCSA-N 0 3 252.289 1.967 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)n1 ZINC001158349991 1162905464 /nfs/dbraw/zinc/90/54/64/1162905464.db2.gz GHUYKXDXMAIRCM-SECBINFHSA-N 0 3 261.285 1.812 20 5 CDBDHN CCNCC(=O)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001577834105 1171752822 /nfs/dbraw/zinc/75/28/22/1171752822.db2.gz NHSRWYYKHUCNLZ-UHFFFAOYSA-N 0 3 267.285 1.542 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)CC(F)F)c1 ZINC000843112521 742850860 /nfs/dbraw/zinc/85/08/60/742850860.db2.gz YVGXNIAXHPAAKF-GXSJLCMTSA-N 0 3 290.266 1.234 20 5 CDBDHN CC(COC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)[N+](=O)[O-] ZINC000813104743 742850179 /nfs/dbraw/zinc/85/01/79/742850179.db2.gz GQKRPJFXZMKGSF-OIBJUYFYSA-N 0 3 296.254 1.460 20 5 CDBDHN Cc1ccc2oc(C(=O)OCC(C)[N+](=O)[O-])cc2n1 ZINC000813112971 742863772 /nfs/dbraw/zinc/86/37/72/742863772.db2.gz MVCZEPMFKIIXBZ-MRVPVSSYSA-N 0 3 264.237 1.958 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](CO)[C@H](CO)C1 ZINC000879693422 742890085 /nfs/dbraw/zinc/89/00/85/742890085.db2.gz CMFITBVRBLAGKG-SDDRHHMPSA-N 0 3 280.324 1.188 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NOCCN(C)C ZINC000817609369 743015169 /nfs/dbraw/zinc/01/51/69/743015169.db2.gz VASGLNKDKGYWPQ-UHFFFAOYSA-N 0 3 281.312 1.435 20 5 CDBDHN CC1(C)OCC(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000819226734 743365092 /nfs/dbraw/zinc/36/50/92/743365092.db2.gz WKHLMDGNCPGFTG-CYBMUJFWSA-N 0 3 296.323 1.369 20 5 CDBDHN C[C@]1(O)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598032 745415356 /nfs/dbraw/zinc/41/53/56/745415356.db2.gz OMYVVPIDNGHMJR-KBPBESRZSA-N 0 3 280.324 1.475 20 5 CDBDHN COc1cc(NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000134268638 745465433 /nfs/dbraw/zinc/46/54/33/745465433.db2.gz FTWXOUUZPLWTSQ-JTQLQIEISA-N 0 3 267.285 1.004 20 5 CDBDHN CC(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[N+](=O)[O-] ZINC000813104000 745602013 /nfs/dbraw/zinc/60/20/13/745602013.db2.gz VXCWEUDNBFZCAV-LURJTMIESA-N 0 3 298.207 1.146 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000714048379 745664854 /nfs/dbraw/zinc/66/48/54/745664854.db2.gz JIADAFAYPXQUKX-LLVKDONJSA-N 0 3 275.312 1.953 20 5 CDBDHN C[C@@H](NC(=O)[C@@H](N)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000312443675 745759078 /nfs/dbraw/zinc/75/90/78/745759078.db2.gz WCJSFNZHEXTVIQ-RNCFNFMXSA-N 0 3 277.324 1.899 20 5 CDBDHN CO[C@H](C(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000860777813 746852368 /nfs/dbraw/zinc/85/23/68/746852368.db2.gz WNWIJACGUOJOCM-KCJUWKMLSA-N 0 3 271.244 1.722 20 5 CDBDHN Cc1cc(NCCN(C)CCO)c(F)cc1[N+](=O)[O-] ZINC000884825378 746871305 /nfs/dbraw/zinc/87/13/05/746871305.db2.gz TUZJPENJMWWPAG-UHFFFAOYSA-N 0 3 271.292 1.378 20 5 CDBDHN CN1CCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823968726 747139263 /nfs/dbraw/zinc/13/92/63/747139263.db2.gz ZGDSCDMOXOGHAG-UHFFFAOYSA-N 0 3 293.327 1.346 20 5 CDBDHN Cn1c(C(=O)OCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000844265461 747390680 /nfs/dbraw/zinc/39/06/80/747390680.db2.gz YZSVGVDCIURIEC-UHFFFAOYSA-N 0 3 281.312 1.576 20 5 CDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H](C)C(=O)N(C)C ZINC000866347678 747429830 /nfs/dbraw/zinc/42/98/30/747429830.db2.gz VXKDTZKCRJONKO-UWVGGRQHSA-N 0 3 297.330 1.731 20 5 CDBDHN CC(C)CN1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000097506408 747694336 /nfs/dbraw/zinc/69/43/36/747694336.db2.gz AZOLVKPPNWLHEG-UHFFFAOYSA-N 0 3 267.333 1.022 20 5 CDBDHN CSc1cccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000842802022 748009468 /nfs/dbraw/zinc/00/94/68/748009468.db2.gz QCSPXHFMSNYCTR-SSDOTTSWSA-N 0 3 256.283 1.626 20 5 CDBDHN N[C@H](CC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000884064436 748547546 /nfs/dbraw/zinc/54/75/46/748547546.db2.gz IAEOKQIDINQQBD-GFCCVEGCSA-N 0 3 275.308 1.611 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCNC1=O ZINC000886743093 748592206 /nfs/dbraw/zinc/59/22/06/748592206.db2.gz SWAMJRNRWWIDLK-LLVKDONJSA-N 0 3 292.339 1.579 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1COC(=O)C1 ZINC001173234316 912328553 /nfs/dbraw/zinc/32/85/53/912328553.db2.gz OEKWWJAELCPSEC-KOLCDFICSA-N 0 3 264.281 1.431 20 5 CDBDHN O=c1ccc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)c[nH]1 ZINC001168303093 908943411 /nfs/dbraw/zinc/94/34/11/908943411.db2.gz HMEAZIXDWWMYKA-UHFFFAOYSA-N 0 3 286.291 1.911 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC001117687910 921981223 /nfs/dbraw/zinc/98/12/23/921981223.db2.gz RALZWTKTEKMYDT-MNOVXSKESA-N 0 3 276.340 1.757 20 5 CDBDHN C[C@@H](N)c1ccn(-c2c(Cl)nccc2[N+](=O)[O-])n1 ZINC001169230836 927837133 /nfs/dbraw/zinc/83/71/33/927837133.db2.gz WLHZHURGLGJHPW-ZCFIWIBFSA-N 0 3 267.676 1.849 20 5 CDBDHN NCc1cn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)cn1 ZINC001154908663 937602628 /nfs/dbraw/zinc/60/26/28/937602628.db2.gz CQWPHKUAPJKZNM-UHFFFAOYSA-N 0 3 258.241 1.116 20 5 CDBDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001155254393 937653750 /nfs/dbraw/zinc/65/37/50/937653750.db2.gz JJOOWSANVSLMLN-MRVPVSSYSA-N 0 3 298.306 1.931 20 5 CDBDHN CC(C)(F)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122509869 937938345 /nfs/dbraw/zinc/93/83/45/937938345.db2.gz AOSRYKUZUIJRFS-UHFFFAOYSA-N 0 3 283.303 1.549 20 5 CDBDHN CN1CCN(C(=N)Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001157910291 938561155 /nfs/dbraw/zinc/56/11/55/938561155.db2.gz AMTDLJCUDKQCAY-UHFFFAOYSA-N 0 3 298.734 1.237 20 5 CDBDHN C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159488347 938731678 /nfs/dbraw/zinc/73/16/78/938731678.db2.gz CIUMYIWSUTWJNP-XCBNKYQSSA-N 0 3 286.719 1.432 20 5 CDBDHN C[C@@H](Nc1nccc(Cl)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159489735 938732041 /nfs/dbraw/zinc/73/20/41/938732041.db2.gz RBDKFCQRVUIMCN-VXNVDRBHSA-N 0 3 286.719 1.432 20 5 CDBDHN CN1CCC[C@@](C)(Nc2ncc([N+](=O)[O-])cc2N)C1 ZINC001162336599 939027572 /nfs/dbraw/zinc/02/75/72/939027572.db2.gz FHFMQWNPSGQCGE-GFCCVEGCSA-N 0 3 265.317 1.468 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3NCCO[C@H]3C2)n1 ZINC001165271068 939538150 /nfs/dbraw/zinc/53/81/50/939538150.db2.gz QDRRFZGSZURMEA-RYUDHWBXSA-N 0 3 292.339 1.174 20 5 CDBDHN CN1CC[C@@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226434672 942004701 /nfs/dbraw/zinc/00/47/01/942004701.db2.gz NYXZAVUQQUDETD-SNVBAGLBSA-N 0 3 274.280 1.621 20 5 CDBDHN CC(C)N1CC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228654561 942349085 /nfs/dbraw/zinc/34/90/85/942349085.db2.gz LAXTYSNAYHKKBS-SECBINFHSA-N 0 3 252.274 1.246 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NC1CCC1 ZINC001254547488 947518949 /nfs/dbraw/zinc/51/89/49/947518949.db2.gz ITZAJALAHRDIKF-NSHDSACASA-N 0 3 291.351 1.784 20 5 CDBDHN O=[N+]([O-])c1cc(O)ccc1-n1cc(CNCC2CC2)nn1 ZINC001327780831 955041432 /nfs/dbraw/zinc/04/14/32/955041432.db2.gz BCEOPZIDCNBMAW-UHFFFAOYSA-N 0 3 289.295 1.381 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000108330329 341995081 /nfs/dbraw/zinc/99/50/81/341995081.db2.gz PWXGPPWDWLQPGK-VIFPVBQESA-N 0 3 283.353 1.728 20 5 CDBDHN C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000031100397 342074546 /nfs/dbraw/zinc/07/45/46/342074546.db2.gz RIGIEMRYHXKADX-SECBINFHSA-N 0 3 266.301 1.666 20 5 CDBDHN Cn1nnc2c1CC[C@H](NCc1ccccc1[N+](=O)[O-])C2 ZINC000594515683 342913666 /nfs/dbraw/zinc/91/36/66/342913666.db2.gz PIWFYEKAHOAHAK-NSHDSACASA-N 0 3 287.323 1.370 20 5 CDBDHN C[C@@H](NC[C@@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000600707986 342243333 /nfs/dbraw/zinc/24/33/33/342243333.db2.gz CERFVIVJSCTBHU-ZYHUDNBSSA-N 0 3 265.313 1.234 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417698 342902787 /nfs/dbraw/zinc/90/27/87/342902787.db2.gz FENLUEFNKXDNAH-GXSJLCMTSA-N 0 3 293.327 1.065 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CNc3ccnn3C2)cc1 ZINC000609406127 342293088 /nfs/dbraw/zinc/29/30/88/342293088.db2.gz NZYDNRSDQQDDFR-LBPRGKRZSA-N 0 3 287.323 1.623 20 5 CDBDHN CNC(=O)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595015998 343001216 /nfs/dbraw/zinc/00/12/16/343001216.db2.gz PGNRJSWICZSLIZ-JTQLQIEISA-N 0 3 295.339 1.780 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN(C2CC2)C2(CO)CCC2)n1 ZINC000595534517 343091832 /nfs/dbraw/zinc/09/18/32/343091832.db2.gz VTBKGXKSNXOFTQ-UHFFFAOYSA-N 0 3 280.328 1.171 20 5 CDBDHN COc1ccc(NC(=O)[C@H](N)CC(F)F)cc1[N+](=O)[O-] ZINC000312465633 362052426 /nfs/dbraw/zinc/05/24/26/362052426.db2.gz LOZADPLJAKQBEB-SSDOTTSWSA-N 0 3 289.238 1.524 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC1=CCCOC1 ZINC000595746708 343150859 /nfs/dbraw/zinc/15/08/59/343150859.db2.gz BRBQVIBXNCCGQE-UHFFFAOYSA-N 0 3 266.301 1.070 20 5 CDBDHN Cc1ccc(CNCCOCCF)cc1[N+](=O)[O-] ZINC000596058273 343222671 /nfs/dbraw/zinc/22/26/71/343222671.db2.gz HFZZVHJGLSXVBQ-UHFFFAOYSA-N 0 3 256.277 1.979 20 5 CDBDHN CCN1CCN(CCNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000596074576 343226126 /nfs/dbraw/zinc/22/61/26/343226126.db2.gz VQLWBTWJMBICPF-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN CC[N@@H+]1CCCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596118994 343232609 /nfs/dbraw/zinc/23/26/09/343232609.db2.gz HWEYFBOEBGOIFA-JTQLQIEISA-N 0 3 280.328 1.982 20 5 CDBDHN CC[N@H+]1CCCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596118994 343232612 /nfs/dbraw/zinc/23/26/12/343232612.db2.gz HWEYFBOEBGOIFA-JTQLQIEISA-N 0 3 280.328 1.982 20 5 CDBDHN Cn1cc(CNCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000265386313 362165652 /nfs/dbraw/zinc/16/56/52/362165652.db2.gz SKZFRHQFTWLWRG-UHFFFAOYSA-N 0 3 276.296 1.077 20 5 CDBDHN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1 ZINC000598914501 343919654 /nfs/dbraw/zinc/91/96/54/343919654.db2.gz GOSYOYNETMJIPS-IUCAKERBSA-N 0 3 296.302 1.948 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(C1CC1)C1CC1 ZINC000599600970 344100443 /nfs/dbraw/zinc/10/04/43/344100443.db2.gz ZOXCGXHHLKPGMX-ZDUSSCGKSA-N 0 3 292.335 1.961 20 5 CDBDHN CC[C@@H]1CN(CC)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602839176 344620578 /nfs/dbraw/zinc/62/05/78/344620578.db2.gz IJWXBDHJZGDTLR-CYBMUJFWSA-N 0 3 295.387 1.516 20 5 CDBDHN C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N(C)C ZINC000603572582 344820325 /nfs/dbraw/zinc/82/03/25/344820325.db2.gz YBJOUKSPKXEEKE-MRVPVSSYSA-N 0 3 295.295 1.003 20 5 CDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000604467880 344893649 /nfs/dbraw/zinc/89/36/49/344893649.db2.gz KSKAMQUXMUAQNS-NSHDSACASA-N 0 3 294.355 1.490 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668496 344982908 /nfs/dbraw/zinc/98/29/08/344982908.db2.gz RDUUJOZDXBCZSU-GFCCVEGCSA-N 0 3 265.313 1.584 20 5 CDBDHN CN(C)CCOC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609564107 345809577 /nfs/dbraw/zinc/80/95/77/345809577.db2.gz HRFXOWUOJSBEJJ-UHFFFAOYSA-N 0 3 294.355 1.537 20 5 CDBDHN CN(C)CCn1cc(Nc2ccc([N+](=O)[O-])nc2)cn1 ZINC000609797062 346001094 /nfs/dbraw/zinc/00/10/94/346001094.db2.gz WPLFQWQPUIWDPO-UHFFFAOYSA-N 0 3 276.300 1.492 20 5 CDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)CN1 ZINC000086468100 179298534 /nfs/dbraw/zinc/29/85/34/179298534.db2.gz QMXSMDNSLAPHFE-YUMQZZPRSA-N 0 3 269.326 1.479 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000086468339 179300066 /nfs/dbraw/zinc/30/00/66/179300066.db2.gz PSMLWQAEGOEAGW-WDEREUQCSA-N 0 3 277.324 1.346 20 5 CDBDHN CN1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000015210404 348522017 /nfs/dbraw/zinc/52/20/17/348522017.db2.gz PDUYBLBMRRIFFC-UHFFFAOYSA-N 0 3 277.284 1.273 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000057159558 348831740 /nfs/dbraw/zinc/83/17/40/348831740.db2.gz SBMCFOHKXPAKCX-ZDUSSCGKSA-N 0 3 291.351 1.738 20 5 CDBDHN Cc1nn(C)c(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000036749348 362939902 /nfs/dbraw/zinc/93/99/02/362939902.db2.gz MCKQQTRRXIHASR-UHFFFAOYSA-N 0 3 253.306 1.143 20 5 CDBDHN CN(C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273991813 192393463 /nfs/dbraw/zinc/39/34/63/192393463.db2.gz XCHYHDAKHZYEFL-UHFFFAOYSA-N 0 3 297.330 1.689 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CC3)CC2)cn1 ZINC000079947962 350992608 /nfs/dbraw/zinc/99/26/08/350992608.db2.gz CESNCPDWFLMGCB-UHFFFAOYSA-N 0 3 262.313 1.522 20 5 CDBDHN CC[C@@H](N[C@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000122148038 187017775 /nfs/dbraw/zinc/01/77/75/187017775.db2.gz NVUFRHTUPJAZLD-BXKDBHETSA-N 0 3 265.313 1.899 20 5 CDBDHN C[C@H]1C[C@@H](O)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000292297308 198234807 /nfs/dbraw/zinc/23/48/07/198234807.db2.gz CWHZZIKJLSUYTK-AAEUAGOBSA-N 0 3 280.324 1.819 20 5 CDBDHN CCN(C)CCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000155811999 188228964 /nfs/dbraw/zinc/22/89/64/188228964.db2.gz WTPXBQVHNKDUBW-UHFFFAOYSA-N 0 3 253.302 1.967 20 5 CDBDHN CN(CCc1nccs1)CCn1ccc([N+](=O)[O-])n1 ZINC000157992491 188351461 /nfs/dbraw/zinc/35/14/61/188351461.db2.gz XZNOPWQTARUAES-UHFFFAOYSA-N 0 3 281.341 1.422 20 5 CDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000283410496 357554306 /nfs/dbraw/zinc/55/43/06/357554306.db2.gz VRURJPZHHHQPLG-LLVKDONJSA-N 0 3 293.323 1.644 20 5 CDBDHN C[C@H](NC[C@H](CO)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000360882352 357730208 /nfs/dbraw/zinc/73/02/08/357730208.db2.gz DMDVMOUPLZQVPV-IACUBPJLSA-N 0 3 294.351 1.890 20 5 CDBDHN Cc1c(CN2CCC(OCCO)CC2)cccc1[N+](=O)[O-] ZINC000135390231 358401861 /nfs/dbraw/zinc/40/18/61/358401861.db2.gz MKCGLZAUZRPIKK-UHFFFAOYSA-N 0 3 294.351 1.877 20 5 CDBDHN COC(=O)COC[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000295433503 358524308 /nfs/dbraw/zinc/52/43/08/358524308.db2.gz OXTIQJRZMVXENV-JTQLQIEISA-N 0 3 282.296 1.263 20 5 CDBDHN CCc1ccc(OC[C@@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797852 358596751 /nfs/dbraw/zinc/59/67/51/358596751.db2.gz PESHLIFUGKPVLA-ZDUSSCGKSA-N 0 3 294.351 1.991 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287488606 358663668 /nfs/dbraw/zinc/66/36/68/358663668.db2.gz NCTKSMVWGFEVPL-ZJUUUORDSA-N 0 3 293.327 1.017 20 5 CDBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](C)OC ZINC000291354568 358945723 /nfs/dbraw/zinc/94/57/23/358945723.db2.gz YFYKBZNTVMJEBG-LLVKDONJSA-N 0 3 283.328 1.113 20 5 CDBDHN CC[C@@H](C)N1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000451840826 359084953 /nfs/dbraw/zinc/08/49/53/359084953.db2.gz KZOTUDMFBSEZMN-LLVKDONJSA-N 0 3 281.360 1.244 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C1(C(N)=O)CCCC1 ZINC000120090655 359106597 /nfs/dbraw/zinc/10/65/97/359106597.db2.gz WMNVFOADHKSGTE-UHFFFAOYSA-N 0 3 291.351 1.867 20 5 CDBDHN COc1ccc(CNC[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353070838 359133098 /nfs/dbraw/zinc/13/30/98/359133098.db2.gz ISRPOWQGTGYCAX-LBPRGKRZSA-N 0 3 280.324 1.712 20 5 CDBDHN CCCN(CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000047496462 359171014 /nfs/dbraw/zinc/17/10/14/359171014.db2.gz BCOXCBRKUSXOHX-UHFFFAOYSA-N 0 3 268.313 1.808 20 5 CDBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347773940 359604656 /nfs/dbraw/zinc/60/46/56/359604656.db2.gz HLZJKYXCTAHRCS-LLVKDONJSA-N 0 3 294.355 1.538 20 5 CDBDHN CNc1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000571830306 359619215 /nfs/dbraw/zinc/61/92/15/359619215.db2.gz VASJBJVNLAWYMV-UHFFFAOYSA-N 0 3 278.312 1.072 20 5 CDBDHN Cc1nc(N(C)[C@@H]2CCN(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297359043 200161002 /nfs/dbraw/zinc/16/10/02/200161002.db2.gz BWFBKXVUNCMXPN-GXSJLCMTSA-N 0 3 279.344 1.470 20 5 CDBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCSC1 ZINC000267343897 359987482 /nfs/dbraw/zinc/98/74/82/359987482.db2.gz TYDIMQPYZGDASK-LBPRGKRZSA-N 0 3 299.352 1.355 20 5 CDBDHN COCCN(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000402 360069389 /nfs/dbraw/zinc/06/93/89/360069389.db2.gz MGFOPYMJQDODFH-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN COCCNCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162840635 360533054 /nfs/dbraw/zinc/53/30/54/360533054.db2.gz DTYXBQCWJMCZCZ-LLVKDONJSA-N 0 3 295.339 1.316 20 5 CDBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000301677174 201130655 /nfs/dbraw/zinc/13/06/55/201130655.db2.gz SXQJBJGQWAJNOA-UHFFFAOYSA-N 0 3 294.355 1.821 20 5 CDBDHN Cc1nc(N2CC[C@H]3CCN(C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000294860405 361492766 /nfs/dbraw/zinc/49/27/66/361492766.db2.gz CZRSWTJRLCMYHY-PWSUYJOCSA-N 0 3 277.328 1.224 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204354 364455173 /nfs/dbraw/zinc/45/51/73/364455173.db2.gz JLDXIYSPELGGQX-GZMMTYOYSA-N 0 3 295.364 1.869 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C1(CCO)CCOCC1 ZINC000353053108 364824647 /nfs/dbraw/zinc/82/46/47/364824647.db2.gz ZKTCWAXSSDZRGC-UHFFFAOYSA-N 0 3 294.351 1.958 20 5 CDBDHN Cc1ccc(CN[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000110911162 365343788 /nfs/dbraw/zinc/34/37/88/365343788.db2.gz VKFGOVWHRZLKNU-LLVKDONJSA-N 0 3 263.297 1.271 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCOC[C@@H](C3CCC3)C2)n1 ZINC000367823356 370923545 /nfs/dbraw/zinc/92/35/45/370923545.db2.gz OJKLGUINRBKZLV-ZDUSSCGKSA-N 0 3 294.355 1.540 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCN1C ZINC000330892793 203361011 /nfs/dbraw/zinc/36/10/11/203361011.db2.gz DHIBQFVPSIJDHX-DTWKUNHWSA-N 0 3 267.285 1.400 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091673205 374099028 /nfs/dbraw/zinc/09/90/28/374099028.db2.gz JTAAALWNTXBIPQ-YPMHNXCESA-N 0 3 292.339 1.573 20 5 CDBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299003118 374294216 /nfs/dbraw/zinc/29/42/16/374294216.db2.gz MWJNDNVYALKKKP-SNVBAGLBSA-N 0 3 280.328 1.385 20 5 CDBDHN CS(=O)(=O)CCCCNCc1ccc([N+](=O)[O-])cc1 ZINC000424167178 246364215 /nfs/dbraw/zinc/36/42/15/246364215.db2.gz BYYWMAQNZDQZRK-UHFFFAOYSA-N 0 3 286.353 1.509 20 5 CDBDHN CN1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000447815514 374715137 /nfs/dbraw/zinc/71/51/37/374715137.db2.gz DYZANKBSDIIZIT-JTQLQIEISA-N 0 3 294.359 1.330 20 5 CDBDHN CCOCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000093313193 374742120 /nfs/dbraw/zinc/74/21/20/374742120.db2.gz ZFOMAFOGEVGAOX-UHFFFAOYSA-N 0 3 268.313 1.942 20 5 CDBDHN CN1CC[C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000449519617 374818962 /nfs/dbraw/zinc/81/89/62/374818962.db2.gz QGINNXJJXSWBIN-OCCSQVGLSA-N 0 3 261.325 1.731 20 5 CDBDHN CC1(C)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330516590 374860761 /nfs/dbraw/zinc/86/07/61/374860761.db2.gz LYXHJHQFOMFZTH-UHFFFAOYSA-N 0 3 252.318 1.913 20 5 CDBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCN1CCCCC1)CC2 ZINC000332590589 375037426 /nfs/dbraw/zinc/03/74/26/375037426.db2.gz KJAIYYQWZMSPIN-UHFFFAOYSA-N 0 3 290.367 1.834 20 5 CDBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299667358 375191527 /nfs/dbraw/zinc/19/15/27/375191527.db2.gz XPDNPDHTSKEMPS-UHFFFAOYSA-N 0 3 266.301 1.091 20 5 CDBDHN Cc1c(CNCC2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000162629635 375391615 /nfs/dbraw/zinc/39/16/15/375391615.db2.gz XUAHOJXWNJHAIP-UHFFFAOYSA-N 0 3 280.324 1.534 20 5 CDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000352112618 375353256 /nfs/dbraw/zinc/35/32/56/375353256.db2.gz UZNCLDSJTZYGLE-CQSZACIVSA-N 0 3 295.339 1.027 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H](O)C(F)F ZINC000344766328 375430550 /nfs/dbraw/zinc/43/05/50/375430550.db2.gz XMCFQDUEAKDRHL-USEMIUTHSA-N 0 3 272.251 1.824 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)C2CC2)c(F)c1 ZINC000353069176 375573828 /nfs/dbraw/zinc/57/38/28/375573828.db2.gz FKMZTFISCSCCCF-LLVKDONJSA-N 0 3 268.288 1.842 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000353492834 375619503 /nfs/dbraw/zinc/61/95/03/375619503.db2.gz VOLIVAHJLALKDK-UHFFFAOYSA-N 0 3 266.297 1.429 20 5 CDBDHN CC(COC(=O)CCNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496347107 375737115 /nfs/dbraw/zinc/73/71/15/375737115.db2.gz WAMXPKOJYUCKQE-MRVPVSSYSA-N 0 3 276.289 1.110 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCCO1 ZINC000267045057 376524253 /nfs/dbraw/zinc/52/42/53/376524253.db2.gz DXYGJIUTSOEKDQ-NSHDSACASA-N 0 3 268.317 1.292 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000267059104 376677543 /nfs/dbraw/zinc/67/75/43/376677543.db2.gz BGPKDBSQYMEBPP-UHFFFAOYSA-N 0 3 291.307 1.975 20 5 CDBDHN COc1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129553481 377719393 /nfs/dbraw/zinc/71/93/93/377719393.db2.gz MJEAXRNQAKFHIU-CHWSQXEVSA-N 0 3 280.324 1.852 20 5 CDBDHN CCN(CC)CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089304550 377818740 /nfs/dbraw/zinc/81/87/40/377818740.db2.gz WQLBFSDEHVXOSK-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@]1(O)CCOC1 ZINC000269954207 377825406 /nfs/dbraw/zinc/82/54/06/377825406.db2.gz HRQKPZAIOYPALK-KQIUPUNMSA-N 0 3 278.308 1.349 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172978304 377793108 /nfs/dbraw/zinc/79/31/08/377793108.db2.gz RHQMMZMRDYYWAR-AWEZNQCLSA-N 0 3 291.351 1.738 20 5 CDBDHN CC(C)[C@@H](CCO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444671721 250164076 /nfs/dbraw/zinc/16/40/76/250164076.db2.gz DMQWBPOHHNOMJQ-LLVKDONJSA-N 0 3 292.339 1.968 20 5 CDBDHN CN(C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000289453818 197354215 /nfs/dbraw/zinc/35/42/15/197354215.db2.gz FKAGXUOEKILPSO-AWEZNQCLSA-N 0 3 291.351 1.412 20 5 CDBDHN CNC(=O)[C@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000492482097 253229649 /nfs/dbraw/zinc/22/96/49/253229649.db2.gz FZPOCIVGFGANAD-BRNRAETOSA-N 0 3 277.324 1.722 20 5 CDBDHN O=[N+]([O-])c1cc(CNCCN2CCCOCC2)cs1 ZINC000289430356 197343263 /nfs/dbraw/zinc/34/32/63/197343263.db2.gz KOERUPSMBCOQHC-UHFFFAOYSA-N 0 3 285.369 1.468 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](N3CCCC3)C2)s1 ZINC000190324308 285176307 /nfs/dbraw/zinc/17/63/07/285176307.db2.gz MYFLUEQVIBEMSA-SECBINFHSA-N 0 3 268.342 1.726 20 5 CDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000286330425 390197878 /nfs/dbraw/zinc/19/78/78/390197878.db2.gz LLBMKOZQLLNHQZ-WDEREUQCSA-N 0 3 277.328 1.448 20 5 CDBDHN CCO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000451537908 390630841 /nfs/dbraw/zinc/63/08/41/390630841.db2.gz IWTJGPCRFKZKJY-RYUDHWBXSA-N 0 3 282.344 1.538 20 5 CDBDHN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)O ZINC000395296322 390840149 /nfs/dbraw/zinc/84/01/49/390840149.db2.gz HTIYGBFQKZCTOO-GXSJLCMTSA-N 0 3 268.313 1.852 20 5 CDBDHN CC(C)Oc1nc(NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000519708949 391204542 /nfs/dbraw/zinc/20/45/42/391204542.db2.gz OATFKZROPFPEFV-UHFFFAOYSA-N 0 3 294.355 1.705 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000191721680 130288076 /nfs/dbraw/zinc/28/80/76/130288076.db2.gz BYAISGVIHRLXRX-UHFFFAOYSA-N 0 3 295.339 1.593 20 5 CDBDHN CC(COC(=O)[C@@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496510408 391923699 /nfs/dbraw/zinc/92/36/99/391923699.db2.gz CRXLMKKHDMJRQT-HTQZYQBOSA-N 0 3 276.289 1.108 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CC2)c1 ZINC000416299527 391983273 /nfs/dbraw/zinc/98/32/73/391983273.db2.gz GKLNLKCCOZHLRN-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CCc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000237138144 131007016 /nfs/dbraw/zinc/00/70/16/131007016.db2.gz WIFIROBCHXCACK-GHMZBOCLSA-N 0 3 291.351 1.980 20 5 CDBDHN Cc1sc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262832856 131266246 /nfs/dbraw/zinc/26/62/46/131266246.db2.gz VNFFBPLYGRHJOY-SFYZADRCSA-N 0 3 283.353 1.787 20 5 CDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000425048859 392985563 /nfs/dbraw/zinc/98/55/63/392985563.db2.gz CXGLOCIAVJJSDI-GXSJLCMTSA-N 0 3 278.312 1.089 20 5 CDBDHN CN(C)CCN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000080390457 393039888 /nfs/dbraw/zinc/03/98/88/393039888.db2.gz PTIRTDZLCWSIDX-CMDGGOBGSA-N 0 3 277.324 1.628 20 5 CDBDHN COC(=O)COC[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000449276114 393132173 /nfs/dbraw/zinc/13/21/73/393132173.db2.gz ATGKTLSJAVJGQX-JTQLQIEISA-N 0 3 296.323 1.571 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252667534 140321297 /nfs/dbraw/zinc/32/12/97/140321297.db2.gz LBJPOVMQVYBFOY-WDEREUQCSA-N 0 3 278.312 1.265 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252844314 140326525 /nfs/dbraw/zinc/32/65/25/140326525.db2.gz BSNAVDTYGMAOFZ-JKOKRWQUSA-N 0 3 262.309 1.798 20 5 CDBDHN N[C@@H](CC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000311019151 149207617 /nfs/dbraw/zinc/20/76/17/149207617.db2.gz NSVWESGIRPDGCM-QMMMGPOBSA-N 0 3 259.212 1.516 20 5 CDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000334008567 149298546 /nfs/dbraw/zinc/29/85/46/149298546.db2.gz UZIXNTRLTLYMHT-VHSXEESVSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343516080 152208351 /nfs/dbraw/zinc/20/83/51/152208351.db2.gz KNIUTDNPKHPKBK-YPMHNXCESA-N 0 3 291.351 1.736 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354072578 156253336 /nfs/dbraw/zinc/25/33/36/156253336.db2.gz JGXRNVHQKMWROJ-WRWORJQWSA-N 0 3 291.311 1.205 20 5 CDBDHN N[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000399029038 270367835 /nfs/dbraw/zinc/36/78/35/270367835.db2.gz KZGXKZUDYNKWMV-ZDUSSCGKSA-N 0 3 277.324 1.381 20 5 CDBDHN C[C@@H](NC[C@]1(C)CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000453418675 274251414 /nfs/dbraw/zinc/25/14/14/274251414.db2.gz YQIRXOGIQVWHKN-YGRLFVJLSA-N 0 3 277.324 1.914 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](N2CCCCC2)C1 ZINC000264572270 275012788 /nfs/dbraw/zinc/01/27/88/275012788.db2.gz SLVWRHKZODQCMS-NSHDSACASA-N 0 3 293.323 1.888 20 5 CDBDHN CN(c1nc2ccccc2cc1[N+](=O)[O-])C1CNC1 ZINC000420265419 277004104 /nfs/dbraw/zinc/00/41/04/277004104.db2.gz VEWFKVSNDLDDMA-UHFFFAOYSA-N 0 3 258.281 1.551 20 5 CDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000119032487 277157663 /nfs/dbraw/zinc/15/76/63/277157663.db2.gz IUXPNDVFEDICTP-GHMZBOCLSA-N 0 3 293.323 1.744 20 5 CDBDHN COc1ccc(CN[C@@H]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000230677706 280117882 /nfs/dbraw/zinc/11/78/82/280117882.db2.gz ZCMODAYFLGUXJR-VXGBXAGGSA-N 0 3 280.324 1.854 20 5 CDBDHN C[C@]1(F)CNCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420344389 280164077 /nfs/dbraw/zinc/16/40/77/280164077.db2.gz YBPNXPFMPHYKJY-AWEZNQCLSA-N 0 3 281.331 1.771 20 5 CDBDHN N[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000564823629 293423188 /nfs/dbraw/zinc/42/31/88/293423188.db2.gz MIEODYFNMPEUTN-ZDUSSCGKSA-N 0 3 293.323 1.217 20 5 CDBDHN CN1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000563419425 316304453 /nfs/dbraw/zinc/30/44/53/316304453.db2.gz UYKRRXTVZPBOBS-CABZTGNLSA-N 0 3 275.308 1.402 20 5 CDBDHN CCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181678518 323242049 /nfs/dbraw/zinc/24/20/49/323242049.db2.gz NCVSPQICXNHKGQ-SNVBAGLBSA-N 0 3 254.286 1.286 20 5 CDBDHN CCN(C)CCNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000049320530 520241774 /nfs/dbraw/zinc/24/17/74/520241774.db2.gz TWIJVOKGJMIUBP-UHFFFAOYSA-N 0 3 280.328 1.318 20 5 CDBDHN Cc1c(CNC(=O)N2CCCNCC2)cccc1[N+](=O)[O-] ZINC000418077967 533852673 /nfs/dbraw/zinc/85/26/73/533852673.db2.gz IWFWPCSSUACTHZ-UHFFFAOYSA-N 0 3 292.339 1.408 20 5 CDBDHN CC[C@](C)(O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000187330639 523495083 /nfs/dbraw/zinc/49/50/83/523495083.db2.gz DODQQTIZAXAXPO-HNNXBMFYSA-N 0 3 293.367 1.878 20 5 CDBDHN COCCN(C)CCNc1ccccc1[N+](=O)[O-] ZINC000061379501 523615058 /nfs/dbraw/zinc/61/50/58/523615058.db2.gz FLGSFCAIKIQRED-UHFFFAOYSA-N 0 3 253.302 1.585 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761069292 576540864 /nfs/dbraw/zinc/54/08/64/576540864.db2.gz JSLLPGLQWPLXAN-GFCCVEGCSA-N 0 3 279.340 1.610 20 5 CDBDHN O=[N+]([O-])c1c(N2CC[C@H](N3CC=CC3)C2)nc2ccccn21 ZINC000742416484 576601462 /nfs/dbraw/zinc/60/14/62/576601462.db2.gz YZPMOZHSOJQYHW-LBPRGKRZSA-N 0 3 299.334 1.693 20 5 CDBDHN C[C@H](N[C@@H](CO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763069016 576708176 /nfs/dbraw/zinc/70/81/76/576708176.db2.gz NZCCAQSQSABUSO-CABZTGNLSA-N 0 3 293.323 1.282 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)c2ccco2)c1 ZINC000749670296 576956877 /nfs/dbraw/zinc/95/68/77/576956877.db2.gz KOIIMUFHGUCRDH-CHWSQXEVSA-N 0 3 292.291 1.544 20 5 CDBDHN Cc1ccc(CC(=O)OCC(C)[N+](=O)[O-])c(Cl)n1 ZINC000893043802 618091364 /nfs/dbraw/zinc/09/13/64/618091364.db2.gz CXBNLZWOMKNSCW-QMMMGPOBSA-N 0 3 272.688 1.794 20 5 CDBDHN CC(COC(=O)c1ccc([C@H]2CCC(=O)N2)cc1)[N+](=O)[O-] ZINC000893044477 618092303 /nfs/dbraw/zinc/09/23/03/618092303.db2.gz JMKKZZLDCWSDAK-JOYOIKCWSA-N 0 3 292.291 1.460 20 5 CDBDHN CN1C[C@H]2[C@@H](CCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000893936085 618195366 /nfs/dbraw/zinc/19/53/66/618195366.db2.gz VEFSWYLUQUCHCZ-ZANVPECISA-N 0 3 292.295 1.643 20 5 CDBDHN COc1c(O)ccc(CN[C@@H]2CCC[C@H]2OC)c1[N+](=O)[O-] ZINC000894731051 619032400 /nfs/dbraw/zinc/03/24/00/619032400.db2.gz YYHMTPGAGKSOLC-ZYHUDNBSSA-N 0 3 296.323 1.966 20 5 CDBDHN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NCC[N+](=O)[O-])CC1 ZINC000905264244 626713222 /nfs/dbraw/zinc/71/32/22/626713222.db2.gz TYXVASOXHHTICI-NSHDSACASA-N 0 3 299.371 1.642 20 5 CDBDHN COc1ccc(C[C@@H](C)N[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC001170299147 1162328808 /nfs/dbraw/zinc/32/88/08/1162328808.db2.gz RCPAPLFMLRSANA-BXKDBHETSA-N 0 3 293.323 1.013 20 5 CDBDHN Cc1cc(N[C@H](C)[C@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001170566057 1162932070 /nfs/dbraw/zinc/93/20/70/1162932070.db2.gz DMOHFSGWEDHZLX-MWLCHTKSSA-N 0 3 266.301 1.087 20 5 CDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2NC[C@H]3C[C@H]32)n1 ZINC001211568598 1159190759 /nfs/dbraw/zinc/19/07/59/1159190759.db2.gz NNKBZSUHEXDBHI-FKBGGTMYSA-N 0 3 291.242 1.459 20 5 CDBDHN C[NH2+]C[C@H](C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604892386 1163371264 /nfs/dbraw/zinc/37/12/64/1163371264.db2.gz QCCJVDLQWKYVBU-QMMMGPOBSA-N 0 3 291.315 1.042 20 5 CDBDHN C[NH2+]C[C@H](C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604892386 1163371268 /nfs/dbraw/zinc/37/12/68/1163371268.db2.gz QCCJVDLQWKYVBU-QMMMGPOBSA-N 0 3 291.315 1.042 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H](N)CC1CC1 ZINC001578478401 1171930065 /nfs/dbraw/zinc/93/00/65/1171930065.db2.gz FHPTWVXMXFKLPY-CQSZACIVSA-N 0 3 291.351 1.723 20 5 CDBDHN COc1ccc2c(c1)C=C(C(=O)OCC(C)[N+](=O)[O-])CO2 ZINC000813113147 1163815931 /nfs/dbraw/zinc/81/59/31/1163815931.db2.gz XQSFFRCKNTUIGK-VIFPVBQESA-N 0 3 293.275 1.679 20 5 CDBDHN Cc1onc(-c2ccncc2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114817 751855454 /nfs/dbraw/zinc/85/54/54/751855454.db2.gz WSGBUJMBFBRODN-MRVPVSSYSA-N 0 3 291.263 1.867 20 5 CDBDHN CN(C)C[C@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853625597 752005938 /nfs/dbraw/zinc/00/59/38/752005938.db2.gz UIBBSAQMRSIOLD-MRVPVSSYSA-N 0 3 296.352 1.539 20 5 CDBDHN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000856795750 749383222 /nfs/dbraw/zinc/38/32/22/749383222.db2.gz IVKRKZQNOHWEDN-OSAQELSMSA-N 0 3 294.351 1.579 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(=O)O1 ZINC000852019338 749394528 /nfs/dbraw/zinc/39/45/28/749394528.db2.gz YJKVSWSUVRIKFB-CYBMUJFWSA-N 0 3 278.308 1.775 20 5 CDBDHN CCN1C[C@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000834889770 749461467 /nfs/dbraw/zinc/46/14/67/749461467.db2.gz JNKRPQZQXUJVGX-MWLCHTKSSA-N 0 3 292.339 1.448 20 5 CDBDHN COC[C@@H](NCc1cccnc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886918187 749803029 /nfs/dbraw/zinc/80/30/29/749803029.db2.gz TZLFDHMJEXTXRT-QWHCGFSZSA-N 0 3 295.339 1.521 20 5 CDBDHN CC(C)[C@H](NCC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000930437863 749919806 /nfs/dbraw/zinc/91/98/06/749919806.db2.gz RVBQWIYISSREAI-QWHCGFSZSA-N 0 3 252.314 1.611 20 5 CDBDHN C[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000124302157 750161322 /nfs/dbraw/zinc/16/13/22/750161322.db2.gz ZMKAUQQLDBYDOY-SSDOTTSWSA-N 0 3 265.248 1.393 20 5 CDBDHN CC(COC(=O)c1ccn(-c2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813103119 750806028 /nfs/dbraw/zinc/80/60/28/750806028.db2.gz ODIMJGDXOHFWFT-SECBINFHSA-N 0 3 293.254 1.833 20 5 CDBDHN COCC(COC)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000930354692 750844338 /nfs/dbraw/zinc/84/43/38/750844338.db2.gz RTQCGSQWZWFGOQ-UHFFFAOYSA-N 0 3 282.340 1.731 20 5 CDBDHN CN(CCO)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000884825096 751095882 /nfs/dbraw/zinc/09/58/82/751095882.db2.gz DWSJENIBABBUKG-UHFFFAOYSA-N 0 3 257.265 1.070 20 5 CDBDHN CN(C)C[C@H](CO)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884508932 753280886 /nfs/dbraw/zinc/28/08/86/753280886.db2.gz SKNOWXVJCISGNV-SNVBAGLBSA-N 0 3 290.323 1.477 20 5 CDBDHN CC[C@H]1CN(C)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195475 753281615 /nfs/dbraw/zinc/28/16/15/753281615.db2.gz ZDMSICVBPVAVSP-DZGCQCFKSA-N 0 3 293.367 1.654 20 5 CDBDHN Cc1cc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)nn1C ZINC001167768470 900274021 /nfs/dbraw/zinc/27/40/21/900274021.db2.gz CIUKDZNUWRSCFD-UHFFFAOYSA-N 0 3 287.323 1.852 20 5 CDBDHN C[C@@H]1C[C@H](O)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832718738 936593405 /nfs/dbraw/zinc/59/34/05/936593405.db2.gz VJBMVXZCTUIOSA-DDTOSNHZSA-N 0 3 280.324 1.331 20 5 CDBDHN NCc1cn(-c2c(Cl)cncc2[N+](=O)[O-])cn1 ZINC001162304149 922227724 /nfs/dbraw/zinc/22/77/24/922227724.db2.gz KUBDUYGPEKSCEU-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN CC(C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000842801485 937081188 /nfs/dbraw/zinc/08/11/88/937081188.db2.gz IQVQJXTUTDVRDX-ZJUUUORDSA-N 0 3 289.328 1.809 20 5 CDBDHN CCOC(=O)c1c(CN)ncn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962329 927581779 /nfs/dbraw/zinc/58/17/79/927581779.db2.gz LKLBLVKTXWEBEK-NXEZZACHSA-N 0 3 296.327 1.136 20 5 CDBDHN COC(=O)[C@@]1(C)CCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011974 927616250 /nfs/dbraw/zinc/61/62/50/927616250.db2.gz OCHAYBXDCCZFEC-NTZNESFSSA-N 0 3 270.329 1.459 20 5 CDBDHN CCCNC(=O)[C@@H]1CCCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026521 927667446 /nfs/dbraw/zinc/66/74/46/927667446.db2.gz LYJSBNKOXXHGII-MJBXVCDLSA-N 0 3 297.399 1.813 20 5 CDBDHN CC(=O)Nc1ccc(-n2ccc([C@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169233946 927848859 /nfs/dbraw/zinc/84/88/59/927848859.db2.gz UNBNMFVSQVCLFF-QMMMGPOBSA-N 0 3 289.295 1.759 20 5 CDBDHN CC1(C)OC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)O1 ZINC001169911492 928515759 /nfs/dbraw/zinc/51/57/59/928515759.db2.gz ZMPNFBZCFXXEMJ-LLVKDONJSA-N 0 3 293.323 1.761 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1 ZINC000856489115 928606732 /nfs/dbraw/zinc/60/67/32/928606732.db2.gz JNABEFQGEOKPKV-ZDUSSCGKSA-N 0 3 292.339 1.247 20 5 CDBDHN CCN1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823204782 931273413 /nfs/dbraw/zinc/27/34/13/931273413.db2.gz LRWNAFAKSBZDMF-UHFFFAOYSA-N 0 3 271.361 1.376 20 5 CDBDHN NCc1cn(-c2ncnc3cc([N+](=O)[O-])ccc32)cn1 ZINC001154906899 937602680 /nfs/dbraw/zinc/60/26/80/937602680.db2.gz QHZQRUIHIQHZMY-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN COc1cnc(-n2ccc([C@@H](C)N)n2)c([N+](=O)[O-])c1 ZINC001158347965 938611430 /nfs/dbraw/zinc/61/14/30/938611430.db2.gz ATMKRTPTJJHAOY-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159488348 938731508 /nfs/dbraw/zinc/73/15/08/938731508.db2.gz CIUMYIWSUTWJNP-XVKPBYJWSA-N 0 3 286.719 1.432 20 5 CDBDHN CCOc1nc(N[C@@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159498236 938734289 /nfs/dbraw/zinc/73/42/89/938734289.db2.gz KXRFHRCPPYDSHA-ONGXEEELSA-N 0 3 296.327 1.177 20 5 CDBDHN NCc1ccnn1-c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001162591616 939096354 /nfs/dbraw/zinc/09/63/54/939096354.db2.gz YFEJKSSGYOIENZ-UHFFFAOYSA-N 0 3 288.242 1.322 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2nc(CN)cc2C)c1 ZINC001163986061 939372686 /nfs/dbraw/zinc/37/26/86/939372686.db2.gz QJADAKQRNFRFEU-UHFFFAOYSA-N 0 3 290.279 1.334 20 5 CDBDHN CC[N@@H+]1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666475 941897540 /nfs/dbraw/zinc/89/75/40/941897540.db2.gz JIFAVKDABYECSC-VIFPVBQESA-N 0 3 267.285 1.559 20 5 CDBDHN CC[N@H+]1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666475 941897543 /nfs/dbraw/zinc/89/75/43/941897543.db2.gz JIFAVKDABYECSC-VIFPVBQESA-N 0 3 267.285 1.559 20 5 CDBDHN CCN1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226173709 941963030 /nfs/dbraw/zinc/96/30/30/941963030.db2.gz VFHBZIWGTVUVTR-LLVKDONJSA-N 0 3 293.323 1.557 20 5 CDBDHN CN1CCC(Oc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC001230313059 942606393 /nfs/dbraw/zinc/60/63/93/942606393.db2.gz TWMMJNMERVZIGH-UHFFFAOYSA-N 0 3 281.268 1.976 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262035630 946391646 /nfs/dbraw/zinc/39/16/46/946391646.db2.gz QDQWIZHQEXKIQF-AWEZNQCLSA-N 0 3 289.335 1.607 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC001254532387 947507614 /nfs/dbraw/zinc/50/76/14/947507614.db2.gz NSGLVBAXRDCHLZ-ZYHUDNBSSA-N 0 3 298.364 1.303 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCNC1=O ZINC001254532268 947508145 /nfs/dbraw/zinc/50/81/45/947508145.db2.gz MMCQEBKRJVVXTI-GXSJLCMTSA-N 0 3 263.297 1.004 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@@H](CO)C1 ZINC001254551827 947520642 /nfs/dbraw/zinc/52/06/42/947520642.db2.gz GGWMTGBBRAUKCP-UXIGCNINSA-N 0 3 294.351 1.201 20 5 CDBDHN COC[C@@H]1CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611068 947555692 /nfs/dbraw/zinc/55/56/92/947555692.db2.gz UDVBXZQPIGTDEA-UONOGXRCSA-N 0 3 262.309 1.783 20 5 CDBDHN O=C1C[C@@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001327511011 954912445 /nfs/dbraw/zinc/91/24/45/954912445.db2.gz ABQNUHOIDFUHIT-SNVBAGLBSA-N 0 3 275.308 1.089 20 5 CDBDHN C[C@@H](NC[C@@H](O)C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC001308071280 956466836 /nfs/dbraw/zinc/46/68/36/956466836.db2.gz YLUZRDBRMRODHF-BXKDBHETSA-N 0 3 268.313 1.377 20 5 CDBDHN COc1cc(C[NH2+]C[C@@H](C)CCO)c([N+](=O)[O-])cc1[O-] ZINC001308286887 956512186 /nfs/dbraw/zinc/51/21/86/956512186.db2.gz SAYKDIZQOFKXRH-VIFPVBQESA-N 0 3 284.312 1.417 20 5 CDBDHN C[C@@]1(CO)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965603 958817227 /nfs/dbraw/zinc/81/72/27/958817227.db2.gz SPUXTCLIXAPVHM-HUUCEWRRSA-N 0 3 294.351 1.723 20 5 CDBDHN CC(COC(=O)c1cccc2c1OCC2)[N+](=O)[O-] ZINC001343653608 964081640 /nfs/dbraw/zinc/08/16/40/964081640.db2.gz VSKWRXTXQAFSGS-QMMMGPOBSA-N 0 3 251.238 1.444 20 5 CDBDHN CC(COC(=O)Cc1c[nH]c2cnccc12)[N+](=O)[O-] ZINC001344812093 964437447 /nfs/dbraw/zinc/43/74/47/964437447.db2.gz CMCGJNOHKDUHFO-QMMMGPOBSA-N 0 3 263.253 1.314 20 5 CDBDHN Cc1nn(C)c(N2C[C@H]3CCN(C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000601184005 342489133 /nfs/dbraw/zinc/48/91/33/342489133.db2.gz FELFKMQHMCKENK-MNOVXSKESA-N 0 3 279.344 1.025 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@]2(CCN(C)C2)C1 ZINC000589879255 342516203 /nfs/dbraw/zinc/51/62/03/342516203.db2.gz YNNUHZITNPDJOL-AWEZNQCLSA-N 0 3 293.371 1.652 20 5 CDBDHN CN[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856303 341994725 /nfs/dbraw/zinc/99/47/25/341994725.db2.gz JHUVMTXFZPHUTP-VIFPVBQESA-N 0 3 251.286 1.127 20 5 CDBDHN CC1CCN(C[C@H](O)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000067373180 342048828 /nfs/dbraw/zinc/04/88/28/342048828.db2.gz KMUPZAZNHCOBGP-CYBMUJFWSA-N 0 3 294.355 1.495 20 5 CDBDHN O=[N+]([O-])c1ncccc1NCCCN1CCC(O)CC1 ZINC000609075055 342089864 /nfs/dbraw/zinc/08/98/64/342089864.db2.gz QJHLCHSECZOGRW-UHFFFAOYSA-N 0 3 280.328 1.249 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NC1CC1 ZINC000294966625 199274692 /nfs/dbraw/zinc/27/46/92/199274692.db2.gz GEHHWHLFJHVCNA-VIFPVBQESA-N 0 3 263.297 1.982 20 5 CDBDHN C[C@H](NC[C@@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1 ZINC000591581766 342637901 /nfs/dbraw/zinc/63/79/01/342637901.db2.gz RFQDEZWRLVZKKZ-DLOVCJGASA-N 0 3 267.304 1.945 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCCC[C@H]1CO ZINC000157002233 342176045 /nfs/dbraw/zinc/17/60/45/342176045.db2.gz XLSFLGBHCQXKBM-LBPRGKRZSA-N 0 3 282.344 1.337 20 5 CDBDHN Cn1cnc(CNCCc2ccccc2[N+](=O)[O-])c1 ZINC000588924857 342224628 /nfs/dbraw/zinc/22/46/28/342224628.db2.gz KYSQYOCRIFBZRZ-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710402 342243695 /nfs/dbraw/zinc/24/36/95/342243695.db2.gz OGGMFLOMGZPEMV-YPMHNXCESA-N 0 3 279.340 1.542 20 5 CDBDHN C[C@@]1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453594127 252328340 /nfs/dbraw/zinc/32/83/40/252328340.db2.gz WOYLXDPTJIEPKU-DRDHIDPGSA-N 0 3 289.335 1.866 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000079768024 342232850 /nfs/dbraw/zinc/23/28/50/342232850.db2.gz MHRWQIDGALHEQH-CQSZACIVSA-N 0 3 280.324 1.676 20 5 CDBDHN Nc1nc(N[C@@H]2CCCN3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000594602487 342924162 /nfs/dbraw/zinc/92/41/62/342924162.db2.gz QSXLDDZRHLMWMC-NXEZZACHSA-N 0 3 292.343 1.226 20 5 CDBDHN COCCN1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000080601188 342268278 /nfs/dbraw/zinc/26/82/78/342268278.db2.gz YHQYLLQJJYGOHQ-GFCCVEGCSA-N 0 3 294.355 1.821 20 5 CDBDHN CC(C)(C)[C@H](N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651641 342933045 /nfs/dbraw/zinc/93/30/45/342933045.db2.gz FDEIQLSZWYKQPU-GFCCVEGCSA-N 0 3 291.311 1.927 20 5 CDBDHN CC(C)(NC[C@H]1CNC(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000595508547 343080483 /nfs/dbraw/zinc/08/04/83/343080483.db2.gz BFKWMNIOPCBDSE-SNVBAGLBSA-N 0 3 277.324 1.556 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000595541811 343093588 /nfs/dbraw/zinc/09/35/88/343093588.db2.gz CSQPUYLLQNCYBE-DGCLKSJQSA-N 0 3 298.314 1.611 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595872689 343177072 /nfs/dbraw/zinc/17/70/72/343177072.db2.gz KQNSBQWBRWSKDG-WFASDCNBSA-N 0 3 294.351 1.924 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N[C@H](CO)CN(C)C)c1 ZINC000596244526 343285920 /nfs/dbraw/zinc/28/59/20/343285920.db2.gz REFAVBCASVYMSP-JTQLQIEISA-N 0 3 253.302 1.238 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H](CO)CN(C)C)c1 ZINC000596244529 343285956 /nfs/dbraw/zinc/28/59/56/343285956.db2.gz REFAVBCASVYMSP-SNVBAGLBSA-N 0 3 253.302 1.238 20 5 CDBDHN CN(C)CCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087435220 342385407 /nfs/dbraw/zinc/38/54/07/342385407.db2.gz KTTVYAFDRNJXFU-UHFFFAOYSA-N 0 3 279.340 1.547 20 5 CDBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CCn1cc([N+](=O)[O-])cn1 ZINC000367582953 362190110 /nfs/dbraw/zinc/19/01/10/362190110.db2.gz ACRPDPXJOZMENG-GOCOPAARSA-N 0 3 292.339 1.147 20 5 CDBDHN CCN[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602441253 344418457 /nfs/dbraw/zinc/41/84/57/344418457.db2.gz VMTAUMWDZHJYDR-VIFPVBQESA-N 0 3 251.286 1.209 20 5 CDBDHN CCCCCN(CCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602786083 344599188 /nfs/dbraw/zinc/59/91/88/344599188.db2.gz LUSRAUOWMCBNBE-UHFFFAOYSA-N 0 3 284.360 1.584 20 5 CDBDHN COC[C@@H]1CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602916392 344648462 /nfs/dbraw/zinc/64/84/62/344648462.db2.gz SZKLNHHUPVBLGH-NSHDSACASA-N 0 3 268.317 1.211 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CSCCN1 ZINC000603420233 344799739 /nfs/dbraw/zinc/79/97/39/344799739.db2.gz QYEPGVIBAAGGKU-SECBINFHSA-N 0 3 285.373 1.237 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CSCCN1 ZINC000603418571 344807727 /nfs/dbraw/zinc/80/77/27/344807727.db2.gz GLAUERYIXSUOAI-VIFPVBQESA-N 0 3 285.373 1.237 20 5 CDBDHN Cn1cc(CNCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000041159591 345055203 /nfs/dbraw/zinc/05/52/03/345055203.db2.gz IQHIFVBUUXSWMB-UHFFFAOYSA-N 0 3 276.296 1.497 20 5 CDBDHN CC[C@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000344212423 362555511 /nfs/dbraw/zinc/55/55/11/362555511.db2.gz CNJPUGWQURYZNL-GFCCVEGCSA-N 0 3 252.318 1.913 20 5 CDBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC000120926986 345642326 /nfs/dbraw/zinc/64/23/26/345642326.db2.gz UHJAQFSKUDDLNI-ZOWXZIJZSA-N 0 3 293.367 1.965 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)[C@@H]1CCOC1 ZINC000539071485 282446176 /nfs/dbraw/zinc/44/61/76/282446176.db2.gz QDHPHBHFKBWRBN-ZOWXZIJZSA-N 0 3 294.351 1.951 20 5 CDBDHN Cc1ncc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)s1 ZINC000090540001 347750968 /nfs/dbraw/zinc/75/09/68/347750968.db2.gz SIDPFOVHMUKNDS-QMMMGPOBSA-N 0 3 281.341 1.907 20 5 CDBDHN Cc1cscc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094880996 347782538 /nfs/dbraw/zinc/78/25/38/347782538.db2.gz RRQXGHPINSJGBD-GFCCVEGCSA-N 0 3 296.352 1.312 20 5 CDBDHN Cc1nn(C)c(N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000090795245 348157548 /nfs/dbraw/zinc/15/75/48/348157548.db2.gz URSHFVKPLVZEJE-SCZZXKLOSA-N 0 3 267.333 1.531 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCN(C)C1 ZINC000091549311 180188829 /nfs/dbraw/zinc/18/88/29/180188829.db2.gz MIHKEHIWUWHUCK-SNVBAGLBSA-N 0 3 267.333 1.483 20 5 CDBDHN COc1cccc(C(=O)N[C@H]2CCNC[C@@H]2F)c1[N+](=O)[O-] ZINC001579260289 1172128698 /nfs/dbraw/zinc/12/86/98/1172128698.db2.gz ZAYRUBYTKHQDFS-UWVGGRQHSA-N 0 3 297.286 1.033 20 5 CDBDHN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CCCC2)C1 ZINC000364128327 362958677 /nfs/dbraw/zinc/95/86/77/362958677.db2.gz DPBFCFOCWLWWGK-LBPRGKRZSA-N 0 3 289.335 1.905 20 5 CDBDHN NC(=O)C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000175260344 366060968 /nfs/dbraw/zinc/06/09/68/366060968.db2.gz SAHGUOGNPRPDCV-GFCCVEGCSA-N 0 3 277.324 1.682 20 5 CDBDHN Cc1c(CN(CCO)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000289661318 363167291 /nfs/dbraw/zinc/16/72/91/363167291.db2.gz FIUQHCJKUAZBAA-JTQLQIEISA-N 0 3 268.313 1.078 20 5 CDBDHN CC(C)(NCCN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000292189417 198195655 /nfs/dbraw/zinc/19/56/55/198195655.db2.gz RHNMZNIYUOKWDK-UHFFFAOYSA-N 0 3 293.367 1.752 20 5 CDBDHN CCN(CCC(=O)OC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153822666 188105114 /nfs/dbraw/zinc/10/51/14/188105114.db2.gz WKWOZEQTPPRMQZ-ZDUSSCGKSA-N 0 3 296.323 1.513 20 5 CDBDHN CS[C@H](CO)[C@@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722297 363208026 /nfs/dbraw/zinc/20/80/26/363208026.db2.gz MNLNDMPUOWEBPY-IGJMFERPSA-N 0 3 299.396 1.940 20 5 CDBDHN COC1(C)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000271689417 191277933 /nfs/dbraw/zinc/27/79/33/191277933.db2.gz DYOUMTBIFMFNLH-UHFFFAOYSA-N 0 3 268.317 1.292 20 5 CDBDHN CCN(CCNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1 ZINC000181034603 357305683 /nfs/dbraw/zinc/30/56/83/357305683.db2.gz XRJIAVASYYTLKL-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN CC1(CO)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186915059 357705464 /nfs/dbraw/zinc/70/54/64/357705464.db2.gz GDJQGUKXZZTRDP-CQSZACIVSA-N 0 3 294.351 1.723 20 5 CDBDHN COC[C@@H](O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193063431 358261538 /nfs/dbraw/zinc/26/15/38/358261538.db2.gz CLJSSZJSBHJOET-ZFWWWQNUSA-N 0 3 294.351 1.959 20 5 CDBDHN CN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000593882427 358617628 /nfs/dbraw/zinc/61/76/28/358617628.db2.gz GQNLYQPTDTVFSI-UHFFFAOYSA-N 0 3 294.355 1.491 20 5 CDBDHN CC(C)C[C@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000567045842 358622477 /nfs/dbraw/zinc/62/24/77/358622477.db2.gz FVKHRIKLARLTFH-ZDUSSCGKSA-N 0 3 295.339 1.463 20 5 CDBDHN CC(C)n1cc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cn1 ZINC000541643638 358679687 /nfs/dbraw/zinc/67/96/87/358679687.db2.gz DCARQARWDQKGRJ-LLVKDONJSA-N 0 3 292.343 1.920 20 5 CDBDHN CN(C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000567751973 358730678 /nfs/dbraw/zinc/73/06/78/358730678.db2.gz UCKVGSYRCCPFMB-UHFFFAOYSA-N 0 3 264.329 1.842 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)[C@H]1CCOC1 ZINC000539071474 358954084 /nfs/dbraw/zinc/95/40/84/358954084.db2.gz QDHPHBHFKBWRBN-HUBLWGQQSA-N 0 3 294.351 1.951 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)n1 ZINC000451697708 359069953 /nfs/dbraw/zinc/06/99/53/359069953.db2.gz RIPOPFDWQVFERS-AGIUHOORSA-N 0 3 294.355 1.274 20 5 CDBDHN CO[C@H]1C[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451851866 359086391 /nfs/dbraw/zinc/08/63/91/359086391.db2.gz NDQCDUJTMGALSM-RYUDHWBXSA-N 0 3 294.355 1.681 20 5 CDBDHN COc1ccc(CN(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000051837930 359134119 /nfs/dbraw/zinc/13/41/19/359134119.db2.gz RAURWLNXSVDXMF-VIFPVBQESA-N 0 3 254.286 1.416 20 5 CDBDHN Cc1c(CN2CC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000051887244 359949544 /nfs/dbraw/zinc/94/95/44/359949544.db2.gz VKNBRPVZNMPJOH-NSHDSACASA-N 0 3 250.298 1.717 20 5 CDBDHN C[C@H](CC(N)=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135716467 359950942 /nfs/dbraw/zinc/95/09/42/359950942.db2.gz GVIOLWCUIJYEQK-RKDXNWHRSA-N 0 3 251.286 1.509 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCN1CCSCC1 ZINC000226247429 359951723 /nfs/dbraw/zinc/95/17/23/359951723.db2.gz FOXOCKNMEZGXGP-UHFFFAOYSA-N 0 3 281.381 1.733 20 5 CDBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CCn1cc([N+](=O)[O-])cn1 ZINC000367582956 363993549 /nfs/dbraw/zinc/99/35/49/363993549.db2.gz ACRPDPXJOZMENG-SZZQBSIJSA-N 0 3 292.339 1.147 20 5 CDBDHN CN1CCN(CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000271002279 366954916 /nfs/dbraw/zinc/95/49/16/366954916.db2.gz GJTUWNLNYZFHBK-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN COc1ccc(CN2CCNC[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414767241 241375687 /nfs/dbraw/zinc/37/56/87/241375687.db2.gz JHWFRUPIXRDOQS-AWEZNQCLSA-N 0 3 297.330 1.737 20 5 CDBDHN CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000275981150 193180164 /nfs/dbraw/zinc/18/01/64/193180164.db2.gz MSFQRMNBMPVDLL-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1 ZINC000037668446 369783291 /nfs/dbraw/zinc/78/32/91/369783291.db2.gz JRSYRVCTAQNRAB-GFCCVEGCSA-N 0 3 263.297 1.353 20 5 CDBDHN C[C@@H](NC(=O)[C@@H]1CCCCN1)c1cccc([N+](=O)[O-])c1 ZINC000037766490 370079540 /nfs/dbraw/zinc/07/95/40/370079540.db2.gz GUNQPFXWLKZFFD-MFKMUULPSA-N 0 3 277.324 1.914 20 5 CDBDHN COc1ccc(CN[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000095015600 370204654 /nfs/dbraw/zinc/20/46/54/370204654.db2.gz PZFLTZWBMWOVKJ-SNVBAGLBSA-N 0 3 252.270 1.482 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCO)C2CC2)c1 ZINC000269630398 373203734 /nfs/dbraw/zinc/20/37/34/373203734.db2.gz FHRSAMXNDRQGJF-CYBMUJFWSA-N 0 3 266.297 1.085 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCCN2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000368335970 373312626 /nfs/dbraw/zinc/31/26/26/373312626.db2.gz JXXRZCUAALQCPP-FICVDOATSA-N 0 3 292.335 1.534 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3C[C@@H](O)C3)C2)nc1 ZINC000420935032 374304971 /nfs/dbraw/zinc/30/49/71/374304971.db2.gz LEOJALYIZPAQCF-GMXVVIOVSA-N 0 3 292.339 1.247 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@](O)(C3CC3)C2)c1 ZINC000370082829 374377612 /nfs/dbraw/zinc/37/76/12/374377612.db2.gz OMWQQPMDHGKUQT-LSDHHAIUSA-N 0 3 292.335 1.475 20 5 CDBDHN C[C@H]1NCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000277543016 374793901 /nfs/dbraw/zinc/79/39/01/374793901.db2.gz XDFYYPHTWIGBMQ-LASXONHFSA-N 0 3 289.335 1.817 20 5 CDBDHN Cc1nn(CCCN2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000331229918 374910508 /nfs/dbraw/zinc/91/05/08/374910508.db2.gz GZWCXPRYZVNJLU-UHFFFAOYSA-N 0 3 295.387 1.516 20 5 CDBDHN CCN(CCOCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000282139090 375067555 /nfs/dbraw/zinc/06/75/55/375067555.db2.gz RVPLDIZLUSPPKI-UHFFFAOYSA-N 0 3 282.340 1.468 20 5 CDBDHN CCc1nn(C)c(NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000226098381 375268984 /nfs/dbraw/zinc/26/89/84/375268984.db2.gz KSOFABJPOQNCPB-SECBINFHSA-N 0 3 267.333 1.397 20 5 CDBDHN C[C@H](NC[C@H](O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119443 375552538 /nfs/dbraw/zinc/55/25/38/375552538.db2.gz JBWQGRZLTJGYPC-GWCFXTLKSA-N 0 3 267.329 1.168 20 5 CDBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354424541 375707802 /nfs/dbraw/zinc/70/78/02/375707802.db2.gz ZYOVKABOWYWKOQ-NSHDSACASA-N 0 3 294.355 1.917 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000354711080 375744166 /nfs/dbraw/zinc/74/41/66/375744166.db2.gz SXFZUCSKOXFJJH-LLVKDONJSA-N 0 3 294.355 1.387 20 5 CDBDHN CC(C)(C)N(CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000134015554 375803076 /nfs/dbraw/zinc/80/30/76/375803076.db2.gz UYBGYWPIKJUABT-UHFFFAOYSA-N 0 3 279.340 1.723 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133707602 375814404 /nfs/dbraw/zinc/81/44/04/375814404.db2.gz LXKWHTFSDPPYFD-UHFFFAOYSA-N 0 3 269.276 1.415 20 5 CDBDHN CN1CC[C@](O)(CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358138507 375952638 /nfs/dbraw/zinc/95/26/38/375952638.db2.gz MZOIXOKNNKYUJP-ZDUSSCGKSA-N 0 3 299.758 1.404 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CNCCO2)c1 ZINC000134272868 375946160 /nfs/dbraw/zinc/94/61/60/375946160.db2.gz CXLPJHOWBYYRDB-SNVBAGLBSA-N 0 3 251.286 1.304 20 5 CDBDHN C[C@H](NC[C@@H](O)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358048707 375948946 /nfs/dbraw/zinc/94/89/46/375948946.db2.gz PWRMEUWVYSHYHR-ZKYQVNSYSA-N 0 3 280.324 1.643 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCO)CCCO ZINC000347375080 376055896 /nfs/dbraw/zinc/05/58/96/376055896.db2.gz ZAVYXUXJTZNPDO-RAXLEYEMSA-N 0 3 294.351 1.675 20 5 CDBDHN COc1ccc(NC(=O)[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000543929846 377563433 /nfs/dbraw/zinc/56/34/33/377563433.db2.gz ABVFJEZFAOXDTC-SECBINFHSA-N 0 3 279.296 1.494 20 5 CDBDHN CCN1CCN([C@@H](C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000059389361 379654366 /nfs/dbraw/zinc/65/43/66/379654366.db2.gz QPAUONDCCRAUGS-LBPRGKRZSA-N 0 3 293.371 1.428 20 5 CDBDHN CC1(C)C[C@@H](NCCOCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279227463 194342909 /nfs/dbraw/zinc/34/29/09/194342909.db2.gz ZONRKAIUYMWZTQ-CQSZACIVSA-N 0 3 294.351 1.916 20 5 CDBDHN CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000281062329 195088412 /nfs/dbraw/zinc/08/84/12/195088412.db2.gz LMVLMCBCTCZAOU-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN CN(C)CC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000281091578 195100053 /nfs/dbraw/zinc/10/00/53/195100053.db2.gz PACRJYONDYBPMM-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@@H]2O)cc1 ZINC000037691591 285115713 /nfs/dbraw/zinc/11/57/13/285115713.db2.gz MDSTXVZXGKBJLO-STQMWFEESA-N 0 3 250.298 1.988 20 5 CDBDHN COCCOCCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000289132431 197242968 /nfs/dbraw/zinc/24/29/68/197242968.db2.gz XYAQGAJIBWPWEJ-UHFFFAOYSA-N 0 3 282.340 1.732 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCN1C ZINC000288145554 197013157 /nfs/dbraw/zinc/01/31/57/197013157.db2.gz NRLZVPXICYLJRA-SNVBAGLBSA-N 0 3 267.333 1.626 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC1CCN(C2CCC2)CC1 ZINC000450880119 390570814 /nfs/dbraw/zinc/57/08/14/390570814.db2.gz WJEZUWFGPPLJJP-UHFFFAOYSA-N 0 3 279.344 1.757 20 5 CDBDHN Cc1cnc(N2CC[C@H]3CCN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000272255902 390969413 /nfs/dbraw/zinc/96/94/13/390969413.db2.gz ZEWGPTDUEZJBEF-DGCLKSJQSA-N 0 3 276.340 1.829 20 5 CDBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(N)CC1 ZINC000237255474 131018668 /nfs/dbraw/zinc/01/86/68/131018668.db2.gz QPXAMENXLIPPBH-UHFFFAOYSA-N 0 3 283.715 1.698 20 5 CDBDHN C[C@@H]1NCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262759738 131259661 /nfs/dbraw/zinc/25/96/61/131259661.db2.gz IHIHULSKXXWFLS-RYUDHWBXSA-N 0 3 291.351 1.736 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000421701432 392942546 /nfs/dbraw/zinc/94/25/46/392942546.db2.gz HOMRAKPQOPPGCB-SNVBAGLBSA-N 0 3 283.353 1.823 20 5 CDBDHN CO[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000282062260 393170178 /nfs/dbraw/zinc/17/01/78/393170178.db2.gz BPHPCXUHTVOAAM-WCQYABFASA-N 0 3 295.339 1.256 20 5 CDBDHN CC(C)(C)NC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000134507392 139879838 /nfs/dbraw/zinc/87/98/38/139879838.db2.gz RTKLSUJJPFOCBV-UHFFFAOYSA-N 0 3 279.340 1.989 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237473827 140254026 /nfs/dbraw/zinc/25/40/26/140254026.db2.gz XILPLYGVSAZDQG-BDAKNGLRSA-N 0 3 278.312 1.121 20 5 CDBDHN COc1cccc(C(=O)N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000346136095 153066662 /nfs/dbraw/zinc/06/66/62/153066662.db2.gz DLKVGZJHDJYCSM-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H](C)O ZINC000352195966 155015130 /nfs/dbraw/zinc/01/51/30/155015130.db2.gz VPCHQXAVSXVCKZ-SNVBAGLBSA-N 0 3 268.313 1.806 20 5 CDBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O ZINC000352223628 155037948 /nfs/dbraw/zinc/03/79/48/155037948.db2.gz XGSDGCASRSZZRG-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000375356533 160372269 /nfs/dbraw/zinc/37/22/69/160372269.db2.gz RCHXHVCVZQMCKV-STQMWFEESA-N 0 3 280.328 1.435 20 5 CDBDHN O=C1C[C@]2(CN1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000353750718 156060632 /nfs/dbraw/zinc/06/06/32/156060632.db2.gz YOUTVMGSAKIYIH-HNNXBMFYSA-N 0 3 289.335 1.697 20 5 CDBDHN CCCN(C)CC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000359348025 158221684 /nfs/dbraw/zinc/22/16/84/158221684.db2.gz UCHOFYPPTPQNSB-UHFFFAOYSA-N 0 3 295.339 1.561 20 5 CDBDHN CC(C)NC(=O)[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676114 174373780 /nfs/dbraw/zinc/37/37/80/174373780.db2.gz MRSVCTZELGFVHJ-LLVKDONJSA-N 0 3 279.340 1.640 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000044538559 175200360 /nfs/dbraw/zinc/20/03/60/175200360.db2.gz MPEOVDHPSKQWIQ-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN C[C@@H](CC(N)=O)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582109 274207910 /nfs/dbraw/zinc/20/79/10/274207910.db2.gz XZECIVWUHIUWNP-TVQRCGJNSA-N 0 3 277.324 1.826 20 5 CDBDHN Cc1nc(N2C[C@@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000250954287 274842865 /nfs/dbraw/zinc/84/28/65/274842865.db2.gz QQOVLSYCCKAFNN-RKDXNWHRSA-N 0 3 250.302 1.485 20 5 CDBDHN O=[N+]([O-])c1c(N[C@@H]2CCN(C3CC3)C2)nc2sccn21 ZINC000044417286 275032729 /nfs/dbraw/zinc/03/27/29/275032729.db2.gz NFOAQBIWGYIEDS-MRVPVSSYSA-N 0 3 293.352 1.953 20 5 CDBDHN CCCN1CCC[C@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000330669106 276011916 /nfs/dbraw/zinc/01/19/16/276011916.db2.gz KQYCJEBPEZUXJB-JTQLQIEISA-N 0 3 295.343 1.231 20 5 CDBDHN CN1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278852115 277194842 /nfs/dbraw/zinc/19/48/42/277194842.db2.gz VRIUXRJRQXBHKC-SMDDNHRTSA-N 0 3 289.335 1.793 20 5 CDBDHN CS[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@H]1N(C)C ZINC000271117084 277524701 /nfs/dbraw/zinc/52/47/01/277524701.db2.gz RBAOQKSDXQFGSO-GHMZBOCLSA-N 0 3 296.396 1.780 20 5 CDBDHN C[C@H]1[C@@H](Nc2c([N+](=O)[O-])ncn2C)CCCN1C ZINC000343451222 280107204 /nfs/dbraw/zinc/10/72/04/280107204.db2.gz FTZQHSRFCMGIGU-IUCAKERBSA-N 0 3 253.306 1.223 20 5 CDBDHN O=C(CNC1CC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237877427 280191347 /nfs/dbraw/zinc/19/13/47/280191347.db2.gz OMEKMUHLUUFJJK-UHFFFAOYSA-N 0 3 275.268 1.162 20 5 CDBDHN CN(C)CCN(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255774539 289386535 /nfs/dbraw/zinc/38/65/35/289386535.db2.gz PTIRTDZLCWSIDX-HJWRWDBZSA-N 0 3 277.324 1.628 20 5 CDBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183693461 525307436 /nfs/dbraw/zinc/30/74/36/525307436.db2.gz ANIUWMHIOIQIBV-GWCFXTLKSA-N 0 3 293.323 1.690 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H](n3cncn3)C2)cc1 ZINC000368871983 527347868 /nfs/dbraw/zinc/34/78/68/527347868.db2.gz FERNUCASAGYQOX-AWEZNQCLSA-N 0 3 287.323 1.676 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1COCCO1 ZINC000338715469 527397403 /nfs/dbraw/zinc/39/74/03/527397403.db2.gz GOGNJMMCDBRIII-LQPUYASZSA-N 0 3 278.308 1.613 20 5 CDBDHN CC[C@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000727060812 574540093 /nfs/dbraw/zinc/54/00/93/574540093.db2.gz VVVPMINUQNNERJ-MRVPVSSYSA-N 0 3 264.285 1.332 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCCNc2ncccn2)c1 ZINC000751507857 574647860 /nfs/dbraw/zinc/64/78/60/574647860.db2.gz YDMLNSVNNUEKKR-UHFFFAOYSA-N 0 3 287.323 1.977 20 5 CDBDHN Cn1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749682189 576957623 /nfs/dbraw/zinc/95/76/23/576957623.db2.gz FHJGXQVGCNQZOG-ZDUSSCGKSA-N 0 3 276.296 1.152 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](CCO)C2)c1 ZINC000750050081 576973627 /nfs/dbraw/zinc/97/36/27/576973627.db2.gz ALANKIOREVJXIE-DOMZBBRYSA-N 0 3 294.351 1.723 20 5 CDBDHN CC(COC(=O)C[C@@H]1NC(=O)c2ccccc21)[N+](=O)[O-] ZINC000893045142 618092985 /nfs/dbraw/zinc/09/29/85/618092985.db2.gz PFDMRVLZOIDKBQ-KWQFWETISA-N 0 3 278.264 1.070 20 5 CDBDHN CC(COC(=O)C[C@@H]1CCC(C)(C)CO1)[N+](=O)[O-] ZINC000893047864 618099601 /nfs/dbraw/zinc/09/96/01/618099601.db2.gz RDHJEWBROHVMME-UWVGGRQHSA-N 0 3 259.302 1.790 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000895193008 619444800 /nfs/dbraw/zinc/44/48/00/619444800.db2.gz PRGFJNFAYJPKHV-NEPJUHHUSA-N 0 3 293.371 1.793 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000897890046 621194542 /nfs/dbraw/zinc/19/45/42/621194542.db2.gz FYVBSZIUROSMGR-UMVBOHGHSA-N 0 3 292.335 1.976 20 5 CDBDHN COc1ccc(C[C@@H](C)N2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335709 1162339054 /nfs/dbraw/zinc/33/90/54/1162339054.db2.gz QMDZUWJQSYVCOT-IAQYHMDHSA-N 0 3 294.351 1.991 20 5 CDBDHN COc1c(F)cc(N[C@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170570201 1162954694 /nfs/dbraw/zinc/95/46/94/1162954694.db2.gz UMXUWYCWOWNUKF-PRHODGIISA-N 0 3 299.302 1.531 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC(=O)C[C@@H](N)c1ccccc1 ZINC001579985219 1172315227 /nfs/dbraw/zinc/31/52/27/1172315227.db2.gz SCEMNBFEWHNXMV-SNVBAGLBSA-N 0 3 289.295 1.357 20 5 CDBDHN C[C@@H](C[NH+](C)C)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609374498 1164913842 /nfs/dbraw/zinc/91/38/42/1164913842.db2.gz CHGNKWZQWZDTEI-QMMMGPOBSA-N 0 3 291.315 1.137 20 5 CDBDHN CN(CCCF)CCn1cc([N+](=O)[O-])ccc1=O ZINC000887141351 754080732 /nfs/dbraw/zinc/08/07/32/754080732.db2.gz PIJYUXWCJBVXKZ-UHFFFAOYSA-N 0 3 257.265 1.048 20 5 CDBDHN CC1(C)[C@H](NCc2cccnc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000886229389 753948795 /nfs/dbraw/zinc/94/87/95/753948795.db2.gz OYFFBSODDKHUPF-QJPTWQEYSA-N 0 3 277.324 1.893 20 5 CDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)[C@H](C)O ZINC000929338080 754072335 /nfs/dbraw/zinc/07/23/35/754072335.db2.gz PJGBUHZMMNIKQK-SMDDNHRTSA-N 0 3 282.340 1.547 20 5 CDBDHN CN1CCC[C@H]1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000917783290 754934992 /nfs/dbraw/zinc/93/49/92/754934992.db2.gz ASQGUNFSDYTJGB-ZETCQYMHSA-N 0 3 269.330 1.153 20 5 CDBDHN C[C@@H](O)CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000847094838 754937914 /nfs/dbraw/zinc/93/79/14/754937914.db2.gz PGJRVGKOISUIDY-YGRLFVJLSA-N 0 3 280.324 1.473 20 5 CDBDHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813099980 755046099 /nfs/dbraw/zinc/04/60/99/755046099.db2.gz JEOKGLBCLPLQQB-MRVPVSSYSA-N 0 3 298.251 1.354 20 5 CDBDHN CC(COC(=O)c1c[nH]nc1-c1ccccc1)[N+](=O)[O-] ZINC000813112682 755327930 /nfs/dbraw/zinc/32/79/30/755327930.db2.gz SVKUGDIOMJWMNW-SECBINFHSA-N 0 3 275.264 1.899 20 5 CDBDHN C[C@H](CCO)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446032 755398640 /nfs/dbraw/zinc/39/86/40/755398640.db2.gz BKBPPJHDOQVROL-MFKMUULPSA-N 0 3 268.313 1.331 20 5 CDBDHN CCC[C@H](O)[C@@H](CO)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131242 755557787 /nfs/dbraw/zinc/55/77/87/755557787.db2.gz PWSTVIVVTULOGP-HIFRSBDPSA-N 0 3 296.367 1.823 20 5 CDBDHN CC(C)C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001019994238 756486114 /nfs/dbraw/zinc/48/61/14/756486114.db2.gz LHPOBHPKWPBUHH-JOCQHMNTSA-N 0 3 291.351 1.988 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000776598404 756551873 /nfs/dbraw/zinc/55/18/73/756551873.db2.gz MXVWSTMKXFCWFH-TYNCELHUSA-N 0 3 293.367 1.653 20 5 CDBDHN CC[C@]1(NCc2ccc(O)c(OC)c2[N+](=O)[O-])CCOC1 ZINC000893996669 756807806 /nfs/dbraw/zinc/80/78/06/756807806.db2.gz KLIFZCGSVNQSOW-AWEZNQCLSA-N 0 3 296.323 1.968 20 5 CDBDHN COC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000870376191 756858179 /nfs/dbraw/zinc/85/81/79/756858179.db2.gz CUAMAMKUVXEWMK-SECBINFHSA-N 0 3 281.264 1.604 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCN(C)C1 ZINC000850432096 756933625 /nfs/dbraw/zinc/93/36/25/756933625.db2.gz QZTWQFOYRXSVGM-MNOVXSKESA-N 0 3 279.340 1.958 20 5 CDBDHN Cc1nn(C)c2ncc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813106173 757188363 /nfs/dbraw/zinc/18/83/63/757188363.db2.gz ZXAWZHXBRGNPJP-ZETCQYMHSA-N 0 3 278.268 1.099 20 5 CDBDHN CN1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)CCC1=O ZINC001167246939 894955094 /nfs/dbraw/zinc/95/50/94/894955094.db2.gz RBPAUFAPZMJHON-NSHDSACASA-N 0 3 290.323 1.231 20 5 CDBDHN C[C@@]1(O)C[C@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001168343924 909129919 /nfs/dbraw/zinc/12/99/19/909129919.db2.gz HGAOLOOQADURSC-DEZZCRIOSA-N 0 3 277.324 1.771 20 5 CDBDHN CCOC(=O)c1c(CN)ncn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962330 927582518 /nfs/dbraw/zinc/58/25/18/927582518.db2.gz LKLBLVKTXWEBEK-UWVGGRQHSA-N 0 3 296.327 1.136 20 5 CDBDHN Cc1ccc(CN)nc1N(C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963218 927585051 /nfs/dbraw/zinc/58/50/51/927585051.db2.gz OTOOUYJEWAYDJY-DGCLKSJQSA-N 0 3 278.356 1.730 20 5 CDBDHN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035789 927644661 /nfs/dbraw/zinc/64/46/61/927644661.db2.gz CHTKHZXAXONUSS-RNJOBUHISA-N 0 3 286.372 1.951 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ccc3nsnc3c2[N+](=O)[O-])n1 ZINC001169233166 927845411 /nfs/dbraw/zinc/84/54/11/927845411.db2.gz NGXIHVMKNREKGT-ZCFIWIBFSA-N 0 3 290.308 1.805 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCNC3(CC3)C2)n1 ZINC001158936375 938680488 /nfs/dbraw/zinc/68/04/88/938680488.db2.gz FJCLAUDTLYTOAQ-UHFFFAOYSA-N 0 3 262.313 1.549 20 5 CDBDHN Cc1cc(CN)nn1-c1cc(F)cc([N+](=O)[O-])c1C ZINC001163980927 939369665 /nfs/dbraw/zinc/36/96/65/939369665.db2.gz AIEVQYFONAXXCU-UHFFFAOYSA-N 0 3 264.260 1.995 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743778 942216063 /nfs/dbraw/zinc/21/60/63/942216063.db2.gz XWSGDNNJXZNNBX-SECBINFHSA-N 0 3 279.320 1.945 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743778 942216067 /nfs/dbraw/zinc/21/60/67/942216067.db2.gz XWSGDNNJXZNNBX-SECBINFHSA-N 0 3 279.320 1.945 20 5 CDBDHN COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCCN(C)C1 ZINC001233983654 943707735 /nfs/dbraw/zinc/70/77/35/943707735.db2.gz WRHQQQRVLFZZEA-CYBMUJFWSA-N 0 3 294.351 1.987 20 5 CDBDHN CC(COC(=O)c1cc(C(F)F)n(C)n1)[N+](=O)[O-] ZINC001263502259 943875712 /nfs/dbraw/zinc/87/57/12/943875712.db2.gz NZZDKENCZZIOTI-YFKPBYRVSA-N 0 3 263.200 1.180 20 5 CDBDHN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254580278 947537865 /nfs/dbraw/zinc/53/78/65/947537865.db2.gz BXBZJDFVYMGRCF-CYBMUJFWSA-N 0 3 289.335 1.274 20 5 CDBDHN COC[C@H]1CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611069 947556387 /nfs/dbraw/zinc/55/63/87/947556387.db2.gz UDVBXZQPIGTDEA-ZIAGYGMSSA-N 0 3 262.309 1.783 20 5 CDBDHN CCN(C1CN(C)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612874 947557026 /nfs/dbraw/zinc/55/70/26/947557026.db2.gz ZYBQKFHNNQYFPP-AWEZNQCLSA-N 0 3 275.352 1.698 20 5 CDBDHN O=[N+]([O-])CCN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC001333159260 958116985 /nfs/dbraw/zinc/11/69/85/958116985.db2.gz PAKPTGFFRFSYMG-SNVBAGLBSA-N 0 3 265.317 1.138 20 5 CDBDHN O=[N+]([O-])CCN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC001333159260 958116996 /nfs/dbraw/zinc/11/69/96/958116996.db2.gz PAKPTGFFRFSYMG-SNVBAGLBSA-N 0 3 265.317 1.138 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1NCCN1CCC[C@@H](C)C1 ZINC001338681265 961947292 /nfs/dbraw/zinc/94/72/92/961947292.db2.gz MQKWXSCDYVAPDE-LLVKDONJSA-N 0 3 278.356 1.864 20 5 CDBDHN O=[N+]([O-])c1ccsc1NC[C@@H]1CCCN1CCCO ZINC000590707665 342585070 /nfs/dbraw/zinc/58/50/70/342585070.db2.gz RMGOWIMPYUIBFE-JTQLQIEISA-N 0 3 285.369 1.915 20 5 CDBDHN COc1ccc(CNCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000118906814 342127941 /nfs/dbraw/zinc/12/79/41/342127941.db2.gz GWGPCZXFRFDFHN-UHFFFAOYSA-N 0 3 266.297 1.466 20 5 CDBDHN C[C@H](NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1 ZINC000591580992 342638049 /nfs/dbraw/zinc/63/80/49/342638049.db2.gz IWGHIROBYPWIGC-DLOVCJGASA-N 0 3 267.304 1.945 20 5 CDBDHN Cc1c([C@H](C)NC[C@@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000600709265 342243452 /nfs/dbraw/zinc/24/34/52/342243452.db2.gz HXDLIQPNKMQEHS-NWDGAFQWSA-N 0 3 279.340 1.542 20 5 CDBDHN O=[N+]([O-])c1ccc(CO)c(-c2nc3c(s2)CNCC3)c1 ZINC000600784130 342249278 /nfs/dbraw/zinc/24/92/78/342249278.db2.gz YGTYIWOFSOIQLE-UHFFFAOYSA-N 0 3 291.332 1.856 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)CO ZINC000595020283 342995945 /nfs/dbraw/zinc/99/59/45/342995945.db2.gz YIBQWPJNMCWDEJ-UWVGGRQHSA-N 0 3 268.313 1.882 20 5 CDBDHN CN(CCc1cn[nH]n1)CCc1ccccc1[N+](=O)[O-] ZINC000595484422 343065912 /nfs/dbraw/zinc/06/59/12/343065912.db2.gz KODNUIYHWFYVKE-UHFFFAOYSA-N 0 3 275.312 1.430 20 5 CDBDHN CCN(C)C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000382503754 362120863 /nfs/dbraw/zinc/12/08/63/362120863.db2.gz LWPOMWHUMJUQHC-SNVBAGLBSA-N 0 3 288.731 1.940 20 5 CDBDHN CC(C)[NH2+][C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596098244 343235577 /nfs/dbraw/zinc/23/55/77/343235577.db2.gz JKDRVUQVUUVZNX-JTQLQIEISA-N 0 3 280.328 1.662 20 5 CDBDHN O=c1[n-]ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596135593 343239716 /nfs/dbraw/zinc/23/97/16/343239716.db2.gz XCOCSIRKAQYSJY-NSHDSACASA-N 0 3 292.339 1.618 20 5 CDBDHN O=c1[n-]ccc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000596060767 343223381 /nfs/dbraw/zinc/22/33/81/343223381.db2.gz GZULZHWFVXIOHY-UHFFFAOYSA-N 0 3 280.328 1.983 20 5 CDBDHN CCc1nn(C)c(N2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000094154258 342430011 /nfs/dbraw/zinc/43/00/11/342430011.db2.gz JFOPBQMHMXYPHO-NSHDSACASA-N 0 3 293.371 1.565 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NCCN1CC[C@@H](O)C1 ZINC000599176744 343968428 /nfs/dbraw/zinc/96/84/28/343968428.db2.gz WBYULXRLMWLTTM-GFCCVEGCSA-N 0 3 265.313 1.382 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN(C1CC1)C1CC1 ZINC000599599586 344099675 /nfs/dbraw/zinc/09/96/75/344099675.db2.gz MJHFIOLUNRALQO-UHFFFAOYSA-N 0 3 263.297 1.383 20 5 CDBDHN CCN[C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602438127 344416715 /nfs/dbraw/zinc/41/67/15/344416715.db2.gz BSHNBRQTLNPVNS-SECBINFHSA-N 0 3 251.286 1.209 20 5 CDBDHN CC(C)N(CCO)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000584596042 346495699 /nfs/dbraw/zinc/49/56/99/346495699.db2.gz JQXRZKAPJFWEAT-ZDUSSCGKSA-N 0 3 268.313 1.331 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1CCSC1)OCCO2 ZINC000611464392 346793194 /nfs/dbraw/zinc/79/31/94/346793194.db2.gz LFWYQCOASWWJIV-JTQLQIEISA-N 0 3 296.348 1.961 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000086468074 179299081 /nfs/dbraw/zinc/29/90/81/179299081.db2.gz NCFJHICIVGXZDX-XPMWWOIKSA-N 0 3 289.335 1.817 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000057159557 348831826 /nfs/dbraw/zinc/83/18/26/348831826.db2.gz SBMCFOHKXPAKCX-CYBMUJFWSA-N 0 3 291.351 1.738 20 5 CDBDHN CN(CCNC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000063117196 348919429 /nfs/dbraw/zinc/91/94/29/348919429.db2.gz DXMPATVMDRTOFM-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN CCC[C@H](O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112377625 365992586 /nfs/dbraw/zinc/99/25/86/365992586.db2.gz HTRBJDOONQZOAB-NSHDSACASA-N 0 3 268.313 1.854 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295173330 199386375 /nfs/dbraw/zinc/38/63/75/199386375.db2.gz GZWUXNBOMYRHBB-UHFFFAOYSA-N 0 3 282.340 1.924 20 5 CDBDHN CN(C)CCn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000158248454 188365776 /nfs/dbraw/zinc/36/57/76/188365776.db2.gz XGKHAUPTFXKNBY-UHFFFAOYSA-N 0 3 290.117 1.081 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H]2CCCS(=O)(=O)C2)c1 ZINC000290160540 363320673 /nfs/dbraw/zinc/32/06/73/363320673.db2.gz PZAPQTHFLXMPBD-GFCCVEGCSA-N 0 3 298.364 1.509 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](N)CC(F)F ZINC000336839474 356297036 /nfs/dbraw/zinc/29/70/36/356297036.db2.gz ONYICGPIIOCAKL-SECBINFHSA-N 0 3 287.266 1.536 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC2(CO)CCOCC2)cc1F ZINC000230733379 357225005 /nfs/dbraw/zinc/22/50/05/357225005.db2.gz LJMYSZCGXUBIRX-UHFFFAOYSA-N 0 3 284.287 1.365 20 5 CDBDHN CC(C)N(CCN(C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000181960528 357393985 /nfs/dbraw/zinc/39/39/85/357393985.db2.gz GHOKHVAKZWYJBB-UHFFFAOYSA-N 0 3 295.343 1.794 20 5 CDBDHN CN1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000192493981 358208863 /nfs/dbraw/zinc/20/88/63/358208863.db2.gz NHCKMWPNOUVQQO-ZJUUUORDSA-N 0 3 282.369 1.972 20 5 CDBDHN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000361663361 358410475 /nfs/dbraw/zinc/41/04/75/358410475.db2.gz UCJXVNAEDVYOTG-JQWIXIFHSA-N 0 3 250.298 1.655 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC(CO)CC2)cc1 ZINC000048347383 359203746 /nfs/dbraw/zinc/20/37/46/359203746.db2.gz UGNOEKIQBLEKCN-UHFFFAOYSA-N 0 3 264.325 1.842 20 5 CDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000054131584 359424738 /nfs/dbraw/zinc/42/47/38/359424738.db2.gz ZBVLGRTWCVIERG-UHFFFAOYSA-N 0 3 285.731 1.930 20 5 CDBDHN CSC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296736819 359443309 /nfs/dbraw/zinc/44/33/09/359443309.db2.gz ONAYOAIVWKPXQL-CABZTGNLSA-N 0 3 270.354 1.969 20 5 CDBDHN Cc1nc(N[C@H]2CN(C3CC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297332692 200152248 /nfs/dbraw/zinc/15/22/48/200152248.db2.gz AHUZFPIITIZRAM-KWQFWETISA-N 0 3 277.328 1.588 20 5 CDBDHN CCOC(=O)c1ccnc(NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000348158891 360533001 /nfs/dbraw/zinc/53/30/01/360533001.db2.gz PAVWNOSKTDSATL-SECBINFHSA-N 0 3 296.327 1.529 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCC[C@@H]2CO)c1 ZINC000178856835 189151283 /nfs/dbraw/zinc/15/12/83/189151283.db2.gz YAGSSYQADXVBBO-ZIAGYGMSSA-N 0 3 280.324 1.475 20 5 CDBDHN CCOCC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000580828806 363948121 /nfs/dbraw/zinc/94/81/21/363948121.db2.gz MABVRQIIEJXOMC-ZDUSSCGKSA-N 0 3 268.313 1.472 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CO)[C@@H]2CCCO2)c1 ZINC000447904370 364349584 /nfs/dbraw/zinc/34/95/84/364349584.db2.gz JWNHACYRUCMUPE-KGLIPLIRSA-N 0 3 296.323 1.103 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN(CCCCO)C2CC2)c1 ZINC000174865446 364585178 /nfs/dbraw/zinc/58/51/78/364585178.db2.gz PPXYCYWIZRLJKU-UHFFFAOYSA-N 0 3 268.317 1.028 20 5 CDBDHN Cc1nc(N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000268432071 364774377 /nfs/dbraw/zinc/77/43/77/364774377.db2.gz BKNFWYMQLNCDLQ-GFCCVEGCSA-N 0 3 274.324 1.749 20 5 CDBDHN Cc1ccc(CN[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000110911166 365343911 /nfs/dbraw/zinc/34/39/11/365343911.db2.gz VKFGOVWHRZLKNU-NSHDSACASA-N 0 3 263.297 1.271 20 5 CDBDHN C[C@@H]1C[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCN1C ZINC000090795050 368132497 /nfs/dbraw/zinc/13/24/97/368132497.db2.gz OGKMFMVZYHMRHL-MWLCHTKSSA-N 0 3 292.339 1.588 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330828117 203285802 /nfs/dbraw/zinc/28/58/02/203285802.db2.gz WSJKXMBKQOVBRA-JTQLQIEISA-N 0 3 280.328 1.337 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1 ZINC000368198844 371906892 /nfs/dbraw/zinc/90/68/92/371906892.db2.gz DEIDLRKHYUZVBB-UWVGGRQHSA-N 0 3 267.260 1.025 20 5 CDBDHN CO[C@H]1COCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000449452687 374810667 /nfs/dbraw/zinc/81/06/67/374810667.db2.gz GOESELMNBHZCOV-MNOVXSKESA-N 0 3 286.353 1.797 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)[C@H]2CCOC2)cs1 ZINC000280382617 374994398 /nfs/dbraw/zinc/99/43/98/374994398.db2.gz VVTYFQMVCPUXEO-WDEREUQCSA-N 0 3 286.353 1.391 20 5 CDBDHN C[S@](=O)C1(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000282222268 375074298 /nfs/dbraw/zinc/07/42/98/375074298.db2.gz DZQDFWZJGAQBOO-SFHVURJKSA-N 0 3 268.338 1.596 20 5 CDBDHN CC1(C)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000132006746 375394211 /nfs/dbraw/zinc/39/42/11/375394211.db2.gz JWGNKUHVLYSDAV-UHFFFAOYSA-N 0 3 279.340 1.879 20 5 CDBDHN CCC[C@@](C)(N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353084641 375573954 /nfs/dbraw/zinc/57/39/54/375573954.db2.gz GFRBVPWHYFLFDM-CQSZACIVSA-N 0 3 294.355 1.640 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CNCC3(O)CCC3)nc2c1 ZINC000564076409 375708239 /nfs/dbraw/zinc/70/82/39/375708239.db2.gz NEFJJOUQNKPZBW-UHFFFAOYSA-N 0 3 276.296 1.476 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000357407154 375904205 /nfs/dbraw/zinc/90/42/05/375904205.db2.gz DYAPPCJGXUHVGK-JOYOIKCWSA-N 0 3 295.314 1.946 20 5 CDBDHN CN(C)CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000356877612 375866140 /nfs/dbraw/zinc/86/61/40/375866140.db2.gz DWXXCNQFSYQDAC-UHFFFAOYSA-N 0 3 291.351 1.690 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134248990 375941299 /nfs/dbraw/zinc/94/12/99/375941299.db2.gz UQGBVORMUKGVCM-LLVKDONJSA-N 0 3 295.314 1.900 20 5 CDBDHN CC(C)[C@@H](CO)[C@@H](NCc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000451589764 251762362 /nfs/dbraw/zinc/76/23/62/251762362.db2.gz ASYPCQXCDCAFDT-YPMHNXCESA-N 0 3 298.387 1.707 20 5 CDBDHN COCC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000282128260 285134502 /nfs/dbraw/zinc/13/45/02/285134502.db2.gz GBUCBSAHFSSVTM-NSHDSACASA-N 0 3 254.286 1.082 20 5 CDBDHN Cc1nc(N[C@H](CO)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000289172596 197252978 /nfs/dbraw/zinc/25/29/78/197252978.db2.gz RBRSLIMYYRFDFH-LBPRGKRZSA-N 0 3 294.355 1.557 20 5 CDBDHN CO[C@@H](C)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000285879438 390186366 /nfs/dbraw/zinc/18/63/66/390186366.db2.gz YOKWPTXCYLXMPQ-NSHDSACASA-N 0 3 268.313 1.940 20 5 CDBDHN COc1ccc(CNC[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599007674 390320218 /nfs/dbraw/zinc/32/02/18/390320218.db2.gz SOJXISNZUZJJDR-PHIMTYICSA-N 0 3 266.297 1.464 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451627579 390636054 /nfs/dbraw/zinc/63/60/54/390636054.db2.gz NOPKAJQUGYHBHW-SMDDNHRTSA-N 0 3 291.351 1.739 20 5 CDBDHN Cc1cnc(N2CCN(C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361262716 390833776 /nfs/dbraw/zinc/83/37/76/390833776.db2.gz OQMYRKOFFVLPJV-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN COC[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000452037375 390981590 /nfs/dbraw/zinc/98/15/90/390981590.db2.gz LGEKYGVRVUZIRE-NSHDSACASA-N 0 3 268.317 1.292 20 5 CDBDHN C[C@@H]1[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCN1C ZINC000343480456 391634145 /nfs/dbraw/zinc/63/41/45/391634145.db2.gz RHZVHTGSZSBHMZ-MWLCHTKSSA-N 0 3 292.339 1.588 20 5 CDBDHN COc1ccc(CNCC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000184369833 391975645 /nfs/dbraw/zinc/97/56/45/391975645.db2.gz PXEYGZGRUAMPIR-UHFFFAOYSA-N 0 3 280.324 1.856 20 5 CDBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CNCCC1(F)F ZINC000591674142 391981194 /nfs/dbraw/zinc/98/11/94/391981194.db2.gz ICFJBOLLTFZLEK-SNVBAGLBSA-N 0 3 299.277 1.456 20 5 CDBDHN CCN1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000459459013 392440411 /nfs/dbraw/zinc/44/04/11/392440411.db2.gz HRJVHYQBNIVBJK-VXGBXAGGSA-N 0 3 281.360 1.206 20 5 CDBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000419007644 392883848 /nfs/dbraw/zinc/88/38/48/392883848.db2.gz JYSVNMMYSXLXOE-UHFFFAOYSA-N 0 3 268.292 1.822 20 5 CDBDHN Cc1nc(NC[C@@H]2NCCc3ccccc32)ncc1[N+](=O)[O-] ZINC000420259130 392916407 /nfs/dbraw/zinc/91/64/07/392916407.db2.gz YKTOEFURCVXHQC-ZDUSSCGKSA-N 0 3 299.334 1.414 20 5 CDBDHN Cc1nc(NCCCN2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000268500267 132018255 /nfs/dbraw/zinc/01/82/55/132018255.db2.gz PZWKRKOHRTXLPN-UHFFFAOYSA-N 0 3 294.355 1.557 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000421708125 392942898 /nfs/dbraw/zinc/94/28/98/392942898.db2.gz ZFFRBUQSIKPXMB-AWEZNQCLSA-N 0 3 291.351 1.690 20 5 CDBDHN NC(=O)[C@@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000449744064 393139287 /nfs/dbraw/zinc/13/92/87/393139287.db2.gz DMWMAHDVXLMXHP-KOLCDFICSA-N 0 3 263.297 1.338 20 5 CDBDHN CN(C)CC1(NC(=O)c2cccc([N+](=O)[O-])c2N)CCC1 ZINC000281855533 393159864 /nfs/dbraw/zinc/15/98/64/393159864.db2.gz YKAKIGQHLKXJPQ-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494255604 393229246 /nfs/dbraw/zinc/22/92/46/393229246.db2.gz BVTFMFGHLLNKJR-LKFCYVNXSA-N 0 3 293.323 1.351 20 5 CDBDHN CCCCN(C)CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000352378262 155145543 /nfs/dbraw/zinc/14/55/43/155145543.db2.gz MGCBXLQQJKYCOL-UHFFFAOYSA-N 0 3 282.344 1.395 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000334041753 149305734 /nfs/dbraw/zinc/30/57/34/149305734.db2.gz BKGDHGIAKASCEM-WDEREUQCSA-N 0 3 277.324 1.807 20 5 CDBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCCN1C ZINC000343449085 152181291 /nfs/dbraw/zinc/18/12/91/152181291.db2.gz OBJMMMQSGGAETI-VHSXEESVSA-N 0 3 280.328 1.146 20 5 CDBDHN Cc1nn(C)c(N[C@@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000343596376 152238260 /nfs/dbraw/zinc/23/82/60/152238260.db2.gz HCACDTPPAHQYGB-VHSXEESVSA-N 0 3 267.333 1.531 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344041575 152399616 /nfs/dbraw/zinc/39/96/16/152399616.db2.gz WKQZWWAAEGXKHH-SGMGOOAPSA-N 0 3 292.335 1.676 20 5 CDBDHN COc1ccc(C(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000346253910 153114153 /nfs/dbraw/zinc/11/41/53/153114153.db2.gz HDBYIMIIUMALRD-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCN2CCC2)c(F)c1 ZINC000350312016 154362396 /nfs/dbraw/zinc/36/23/96/154362396.db2.gz LLJCYDZJDURSGH-UHFFFAOYSA-N 0 3 253.277 1.529 20 5 CDBDHN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285059706 196187917 /nfs/dbraw/zinc/18/79/17/196187917.db2.gz ITJITVSCMUUVEI-JBLDHEPKSA-N 0 3 277.324 1.765 20 5 CDBDHN CNc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000517932938 260320462 /nfs/dbraw/zinc/32/04/62/260320462.db2.gz XWAWUUZDLSYBHB-UWVGGRQHSA-N 0 3 292.339 1.459 20 5 CDBDHN CCN1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000190316543 270282908 /nfs/dbraw/zinc/28/29/08/270282908.db2.gz OFTKOECNBSTDAG-JTQLQIEISA-N 0 3 299.400 1.489 20 5 CDBDHN CCc1nn(C)c(NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000397915746 270352934 /nfs/dbraw/zinc/35/29/34/270352934.db2.gz IGNLZBAWLUZLMT-UHFFFAOYSA-N 0 3 267.333 1.397 20 5 CDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000270411796 274182567 /nfs/dbraw/zinc/18/25/67/274182567.db2.gz XPJHRHLQVXKTGG-GHMZBOCLSA-N 0 3 282.369 1.472 20 5 CDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000272628263 277144160 /nfs/dbraw/zinc/14/41/60/277144160.db2.gz MVDAFGKHMWGCSU-BXUZGUMPSA-N 0 3 289.335 1.761 20 5 CDBDHN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272654791 278331437 /nfs/dbraw/zinc/33/14/37/278331437.db2.gz BARRVQWBJMNHRY-LLVKDONJSA-N 0 3 289.335 1.975 20 5 CDBDHN C[C@@H]1CC[C@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552250 279279280 /nfs/dbraw/zinc/27/92/80/279279280.db2.gz PEMANKMWDIZWRS-PHIMTYICSA-N 0 3 265.313 1.629 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOCCO ZINC000159137141 289326847 /nfs/dbraw/zinc/32/68/47/289326847.db2.gz VMJFNHDBXGVZPA-LLVKDONJSA-N 0 3 268.313 1.563 20 5 CDBDHN CO[C@H](CN)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000574210040 294965485 /nfs/dbraw/zinc/96/54/85/294965485.db2.gz LNFDMGLJFBOPOG-CYBMUJFWSA-N 0 3 293.323 1.060 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000574877393 295067961 /nfs/dbraw/zinc/06/79/61/295067961.db2.gz IRSFCWBHZVKWJT-SECBINFHSA-N 0 3 290.323 1.015 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180765495 323218398 /nfs/dbraw/zinc/21/83/98/323218398.db2.gz XZFUPNOHXYHNFO-SNVBAGLBSA-N 0 3 292.339 1.249 20 5 CDBDHN CC(C)[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050708754 519793399 /nfs/dbraw/zinc/79/33/99/519793399.db2.gz GAULFXHUPLROBM-CYBMUJFWSA-N 0 3 294.355 1.493 20 5 CDBDHN COc1ccc(CNC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000019998311 524071964 /nfs/dbraw/zinc/07/19/64/524071964.db2.gz HMZMQNHLXSDFNG-LLVKDONJSA-N 0 3 266.297 1.872 20 5 CDBDHN Cc1c(CN[C@@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000049504669 525727893 /nfs/dbraw/zinc/72/78/93/525727893.db2.gz VYTLFBQEBXGZGI-LBPRGKRZSA-N 0 3 293.367 1.714 20 5 CDBDHN Cn1cc(CNCCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067697297 527217093 /nfs/dbraw/zinc/21/70/93/527217093.db2.gz MCNSFLYVFOMFNB-UHFFFAOYSA-N 0 3 290.323 1.467 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2ccccn2)C2CC2)c1 ZINC000932377039 617233287 /nfs/dbraw/zinc/23/32/87/617233287.db2.gz GUBTZJHPJFAVBQ-CQSZACIVSA-N 0 3 287.323 1.927 20 5 CDBDHN CNc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813103669 617342842 /nfs/dbraw/zinc/34/28/42/617342842.db2.gz DPOISDOZWMWAFV-ZETCQYMHSA-N 0 3 283.240 1.459 20 5 CDBDHN C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)CN1C1CC1 ZINC000892875634 617853178 /nfs/dbraw/zinc/85/31/78/617853178.db2.gz HHEPYFUTWGSHJL-DTWKUNHWSA-N 0 3 265.317 1.365 20 5 CDBDHN CC(C)Cn1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000893047833 618098922 /nfs/dbraw/zinc/09/89/22/618098922.db2.gz PYXQHSVQOBCBKT-SECBINFHSA-N 0 3 255.274 1.361 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NCCN1CCC(C)(C)C1 ZINC000897248654 620442141 /nfs/dbraw/zinc/44/21/41/620442141.db2.gz WAJOAOSEFLCUCL-UHFFFAOYSA-N 0 3 267.333 1.472 20 5 CDBDHN CCOC(=O)N[C@H](CNCC[N+](=O)[O-])CC(C)C ZINC000899869616 622495188 /nfs/dbraw/zinc/49/51/88/622495188.db2.gz HOZHVGVCQTXBBN-JTQLQIEISA-N 0 3 261.322 1.014 20 5 CDBDHN NOCCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000904457361 626301913 /nfs/dbraw/zinc/30/19/13/626301913.db2.gz QATFEUYLBKTSIV-UHFFFAOYSA-N 0 3 259.693 1.618 20 5 CDBDHN COc1ccc(C(C)(C)CNCC[N+](=O)[O-])cc1OC ZINC000905094102 626635718 /nfs/dbraw/zinc/63/57/18/626635718.db2.gz CQNGJLRHYKRAHX-UHFFFAOYSA-N 0 3 282.340 1.848 20 5 CDBDHN CN(CCNCC[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000905147633 626659057 /nfs/dbraw/zinc/65/90/57/626659057.db2.gz LIOCZBGAPHUWIP-UHFFFAOYSA-N 0 3 255.293 1.124 20 5 CDBDHN COc1ccc(CCNCC[N+](=O)[O-])c(Cl)c1OC ZINC000905268154 626707057 /nfs/dbraw/zinc/70/70/57/626707057.db2.gz OGBKAJIGTFHZSL-UHFFFAOYSA-N 0 3 288.731 1.766 20 5 CDBDHN CCC[C@H](NCC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905360385 626769921 /nfs/dbraw/zinc/76/99/21/626769921.db2.gz MZWMNPDKYJHBMM-STQMWFEESA-N 0 3 252.314 1.755 20 5 CDBDHN COc1cc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)cc1F ZINC001170567738 1162949905 /nfs/dbraw/zinc/94/99/05/1162949905.db2.gz LPNDZSIWTWLADF-ISVAXAHUSA-N 0 3 299.302 1.531 20 5 CDBDHN Cc1nc(Cl)nc(N2CCNC3(CC3)C2)c1[N+](=O)[O-] ZINC001158933659 1163836453 /nfs/dbraw/zinc/83/64/53/1163836453.db2.gz RXUKRRXWCHEKRQ-UHFFFAOYSA-N 0 3 283.719 1.289 20 5 CDBDHN O=C(Oc1cc([N+](=O)[O-])ccc1Cl)OC1CNC1 ZINC001580804510 1172545727 /nfs/dbraw/zinc/54/57/27/1172545727.db2.gz OXFCKJZGZGCNMK-UHFFFAOYSA-N 0 3 272.644 1.735 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)CC(F)F)c1 ZINC000843112522 758866204 /nfs/dbraw/zinc/86/62/04/758866204.db2.gz YVGXNIAXHPAAKF-KOLCDFICSA-N 0 3 290.266 1.234 20 5 CDBDHN CC(COC(=O)c1ccnn1CC1CCC1)[N+](=O)[O-] ZINC000870376278 758972418 /nfs/dbraw/zinc/97/24/18/758972418.db2.gz FRCYHVCLFFVNLM-SECBINFHSA-N 0 3 267.285 1.505 20 5 CDBDHN CC(COC(=O)c1ncn(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813102511 768847830 /nfs/dbraw/zinc/84/78/30/768847830.db2.gz GXDKDWKIVXXRCI-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN CCS(=O)(=O)CCNCCc1cccc([N+](=O)[O-])c1 ZINC000819189316 769362539 /nfs/dbraw/zinc/36/25/39/769362539.db2.gz AFUQBWYANLZJHZ-UHFFFAOYSA-N 0 3 286.353 1.162 20 5 CDBDHN CC(COC(=O)c1cc2ccccc2oc1=O)[N+](=O)[O-] ZINC000813107682 769696637 /nfs/dbraw/zinc/69/66/37/769696637.db2.gz QLCIFFCNACSUQC-MRVPVSSYSA-N 0 3 277.232 1.615 20 5 CDBDHN C[C@@H](N)c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000124342885 770151931 /nfs/dbraw/zinc/15/19/31/770151931.db2.gz FABYDFNDAXLIII-SSDOTTSWSA-N 0 3 281.703 1.908 20 5 CDBDHN CC[C@H](N)c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000229936378 770289210 /nfs/dbraw/zinc/28/92/10/770289210.db2.gz STAGZMLYTBUCSW-JTQLQIEISA-N 0 3 279.275 1.784 20 5 CDBDHN CC(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N+](=O)[O-] ZINC000813113391 771379012 /nfs/dbraw/zinc/37/90/12/771379012.db2.gz CYMJIOZKKJYPQS-SSDOTTSWSA-N 0 3 293.235 1.898 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H](CO)C[C@@H]1CCCO1 ZINC000886229078 771381351 /nfs/dbraw/zinc/38/13/51/771381351.db2.gz KUSFWESHZZESKQ-STQMWFEESA-N 0 3 280.324 1.614 20 5 CDBDHN COCC(COC)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000930440929 771414484 /nfs/dbraw/zinc/41/44/84/771414484.db2.gz PJWLDXVXUDGFAM-UHFFFAOYSA-N 0 3 282.340 1.731 20 5 CDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCN1CCCC1 ZINC000843755532 772335414 /nfs/dbraw/zinc/33/54/14/772335414.db2.gz MJNOBIMHIQLIIT-UHFFFAOYSA-N 0 3 295.314 1.868 20 5 CDBDHN CC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217684 772437870 /nfs/dbraw/zinc/43/78/70/772437870.db2.gz GWBRYPGULMRUOM-JTQLQIEISA-N 0 3 271.704 1.602 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](CCO)C1CC1 ZINC000851933905 772596764 /nfs/dbraw/zinc/59/67/64/772596764.db2.gz WHNZDSNOBKPSLR-GFCCVEGCSA-N 0 3 268.288 1.985 20 5 CDBDHN CC(COC(=O)[C@H](C)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113197 773133222 /nfs/dbraw/zinc/13/32/22/773133222.db2.gz XUCGPQRRYAJZDS-UWVGGRQHSA-N 0 3 280.280 1.013 20 5 CDBDHN CC(COC(=O)c1cc(C(F)(F)F)nn1C)[N+](=O)[O-] ZINC000835453859 773602325 /nfs/dbraw/zinc/60/23/25/773602325.db2.gz HMBYAHXAEUYYRN-RXMQYKEDSA-N 0 3 281.190 1.261 20 5 CDBDHN COc1ccc(C(=O)CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168955824 927577017 /nfs/dbraw/zinc/57/70/17/927577017.db2.gz CORJMOIMJZEZKI-AAEUAGOBSA-N 0 3 292.335 1.913 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ccn(CCF)n2)C1 ZINC001168995832 927602666 /nfs/dbraw/zinc/60/26/66/927602666.db2.gz TYQZGFLUMJKLSS-WDEREUQCSA-N 0 3 270.308 1.388 20 5 CDBDHN Cc1cnc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)s1 ZINC001168988445 927626998 /nfs/dbraw/zinc/62/69/98/927626998.db2.gz SKMIYADTKHCZEM-ZJUUUORDSA-N 0 3 255.343 1.987 20 5 CDBDHN CC(=O)Nc1ccc(-n2ccc([C@@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169233943 927847811 /nfs/dbraw/zinc/84/78/11/927847811.db2.gz UNBNMFVSQVCLFF-MRVPVSSYSA-N 0 3 289.295 1.759 20 5 CDBDHN CCOc1nc(-n2cnc(CN)c2)ccc1[N+](=O)[O-] ZINC001154909258 937603412 /nfs/dbraw/zinc/60/34/12/937603412.db2.gz NGPVFQLOLCSCID-UHFFFAOYSA-N 0 3 263.257 1.033 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(N2C[C@H]3CCCN(C)[C@@H]3C2)n1 ZINC001157264549 938471827 /nfs/dbraw/zinc/47/18/27/938471827.db2.gz FGDGLYUIUAPPHR-ZYHUDNBSSA-N 0 3 277.328 1.224 20 5 CDBDHN NCc1cn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)cn1 ZINC001162297359 938973140 /nfs/dbraw/zinc/97/31/40/938973140.db2.gz ZQRKESBPZUNBFL-UHFFFAOYSA-N 0 3 288.242 1.322 20 5 CDBDHN Cc1cc([N+](=O)[O-])cc(-n2nccc2CN)c1F ZINC001162597560 939098417 /nfs/dbraw/zinc/09/84/17/939098417.db2.gz JYLJFLMZSUVQDW-UHFFFAOYSA-N 0 3 250.233 1.687 20 5 CDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(-n2cnc3c2CNCC3)n1 ZINC001164313547 939452572 /nfs/dbraw/zinc/45/25/72/939452572.db2.gz KUFZQPZJXZIXOH-UHFFFAOYSA-N 0 3 293.714 1.783 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CO[C@@H]1CCN(C)C1 ZINC001223103624 941658207 /nfs/dbraw/zinc/65/82/07/941658207.db2.gz DTLPETGAISUJKQ-GFCCVEGCSA-N 0 3 266.297 1.824 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(O[C@H]2CCN(C(C)C)C2)n1 ZINC001234879424 943965278 /nfs/dbraw/zinc/96/52/78/943965278.db2.gz PIMYZWSITATAHE-JTQLQIEISA-N 0 3 281.312 1.860 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](O)C1 ZINC001254550327 947521043 /nfs/dbraw/zinc/52/10/43/947521043.db2.gz HRFWQIPIVFJXPP-YPMHNXCESA-N 0 3 264.325 1.983 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCN[C@H](c2ccccc2)C1 ZINC001307214709 956378105 /nfs/dbraw/zinc/37/81/05/956378105.db2.gz QEIVKHYAQOURSR-LBPRGKRZSA-N 0 3 287.323 1.479 20 5 CDBDHN Cc1ccc(CN[C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601139731 342479613 /nfs/dbraw/zinc/47/96/13/342479613.db2.gz IRUZDBZVKGIHDJ-TXEJJXNPSA-N 0 3 250.298 1.764 20 5 CDBDHN CN(C)C[C@H](CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000589101445 342496861 /nfs/dbraw/zinc/49/68/61/342496861.db2.gz DUEFJDMMPNYYDI-SECBINFHSA-N 0 3 273.720 1.583 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000592543953 342708774 /nfs/dbraw/zinc/70/87/74/342708774.db2.gz ZSTNKZYHHBOTMU-CQSZACIVSA-N 0 3 291.351 1.594 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](CO)CCF ZINC000593690187 342823490 /nfs/dbraw/zinc/82/34/90/342823490.db2.gz UQAMFJYQANBLIZ-FHMRSRPSSA-N 0 3 268.288 1.918 20 5 CDBDHN CN(C)CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000080387763 342210854 /nfs/dbraw/zinc/21/08/54/342210854.db2.gz VCGHMIDWPVHAPY-UHFFFAOYSA-N 0 3 265.313 1.157 20 5 CDBDHN CC[C@H](NC[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600710978 342243668 /nfs/dbraw/zinc/24/36/68/342243668.db2.gz RCDDCEGLUMLYGK-OCCSQVGLSA-N 0 3 279.340 1.624 20 5 CDBDHN COC[C@@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594503631 342914353 /nfs/dbraw/zinc/91/43/53/342914353.db2.gz FQQRGQKPNJVGIN-SKDRFNHKSA-N 0 3 266.297 1.179 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](CO)CCF ZINC000594508779 342914850 /nfs/dbraw/zinc/91/48/50/342914850.db2.gz WBASIGKCAROZGE-JOYOIKCWSA-N 0 3 268.288 1.892 20 5 CDBDHN CN(C)CCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594640519 342939314 /nfs/dbraw/zinc/93/93/14/342939314.db2.gz MILVJVGCFNPDGX-UHFFFAOYSA-N 0 3 261.285 1.280 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000108344756 349736351 /nfs/dbraw/zinc/73/63/51/349736351.db2.gz VUHPJYLEGLNFEF-GFCCVEGCSA-N 0 3 291.351 1.975 20 5 CDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC/C=C\CO ZINC000595072264 343002674 /nfs/dbraw/zinc/00/26/74/343002674.db2.gz RCUFDQZRYYJFFJ-QUCGXOGASA-N 0 3 293.323 1.450 20 5 CDBDHN Cc1cc(N[C@H](CO)CN(C)C)c(F)cc1[N+](=O)[O-] ZINC000596245049 343285643 /nfs/dbraw/zinc/28/56/43/343285643.db2.gz WBVMZNCFQFZIOP-VIFPVBQESA-N 0 3 271.292 1.377 20 5 CDBDHN CNC(=O)[C@H](C)N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000291785150 529917583 /nfs/dbraw/zinc/91/75/83/529917583.db2.gz ARFPVKCKBWNUPC-MNOVXSKESA-N 0 3 279.340 1.640 20 5 CDBDHN COc1cc(CNC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000599008188 343938834 /nfs/dbraw/zinc/93/88/34/343938834.db2.gz VURMQJGIIIZAHO-JGZJWPJOSA-N 0 3 296.323 1.473 20 5 CDBDHN Cc1ccc(CNCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599020152 343940353 /nfs/dbraw/zinc/94/03/53/343940353.db2.gz YWHUHIIZDFRRLP-ZDUSSCGKSA-N 0 3 279.340 1.059 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1C(C)(C)O ZINC000602796017 344586569 /nfs/dbraw/zinc/58/65/69/344586569.db2.gz JFAZRNFABIJFIQ-NSHDSACASA-N 0 3 282.344 1.335 20 5 CDBDHN CC[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CCCO1 ZINC000602825358 344611730 /nfs/dbraw/zinc/61/17/30/344611730.db2.gz KQOWFEKRZPRJGI-LBPRGKRZSA-N 0 3 282.344 1.601 20 5 CDBDHN CC[C@]1(CO)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602810946 344602968 /nfs/dbraw/zinc/60/29/68/344602968.db2.gz JPSYWEDCFLACAQ-AWEZNQCLSA-N 0 3 296.371 1.584 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)[C@](C)(CO)C1 ZINC000602902063 344654878 /nfs/dbraw/zinc/65/48/78/344654878.db2.gz FOUGIFVOEVPVCN-GWCFXTLKSA-N 0 3 282.344 1.050 20 5 CDBDHN COC[C@H]1CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602916390 344648584 /nfs/dbraw/zinc/64/85/84/344648584.db2.gz SZKLNHHUPVBLGH-LLVKDONJSA-N 0 3 268.317 1.211 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC000602997558 344683965 /nfs/dbraw/zinc/68/39/65/344683965.db2.gz MONMQLOKTNVKBP-MJBXVCDLSA-N 0 3 294.355 1.417 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CSCCN2)cn1 ZINC000603419669 344799500 /nfs/dbraw/zinc/79/95/00/344799500.db2.gz PDPQBPLXALUZKP-VIFPVBQESA-N 0 3 254.315 1.107 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CSCCN2)c(F)c1 ZINC000603421015 344799828 /nfs/dbraw/zinc/79/98/28/344799828.db2.gz XEFGGCUXFNSYLV-SSDOTTSWSA-N 0 3 272.305 1.246 20 5 CDBDHN COc1cc([N+](=O)[O-])cn(CCN2CCCCC2)c1=O ZINC000603361746 344783994 /nfs/dbraw/zinc/78/39/94/344783994.db2.gz JXQIRJBYIHGJDY-UHFFFAOYSA-N 0 3 281.312 1.251 20 5 CDBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000344265802 362551934 /nfs/dbraw/zinc/55/19/34/362551934.db2.gz YDTWFNNPFLPCEY-MRVPVSSYSA-N 0 3 269.276 1.414 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000161301405 362623896 /nfs/dbraw/zinc/62/38/96/362623896.db2.gz SJNMUZHZAWYHFO-GZMMTYOYSA-N 0 3 251.286 1.907 20 5 CDBDHN CC(C)[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000609965687 346051232 /nfs/dbraw/zinc/05/12/32/346051232.db2.gz PTJJIKWZQMOSJW-LBPRGKRZSA-N 0 3 264.329 1.766 20 5 CDBDHN COc1ccc(CN[C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611108191 346609762 /nfs/dbraw/zinc/60/97/62/346609762.db2.gz BYRJKEQUYKYOEB-GFCCVEGCSA-N 0 3 280.324 1.854 20 5 CDBDHN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086468338 179299573 /nfs/dbraw/zinc/29/95/73/179299573.db2.gz PSMLWQAEGOEAGW-MNOVXSKESA-N 0 3 277.324 1.346 20 5 CDBDHN CC(C)N(C)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068519944 349069784 /nfs/dbraw/zinc/06/97/84/349069784.db2.gz BDJCHVIVJMYLFV-UHFFFAOYSA-N 0 3 295.339 1.430 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCOCC3(CCCC3)C2)n1 ZINC000364327730 362973872 /nfs/dbraw/zinc/97/38/72/362973872.db2.gz KRSCHANOEFRKBQ-UHFFFAOYSA-N 0 3 294.355 1.684 20 5 CDBDHN COCC(C)(C)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000292086622 198158650 /nfs/dbraw/zinc/15/86/50/198158650.db2.gz GHKWZTWBOAWYGC-ZDUSSCGKSA-N 0 3 282.340 1.985 20 5 CDBDHN CCN(CCC(=O)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153822776 188105943 /nfs/dbraw/zinc/10/59/43/188105943.db2.gz WKWOZEQTPPRMQZ-CYBMUJFWSA-N 0 3 296.323 1.513 20 5 CDBDHN CN(CCc1nccs1)CCn1cc([N+](=O)[O-])cn1 ZINC000157812004 188340419 /nfs/dbraw/zinc/34/04/19/188340419.db2.gz PWXHUZOIJZTPFJ-UHFFFAOYSA-N 0 3 281.341 1.422 20 5 CDBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000279800172 363303014 /nfs/dbraw/zinc/30/30/14/363303014.db2.gz PATWKVBZNMUAAR-CYBMUJFWSA-N 0 3 264.325 1.840 20 5 CDBDHN COc1ccc(CNCCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000279839111 363320707 /nfs/dbraw/zinc/32/07/07/363320707.db2.gz QVXPIQIPNXUBIS-UHFFFAOYSA-N 0 3 291.351 1.955 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)[C@@H]2CCCOC2)c1 ZINC000411988213 363396175 /nfs/dbraw/zinc/39/61/75/363396175.db2.gz GQNAZLBJJHRUQI-TZMCWYRMSA-N 0 3 280.324 1.472 20 5 CDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1N(C)C ZINC000271775280 191318196 /nfs/dbraw/zinc/31/81/96/191318196.db2.gz JEELEONGFKZUHK-WCBMZHEXSA-N 0 3 299.352 1.305 20 5 CDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1N(C)C ZINC000271839968 191360804 /nfs/dbraw/zinc/36/08/04/191360804.db2.gz UEHFZXPPRWDUGH-ZJUUUORDSA-N 0 3 298.368 1.041 20 5 CDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000273591647 192220338 /nfs/dbraw/zinc/22/03/38/192220338.db2.gz HHTLSPWOHYSATH-GHMZBOCLSA-N 0 3 279.344 1.917 20 5 CDBDHN CC1(C)CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000175429406 356561238 /nfs/dbraw/zinc/56/12/38/356561238.db2.gz LESBVIGJLFMSIP-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)[C@@H]2CCCO2)cc1 ZINC000447913693 356928275 /nfs/dbraw/zinc/92/82/75/356928275.db2.gz JMHQOOHQVQHNQV-STQMWFEESA-N 0 3 266.297 1.224 20 5 CDBDHN CC[C@@](C)(O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284066711 357637095 /nfs/dbraw/zinc/63/70/95/357637095.db2.gz LAOBOWQQXGTZRF-TVQRCGJNSA-N 0 3 267.329 1.989 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCN2CCC(O)CC2)cc1 ZINC000294728945 199155968 /nfs/dbraw/zinc/15/59/68/199155968.db2.gz BLYAUXRLXBLUTE-UHFFFAOYSA-N 0 3 279.340 1.141 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000193632548 358311452 /nfs/dbraw/zinc/31/14/52/358311452.db2.gz UNJOXUJOIBWXSW-MFKMUULPSA-N 0 3 293.323 1.088 20 5 CDBDHN CCN(CCn1cc([N+](=O)[O-])cn1)C[C@H](C)OC ZINC000361572436 358325777 /nfs/dbraw/zinc/32/57/77/358325777.db2.gz DLESSXPVVRRSGJ-JTQLQIEISA-N 0 3 256.306 1.148 20 5 CDBDHN CC[C@H](C)N1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000451840841 359085116 /nfs/dbraw/zinc/08/51/16/359085116.db2.gz KZOTUDMFBSEZMN-NSHDSACASA-N 0 3 281.360 1.244 20 5 CDBDHN COCCN(C)CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134244463 359140531 /nfs/dbraw/zinc/14/05/31/359140531.db2.gz PFKXZSNZXJTSQB-UHFFFAOYSA-N 0 3 299.302 1.042 20 5 CDBDHN Cc1nc(N(C)C[C@@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000297045748 200070150 /nfs/dbraw/zinc/07/01/50/200070150.db2.gz IBZAECOALHJZLK-LLVKDONJSA-N 0 3 279.344 1.471 20 5 CDBDHN Cc1nc(NC[C@]2(N(C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000297386488 200172448 /nfs/dbraw/zinc/17/24/48/200172448.db2.gz DUJFTZQLVHGSKE-GFCCVEGCSA-N 0 3 297.384 1.542 20 5 CDBDHN CN(CC[C@H]1CCNC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000562479210 360003761 /nfs/dbraw/zinc/00/37/61/360003761.db2.gz WCZUDTODQNXKQX-LLVKDONJSA-N 0 3 277.324 1.553 20 5 CDBDHN Cc1ccc(NC(=O)CNC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000232740258 360665448 /nfs/dbraw/zinc/66/54/48/360665448.db2.gz AGSSLXFNDQFKHK-GFCCVEGCSA-N 0 3 293.323 1.610 20 5 CDBDHN CC1(C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544698402 360801376 /nfs/dbraw/zinc/80/13/76/360801376.db2.gz UUZNBXGJMBXLRA-LBPRGKRZSA-N 0 3 280.324 1.819 20 5 CDBDHN C[C@@]1(CO)CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000544759441 360911623 /nfs/dbraw/zinc/91/16/23/360911623.db2.gz DSWWGRCDXMMOEX-AWEZNQCLSA-N 0 3 280.324 1.820 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509256 201036406 /nfs/dbraw/zinc/03/64/06/201036406.db2.gz AVPVWFBOUPCEIW-ZYHUDNBSSA-N 0 3 264.329 1.766 20 5 CDBDHN CN(C)CCN(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000301757457 201180220 /nfs/dbraw/zinc/18/02/20/201180220.db2.gz ACFBYTUNIVKHOM-UHFFFAOYSA-N 0 3 259.256 1.871 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H]2COCCO2)c1 ZINC000037998093 361522482 /nfs/dbraw/zinc/52/24/82/361522482.db2.gz FMVGQQBHBJLJSL-LBPRGKRZSA-N 0 3 252.270 1.100 20 5 CDBDHN CC1(C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1 ZINC000175443845 364419957 /nfs/dbraw/zinc/41/99/57/364419957.db2.gz DUKBCNVRNXLYLG-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN Cn1c(C(=O)NCCN2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457077362 365374893 /nfs/dbraw/zinc/37/48/93/365374893.db2.gz PNASGUUYQRQERR-UHFFFAOYSA-N 0 3 294.355 1.538 20 5 CDBDHN CNC(=O)CCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000170781927 369051736 /nfs/dbraw/zinc/05/17/36/369051736.db2.gz LKSUKSBJNJMOAN-UHFFFAOYSA-N 0 3 281.312 1.042 20 5 CDBDHN C[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)N(C)C ZINC000037988046 370098454 /nfs/dbraw/zinc/09/84/54/370098454.db2.gz UWUVWYIVFUFYCD-SSDOTTSWSA-N 0 3 265.273 1.493 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368337029 373323204 /nfs/dbraw/zinc/32/32/04/373323204.db2.gz SCEUDFCQSBEJOZ-GDNZZTSVSA-N 0 3 278.308 1.144 20 5 CDBDHN CC(C)N1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000298386524 373516338 /nfs/dbraw/zinc/51/63/38/373516338.db2.gz CQHFRLGFSJMNEL-UHFFFAOYSA-N 0 3 291.311 1.661 20 5 CDBDHN CCc1nn(C)c(NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000274025603 374071896 /nfs/dbraw/zinc/07/18/96/374071896.db2.gz WLJCNUNLTFHXFE-UHFFFAOYSA-N 0 3 279.344 1.565 20 5 CDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000368588239 374319413 /nfs/dbraw/zinc/31/94/13/374319413.db2.gz DFFRFEJGVBLZHP-MFKMUULPSA-N 0 3 290.323 1.156 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](C3CC3)C2)c1 ZINC000377493420 374604690 /nfs/dbraw/zinc/60/46/90/374604690.db2.gz LMNPVJXTPPGBEH-LBPRGKRZSA-N 0 3 264.329 1.913 20 5 CDBDHN C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000429888420 374617890 /nfs/dbraw/zinc/61/78/90/374617890.db2.gz SCRLHIODVQGIBA-LLVKDONJSA-N 0 3 293.367 1.939 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](CO)C1 ZINC000092763345 374701539 /nfs/dbraw/zinc/70/15/39/374701539.db2.gz NHGOUUOXSARHRP-PYEVWLCESA-N 0 3 262.309 1.922 20 5 CDBDHN CCOCCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000093312519 374740931 /nfs/dbraw/zinc/74/09/31/374740931.db2.gz XJTCTIOYZSHVBB-UHFFFAOYSA-N 0 3 268.313 1.942 20 5 CDBDHN CC(C)COC[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000037894561 374963486 /nfs/dbraw/zinc/96/34/86/374963486.db2.gz UUFOVJXQAHZIQR-AWEZNQCLSA-N 0 3 282.340 1.718 20 5 CDBDHN C[C@]1(O)CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000279960498 374978897 /nfs/dbraw/zinc/97/88/97/374978897.db2.gz HCHNXRUOMZYQEV-LBPRGKRZSA-N 0 3 268.317 1.028 20 5 CDBDHN COCC[C@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000282212174 375070880 /nfs/dbraw/zinc/07/08/80/375070880.db2.gz MCYMDHXWDHGJTC-GFCCVEGCSA-N 0 3 268.313 1.390 20 5 CDBDHN Cc1ccc(CNCC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282499228 375091043 /nfs/dbraw/zinc/09/10/43/375091043.db2.gz WNTDRITWXCUCJO-IBGZPJMESA-N 0 3 282.365 1.904 20 5 CDBDHN CC(COC(=O)c1ccc(N2CCOC2=O)cc1)[N+](=O)[O-] ZINC000496002574 375700932 /nfs/dbraw/zinc/70/09/32/375700932.db2.gz QNKALMIVLVPQEM-VIFPVBQESA-N 0 3 294.263 1.465 20 5 CDBDHN COc1ccc(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000194733008 375958124 /nfs/dbraw/zinc/95/81/24/375958124.db2.gz CWKBZRPZCOADMA-LLVKDONJSA-N 0 3 293.323 1.427 20 5 CDBDHN CS[C@H](CO)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000219065234 375944709 /nfs/dbraw/zinc/94/47/09/375944709.db2.gz IQPAOXVUQXKRPY-JOYOIKCWSA-N 0 3 270.354 1.797 20 5 CDBDHN C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000249004350 376115973 /nfs/dbraw/zinc/11/59/73/376115973.db2.gz ZFTZLXHMFAOFCA-RISCZKNCSA-N 0 3 280.324 1.676 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](O)C23CCCC3)c1 ZINC000433295790 248019658 /nfs/dbraw/zinc/01/96/58/248019658.db2.gz FSXKEBNQASXCBQ-LBPRGKRZSA-N 0 3 280.328 1.171 20 5 CDBDHN CCOC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173439374 378399260 /nfs/dbraw/zinc/39/92/60/378399260.db2.gz BVXIWJNCPLVTRT-MFKMUULPSA-N 0 3 268.313 1.643 20 5 CDBDHN COC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281318273 195195031 /nfs/dbraw/zinc/19/50/31/195195031.db2.gz ZQEKADIONWVNMK-GHMZBOCLSA-N 0 3 268.313 1.561 20 5 CDBDHN C[C@H]1CCSCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000286036699 390190311 /nfs/dbraw/zinc/19/03/11/390190311.db2.gz IBXYADWFBHHLLO-JTQLQIEISA-N 0 3 270.358 1.619 20 5 CDBDHN CC1(C)CCCN1CCNc1ncc([N+](=O)[O-])cn1 ZINC000450952014 390582877 /nfs/dbraw/zinc/58/28/77/390582877.db2.gz RCRAYCSPGJGHHV-UHFFFAOYSA-N 0 3 265.317 1.093 20 5 CDBDHN Nc1ccc(N2CCN(C3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000313872153 391076734 /nfs/dbraw/zinc/07/67/34/391076734.db2.gz LVQNPPPRCUPJOK-UHFFFAOYSA-N 0 3 291.355 1.637 20 5 CDBDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000519629748 391747621 /nfs/dbraw/zinc/74/76/21/391747621.db2.gz KLDINHGBXWBOBP-VIFPVBQESA-N 0 3 268.292 1.883 20 5 CDBDHN O=[N+]([O-])c1cccc(CCN[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000341894708 130136659 /nfs/dbraw/zinc/13/66/59/130136659.db2.gz FGPYHGHRBRQBJR-GFCCVEGCSA-N 0 3 298.364 1.304 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000574179272 391768959 /nfs/dbraw/zinc/76/89/59/391768959.db2.gz DPFPMDFALWJGQQ-WDEREUQCSA-N 0 3 292.339 1.487 20 5 CDBDHN CCN1CCCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000265110693 391899039 /nfs/dbraw/zinc/89/90/39/391899039.db2.gz HLYXEPYXBPMJOY-UHFFFAOYSA-N 0 3 267.333 1.169 20 5 CDBDHN NC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237788043 131057748 /nfs/dbraw/zinc/05/77/48/131057748.db2.gz BMMUTGWJGINZAK-UHFFFAOYSA-N 0 3 277.324 1.525 20 5 CDBDHN C[C@H]1C[C@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488570208 392697887 /nfs/dbraw/zinc/69/78/87/392697887.db2.gz CYMYJSNRUVTBEG-QWRGUYRKSA-N 0 3 298.364 1.614 20 5 CDBDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000419812896 392897560 /nfs/dbraw/zinc/89/75/60/392897560.db2.gz IJMQNAFAESFMSV-WCQYABFASA-N 0 3 298.339 1.215 20 5 CDBDHN C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1 ZINC000420237235 392912029 /nfs/dbraw/zinc/91/20/29/392912029.db2.gz LBHBBBPUSDPRLP-VIFPVBQESA-N 0 3 262.313 1.361 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1CCO ZINC000426262905 393040392 /nfs/dbraw/zinc/04/03/92/393040392.db2.gz HUFFECOUGCHYAH-GFCCVEGCSA-N 0 3 280.324 1.820 20 5 CDBDHN COC[C@H](CO)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449298273 393133682 /nfs/dbraw/zinc/13/36/82/393133682.db2.gz JCNZNLCWALDGFL-JQWIXIFHSA-N 0 3 268.313 1.123 20 5 CDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000334008566 393189059 /nfs/dbraw/zinc/18/90/59/393189059.db2.gz UZIXNTRLTLYMHT-UWVGGRQHSA-N 0 3 295.343 1.168 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236909105 140248295 /nfs/dbraw/zinc/24/82/95/140248295.db2.gz RXUVXBGLXIZDDD-YGRLFVJLSA-N 0 3 291.351 1.853 20 5 CDBDHN Cc1ccnc(NC[C@@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000252675282 140323036 /nfs/dbraw/zinc/32/30/36/140323036.db2.gz ZELXOTZYJFOEAR-NWDGAFQWSA-N 0 3 292.339 1.573 20 5 CDBDHN O=C1C[C@H](NCc2cccc([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000376588520 160489997 /nfs/dbraw/zinc/48/99/97/160489997.db2.gz CRSWZDZYRAKSRS-KBPBESRZSA-N 0 3 289.335 1.838 20 5 CDBDHN COc1cc(CN2C[C@H](C)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000362072108 159059517 /nfs/dbraw/zinc/05/95/17/159059517.db2.gz KORGDFQEMLHZOP-JQWIXIFHSA-N 0 3 280.324 1.664 20 5 CDBDHN CC(C)[C@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285101944 196197410 /nfs/dbraw/zinc/19/74/10/196197410.db2.gz KJBVLZHKFPLCKE-NOZJJQNGSA-N 0 3 267.329 1.845 20 5 CDBDHN CC[C@@H](O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285274959 196238382 /nfs/dbraw/zinc/23/83/82/196238382.db2.gz QZVMAGPDIPXAAK-GXSJLCMTSA-N 0 3 267.329 1.989 20 5 CDBDHN C[C@H](NCCC(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285351152 196257956 /nfs/dbraw/zinc/25/79/56/196257956.db2.gz VGFLRVINDZBHJJ-VIFPVBQESA-N 0 3 267.329 1.989 20 5 CDBDHN COC[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000038079336 174089107 /nfs/dbraw/zinc/08/91/07/174089107.db2.gz KEKZLUPTLZLFPV-JTQLQIEISA-N 0 3 254.286 1.598 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](N)C(C)(C)C ZINC000040467574 174275372 /nfs/dbraw/zinc/27/53/72/174275372.db2.gz TZLFZXFDZDYMRZ-GFCCVEGCSA-N 0 3 279.340 1.927 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525805853 262369026 /nfs/dbraw/zinc/36/90/26/262369026.db2.gz FQQOXEBGRIKVFU-LLVKDONJSA-N 0 3 277.324 1.666 20 5 CDBDHN Cc1ccnc(NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000397900704 270352355 /nfs/dbraw/zinc/35/23/55/270352355.db2.gz SHCCNMLARXMWSP-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN COC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000452043050 274051925 /nfs/dbraw/zinc/05/19/25/274051925.db2.gz USSPINOZZAYCKW-CYBMUJFWSA-N 0 3 295.339 1.257 20 5 CDBDHN CN1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000332351121 277154008 /nfs/dbraw/zinc/15/40/08/277154008.db2.gz ZKABTWMZWZDMIN-CABCVRRESA-N 0 3 291.351 1.500 20 5 CDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1(N(C)C)CC1 ZINC000419013498 277255999 /nfs/dbraw/zinc/25/59/99/277255999.db2.gz ZTJYRDFRVMEECG-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN C[C@@H](CO)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000349299892 278288122 /nfs/dbraw/zinc/28/81/22/278288122.db2.gz RTOZNFQEENFOJP-ZRQQLDRUSA-N 0 3 250.298 1.921 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCCN2C)n1 ZINC000420637375 281009742 /nfs/dbraw/zinc/00/97/42/281009742.db2.gz OLURCLPXUQSYKG-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN([C@@H](C)CO)CC2)c1 ZINC000345037816 281010933 /nfs/dbraw/zinc/01/09/33/281010933.db2.gz QXSAMPKBRBDOAB-ZDUSSCGKSA-N 0 3 293.367 1.796 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N(C)C1CC1 ZINC000551117965 290000785 /nfs/dbraw/zinc/00/07/85/290000785.db2.gz AJBLRJAEQCOSTI-SECBINFHSA-N 0 3 280.328 1.146 20 5 CDBDHN COC[C@@](C)(O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000382576241 323649081 /nfs/dbraw/zinc/64/90/81/323649081.db2.gz UFLINIYRMUHXBE-FZMZJTMJSA-N 0 3 282.340 1.951 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H]1CN1CCCC1 ZINC000338678861 526713205 /nfs/dbraw/zinc/71/32/05/526713205.db2.gz YTOZWTXJIKXPCM-LLVKDONJSA-N 0 3 292.339 1.623 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](n3cncn3)C2)cc1 ZINC000368871984 527347556 /nfs/dbraw/zinc/34/75/56/527347556.db2.gz FERNUCASAGYQOX-CQSZACIVSA-N 0 3 287.323 1.676 20 5 CDBDHN CO[C@H](CN)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423724778 536553684 /nfs/dbraw/zinc/55/36/84/536553684.db2.gz NMGZLIGCMAUSHY-CYBMUJFWSA-N 0 3 293.323 1.060 20 5 CDBDHN COc1cc(C[NH2+]CC[C@@H](C)OC)c([N+](=O)[O-])cc1[O-] ZINC000263828173 536797517 /nfs/dbraw/zinc/79/75/17/536797517.db2.gz TZCUQRNEBVRULG-SECBINFHSA-N 0 3 284.312 1.824 20 5 CDBDHN CC(COC(=O)c1ccnc(-n2cccn2)c1)[N+](=O)[O-] ZINC000813114612 617349250 /nfs/dbraw/zinc/34/92/50/617349250.db2.gz DNDWXEJPNCURER-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000934039505 617864355 /nfs/dbraw/zinc/86/43/55/617864355.db2.gz UNRVHXPDBPFQES-MGPQQGTHSA-N 0 3 296.323 1.022 20 5 CDBDHN CC(COC(=O)C[C@H]1CCC2(CCC2)CO1)[N+](=O)[O-] ZINC000893048455 618101009 /nfs/dbraw/zinc/10/10/09/618101009.db2.gz VIPCYJJOBHPVHJ-WDEREUQCSA-N 0 3 271.313 1.934 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CN(C)C[C@H]21 ZINC000893938746 618199382 /nfs/dbraw/zinc/19/93/82/618199382.db2.gz FPEMOMGAONYBII-WDEREUQCSA-N 0 3 279.344 1.260 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCC[C@H](O)C1CC1 ZINC000898205549 621362593 /nfs/dbraw/zinc/36/25/93/621362593.db2.gz DTNWUUFOPHYLLL-ZDUSSCGKSA-N 0 3 250.298 1.845 20 5 CDBDHN O=C(Cc1ccccc1)N1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905253305 626706316 /nfs/dbraw/zinc/70/63/16/626706316.db2.gz FSKIJQMPZRQVOH-AWEZNQCLSA-N 0 3 291.351 1.086 20 5 CDBDHN COc1ccc(C[C@@H](C)N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327223 1162337760 /nfs/dbraw/zinc/33/77/60/1162337760.db2.gz GABUKHKGASLTAY-DGCLKSJQSA-N 0 3 294.351 1.991 20 5 CDBDHN C[C@H](N)c1ccn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC001158349897 1162903030 /nfs/dbraw/zinc/90/30/30/1162903030.db2.gz VQEPTVMIVDGFJM-LURJTMIESA-N 0 3 278.228 1.103 20 5 CDBDHN CC(C)c1ccc(CN[C@H]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000886258208 777708680 /nfs/dbraw/zinc/70/86/80/777708680.db2.gz YEFOYUZUOSBNFJ-SHHSBJBSSA-N 0 3 294.351 1.692 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1 ZINC000856483765 774815264 /nfs/dbraw/zinc/81/52/64/774815264.db2.gz JVGIFDZDFCDNRU-LBPRGKRZSA-N 0 3 292.339 1.247 20 5 CDBDHN COCC[C@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000884331129 774861249 /nfs/dbraw/zinc/86/12/49/774861249.db2.gz GLAZPJCJXUXVMN-NSHDSACASA-N 0 3 293.323 1.156 20 5 CDBDHN CC(COC(=O)CCCNC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813110832 774869321 /nfs/dbraw/zinc/86/93/21/774869321.db2.gz KIASLBKFBKDITL-NSHDSACASA-N 0 3 294.307 1.405 20 5 CDBDHN CC(COC(=O)[C@H]1CC12CCSCC2)[N+](=O)[O-] ZINC000835456199 775343016 /nfs/dbraw/zinc/34/30/16/775343016.db2.gz SVQSAKUGIJUECL-RKDXNWHRSA-N 0 3 259.327 1.728 20 5 CDBDHN CC[C@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000843495257 775935577 /nfs/dbraw/zinc/93/55/77/775935577.db2.gz PYLKNJMJQBGBKC-JTQLQIEISA-N 0 3 263.297 1.530 20 5 CDBDHN CC(C)C(=O)Nc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000816091497 776326308 /nfs/dbraw/zinc/32/63/08/776326308.db2.gz ZFZXXVJNOAVCOC-SECBINFHSA-N 0 3 295.295 1.498 20 5 CDBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000828987511 777040566 /nfs/dbraw/zinc/04/05/66/777040566.db2.gz FYIGBNQZKMOXHC-RNCFNFMXSA-N 0 3 292.295 1.643 20 5 CDBDHN CC1(C)CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000890081440 777380775 /nfs/dbraw/zinc/38/07/75/777380775.db2.gz IQDYXTCHNZPVDV-UHFFFAOYSA-N 0 3 281.312 1.650 20 5 CDBDHN CO[C@@H](C)CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796642018 777511122 /nfs/dbraw/zinc/51/11/22/777511122.db2.gz WFMOGVMOZCJAKQ-GXFFZTMASA-N 0 3 268.313 1.595 20 5 CDBDHN CC(COC(=O)c1cc(Br)co1)[N+](=O)[O-] ZINC000838965786 777882169 /nfs/dbraw/zinc/88/21/69/777882169.db2.gz ZNASQMFMENKGSI-RXMQYKEDSA-N 0 3 278.058 1.864 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](C)C(N)=O)c1F ZINC001173175816 912281919 /nfs/dbraw/zinc/28/19/19/912281919.db2.gz UCWUROSQWWRFJD-SFYZADRCSA-N 0 3 299.302 1.137 20 5 CDBDHN CN1CC[C@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223485511 901518029 /nfs/dbraw/zinc/51/80/29/901518029.db2.gz FUQOAWMWOGGVRK-LBPRGKRZSA-N 0 3 281.268 1.724 20 5 CDBDHN CN(Cc1ccncn1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169055780 927670843 /nfs/dbraw/zinc/67/08/43/927670843.db2.gz QGESFCKOWWOOJS-ZYHUDNBSSA-N 0 3 250.302 1.354 20 5 CDBDHN COc1cnc(-n2ccc([C@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169228853 927830192 /nfs/dbraw/zinc/83/01/92/927830192.db2.gz DAQACPMYDPGXLN-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN CCC/C=C\CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835777 929479505 /nfs/dbraw/zinc/47/95/05/929479505.db2.gz OKZLGMOTBWCEMD-UUSXEQNQSA-N 0 3 295.383 1.542 20 5 CDBDHN NCc1cnnn1-c1nc2ccccc2cc1[N+](=O)[O-] ZINC001158423389 938621571 /nfs/dbraw/zinc/62/15/71/938621571.db2.gz RBKQVWMLHUDEDG-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN C[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)n1)[C@@H]1CNCCO1 ZINC001159488184 938731821 /nfs/dbraw/zinc/73/18/21/938731821.db2.gz AOVZQPHMWZLEGI-APPZFPTMSA-N 0 3 286.719 1.432 20 5 CDBDHN Cc1cccc(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC001161706030 938923458 /nfs/dbraw/zinc/92/34/58/938923458.db2.gz QXNUYBCOYZYXQW-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1-n1nccc1CN ZINC001162593593 939098095 /nfs/dbraw/zinc/09/80/95/939098095.db2.gz KWAJAXROMVVQIB-UHFFFAOYSA-N 0 3 290.279 1.416 20 5 CDBDHN CN(C)C1(C)CN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001165121092 939513719 /nfs/dbraw/zinc/51/37/19/939513719.db2.gz FSXNEHNMXSRZDO-UHFFFAOYSA-N 0 3 287.323 1.678 20 5 CDBDHN CC(COC(=O)c1nncc2ccccc21)[N+](=O)[O-] ZINC001263501888 943876240 /nfs/dbraw/zinc/87/62/40/943876240.db2.gz FELIMKCDIHUCEG-QMMMGPOBSA-N 0 3 261.237 1.452 20 5 CDBDHN CC(COC(=O)c1cc(C(F)F)n(C)n1)[N+](=O)[O-] ZINC001263502258 943876568 /nfs/dbraw/zinc/87/65/68/943876568.db2.gz NZZDKENCZZIOTI-RXMQYKEDSA-N 0 3 263.200 1.180 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC3(C1)CCOC3)C2 ZINC001254597902 947544721 /nfs/dbraw/zinc/54/47/21/947544721.db2.gz IYPIZSKMKDTHRS-CQSZACIVSA-N 0 3 274.320 1.784 20 5 CDBDHN CC(=O)N[C@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605561 947552655 /nfs/dbraw/zinc/55/26/55/947552655.db2.gz BOTRWGFCVGKJCD-ZFWWWQNUSA-N 0 3 289.335 1.272 20 5 CDBDHN CN(C)CCONC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001328382827 955280074 /nfs/dbraw/zinc/28/00/74/955280074.db2.gz KATGXYOSYOIIJM-UHFFFAOYSA-N 0 3 292.295 1.299 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC001303802352 956121505 /nfs/dbraw/zinc/12/15/05/956121505.db2.gz VGHZPNAYCFBZFF-GMSGAONNSA-N 0 3 296.302 1.139 20 5 CDBDHN COCCOC[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC001308283709 956509161 /nfs/dbraw/zinc/50/91/61/956509161.db2.gz BUHXBSAUJTVCQZ-LLVKDONJSA-N 0 3 268.313 1.736 20 5 CDBDHN Cc1cc(NC(=O)[C@@H]2CCCCN2)cc([N+](=O)[O-])c1 ZINC001342243546 963684239 /nfs/dbraw/zinc/68/42/39/963684239.db2.gz KVTRRYXQRDTEEY-LBPRGKRZSA-N 0 3 263.297 1.984 20 5 CDBDHN CC(COC(=O)COc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC001343655019 964081528 /nfs/dbraw/zinc/08/15/28/964081528.db2.gz XWOLLQZITGRZQN-SSDOTTSWSA-N 0 3 275.207 1.552 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1CN(C)CCN1C ZINC001515986012 969925818 /nfs/dbraw/zinc/92/58/18/969925818.db2.gz BJMJNDHPIRJHHU-DOMZBBRYSA-N 0 3 292.383 1.949 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1-c1cnn2c1CNCC2 ZINC000675075962 539085381 /nfs/dbraw/zinc/08/53/81/539085381.db2.gz HJFCRGULDZDMOJ-UHFFFAOYSA-N 0 3 262.244 1.701 20 5 CDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C1CCCC1 ZINC000330601701 282088737 /nfs/dbraw/zinc/08/87/37/282088737.db2.gz GSGAEWWDGGUCOX-UHFFFAOYSA-N 0 3 295.343 1.264 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693296 342583441 /nfs/dbraw/zinc/58/34/41/342583441.db2.gz QUSKTRYFHJSZSA-PWSUYJOCSA-N 0 3 264.329 1.766 20 5 CDBDHN Cc1cc(CNCCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000609222320 342097207 /nfs/dbraw/zinc/09/72/07/342097207.db2.gz AQXQSWBRLLEENR-UHFFFAOYSA-N 0 3 260.297 1.959 20 5 CDBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCN(C)C1 ZINC000592830046 342741429 /nfs/dbraw/zinc/74/14/29/342741429.db2.gz AZZNVKFMTIIGOU-LLVKDONJSA-N 0 3 294.355 1.490 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC[C@]2(O)CCCOC2)cc1 ZINC000593690957 342823485 /nfs/dbraw/zinc/82/34/85/342823485.db2.gz CTJVRNXZQDWXRY-CQSZACIVSA-N 0 3 280.324 1.616 20 5 CDBDHN Cc1nn(C)c(N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593516497 342805714 /nfs/dbraw/zinc/80/57/14/342805714.db2.gz OOSPWSDMWAXFRX-UHFFFAOYSA-N 0 3 281.360 1.559 20 5 CDBDHN C[C@@H](N[C@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593718731 342828605 /nfs/dbraw/zinc/82/86/05/342828605.db2.gz QBZFESTWGYRGPA-KOLCDFICSA-N 0 3 256.277 1.966 20 5 CDBDHN CN[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594431137 342897810 /nfs/dbraw/zinc/89/78/10/342897810.db2.gz IHISGGCEAXMOSL-NSHDSACASA-N 0 3 279.340 1.940 20 5 CDBDHN CC[C@](C)(N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649887 342932150 /nfs/dbraw/zinc/93/21/50/342932150.db2.gz PWMDJHQDXBUNCC-NSHDSACASA-N 0 3 262.273 1.154 20 5 CDBDHN C[C@@H](CN(C)C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594955360 342983043 /nfs/dbraw/zinc/98/30/43/342983043.db2.gz PNSAQXVMYDCNMF-JTQLQIEISA-N 0 3 295.339 1.406 20 5 CDBDHN Cc1noc(CN2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595305744 343031157 /nfs/dbraw/zinc/03/11/57/343031157.db2.gz JVRSMAIZNFBPSM-LLVKDONJSA-N 0 3 280.328 1.561 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](N2CCCC2)C1 ZINC000076836023 342323792 /nfs/dbraw/zinc/32/37/92/342323792.db2.gz RBWWMFAFUHSDES-NSHDSACASA-N 0 3 279.344 1.393 20 5 CDBDHN O=c1[n-]ccc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596089047 343233492 /nfs/dbraw/zinc/23/34/92/343233492.db2.gz WEEWHOBHIVBRQP-UHFFFAOYSA-N 0 3 292.339 1.982 20 5 CDBDHN Cc1cc(NCCOCCN(C)C)c([N+](=O)[O-])s1 ZINC000596182646 343250724 /nfs/dbraw/zinc/25/07/24/343250724.db2.gz DSSFJTPRMKKYMG-UHFFFAOYSA-N 0 3 273.358 1.955 20 5 CDBDHN CN(C)CCN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000085361005 342381381 /nfs/dbraw/zinc/38/13/81/342381381.db2.gz QDYWYUMZYXLDRD-UHFFFAOYSA-N 0 3 295.339 1.384 20 5 CDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000596269603 343281191 /nfs/dbraw/zinc/28/11/91/343281191.db2.gz UXOJZONZFBHDNB-NSHDSACASA-N 0 3 264.329 1.910 20 5 CDBDHN C[N@@H+]1CCC[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596272238 343294129 /nfs/dbraw/zinc/29/41/29/343294129.db2.gz VGRDZTRLBYFWBT-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN C[N@H+]1CCC[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596272238 343294132 /nfs/dbraw/zinc/29/41/32/343294132.db2.gz VGRDZTRLBYFWBT-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000619567051 349805622 /nfs/dbraw/zinc/80/56/22/349805622.db2.gz LHKYMSDWPDNMNI-JTQLQIEISA-N 0 3 295.343 1.183 20 5 CDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000619567051 349805628 /nfs/dbraw/zinc/80/56/28/349805628.db2.gz LHKYMSDWPDNMNI-JTQLQIEISA-N 0 3 295.343 1.183 20 5 CDBDHN Cc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598576364 343834179 /nfs/dbraw/zinc/83/41/79/343834179.db2.gz RTMGBYUDVXELMK-ZDUSSCGKSA-N 0 3 291.351 1.973 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2CCC[C@H]21 ZINC000612108247 347023398 /nfs/dbraw/zinc/02/33/98/347023398.db2.gz VHAQYTPGSCOXRN-JHJVBQTASA-N 0 3 292.335 1.819 20 5 CDBDHN CCN[C@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000602442515 344430418 /nfs/dbraw/zinc/43/04/18/344430418.db2.gz CBFNLDNJMAMDAK-SNVBAGLBSA-N 0 3 265.313 1.551 20 5 CDBDHN CSC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000602921871 344650877 /nfs/dbraw/zinc/65/08/77/344650877.db2.gz AZVBXVWHCRHIQK-UHFFFAOYSA-N 0 3 297.380 1.584 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242868 362558931 /nfs/dbraw/zinc/55/89/31/362558931.db2.gz PCSZIJZHWKSUKW-GFCCVEGCSA-N 0 3 295.314 1.948 20 5 CDBDHN CNC(=O)c1ccc(N2C[C@@H](C)N[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000212617673 346155104 /nfs/dbraw/zinc/15/51/04/346155104.db2.gz JAQNKJGNSXGHTN-AOOOYVTPSA-N 0 3 292.339 1.141 20 5 CDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@@H]1N(C)C ZINC000271025697 190912898 /nfs/dbraw/zinc/91/28/98/190912898.db2.gz GLCXSXYBEHOPQO-NWDGAFQWSA-N 0 3 296.396 1.780 20 5 CDBDHN COC[C@H](O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090953151 180073496 /nfs/dbraw/zinc/07/34/96/180073496.db2.gz WWIHGFBXRVRQKH-ZWNOBZJWSA-N 0 3 268.313 1.643 20 5 CDBDHN CCC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037029877 363316014 /nfs/dbraw/zinc/31/60/14/363316014.db2.gz ZRANNYLPJMHAST-SECBINFHSA-N 0 3 251.286 1.969 20 5 CDBDHN CN(CCCn1ccnc1)CCn1ccc([N+](=O)[O-])n1 ZINC000181060486 357308636 /nfs/dbraw/zinc/30/86/36/357308636.db2.gz WLIKDTRVSSUAOD-UHFFFAOYSA-N 0 3 278.316 1.010 20 5 CDBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCOCCO ZINC000282711431 357471127 /nfs/dbraw/zinc/47/11/27/357471127.db2.gz KSQOJOKDHDXBEK-FNORWQNLSA-N 0 3 294.351 1.939 20 5 CDBDHN COc1ccc(CNC(C)(C)CCO)cc1[N+](=O)[O-] ZINC000135225568 357798405 /nfs/dbraw/zinc/79/84/05/357798405.db2.gz ISSUYUURUIDUNO-UHFFFAOYSA-N 0 3 268.313 1.854 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1SCCN(C)C ZINC000361060166 357789676 /nfs/dbraw/zinc/78/96/76/357789676.db2.gz UYJXKUYEBXJERT-UHFFFAOYSA-N 0 3 258.347 1.773 20 5 CDBDHN COc1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1[O-] ZINC000188853802 357945513 /nfs/dbraw/zinc/94/55/13/357945513.db2.gz SOJRQIMTXZTXGJ-GXSJLCMTSA-N 0 3 296.323 1.560 20 5 CDBDHN Cc1c(NC(=O)N[C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000287133022 358103741 /nfs/dbraw/zinc/10/37/41/358103741.db2.gz YSNGZQXGELGJJI-VIFPVBQESA-N 0 3 280.328 1.975 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776525 358516982 /nfs/dbraw/zinc/51/69/82/358516982.db2.gz OJXFBLLPGRFQMC-OCCSQVGLSA-N 0 3 289.335 1.300 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCN(C)C1 ZINC000380739433 358889618 /nfs/dbraw/zinc/88/96/18/358889618.db2.gz LGTYRYMMAIAPFI-NSHDSACASA-N 0 3 281.360 1.873 20 5 CDBDHN CC[C@@H]1CN(CC)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000451728274 359073427 /nfs/dbraw/zinc/07/34/27/359073427.db2.gz FEYVZMPMNKXTDH-GFCCVEGCSA-N 0 3 281.360 1.207 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000288041460 359149666 /nfs/dbraw/zinc/14/96/66/359149666.db2.gz SXFZUCSKOXFJJH-NSHDSACASA-N 0 3 294.355 1.387 20 5 CDBDHN CCN(CCC(=O)OC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000050053845 359565060 /nfs/dbraw/zinc/56/50/60/359565060.db2.gz RBFVPKPWVYHFLO-UHFFFAOYSA-N 0 3 296.323 1.988 20 5 CDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)NC1CC1 ZINC000297306804 200142181 /nfs/dbraw/zinc/14/21/81/200142181.db2.gz BPKJWALKABXOQD-LLVKDONJSA-N 0 3 291.351 1.784 20 5 CDBDHN Cc1nc(N[C@@H]2CN(C3CC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297332695 200151546 /nfs/dbraw/zinc/15/15/46/200151546.db2.gz AHUZFPIITIZRAM-LDYMZIIASA-N 0 3 277.328 1.588 20 5 CDBDHN C[C@@]1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178009006 189085124 /nfs/dbraw/zinc/08/51/24/189085124.db2.gz PGCKFOMNZQLWTF-CYBMUJFWSA-N 0 3 266.297 1.430 20 5 CDBDHN COc1ccc(CN[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000168893488 361560405 /nfs/dbraw/zinc/56/04/05/361560405.db2.gz LOBHNGLNLCNPBF-SNVBAGLBSA-N 0 3 267.329 1.643 20 5 CDBDHN C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000581168601 363967893 /nfs/dbraw/zinc/96/78/93/363967893.db2.gz CUVRCDUJLDIAIA-ZJUUUORDSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN1C1CC1 ZINC000268038928 364081478 /nfs/dbraw/zinc/08/14/78/364081478.db2.gz XLRAUOMKXQLNCF-RKDXNWHRSA-N 0 3 278.312 1.278 20 5 CDBDHN C[C@H]1CCC[C@@H](CO)N1CCn1ccc([N+](=O)[O-])n1 ZINC000270507534 366892036 /nfs/dbraw/zinc/89/20/36/366892036.db2.gz RDQTXXRJTFZRPD-QWRGUYRKSA-N 0 3 268.317 1.027 20 5 CDBDHN CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270917015 366945083 /nfs/dbraw/zinc/94/50/83/366945083.db2.gz OPDNTQNYJCBAGI-YPMHNXCESA-N 0 3 280.324 1.676 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C(C)C ZINC000272760711 367942446 /nfs/dbraw/zinc/94/24/46/367942446.db2.gz POSYZVYVXWKSOW-CYBMUJFWSA-N 0 3 295.339 1.448 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330828118 203287442 /nfs/dbraw/zinc/28/74/42/203287442.db2.gz WSJKXMBKQOVBRA-SNVBAGLBSA-N 0 3 280.328 1.337 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000581054558 372804640 /nfs/dbraw/zinc/80/46/40/372804640.db2.gz YOWFPMOOBGHHCR-MFKMUULPSA-N 0 3 290.323 1.763 20 5 CDBDHN Cc1cc(N2CCN(C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266451657 372846059 /nfs/dbraw/zinc/84/60/59/372846059.db2.gz XKHSZVZIRMUYSM-QWHCGFSZSA-N 0 3 293.367 1.795 20 5 CDBDHN CC[C@@H](NC[C@@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154341110 374698408 /nfs/dbraw/zinc/69/84/08/374698408.db2.gz VUKCWGFDSVDNPU-ZIAGYGMSSA-N 0 3 281.356 1.558 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN[C@H](CO)[C@@H]1CCCO1 ZINC000447911846 374721946 /nfs/dbraw/zinc/72/19/46/374721946.db2.gz FOLSFGYZNHYDLB-YPMHNXCESA-N 0 3 296.323 1.103 20 5 CDBDHN COc1ccc(CN[C@@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447923831 374722106 /nfs/dbraw/zinc/72/21/06/374722106.db2.gz UIIUAFNQIALHJO-WCQYABFASA-N 0 3 296.323 1.233 20 5 CDBDHN C[C@@H]1CN(C)[C@@H](C)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330582630 374866994 /nfs/dbraw/zinc/86/69/94/374866994.db2.gz KAZKGVDRCMWGIR-QWHCGFSZSA-N 0 3 293.367 1.998 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000330551896 374862542 /nfs/dbraw/zinc/86/25/42/374862542.db2.gz XRFQWMVCGLUFRQ-UHFFFAOYSA-N 0 3 283.353 1.824 20 5 CDBDHN CCc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331292085 374924143 /nfs/dbraw/zinc/92/41/43/374924143.db2.gz KVGBMIWDGDXAFX-DTWKUNHWSA-N 0 3 295.343 1.093 20 5 CDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331292086 374924206 /nfs/dbraw/zinc/92/42/06/374924206.db2.gz KVGBMIWDGDXAFX-IUCAKERBSA-N 0 3 295.343 1.093 20 5 CDBDHN CCOC[C@H](O)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344818117 375526859 /nfs/dbraw/zinc/52/68/59/375526859.db2.gz FCPQSPJMOPEZMB-CUXKMMBLSA-N 0 3 294.351 1.985 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCC2(O)CCOCC2)c(F)c1 ZINC000353038454 375567804 /nfs/dbraw/zinc/56/78/04/375567804.db2.gz ZDHQJFGVEIHDJF-UHFFFAOYSA-N 0 3 298.314 1.755 20 5 CDBDHN CN1CCC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000356278704 375831405 /nfs/dbraw/zinc/83/14/05/375831405.db2.gz JRULTIDTFOBFBF-CQSZACIVSA-N 0 3 292.339 1.481 20 5 CDBDHN CN1CC[C@@](O)(CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000358303161 375959960 /nfs/dbraw/zinc/95/99/60/375959960.db2.gz KBTCMNTWQMQVDS-LLVKDONJSA-N 0 3 286.719 1.122 20 5 CDBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1=CCN(C)CC1 ZINC000357904726 375940005 /nfs/dbraw/zinc/94/00/05/375940005.db2.gz ILXARWIOSNCWKQ-SECBINFHSA-N 0 3 278.312 1.303 20 5 CDBDHN CC1(C)[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000172951000 377791421 /nfs/dbraw/zinc/79/14/21/377791421.db2.gz OFRHQAXXCCOGOA-TXEJJXNPSA-N 0 3 289.335 1.782 20 5 CDBDHN CCCC[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676289 378524012 /nfs/dbraw/zinc/52/40/12/378524012.db2.gz SGFQMQITGZAORF-CYBMUJFWSA-N 0 3 279.340 1.771 20 5 CDBDHN COC(=O)CCN(CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000266916584 378673188 /nfs/dbraw/zinc/67/31/88/378673188.db2.gz GFNPUAWBUOYBJF-UHFFFAOYSA-N 0 3 284.316 1.065 20 5 CDBDHN CC(C)[C@@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680553 250165902 /nfs/dbraw/zinc/16/59/02/250165902.db2.gz PSZNCOXUPDBTAM-GFCCVEGCSA-N 0 3 278.312 1.578 20 5 CDBDHN Cc1nc(N[C@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450276848 251204640 /nfs/dbraw/zinc/20/46/40/251204640.db2.gz NZWQDZUVVUAFFK-VIFPVBQESA-N 0 3 263.301 1.342 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCN(C)C1 ZINC000289051096 197221409 /nfs/dbraw/zinc/22/14/09/197221409.db2.gz ZZOYHIWWKIKEEM-SNVBAGLBSA-N 0 3 267.333 1.483 20 5 CDBDHN Cc1nc(NC(C)(C)CN2CCCC2)ncc1[N+](=O)[O-] ZINC000450950773 251556757 /nfs/dbraw/zinc/55/67/57/251556757.db2.gz NVPYDNPQJPGAHI-UHFFFAOYSA-N 0 3 279.344 1.980 20 5 CDBDHN Cc1ccc(CNC[C@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280319294 194797028 /nfs/dbraw/zinc/79/70/28/194797028.db2.gz PDJMZVHEDZHHQR-ZIAGYGMSSA-N 0 3 294.351 1.638 20 5 CDBDHN CC[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000490770394 253048735 /nfs/dbraw/zinc/04/87/35/253048735.db2.gz NDGPJIMPORPLDB-ZDUSSCGKSA-N 0 3 279.340 1.771 20 5 CDBDHN CNC(=O)[C@@]1(C)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000281293806 195184086 /nfs/dbraw/zinc/18/40/86/195184086.db2.gz WTVSPJUJKKXPHU-AWEZNQCLSA-N 0 3 277.324 1.553 20 5 CDBDHN CC1(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)COC1 ZINC000440488310 391394394 /nfs/dbraw/zinc/39/43/94/391394394.db2.gz ODWPDNXKGUCONN-NSHDSACASA-N 0 3 292.339 1.513 20 5 CDBDHN CN1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439091900 391403154 /nfs/dbraw/zinc/40/31/54/391403154.db2.gz AUWPHALXJSSMMD-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000227968155 391909305 /nfs/dbraw/zinc/90/93/05/391909305.db2.gz FKWRTYOUMZGVQS-ZWNOBZJWSA-N 0 3 266.297 1.224 20 5 CDBDHN COCCN(C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173438725 391990092 /nfs/dbraw/zinc/99/00/92/391990092.db2.gz BLPPGAODAVEWKT-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248988097 131119957 /nfs/dbraw/zinc/11/99/57/131119957.db2.gz WRWNJOPTJRYZSN-GWCFXTLKSA-N 0 3 250.298 1.798 20 5 CDBDHN N[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000261953147 131179101 /nfs/dbraw/zinc/17/91/01/131179101.db2.gz KGKOZVVXKVQIFQ-LBPRGKRZSA-N 0 3 279.296 1.287 20 5 CDBDHN Cc1cc(C(=O)NCCN2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000524720437 392919371 /nfs/dbraw/zinc/91/93/71/392919371.db2.gz QNGOOSYWFRVHNS-LLVKDONJSA-N 0 3 291.351 1.975 20 5 CDBDHN Cc1cnc(N2CCC[C@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000268644938 132041433 /nfs/dbraw/zinc/04/14/33/132041433.db2.gz SMHWFDAXKLXHBD-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN C[C@H](NC1CC1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000449070104 393129559 /nfs/dbraw/zinc/12/95/59/393129559.db2.gz JFVVTQOSEHAGBV-JTQLQIEISA-N 0 3 292.339 1.263 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C ZINC000334020869 149300490 /nfs/dbraw/zinc/30/04/90/149300490.db2.gz DHNMPLPFDGINEQ-VHSXEESVSA-N 0 3 292.339 1.390 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)C)c1 ZINC000346139781 153067703 /nfs/dbraw/zinc/06/77/03/153067703.db2.gz OUSSKDGUNKKJIT-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)C)c1 ZINC000346168876 153081328 /nfs/dbraw/zinc/08/13/28/153081328.db2.gz GLXYVNBEMXQKGN-SNVBAGLBSA-N 0 3 295.339 1.673 20 5 CDBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000352193790 155012633 /nfs/dbraw/zinc/01/26/33/155012633.db2.gz GAEWGAIOILLZKN-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN C[C@@H](NCCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000361983319 159031921 /nfs/dbraw/zinc/03/19/21/159031921.db2.gz UJVKBGDZPYJRKB-LLVKDONJSA-N 0 3 287.323 1.569 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](C2CC2)C1 ZINC000372335484 160107309 /nfs/dbraw/zinc/10/73/09/160107309.db2.gz XCXLUQPSAWSFBG-GFCCVEGCSA-N 0 3 277.324 1.488 20 5 CDBDHN CC1CCN(CCNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000040444330 174264357 /nfs/dbraw/zinc/26/43/57/174264357.db2.gz GQHOPXXGMJNNKX-UHFFFAOYSA-N 0 3 267.333 1.472 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@H](C)C1 ZINC000525804903 262367447 /nfs/dbraw/zinc/36/74/47/262367447.db2.gz VPQZWSWIEFKBMU-NSHDSACASA-N 0 3 291.351 1.975 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1CCO ZINC000049801361 424447450 /nfs/dbraw/zinc/44/74/50/424447450.db2.gz RIGXNWWJUWHBBW-LBPRGKRZSA-N 0 3 282.344 1.337 20 5 CDBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H](C)O ZINC000395446632 270343141 /nfs/dbraw/zinc/34/31/41/270343141.db2.gz XNVWVDKTRCXDNY-PRHODGIISA-N 0 3 256.277 1.983 20 5 CDBDHN CCOc1cccc(N2CCNCC2)c1[N+](=O)[O-] ZINC000134794921 276381494 /nfs/dbraw/zinc/38/14/94/276381494.db2.gz YSORUVWHEPTPMR-UHFFFAOYSA-N 0 3 251.286 1.403 20 5 CDBDHN COCCN1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000268891121 277227347 /nfs/dbraw/zinc/22/73/47/277227347.db2.gz JJSWVHUURASZJY-OCCSQVGLSA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCCF ZINC000436316264 278222030 /nfs/dbraw/zinc/22/20/30/278222030.db2.gz RMMHBJSOMGTVQE-VIFPVBQESA-N 0 3 269.276 1.871 20 5 CDBDHN C[C@@H]1C[C@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000340914403 279001164 /nfs/dbraw/zinc/00/11/64/279001164.db2.gz RPKXOCWCKYEYSC-MFKMUULPSA-N 0 3 250.298 1.592 20 5 CDBDHN C[C@H]1CCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331063514 279658762 /nfs/dbraw/zinc/65/87/62/279658762.db2.gz PHAXOYUKIURQOV-VHSXEESVSA-N 0 3 252.318 1.997 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(C)CC2)n1 ZINC000162595655 281014548 /nfs/dbraw/zinc/01/45/48/281014548.db2.gz ZVKRHPFMOFRPPJ-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN COc1ccc(CC(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000531011084 281655284 /nfs/dbraw/zinc/65/52/84/281655284.db2.gz VRJOUQUZGGKTNQ-UHFFFAOYSA-N 0 3 295.339 1.166 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000457210531 282061931 /nfs/dbraw/zinc/06/19/31/282061931.db2.gz DEYDIVXEBHPWPN-UHFFFAOYSA-N 0 3 255.274 1.258 20 5 CDBDHN CN(C)Cc1ccccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549159210 289959080 /nfs/dbraw/zinc/95/90/80/289959080.db2.gz CAFIUBZOEWVOLM-UHFFFAOYSA-N 0 3 289.295 1.632 20 5 CDBDHN CN(C)CCN(C(=O)c1c[nH]nc1[N+](=O)[O-])C1CCCC1 ZINC000554892766 290197098 /nfs/dbraw/zinc/19/70/98/290197098.db2.gz IORSRKMMRIYORJ-UHFFFAOYSA-N 0 3 295.343 1.264 20 5 CDBDHN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000122908489 297084628 /nfs/dbraw/zinc/08/46/28/297084628.db2.gz KNBRVIXZTVHXBT-SFYZADRCSA-N 0 3 270.720 1.830 20 5 CDBDHN COCCCN(C)CCNc1ncccc1[N+](=O)[O-] ZINC000078372781 523230258 /nfs/dbraw/zinc/23/02/58/523230258.db2.gz LUCGCHDUMRYOGB-UHFFFAOYSA-N 0 3 268.317 1.370 20 5 CDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1N(C)C ZINC000337027099 525847522 /nfs/dbraw/zinc/84/75/22/525847522.db2.gz WCZLUDDZXYWQEF-HTQZYQBOSA-N 0 3 288.398 1.533 20 5 CDBDHN Cc1nc(N[C@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161536847 527002728 /nfs/dbraw/zinc/00/27/28/527002728.db2.gz OPTMPXFSPMIZRQ-JTQLQIEISA-N 0 3 262.313 1.947 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)C1CC1 ZINC000763085006 575024742 /nfs/dbraw/zinc/02/47/42/575024742.db2.gz OCNLWBROIGTVIB-LBPRGKRZSA-N 0 3 266.297 1.464 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CO)C1CC1 ZINC000771803317 575614105 /nfs/dbraw/zinc/61/41/05/575614105.db2.gz BJYJKNVXDRGDBF-ZDUSSCGKSA-N 0 3 293.323 1.202 20 5 CDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000759875607 576440074 /nfs/dbraw/zinc/44/00/74/576440074.db2.gz CVBUDXIPNOZMLH-ZDUSSCGKSA-N 0 3 280.324 1.475 20 5 CDBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000892608966 617532835 /nfs/dbraw/zinc/53/28/35/617532835.db2.gz STAOJQHROOAWAZ-PWSUYJOCSA-N 0 3 298.364 1.508 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NCCN1CCCCC1 ZINC000891837388 617634842 /nfs/dbraw/zinc/63/48/42/617634842.db2.gz MQNJDGJNGUUFLM-UHFFFAOYSA-N 0 3 253.306 1.226 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1N(C)CCCC1(C)C ZINC000893573103 618145929 /nfs/dbraw/zinc/14/59/29/618145929.db2.gz WQQALRGOWAZLEC-LLVKDONJSA-N 0 3 281.360 1.861 20 5 CDBDHN COc1cc(CNCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1[O-] ZINC000895298961 619528290 /nfs/dbraw/zinc/52/82/90/619528290.db2.gz CTAZNYQXAWUSTE-JTQLQIEISA-N 0 3 297.355 1.739 20 5 CDBDHN O=[N+]([O-])CCN[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000905121850 626632580 /nfs/dbraw/zinc/63/25/80/626632580.db2.gz GXTNZYXIJISXNS-LBPRGKRZSA-N 0 3 267.304 1.661 20 5 CDBDHN C[C@H](N[C@H]1COC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905867810 627010554 /nfs/dbraw/zinc/01/05/54/627010554.db2.gz OPRKNLYNJCKGNI-KWBADKCTSA-N 0 3 293.323 1.546 20 5 CDBDHN CC(COC(=O)c1nn(C)c2c1CCCC2)[N+](=O)[O-] ZINC000835454474 631645628 /nfs/dbraw/zinc/64/56/28/631645628.db2.gz KCIMQKUSZVPDRO-MRVPVSSYSA-N 0 3 267.285 1.121 20 5 CDBDHN COC(=O)c1ccc(OC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000916203280 631939046 /nfs/dbraw/zinc/93/90/46/631939046.db2.gz OFTIQNYVGTZNOF-LLVKDONJSA-N 0 3 294.307 1.854 20 5 CDBDHN COc1ccc(C[C@H](C)N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170326679 1162337289 /nfs/dbraw/zinc/33/72/89/1162337289.db2.gz BNQBHEHERSSTGW-NSHDSACASA-N 0 3 293.367 1.780 20 5 CDBDHN C[C@@H](Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC001170571079 1162958874 /nfs/dbraw/zinc/95/88/74/1162958874.db2.gz XYMIIRXCWPMEMP-NOZJJQNGSA-N 0 3 290.323 1.865 20 5 CDBDHN C[C@@H](Nc1cc(F)cc(F)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170571137 1162959212 /nfs/dbraw/zinc/95/92/12/1162959212.db2.gz YISUGMAWEQKAQN-HQJQHLMTSA-N 0 3 287.266 1.662 20 5 CDBDHN O=C(C=C1CCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125561546 1159080578 /nfs/dbraw/zinc/08/05/78/1159080578.db2.gz FGKPBLHWQWBZSD-UHFFFAOYSA-N 0 3 289.335 1.911 20 5 CDBDHN NC1(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001574269125 1170936069 /nfs/dbraw/zinc/93/60/69/1170936069.db2.gz OSIITVMPPXNPKJ-UHFFFAOYSA-N 0 3 272.264 1.573 20 5 CDBDHN C[C@@H]1C[NH2+]C[C@H]1[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001579460593 1172187046 /nfs/dbraw/zinc/18/70/46/1172187046.db2.gz ANVGSLVWUNUDAS-LDYMZIIASA-N 0 3 299.277 1.411 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCN[C@@H]3C[C@@H]32)c(Cl)c1 ZINC001580876044 1172558646 /nfs/dbraw/zinc/55/86/46/1172558646.db2.gz YJPNHIZBGPYGEW-BDAKNGLRSA-N 0 3 254.677 1.194 20 5 CDBDHN CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC000236647598 1178366110 /nfs/dbraw/zinc/36/61/10/1178366110.db2.gz AUCDMIXBYVYWBW-UHFFFAOYSA-N 0 3 251.286 1.211 20 5 CDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc2c1OCCO2 ZINC000813109483 1163816518 /nfs/dbraw/zinc/81/65/18/1163816518.db2.gz UIGLLGGGCIWDAI-QMMMGPOBSA-N 0 3 297.263 1.288 20 5 CDBDHN CC(C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021845797 782398933 /nfs/dbraw/zinc/39/89/33/782398933.db2.gz LHPOBHPKWPBUHH-BETUJISGSA-N 0 3 291.351 1.988 20 5 CDBDHN COC[C@](C)(O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783629364 782849301 /nfs/dbraw/zinc/84/93/01/782849301.db2.gz ORQGYMAIUYUGGQ-GFCCVEGCSA-N 0 3 288.731 1.735 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1-c1ccoc1)[N+](=O)[O-] ZINC000813108057 780860623 /nfs/dbraw/zinc/86/06/23/780860623.db2.gz USPBIBMRELGWRY-MRVPVSSYSA-N 0 3 279.252 1.502 20 5 CDBDHN CN(C)CCN(C)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866309043 780890585 /nfs/dbraw/zinc/89/05/85/780890585.db2.gz BFPCGZAVVGYDOG-UHFFFAOYSA-N 0 3 283.303 1.296 20 5 CDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000813111955 781254834 /nfs/dbraw/zinc/25/48/34/781254834.db2.gz LUWYJJWJXMTJON-ZETCQYMHSA-N 0 3 284.224 1.425 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCCOCCO ZINC000230786885 781581613 /nfs/dbraw/zinc/58/16/13/781581613.db2.gz BYTOKHMDUNBIHW-UHFFFAOYSA-N 0 3 288.731 1.737 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CN)cnc1=N ZINC001173226548 912323591 /nfs/dbraw/zinc/32/35/91/912323591.db2.gz XQFIZHVZHZNZAE-SNVBAGLBSA-N 0 3 287.323 1.533 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC001173230452 912327105 /nfs/dbraw/zinc/32/71/05/912327105.db2.gz YFJPBHHQFDMBEM-GFCCVEGCSA-N 0 3 263.341 1.773 20 5 CDBDHN CCOc1cc([N+](=O)[O-])ccc1-n1nccc1CN ZINC001162593293 922791797 /nfs/dbraw/zinc/79/17/97/922791797.db2.gz GDWMGRKJGOKHQB-UHFFFAOYSA-N 0 3 262.269 1.638 20 5 CDBDHN NCc1ccnn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001155125773 926569625 /nfs/dbraw/zinc/56/96/25/926569625.db2.gz ZPLNSOGYPNNVAA-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN Cc1cnc(OCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000776432778 927047152 /nfs/dbraw/zinc/04/71/52/927047152.db2.gz CSIBBVXYQFZOGO-UHFFFAOYSA-N 0 3 251.286 1.773 20 5 CDBDHN CC(COC(=O)c1ncoc1-c1ccon1)[N+](=O)[O-] ZINC000851036194 927504167 /nfs/dbraw/zinc/50/41/67/927504167.db2.gz FCLZAMQRBURGTE-ZCFIWIBFSA-N 0 3 267.197 1.152 20 5 CDBDHN C[C@H](NC[C@H]1CCC(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000852096725 927708855 /nfs/dbraw/zinc/70/88/55/927708855.db2.gz NIXKUADEVBGALO-JOYOIKCWSA-N 0 3 264.281 1.951 20 5 CDBDHN C[C@@H]1C[C@@H](O)CN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602173 927814253 /nfs/dbraw/zinc/81/42/53/927814253.db2.gz TZVIRABEUCJTRC-OASPWFOLSA-N 0 3 266.297 1.083 20 5 CDBDHN COc1cc(C)nc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159500206 930315258 /nfs/dbraw/zinc/31/52/58/930315258.db2.gz WLWPPDFQAHGUIU-ONGXEEELSA-N 0 3 296.327 1.096 20 5 CDBDHN CC1(C)[C@H](NCc2cccnc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000886229390 930832575 /nfs/dbraw/zinc/83/25/75/930832575.db2.gz OYFFBSODDKHUPF-TUAOUCFPSA-N 0 3 277.324 1.893 20 5 CDBDHN CN(CCCF)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887141228 931026221 /nfs/dbraw/zinc/02/62/21/931026221.db2.gz KHVXKQZAOLEKJJ-LBPRGKRZSA-N 0 3 256.277 1.920 20 5 CDBDHN CC(C)Oc1nc(-n2nccc2CN)ccc1[N+](=O)[O-] ZINC001155130331 937639921 /nfs/dbraw/zinc/63/99/21/937639921.db2.gz LYGVHYUHKBLVDU-UHFFFAOYSA-N 0 3 277.284 1.421 20 5 CDBDHN O=[N+]([O-])CCN1CC[C@H](COCc2ccccc2)C1 ZINC000929724350 933263066 /nfs/dbraw/zinc/26/30/66/933263066.db2.gz QKKYUDOBDYDHOY-AWEZNQCLSA-N 0 3 264.325 1.802 20 5 CDBDHN O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2CCN(C3CCC3)C2)c1 ZINC001161176638 938878008 /nfs/dbraw/zinc/87/80/08/938878008.db2.gz ZWEFXTVTCJERMB-JTQLQIEISA-N 0 3 278.312 1.267 20 5 CDBDHN NCc1ccnn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001162593858 939097276 /nfs/dbraw/zinc/09/72/76/939097276.db2.gz SNQNDRZRDSGMBO-UHFFFAOYSA-N 0 3 254.196 1.517 20 5 CDBDHN NCc1ccnn1-c1ccnc2c1cccc2[N+](=O)[O-] ZINC001162597102 939098903 /nfs/dbraw/zinc/09/89/03/939098903.db2.gz COVHRGSXGZSGFC-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cc(-n2ncc3c2CCNC3)n1 ZINC001165219081 939526515 /nfs/dbraw/zinc/52/65/15/939526515.db2.gz QBAWJFYTMRHBMB-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000400987182 940862511 /nfs/dbraw/zinc/86/25/11/940862511.db2.gz ZGDSLFKIMKIBMM-MFKMUULPSA-N 0 3 279.340 1.975 20 5 CDBDHN COC(=O)c1cc(O[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC001228768822 942373320 /nfs/dbraw/zinc/37/33/20/942373320.db2.gz MSIVDRXXHDPTPQ-LBPRGKRZSA-N 0 3 294.307 1.854 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234913728 943972135 /nfs/dbraw/zinc/97/21/35/943972135.db2.gz BXESQRYRAMSLMA-VIFPVBQESA-O 0 3 284.405 1.694 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CC[C@H](OC)C2)c1[N+](=O)[O-] ZINC001262365979 946613508 /nfs/dbraw/zinc/61/35/08/946613508.db2.gz QSCKJADKFILUMK-QWRGUYRKSA-N 0 3 296.323 1.966 20 5 CDBDHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272770 956076398 /nfs/dbraw/zinc/07/63/98/956076398.db2.gz DTGHULHSUXBTKX-NWDGAFQWSA-N 0 3 278.312 1.232 20 5 CDBDHN CC(COC(=O)c1cnccc1C(F)(F)F)[N+](=O)[O-] ZINC000847714186 968004159 /nfs/dbraw/zinc/00/41/59/968004159.db2.gz MHNDVVJVKHXLII-LURJTMIESA-N 0 3 278.186 1.922 20 5 CDBDHN CCOC(=O)C1(C)CC(NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000601272795 342548019 /nfs/dbraw/zinc/54/80/19/342548019.db2.gz LRVJNWJLMGBMEA-UHFFFAOYSA-N 0 3 296.327 1.113 20 5 CDBDHN CC(C)(NCC[C@H]1CCNC1=O)c1ccccc1[N+](=O)[O-] ZINC000565171330 365599240 /nfs/dbraw/zinc/59/92/40/365599240.db2.gz LKXYDNCSFZHADN-LLVKDONJSA-N 0 3 291.351 1.946 20 5 CDBDHN CC1CCN(C[C@@H](O)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000067373182 342048943 /nfs/dbraw/zinc/04/89/43/342048943.db2.gz KMUPZAZNHCOBGP-ZDUSSCGKSA-N 0 3 294.355 1.495 20 5 CDBDHN CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000124895285 187160319 /nfs/dbraw/zinc/16/03/19/187160319.db2.gz COVKROFPKOYNMZ-LBPRGKRZSA-N 0 3 265.313 1.551 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000608905603 342084206 /nfs/dbraw/zinc/08/42/06/342084206.db2.gz GSDYNPHOCNAURM-NSHDSACASA-N 0 3 292.339 1.244 20 5 CDBDHN COc1ccc(CN(C)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000593110705 342769578 /nfs/dbraw/zinc/76/95/78/342769578.db2.gz ZFWFYTWLOLXEQW-JTQLQIEISA-N 0 3 268.313 1.806 20 5 CDBDHN O=[N+]([O-])c1cc(CNCC[C@@]2(O)CCCOC2)cs1 ZINC000593690995 342823438 /nfs/dbraw/zinc/82/34/38/342823438.db2.gz GVLGSJWQQHGXQK-LBPRGKRZSA-N 0 3 286.353 1.678 20 5 CDBDHN O=C1C[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1 ZINC000595351029 343045940 /nfs/dbraw/zinc/04/59/40/343045940.db2.gz DVZBZIYFCNPAHC-GFCCVEGCSA-N 0 3 289.335 1.695 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000457207805 365708650 /nfs/dbraw/zinc/70/86/50/365708650.db2.gz AQSMIHUPOBWCGV-UHFFFAOYSA-N 0 3 268.317 1.003 20 5 CDBDHN CN(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000515178589 362085573 /nfs/dbraw/zinc/08/55/73/362085573.db2.gz VBOSQUWEZHWGJS-STQMWFEESA-N 0 3 299.758 1.355 20 5 CDBDHN C[C@H](NCCn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000268814360 365736950 /nfs/dbraw/zinc/73/69/50/365736950.db2.gz JURBDYRTZXWOQF-JTQLQIEISA-N 0 3 261.285 1.537 20 5 CDBDHN O=c1[n-]ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596104644 343228227 /nfs/dbraw/zinc/22/82/27/343228227.db2.gz KCYGOSBJNMQMML-SNVBAGLBSA-N 0 3 278.312 1.370 20 5 CDBDHN CC(C)[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1C ZINC000596205296 343265226 /nfs/dbraw/zinc/26/52/26/343265226.db2.gz HYLZWQFQQWIDNC-LLVKDONJSA-N 0 3 280.328 1.472 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000457224425 365791969 /nfs/dbraw/zinc/79/19/69/365791969.db2.gz REQKUOLFBIXGNQ-UHFFFAOYSA-N 0 3 279.340 1.594 20 5 CDBDHN CCN(Cc1ccoc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304343599 349831928 /nfs/dbraw/zinc/83/19/28/349831928.db2.gz ZRBXAJMTLYEKJT-CYBMUJFWSA-N 0 3 294.311 1.267 20 5 CDBDHN COC[C@@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000382579786 362257356 /nfs/dbraw/zinc/25/73/56/362257356.db2.gz XGBOCNNWLOYVFO-GWCFXTLKSA-N 0 3 268.313 1.643 20 5 CDBDHN C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C ZINC000262840764 362298465 /nfs/dbraw/zinc/29/84/65/362298465.db2.gz RFRNKBGSPNCRAA-YUMQZZPRSA-N 0 3 253.258 1.010 20 5 CDBDHN CC(C)(O)C1CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602688619 344532441 /nfs/dbraw/zinc/53/24/41/344532441.db2.gz MGCCMAFSLGKQQD-UHFFFAOYSA-N 0 3 264.325 1.840 20 5 CDBDHN COC1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602806534 344615090 /nfs/dbraw/zinc/61/50/90/344615090.db2.gz VGWNMURKCMGDLK-UHFFFAOYSA-N 0 3 282.344 1.601 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000602849831 344626048 /nfs/dbraw/zinc/62/60/48/344626048.db2.gz AXYWAZDVTZXTPU-NEPJUHHUSA-N 0 3 280.328 1.211 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](OC(C)C)C1 ZINC000602864137 344637876 /nfs/dbraw/zinc/63/78/76/344637876.db2.gz MWOUGQNIEXDNDW-CYBMUJFWSA-N 0 3 296.371 1.989 20 5 CDBDHN O=[N+]([O-])c1c(NC[C@H]2CSCCN2)nc2sccn21 ZINC000603419631 344807638 /nfs/dbraw/zinc/80/76/38/344807638.db2.gz ORGQKHAXEKONKZ-ZETCQYMHSA-N 0 3 299.381 1.421 20 5 CDBDHN Cc1ccnc(NC[C@H]2CSCCN2)c1[N+](=O)[O-] ZINC000603418586 344807676 /nfs/dbraw/zinc/80/76/76/344807676.db2.gz GVUCMLRNWWHLFF-VIFPVBQESA-N 0 3 268.342 1.415 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](O)CC1 ZINC000293072366 362522397 /nfs/dbraw/zinc/52/23/97/362522397.db2.gz JBQQCILTUQOPEU-GFCCVEGCSA-N 0 3 280.324 1.820 20 5 CDBDHN COc1cc(C[NH2+]C[C@@]2(C)CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000344374082 362575346 /nfs/dbraw/zinc/57/53/46/362575346.db2.gz UABRQQOVLBKHQD-CQSZACIVSA-N 0 3 296.323 1.825 20 5 CDBDHN C[C@@H]1CCCN(CCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273245639 192086812 /nfs/dbraw/zinc/08/68/12/192086812.db2.gz ZLGKHTGOZWRSPE-SNVBAGLBSA-N 0 3 265.317 1.529 20 5 CDBDHN CN(C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265901583 362624275 /nfs/dbraw/zinc/62/42/75/362624275.db2.gz ULYHAFBVSHHGIC-UHFFFAOYSA-N 0 3 279.340 1.550 20 5 CDBDHN COC(=O)CCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC000090692837 347818292 /nfs/dbraw/zinc/81/82/92/347818292.db2.gz HVCTVBKMENPCSH-UHFFFAOYSA-N 0 3 267.285 1.688 20 5 CDBDHN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000086468337 179299938 /nfs/dbraw/zinc/29/99/38/179299938.db2.gz PSMLWQAEGOEAGW-GHMZBOCLSA-N 0 3 277.324 1.346 20 5 CDBDHN CN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273382012 192132520 /nfs/dbraw/zinc/13/25/20/192132520.db2.gz INMSOBUEMBJBSA-UHFFFAOYSA-N 0 3 270.264 1.417 20 5 CDBDHN C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000061362681 349993481 /nfs/dbraw/zinc/99/34/81/349993481.db2.gz KLRULWJESAYEPX-SKDRFNHKSA-N 0 3 296.352 1.565 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1NCCCN1CCC(O)CC1 ZINC000060378725 348475806 /nfs/dbraw/zinc/47/58/06/348475806.db2.gz IVFHUDKHNHVBLA-UHFFFAOYSA-N 0 3 297.330 1.993 20 5 CDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(C2CC2)C1 ZINC000067703491 349033790 /nfs/dbraw/zinc/03/37/90/349033790.db2.gz AYBPEKGUYMLVBJ-LBPRGKRZSA-N 0 3 289.335 1.490 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3CCCO3)C2)nc1 ZINC000072665026 349128252 /nfs/dbraw/zinc/12/82/52/349128252.db2.gz CYCUINWRZBJZFE-YPMHNXCESA-N 0 3 292.339 1.655 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](O)C1 ZINC000074313417 349211083 /nfs/dbraw/zinc/21/10/83/349211083.db2.gz WWXBNGOHZQIDFL-LBPRGKRZSA-N 0 3 293.323 1.298 20 5 CDBDHN COC[C@@H](O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090950122 180071582 /nfs/dbraw/zinc/07/15/82/180071582.db2.gz IJPVSBLEQBAVIZ-NEPJUHHUSA-N 0 3 282.340 1.951 20 5 CDBDHN COc1cc(C(=O)NC[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000110652832 186310517 /nfs/dbraw/zinc/31/05/17/186310517.db2.gz ORGDCFJIDFKHEZ-JTQLQIEISA-N 0 3 293.323 1.285 20 5 CDBDHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)NC1CC1 ZINC000036782522 363027932 /nfs/dbraw/zinc/02/79/32/363027932.db2.gz LQHMXPNHWGRURM-UHFFFAOYSA-N 0 3 263.297 1.006 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000454355780 252344239 /nfs/dbraw/zinc/34/42/39/252344239.db2.gz MHNDOZMKTWPTCV-SNVBAGLBSA-N 0 3 280.328 1.478 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)CN2CCCCC2)n1 ZINC000121337611 186966601 /nfs/dbraw/zinc/96/66/01/186966601.db2.gz OTJREOVIYWWMRH-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN CCOc1ccc([C@@H](C)NCCO)cc1[N+](=O)[O-] ZINC000152630578 188033759 /nfs/dbraw/zinc/03/37/59/188033759.db2.gz MLVDBADVJWEMND-SECBINFHSA-N 0 3 254.286 1.636 20 5 CDBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152741121 188040322 /nfs/dbraw/zinc/04/03/22/188040322.db2.gz FPYNCBLWFVTAMQ-UHFFFAOYSA-N 0 3 285.731 1.882 20 5 CDBDHN Cc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000155045495 188178160 /nfs/dbraw/zinc/17/81/60/188178160.db2.gz XFAZVCSRGZDVCH-LBPRGKRZSA-N 0 3 277.324 1.601 20 5 CDBDHN C[C@@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000157703681 188334004 /nfs/dbraw/zinc/33/40/04/188334004.db2.gz YLFFAFXWQSIQDR-SECBINFHSA-N 0 3 263.297 1.433 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CC[C@@H](CO)O1 ZINC000573338162 363346595 /nfs/dbraw/zinc/34/65/95/363346595.db2.gz FOIZWVMHFOOLJI-UHIISALHSA-N 0 3 292.335 1.712 20 5 CDBDHN N[C@H](CC(F)F)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000336808355 356273092 /nfs/dbraw/zinc/27/30/92/356273092.db2.gz BQXBTMKDZHEPFO-MRVPVSSYSA-N 0 3 273.239 1.194 20 5 CDBDHN Cc1cccc(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000047829425 357165663 /nfs/dbraw/zinc/16/56/63/357165663.db2.gz LUBDMCWTTVGBNZ-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000590344389 357260416 /nfs/dbraw/zinc/26/04/16/357260416.db2.gz ILFYJXQJZWABCD-LLVKDONJSA-N 0 3 294.355 1.490 20 5 CDBDHN C[C@@H]1CCC[C@@H](CO)N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383908 357340883 /nfs/dbraw/zinc/34/08/83/357340883.db2.gz LOHWALSBRKXTRD-UGFHNGPFSA-N 0 3 294.351 1.864 20 5 CDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000264607803 357443224 /nfs/dbraw/zinc/44/32/24/357443224.db2.gz DLNYBSHCEJVBBO-UHFFFAOYSA-N 0 3 250.302 1.522 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)[C@H]2CCOC2)c(F)c1 ZINC000360763375 357683685 /nfs/dbraw/zinc/68/36/85/357683685.db2.gz JVEABCRBXUKZFS-NWDGAFQWSA-N 0 3 298.314 1.469 20 5 CDBDHN C[C@@H](NCCN(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294384168 199019593 /nfs/dbraw/zinc/01/95/93/199019593.db2.gz RNSJNFFGLVQIRM-SECBINFHSA-N 0 3 252.318 1.389 20 5 CDBDHN COc1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1[O-] ZINC000188853784 357945128 /nfs/dbraw/zinc/94/51/28/357945128.db2.gz SOJRQIMTXZTXGJ-MWLCHTKSSA-N 0 3 296.323 1.560 20 5 CDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408122669 358164444 /nfs/dbraw/zinc/16/44/44/358164444.db2.gz YPVOEYINEIWFRB-GXFFZTMASA-N 0 3 292.339 1.622 20 5 CDBDHN COc1cc(CNCCCCCO)c([N+](=O)[O-])cc1OC ZINC000192902514 358248117 /nfs/dbraw/zinc/24/81/17/358248117.db2.gz FDJPKIUWDCFWDB-UHFFFAOYSA-N 0 3 298.339 1.864 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN(C)C ZINC000119933387 359044614 /nfs/dbraw/zinc/04/46/14/359044614.db2.gz PRDIPWULADJTHY-UHFFFAOYSA-N 0 3 280.328 1.895 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000305162823 359050561 /nfs/dbraw/zinc/05/05/61/359050561.db2.gz XLIPCNMVONFRTM-YPMHNXCESA-N 0 3 281.356 1.476 20 5 CDBDHN Cc1cc(NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000338341610 359120554 /nfs/dbraw/zinc/12/05/54/359120554.db2.gz HETAYEQCGUECSZ-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN CN1C[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000338950727 359238471 /nfs/dbraw/zinc/23/84/71/359238471.db2.gz DYSHXEOQEOEQNM-TXNVCOODSA-N 0 3 275.308 1.428 20 5 CDBDHN CN[C@@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000571461665 359577064 /nfs/dbraw/zinc/57/70/64/359577064.db2.gz MGFUPXCASUXMMS-JTQLQIEISA-N 0 3 277.324 1.694 20 5 CDBDHN Cc1c[nH]nc1CNCCc1ccccc1[N+](=O)[O-] ZINC000289638473 359657282 /nfs/dbraw/zinc/65/72/82/359657282.db2.gz XLAMLZBINJZTHW-UHFFFAOYSA-N 0 3 260.297 1.959 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2scnc2C2CC2)c1 ZINC000487331583 359960452 /nfs/dbraw/zinc/96/04/52/359960452.db2.gz XVQQGEDIEIDKGN-UHFFFAOYSA-N 0 3 293.352 1.915 20 5 CDBDHN CN(C)CCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000177682732 189063485 /nfs/dbraw/zinc/06/34/85/189063485.db2.gz ZCJWWEBKQQCSTF-UHFFFAOYSA-N 0 3 285.731 1.882 20 5 CDBDHN COCCNCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162840729 360532800 /nfs/dbraw/zinc/53/28/00/360532800.db2.gz DTYXBQCWJMCZCZ-NSHDSACASA-N 0 3 295.339 1.316 20 5 CDBDHN C[C@@]1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178020205 189086158 /nfs/dbraw/zinc/08/61/58/189086158.db2.gz XZOXXOWUVFQLQL-CYBMUJFWSA-N 0 3 266.297 1.430 20 5 CDBDHN O=[N+]([O-])c1cnc2ccc(NCCN3CCCCC3)nn21 ZINC000301948260 201272106 /nfs/dbraw/zinc/27/21/06/201272106.db2.gz YLYQKMUAEPSYGU-UHFFFAOYSA-N 0 3 290.327 1.535 20 5 CDBDHN C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000267936903 363913114 /nfs/dbraw/zinc/91/31/14/363913114.db2.gz HTDCYTZDHFCVCT-NSHDSACASA-N 0 3 279.340 1.594 20 5 CDBDHN CN(C)CCN(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270476422 366887604 /nfs/dbraw/zinc/88/76/04/366887604.db2.gz HZHDHZDHJVZUBB-UHFFFAOYSA-N 0 3 294.355 1.340 20 5 CDBDHN C[C@@H](O)[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634750 367785848 /nfs/dbraw/zinc/78/58/48/367785848.db2.gz WTSZOZJRJNGILX-VXGBXAGGSA-N 0 3 280.324 1.676 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000170802734 369273525 /nfs/dbraw/zinc/27/35/25/369273525.db2.gz CQCKPWLWJYRMOU-LLVKDONJSA-N 0 3 292.339 1.464 20 5 CDBDHN CC[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766541 370079348 /nfs/dbraw/zinc/07/93/48/370079348.db2.gz QNTLMENDYYIIBQ-KWQFWETISA-N 0 3 251.286 1.509 20 5 CDBDHN CCC[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766539 370079474 /nfs/dbraw/zinc/07/94/74/370079474.db2.gz YXMFVAFOOVEBCS-SKDRFNHKSA-N 0 3 265.313 1.899 20 5 CDBDHN CN(CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000299287019 370272328 /nfs/dbraw/zinc/27/23/28/370272328.db2.gz XOGVQZNYACPHHR-UHFFFAOYSA-N 0 3 278.312 1.811 20 5 CDBDHN C[C@H]1NCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000277543013 193686672 /nfs/dbraw/zinc/68/66/72/193686672.db2.gz XDFYYPHTWIGBMQ-IDDPWSFUSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000027758872 374293444 /nfs/dbraw/zinc/29/34/44/374293444.db2.gz YCPXTFIPRRBAEX-LLVKDONJSA-N 0 3 294.355 1.538 20 5 CDBDHN CC(C)[C@H]1CN(C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000425488483 374441381 /nfs/dbraw/zinc/44/13/81/374441381.db2.gz XAPFCLJBNQVCEV-GFCCVEGCSA-N 0 3 281.360 1.063 20 5 CDBDHN CC1(C)C[C@@H](NCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279089959 374873371 /nfs/dbraw/zinc/87/33/71/374873371.db2.gz NHDJODHSXQUBNS-GFCCVEGCSA-N 0 3 250.298 1.899 20 5 CDBDHN COc1ccc(CNC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000019998308 374834846 /nfs/dbraw/zinc/83/48/46/374834846.db2.gz HMZMQNHLXSDFNG-NSHDSACASA-N 0 3 266.297 1.872 20 5 CDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000332696557 375045619 /nfs/dbraw/zinc/04/56/19/375045619.db2.gz WJWITNAAXZTPBC-VIFPVBQESA-N 0 3 266.301 1.089 20 5 CDBDHN CSCC[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000131103875 375168499 /nfs/dbraw/zinc/16/84/99/375168499.db2.gz YAXNIYILJIXMEX-GFCCVEGCSA-N 0 3 297.380 1.334 20 5 CDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000352112617 375353744 /nfs/dbraw/zinc/35/37/44/375353744.db2.gz UZNCLDSJTZYGLE-AWEZNQCLSA-N 0 3 295.339 1.027 20 5 CDBDHN CC[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)N1CCCC1 ZINC000296285747 375408297 /nfs/dbraw/zinc/40/82/97/375408297.db2.gz HMTYKYSGVICQDJ-LLVKDONJSA-N 0 3 279.344 1.980 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCCOCCO ZINC000227332655 375504057 /nfs/dbraw/zinc/50/40/57/375504057.db2.gz YVSZAYANEMMLJP-UHFFFAOYSA-N 0 3 254.286 1.083 20 5 CDBDHN COC[C@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000227705074 375595538 /nfs/dbraw/zinc/59/55/38/375595538.db2.gz IDBHANZVPRNEIH-NSHDSACASA-N 0 3 284.312 1.354 20 5 CDBDHN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCCN(C)C1 ZINC000357403924 375905221 /nfs/dbraw/zinc/90/52/21/375905221.db2.gz WBGIZLQNOMDCMX-SECBINFHSA-N 0 3 266.301 1.089 20 5 CDBDHN CS[C@H](CO)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000219065108 375944412 /nfs/dbraw/zinc/94/44/12/375944412.db2.gz IQPAOXVUQXKRPY-BXKDBHETSA-N 0 3 270.354 1.797 20 5 CDBDHN C[C@H](NC1CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000296485781 376303571 /nfs/dbraw/zinc/30/35/71/376303571.db2.gz QGNBTCMFZJDQGE-JTQLQIEISA-N 0 3 277.324 1.394 20 5 CDBDHN COCCN1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000266844428 377560211 /nfs/dbraw/zinc/56/02/11/377560211.db2.gz OGMINWNVMHCFDO-NSHDSACASA-N 0 3 280.328 1.431 20 5 CDBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(C)C1 ZINC000173306796 378123237 /nfs/dbraw/zinc/12/32/37/378123237.db2.gz SAOXFUBZTSJZEE-CQSZACIVSA-N 0 3 291.351 1.690 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCOCCN(C)C ZINC000446292967 250283803 /nfs/dbraw/zinc/28/38/03/250283803.db2.gz LHPZYMJZFWWNAL-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN CN1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174712647 379556128 /nfs/dbraw/zinc/55/61/28/379556128.db2.gz TVDVOJYQYBEQMS-UHFFFAOYSA-N 0 3 277.324 1.553 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCN1CCNC1=O ZINC000288563487 197113208 /nfs/dbraw/zinc/11/32/08/197113208.db2.gz AEVVMXGMQOTHPA-UHFFFAOYSA-N 0 3 292.339 1.094 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491881714 253111221 /nfs/dbraw/zinc/11/12/21/253111221.db2.gz BPVMKXPEYFQQFB-DEBLGDTFSA-N 0 3 289.335 1.818 20 5 CDBDHN COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])cc1[O-] ZINC000513504617 254116473 /nfs/dbraw/zinc/11/64/73/254116473.db2.gz DSZJRJDOAJDCFN-XYPYZODXSA-N 0 3 296.323 1.702 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H](CO)CN2CCCCC2)cc1 ZINC000288832417 197175914 /nfs/dbraw/zinc/17/59/14/197175914.db2.gz BUEBUHONVSMRMV-CYBMUJFWSA-N 0 3 279.340 1.854 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)CCN(C)C ZINC000288787396 197166028 /nfs/dbraw/zinc/16/60/28/197166028.db2.gz FPRDADGQWXKUJS-UHFFFAOYSA-N 0 3 255.322 1.117 20 5 CDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN(C)C ZINC000281233154 195159343 /nfs/dbraw/zinc/15/93/43/195159343.db2.gz SHICJOUIHTXPKB-UHFFFAOYSA-N 0 3 281.312 1.285 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)C1 ZINC000450951436 390584222 /nfs/dbraw/zinc/58/42/22/390584222.db2.gz PQGHJLQEGUDEAS-GFCCVEGCSA-N 0 3 264.329 1.909 20 5 CDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)CN1 ZINC000235659248 390906006 /nfs/dbraw/zinc/90/60/06/390906006.db2.gz BYBJJHRLYRUXBD-YUMQZZPRSA-N 0 3 270.720 1.830 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000411094292 390965809 /nfs/dbraw/zinc/96/58/09/390965809.db2.gz FZMKBQCQJXYOSP-UHFFFAOYSA-N 0 3 265.313 1.665 20 5 CDBDHN CCC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000236810510 391272421 /nfs/dbraw/zinc/27/24/21/391272421.db2.gz GIQIGFJRBGEKFP-NSHDSACASA-N 0 3 263.297 1.611 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000268294142 391313135 /nfs/dbraw/zinc/31/31/35/391313135.db2.gz ZXTAGFUTIVEWGF-LDYMZIIASA-N 0 3 278.312 1.135 20 5 CDBDHN C[C@H](O)CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190829294 130151847 /nfs/dbraw/zinc/15/18/47/130151847.db2.gz IGXFVMYHOGTDQG-RYUDHWBXSA-N 0 3 298.339 1.037 20 5 CDBDHN CN(C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000416309696 391985097 /nfs/dbraw/zinc/98/50/97/391985097.db2.gz WNWQARWWDATEQL-UHFFFAOYSA-N 0 3 295.314 1.487 20 5 CDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CNCCC1(F)F ZINC000591674060 391981465 /nfs/dbraw/zinc/98/14/65/391981465.db2.gz DWZPDEWFGHNKLU-LLVKDONJSA-N 0 3 299.277 1.456 20 5 CDBDHN Cc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262735298 131257221 /nfs/dbraw/zinc/25/72/21/131257221.db2.gz CHLLICAQVAZUHA-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])N1CCCNCC1 ZINC000417766427 392874512 /nfs/dbraw/zinc/87/45/12/392874512.db2.gz PDVYZWTVYGJFLX-UHFFFAOYSA-N 0 3 292.339 1.142 20 5 CDBDHN CC(C)N(CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000421001945 392925937 /nfs/dbraw/zinc/92/59/37/392925937.db2.gz QGIOAIVPSQFZAJ-AWEZNQCLSA-N 0 3 282.340 1.201 20 5 CDBDHN Cc1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000272188309 393014217 /nfs/dbraw/zinc/01/42/17/393014217.db2.gz LQHAAXULGDHQDB-AAEUAGOBSA-N 0 3 276.340 1.829 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@](C)(C(N)=O)C1 ZINC000430246368 393094958 /nfs/dbraw/zinc/09/49/58/393094958.db2.gz ROMBWOPGDGXTRU-AWEZNQCLSA-N 0 3 293.323 1.301 20 5 CDBDHN Cc1cc(N2CCN(C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275431939 135106994 /nfs/dbraw/zinc/10/69/94/135106994.db2.gz VLHNSDWKNXXYJO-CHWSQXEVSA-N 0 3 293.367 1.795 20 5 CDBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccccc1[N+](=O)[O-] ZINC000227979702 140189567 /nfs/dbraw/zinc/18/95/67/140189567.db2.gz QBTNXNSHXGVIFB-GXFFZTMASA-N 0 3 266.297 1.224 20 5 CDBDHN Cc1cccc(NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000235892300 140237516 /nfs/dbraw/zinc/23/75/16/140237516.db2.gz RTUWZURFTVXEQK-JTQLQIEISA-N 0 3 251.286 1.304 20 5 CDBDHN CCC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236833049 140247035 /nfs/dbraw/zinc/24/70/35/140247035.db2.gz XJGXVKCXOCCKQL-ZDUSSCGKSA-N 0 3 277.324 1.607 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CN3CCC[C@H]3CO2)cs1 ZINC000252667940 140321585 /nfs/dbraw/zinc/32/15/85/140321585.db2.gz QEZJHSUECBHFMO-NWDGAFQWSA-N 0 3 297.380 1.609 20 5 CDBDHN COCC[C@@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000312171626 149228639 /nfs/dbraw/zinc/22/86/39/149228639.db2.gz VLKIKRIGZFUMMF-AAEUAGOBSA-N 0 3 282.340 1.951 20 5 CDBDHN CCN1C[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000346169318 153081318 /nfs/dbraw/zinc/08/13/18/153081318.db2.gz QDLYOABGADIPCL-RYUDHWBXSA-N 0 3 281.360 1.206 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000359839003 158394876 /nfs/dbraw/zinc/39/48/76/158394876.db2.gz XCZBFRAQXXVVTN-AWEZNQCLSA-N 0 3 280.324 1.221 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362073902 159060406 /nfs/dbraw/zinc/06/04/06/159060406.db2.gz AKMZNZLODATKNV-VXGBXAGGSA-N 0 3 280.324 1.534 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C(N)=O)C1 ZINC000280805069 287152595 /nfs/dbraw/zinc/15/25/95/287152595.db2.gz SMGMEHRUQAKZJX-IINYFYTJSA-N 0 3 277.324 1.853 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676253 174373631 /nfs/dbraw/zinc/37/36/31/174373631.db2.gz AYZCJNKQXVUTTH-ZWNOBZJWSA-N 0 3 279.340 1.627 20 5 CDBDHN CCC[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676271 174373815 /nfs/dbraw/zinc/37/38/15/174373815.db2.gz VLWQICUBSFMERT-LBPRGKRZSA-N 0 3 265.313 1.381 20 5 CDBDHN COc1ccc(NC(=O)[C@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000399125013 270368144 /nfs/dbraw/zinc/36/81/44/270368144.db2.gz RMSOXWYYWNCYGL-GFCCVEGCSA-N 0 3 279.296 1.669 20 5 CDBDHN CC[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000089306551 276543414 /nfs/dbraw/zinc/54/34/14/276543414.db2.gz ZTPWFCUPKLRINW-CYBMUJFWSA-N 0 3 279.340 1.594 20 5 CDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344649662 277040199 /nfs/dbraw/zinc/04/01/99/277040199.db2.gz UYNASZNUOSHOKP-LBPRGKRZSA-N 0 3 294.355 1.773 20 5 CDBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@H]2C1 ZINC000286576124 277178292 /nfs/dbraw/zinc/17/82/92/277178292.db2.gz RZNYANPUSVHZQW-CABZTGNLSA-N 0 3 294.330 1.847 20 5 CDBDHN C[C@H](CN1CCCC1=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037783002 278184714 /nfs/dbraw/zinc/18/47/14/278184714.db2.gz JVKGPBKANVJALC-LLVKDONJSA-N 0 3 277.324 1.695 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCN(C)C1 ZINC000091557151 279286774 /nfs/dbraw/zinc/28/67/74/279286774.db2.gz FNIGVJUSPZTHHG-LLVKDONJSA-N 0 3 281.360 1.873 20 5 CDBDHN C[C@H](NC(=O)NC[C@H](C)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000455100501 279438857 /nfs/dbraw/zinc/43/88/57/279438857.db2.gz GZIBIUMOZDDHKX-QWRGUYRKSA-N 0 3 294.355 1.905 20 5 CDBDHN C[C@H](NC[C@@H](O)Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000296536945 279474763 /nfs/dbraw/zinc/47/47/63/279474763.db2.gz DSTDWFOQPYUMOM-SMDDNHRTSA-N 0 3 290.323 1.503 20 5 CDBDHN C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CCN1 ZINC000029340632 279883761 /nfs/dbraw/zinc/88/37/61/279883761.db2.gz WIRIBEHWECMIRC-JTQLQIEISA-N 0 3 272.308 1.941 20 5 in-vivo CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245597930 280223245 /nfs/dbraw/zinc/22/32/45/280223245.db2.gz SVCGOLMPXGARML-MNOVXSKESA-N 0 3 265.313 1.487 20 5 CDBDHN Cc1cc(C(=O)N2CCCNCC2)cc([N+](=O)[O-])c1 ZINC000135214442 280325215 /nfs/dbraw/zinc/32/52/15/280325215.db2.gz OCOKWYZYNTUBPK-UHFFFAOYSA-N 0 3 263.297 1.339 20 5 CDBDHN C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000562399958 293151449 /nfs/dbraw/zinc/15/14/49/293151449.db2.gz AXWJZLFZNGDLJD-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](N3CCCC3)C2)c(F)c1 ZINC000563312090 293339116 /nfs/dbraw/zinc/33/91/16/293339116.db2.gz UYQTWROFZCAMMJ-SNVBAGLBSA-N 0 3 280.303 1.803 20 5 CDBDHN C[C@@H](CC(N)=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565491003 293623249 /nfs/dbraw/zinc/62/32/49/293623249.db2.gz JSZXFFRWEITTTA-GZMMTYOYSA-N 0 3 263.297 1.436 20 5 CDBDHN O=[N+]([O-])c1ccccc1N[C@H](CO)CN1CCCCC1 ZINC000288888988 304808318 /nfs/dbraw/zinc/80/83/18/304808318.db2.gz HIOSKBLVHVTVID-LBPRGKRZSA-N 0 3 279.340 1.854 20 5 CDBDHN CC(C)[C@]1(CO)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000368067824 519830373 /nfs/dbraw/zinc/83/03/73/519830373.db2.gz BGJRMAJAVXZEFS-CYBMUJFWSA-N 0 3 282.344 1.132 20 5 CDBDHN CO[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000363673682 523972826 /nfs/dbraw/zinc/97/28/26/523972826.db2.gz LMGGXQVSCVIHLT-ZDUSSCGKSA-N 0 3 295.339 1.257 20 5 CDBDHN NC(C(=O)NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000353128617 527382944 /nfs/dbraw/zinc/38/29/44/527382944.db2.gz KZJMARSTEFJTNJ-MRVPVSSYSA-N 0 3 277.202 1.101 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](CO)C3CC3)nc2c1 ZINC000769794058 575385010 /nfs/dbraw/zinc/38/50/10/575385010.db2.gz GACYZWNDRTZRPA-GFCCVEGCSA-N 0 3 276.296 1.332 20 5 CDBDHN Cn1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000763474460 576738512 /nfs/dbraw/zinc/73/85/12/576738512.db2.gz YOHNUQVNPMJYSE-AWEZNQCLSA-N 0 3 275.308 1.757 20 5 CDBDHN CCN1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1C ZINC000754080362 576878267 /nfs/dbraw/zinc/87/82/67/576878267.db2.gz UIRQGWITQNQCMH-VIFPVBQESA-N 0 3 291.311 1.661 20 5 CDBDHN CCOCCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892478907 617406973 /nfs/dbraw/zinc/40/69/73/617406973.db2.gz SISYJKQRSZDZHD-UHFFFAOYSA-N 0 3 284.312 1.825 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1N1CC[C@H](N2CCCCC2)C1 ZINC000892409474 618163713 /nfs/dbraw/zinc/16/37/13/618163713.db2.gz FQANYJLHQMCCEW-NSHDSACASA-N 0 3 279.344 1.393 20 5 CDBDHN COc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CCCN1C ZINC000894250708 618756639 /nfs/dbraw/zinc/75/66/39/618756639.db2.gz AXYGHOBCIBXMDP-SNVBAGLBSA-N 0 3 280.328 1.529 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2COCO2)cc1Cl ZINC000894878313 619115239 /nfs/dbraw/zinc/11/52/39/619115239.db2.gz ANPRIESFQQDERK-VIFPVBQESA-N 0 3 272.688 1.711 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCN1C ZINC000903314842 625970131 /nfs/dbraw/zinc/97/01/31/625970131.db2.gz CDQYXYYWWGFDFM-ZYHUDNBSSA-N 0 3 279.340 1.958 20 5 CDBDHN CC[C@H](CNCC[N+](=O)[O-])Oc1cccc(F)c1 ZINC000905158131 626640691 /nfs/dbraw/zinc/64/06/91/626640691.db2.gz DPYNCMWJVRJGOR-LLVKDONJSA-N 0 3 256.277 1.849 20 5 CDBDHN COc1ccc(C[C@@H](C)N2CC(N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170326678 1162337580 /nfs/dbraw/zinc/33/75/80/1162337580.db2.gz BNQBHEHERSSTGW-LLVKDONJSA-N 0 3 293.367 1.780 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H](CO)[C@H](CO)C1 ZINC000877764731 1166095458 /nfs/dbraw/zinc/09/54/58/1166095458.db2.gz NJKRPXSNADXYOE-DRYSKOCLSA-N 0 3 292.335 1.141 20 5 CDBDHN C[C@@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CNCCO1 ZINC001576516847 1171445116 /nfs/dbraw/zinc/44/51/16/1171445116.db2.gz UXOWZPUCMIXVMS-ZDUSSCGKSA-N 0 3 294.311 1.095 20 5 CDBDHN CC(C)CC[C@@H](N)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001575560949 1167650468 /nfs/dbraw/zinc/65/04/68/1167650468.db2.gz QQVILXLBABEINM-LLVKDONJSA-N 0 3 280.328 1.879 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@](C)(O)C1 ZINC001173221423 912304201 /nfs/dbraw/zinc/30/42/01/912304201.db2.gz IHOZSAHFMDOSII-DOMZBBRYSA-N 0 3 294.351 1.609 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(CO)C1 ZINC001173228341 912319648 /nfs/dbraw/zinc/31/96/48/912319648.db2.gz VASYLKUHMPGAGR-JTQLQIEISA-N 0 3 250.298 1.450 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C(=O)N(C)C)C1 ZINC001173227060 912320736 /nfs/dbraw/zinc/32/07/36/912320736.db2.gz NEBYAGRSSRBKPQ-NSHDSACASA-N 0 3 291.351 1.546 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NCc1cncnc1)CNC2 ZINC001167266145 894998723 /nfs/dbraw/zinc/99/87/23/894998723.db2.gz LXBLUIHSDQFMIO-UHFFFAOYSA-N 0 3 271.280 1.600 20 5 CDBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCN1C ZINC000695903000 900071346 /nfs/dbraw/zinc/07/13/46/900071346.db2.gz DWIQOAHNSXZADL-FZMZJTMJSA-N 0 3 278.356 1.641 20 5 CDBDHN O=C(CCO)CN[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912722 912102772 /nfs/dbraw/zinc/10/27/72/912102772.db2.gz OQQQMZMDZGWBOV-ZDUSSCGKSA-N 0 3 292.335 1.383 20 5 CDBDHN O=C(/C=C\C1CC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125236963 936358577 /nfs/dbraw/zinc/35/85/77/936358577.db2.gz MVVCSJIDJPVEKA-SREVYHEPSA-N 0 3 289.335 1.767 20 5 CDBDHN CC(COC(=O)c1cccc(Cn2ccnc2)c1)[N+](=O)[O-] ZINC000835454981 936734557 /nfs/dbraw/zinc/73/45/57/936734557.db2.gz LURZHXIPQFUQOC-LLVKDONJSA-N 0 3 289.291 1.753 20 5 CDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1cccnc1)[N+](=O)[O-] ZINC000835454973 936734638 /nfs/dbraw/zinc/73/46/38/936734638.db2.gz LRDTXCIFYYRHAB-INTQDDNPSA-N 0 3 250.254 1.394 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NC2(c3cccnn3)CC2)C1 ZINC001168973298 927597538 /nfs/dbraw/zinc/59/75/38/927597538.db2.gz NTBGAXNDHAXFBH-WDEREUQCSA-N 0 3 262.313 1.501 20 5 CDBDHN CO[C@@H](C)C(=N)NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853674101 928073407 /nfs/dbraw/zinc/07/34/07/928073407.db2.gz RLTCKCUDTXXRIO-LURJTMIESA-N 0 3 289.238 1.906 20 5 CDBDHN CC(COC(=O)[C@@]1(C)COc2ccccc2O1)[N+](=O)[O-] ZINC000860777025 929198230 /nfs/dbraw/zinc/19/82/30/929198230.db2.gz JHNGULROHCSUAB-TVQRCGJNSA-N 0 3 281.264 1.425 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](CF)C2)c1 ZINC000880296747 929646503 /nfs/dbraw/zinc/64/65/03/929646503.db2.gz FYXKSMBIGBXXRW-GWCFXTLKSA-N 0 3 268.288 1.920 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000795550610 934867073 /nfs/dbraw/zinc/86/70/73/934867073.db2.gz HNTYOTLKPBDLGO-IUODEOHRSA-N 0 3 292.335 1.597 20 5 CDBDHN Cc1cc(NC(=O)[C@H](N)CC(F)F)cc([N+](=O)[O-])c1 ZINC001122599571 937944556 /nfs/dbraw/zinc/94/45/56/937944556.db2.gz NWRFRSPAAQIJIR-SECBINFHSA-N 0 3 273.239 1.824 20 5 CDBDHN NCc1cn(-c2nc3c(cc2[N+](=O)[O-])CCCC3)cn1 ZINC001162299006 938974340 /nfs/dbraw/zinc/97/43/40/938974340.db2.gz VONRSFZECINGPW-UHFFFAOYSA-N 0 3 273.296 1.513 20 5 CDBDHN NCc1ccnn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001162592742 939097360 /nfs/dbraw/zinc/09/73/60/939097360.db2.gz PGYROOGEZXSTLT-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN Cc1cc(CN)nn1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001163988944 939374071 /nfs/dbraw/zinc/37/40/71/939374071.db2.gz WREBUYMSNRIMTN-UHFFFAOYSA-N 0 3 272.268 1.195 20 5 CDBDHN O=[N+]([O-])c1ccc2ncc(-n3cnc4c3CNCC4)nc2c1 ZINC001164310465 939451306 /nfs/dbraw/zinc/45/13/06/939451306.db2.gz UDXLVSBWWOHOEL-UHFFFAOYSA-N 0 3 296.290 1.369 20 5 CDBDHN CC(C)[NH+]1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667118 941897092 /nfs/dbraw/zinc/89/70/92/941897092.db2.gz PSVYLTVAENTILG-UHFFFAOYSA-N 0 3 281.312 1.947 20 5 CDBDHN CC(=O)[C@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608635 947556842 /nfs/dbraw/zinc/55/68/42/947556842.db2.gz RLVLPJMEPYECBU-WFASDCNBSA-N 0 3 274.320 1.973 20 5 CDBDHN N[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1(F)F ZINC001246603315 948338545 /nfs/dbraw/zinc/33/85/45/948338545.db2.gz YLJFOWHDSBKELK-KXUCPTDWSA-N 0 3 263.288 1.100 20 5 CDBDHN CC(COC(=O)[C@]1(C)CCOc2ccccc21)[N+](=O)[O-] ZINC001344809723 964438327 /nfs/dbraw/zinc/43/83/27/964438327.db2.gz YCKYPMBNCQNGGE-QMTHXVAHSA-N 0 3 279.292 1.935 20 5 CDBDHN Cc1cc(Cl)nc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC001344999706 964526378 /nfs/dbraw/zinc/52/63/78/964526378.db2.gz ZTWYZENFPYKLDZ-ZETCQYMHSA-N 0 3 258.661 1.865 20 5 CDBDHN CC(C)CC[C@H](N)C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001575560694 1171203396 /nfs/dbraw/zinc/20/33/96/1171203396.db2.gz LEOYXHAFXNALHF-QMMMGPOBSA-N 0 3 269.305 1.030 20 5 CDBDHN CN1CC[C@@]2(CCN(c3cccnc3[N+](=O)[O-])C2)C1 ZINC000589879246 342516089 /nfs/dbraw/zinc/51/60/89/342516089.db2.gz VPFONTMVOCKYDI-CYBMUJFWSA-N 0 3 262.313 1.522 20 5 CDBDHN CCCN(C)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609316281 342102139 /nfs/dbraw/zinc/10/21/39/342102139.db2.gz PCDOMBWYBYENEJ-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN Cc1ccc(NC(=O)[C@H]2NCC2(C)C)cc1[N+](=O)[O-] ZINC000591672487 342641398 /nfs/dbraw/zinc/64/13/98/342641398.db2.gz CTVAHEMYCJULNY-LLVKDONJSA-N 0 3 263.297 1.840 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000592543886 342708672 /nfs/dbraw/zinc/70/86/72/342708672.db2.gz UQLATLXSJWRUOH-GFCCVEGCSA-N 0 3 295.314 1.804 20 5 CDBDHN CN(CCN1CCCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000593515717 342805503 /nfs/dbraw/zinc/80/55/03/342805503.db2.gz IJVGVTWVWVGRNP-UHFFFAOYSA-N 0 3 264.329 1.912 20 5 CDBDHN CCc1nn(C)c(N(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000593516183 342805519 /nfs/dbraw/zinc/80/55/19/342805519.db2.gz NJNQTYPBUBCIFW-UHFFFAOYSA-N 0 3 295.387 1.813 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1COCCN1)CCC2 ZINC000600707692 342243313 /nfs/dbraw/zinc/24/33/13/342243313.db2.gz ACVNCAAGWGEEPX-WFASDCNBSA-N 0 3 291.351 1.550 20 5 CDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609382333 342263781 /nfs/dbraw/zinc/26/37/81/342263781.db2.gz AOIPJMGGOHCTHI-JTQLQIEISA-N 0 3 278.312 1.137 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCC2)c1 ZINC000046444433 342280861 /nfs/dbraw/zinc/28/08/61/342280861.db2.gz SHPUBNIMGYSIRC-GFCCVEGCSA-N 0 3 266.297 1.430 20 5 CDBDHN Cc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108341277 349736191 /nfs/dbraw/zinc/73/61/91/349736191.db2.gz SFKHRYZYYKRMGS-GFCCVEGCSA-N 0 3 291.351 1.975 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CNC(=O)C1 ZINC000595286673 343023204 /nfs/dbraw/zinc/02/32/04/343023204.db2.gz GBFDUXZDVIJILM-JTQLQIEISA-N 0 3 263.297 1.163 20 5 CDBDHN C[C@H](CO)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000595674542 343129041 /nfs/dbraw/zinc/12/90/41/343129041.db2.gz LERDUMWFLUYKEZ-YPMHNXCESA-N 0 3 282.344 1.274 20 5 CDBDHN COC[C@@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000069911779 342347186 /nfs/dbraw/zinc/34/71/86/342347186.db2.gz NYLIFLKTPGMORW-LBPRGKRZSA-N 0 3 254.286 1.082 20 5 CDBDHN Cc1cc(NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])s1 ZINC000596195061 343254299 /nfs/dbraw/zinc/25/42/99/343254299.db2.gz DTVZNSNHVOJXLJ-NSHDSACASA-N 0 3 271.342 1.443 20 5 CDBDHN CC(C)(C)N1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596337081 343297870 /nfs/dbraw/zinc/29/78/70/343297870.db2.gz UBXYQZCTVYNLMA-MRVPVSSYSA-N 0 3 280.332 1.082 20 5 CDBDHN COC(=O)[C@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000597221396 343484975 /nfs/dbraw/zinc/48/49/75/343484975.db2.gz OTCDQHUPYPKBDK-PHIMTYICSA-N 0 3 294.307 1.645 20 5 CDBDHN CN(CCC(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304265306 529874252 /nfs/dbraw/zinc/87/42/52/529874252.db2.gz AOKFAPQZDUVWET-VIFPVBQESA-N 0 3 296.249 1.036 20 5 CDBDHN CN1CCCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000599139819 343960043 /nfs/dbraw/zinc/96/00/43/343960043.db2.gz QMHBYILCNSMYIB-SECBINFHSA-N 0 3 270.358 1.617 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCNC(=O)C1 ZINC000602550201 344464046 /nfs/dbraw/zinc/46/40/46/344464046.db2.gz KRMOQONKZOFEAU-LLVKDONJSA-N 0 3 293.323 1.362 20 5 CDBDHN Nc1c(F)cccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000602567753 344483847 /nfs/dbraw/zinc/48/38/47/344483847.db2.gz GHEQOSGQLDEEOC-UHFFFAOYSA-N 0 3 279.275 1.302 20 5 CDBDHN Cn1cc(CN2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602623522 344501028 /nfs/dbraw/zinc/50/10/28/344501028.db2.gz HLLGHNJMZFIVMF-MWLCHTKSSA-N 0 3 250.302 1.703 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CCCC[C@@H]1O ZINC000602800993 344590672 /nfs/dbraw/zinc/59/06/72/344590672.db2.gz KJAXIYNYSFHNLB-OLZOCXBDSA-N 0 3 296.371 1.583 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSC(C)(C)C1 ZINC000602781343 344596658 /nfs/dbraw/zinc/59/66/58/344596658.db2.gz SRHDGUPJXZHVJS-UHFFFAOYSA-N 0 3 284.385 1.927 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C1CC1)C1CC1 ZINC000602916477 344648466 /nfs/dbraw/zinc/64/84/66/344648466.db2.gz UVBAFTKBZPPXCR-UHFFFAOYSA-N 0 3 250.302 1.727 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H](O)CC2)c1 ZINC000293133886 362531531 /nfs/dbraw/zinc/53/15/31/362531531.db2.gz NBJRBJOZYNHTNN-ZIAGYGMSSA-N 0 3 280.324 1.475 20 5 CDBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293378073 362555459 /nfs/dbraw/zinc/55/54/59/362555459.db2.gz JRJOGJPUJGWLKB-GXFFZTMASA-N 0 3 268.313 1.331 20 5 CDBDHN CNC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051505298 345161462 /nfs/dbraw/zinc/16/14/62/345161462.db2.gz HGHVAXAFRUINFV-UHFFFAOYSA-N 0 3 291.351 1.861 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000046408777 345640074 /nfs/dbraw/zinc/64/00/74/345640074.db2.gz GYFOFMTYLUOFKA-NSHDSACASA-N 0 3 277.324 1.809 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130080102 346196299 /nfs/dbraw/zinc/19/62/99/346196299.db2.gz SOTUAAYDAUWHSE-LLVKDONJSA-N 0 3 251.286 1.907 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000085362287 179034103 /nfs/dbraw/zinc/03/41/03/179034103.db2.gz ITPAFXVQKWRCKD-UHFFFAOYSA-N 0 3 285.731 1.882 20 5 CDBDHN CS[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000611242379 346716695 /nfs/dbraw/zinc/71/66/95/346716695.db2.gz NWQSSLHQPXLHGG-GHMZBOCLSA-N 0 3 282.369 1.472 20 5 CDBDHN CN(C)C1CN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612448851 347175352 /nfs/dbraw/zinc/17/53/52/347175352.db2.gz TVVCOEUTQPAAAJ-UHFFFAOYSA-N 0 3 273.296 1.288 20 5 CDBDHN CC1(C)[C@H](O)C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000129355455 362931426 /nfs/dbraw/zinc/93/14/26/362931426.db2.gz RLNOORODEVRWSN-VXGBXAGGSA-N 0 3 250.298 1.844 20 5 CDBDHN CC(C)[C@@H](CCO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273987623 192390875 /nfs/dbraw/zinc/39/08/75/192390875.db2.gz JINGMWSYGIOVJT-LLVKDONJSA-N 0 3 295.339 1.530 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848266 180044698 /nfs/dbraw/zinc/04/46/98/180044698.db2.gz ZKABKKVQQPIOJF-FZMZJTMJSA-N 0 3 280.324 1.705 20 5 CDBDHN Cc1c(CC(=O)NC[C@H]2CCCN2C)cccc1[N+](=O)[O-] ZINC000122836737 187054691 /nfs/dbraw/zinc/05/46/91/187054691.db2.gz CUOAUOKNDBRYCH-CYBMUJFWSA-N 0 3 291.351 1.656 20 5 CDBDHN CNC(=O)CCCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000155262497 188194674 /nfs/dbraw/zinc/19/46/74/188194674.db2.gz MHEKSDMZPLQAGJ-UHFFFAOYSA-N 0 3 279.340 1.861 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)[C@@H]2CCCOC2)c(F)c1 ZINC000411994161 363402979 /nfs/dbraw/zinc/40/29/79/363402979.db2.gz MUDFLOFXWYFBFF-BXUZGUMPSA-N 0 3 298.314 1.611 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000411984276 363396854 /nfs/dbraw/zinc/39/68/54/363396854.db2.gz CKWYEWKZVAPKOJ-TZMCWYRMSA-N 0 3 280.324 1.472 20 5 CDBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000286275003 356242760 /nfs/dbraw/zinc/24/27/60/356242760.db2.gz VMVAYNJCZRZSRM-JTQLQIEISA-N 0 3 288.307 1.571 20 5 CDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cn1)N1CCC[C@H](C)C1 ZINC000273591650 192220027 /nfs/dbraw/zinc/22/00/27/192220027.db2.gz HHTLSPWOHYSATH-WDEREUQCSA-N 0 3 279.344 1.917 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])cn1 ZINC000273637833 192241295 /nfs/dbraw/zinc/24/12/95/192241295.db2.gz RLDSCKADRWKGKA-JTQLQIEISA-N 0 3 265.317 1.163 20 5 CDBDHN CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000175432979 356564113 /nfs/dbraw/zinc/56/41/13/356564113.db2.gz CIWXMPLZAYHVAT-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CN1C1CC1 ZINC000267895293 363560300 /nfs/dbraw/zinc/56/03/00/363560300.db2.gz UBSKSFKWZMUUAR-DTWKUNHWSA-N 0 3 265.317 1.365 20 5 CDBDHN C[C@@H](NCC[C@H](C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293954536 198843609 /nfs/dbraw/zinc/84/36/09/198843609.db2.gz ZNXGOYDPHIWFLT-DTWKUNHWSA-N 0 3 253.302 1.599 20 5 CDBDHN Cc1cnn(C)c1CNCCc1cccc([N+](=O)[O-])c1 ZINC000286619159 357588713 /nfs/dbraw/zinc/58/87/13/357588713.db2.gz SABRCRWEAGPGQR-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN O=C(NCCNc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000338070016 358736072 /nfs/dbraw/zinc/73/60/72/358736072.db2.gz OFMIERPDPBSQIP-UHFFFAOYSA-N 0 3 286.291 1.254 20 5 CDBDHN CC[C@H]1CN(CC)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000451731982 359073353 /nfs/dbraw/zinc/07/33/53/359073353.db2.gz SFRAUGWBUGPIMF-NSHDSACASA-N 0 3 281.360 1.244 20 5 CDBDHN CC[C@H]1CN(CC)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000451728276 359073960 /nfs/dbraw/zinc/07/39/60/359073960.db2.gz FEYVZMPMNKXTDH-LBPRGKRZSA-N 0 3 281.360 1.207 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H](CO)CC(C)(C)C ZINC000451774919 359077966 /nfs/dbraw/zinc/07/79/66/359077966.db2.gz CDXUPOCWFWNRBL-NSHDSACASA-N 0 3 284.360 1.520 20 5 CDBDHN COCCN(C)C[C@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000313947530 359154068 /nfs/dbraw/zinc/15/40/68/359154068.db2.gz BRPIOWHWXBTLSV-LBPRGKRZSA-N 0 3 298.339 1.221 20 5 CDBDHN CCOC(=O)CCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000338784019 359169238 /nfs/dbraw/zinc/16/92/38/359169238.db2.gz QVDSUTDRLBCLME-UHFFFAOYSA-N 0 3 296.323 1.859 20 5 CDBDHN CC(C)[C@@H](NCc1c([N+](=O)[O-])ncn1C)C1(CO)CCC1 ZINC000339725663 359427965 /nfs/dbraw/zinc/42/79/65/359427965.db2.gz IJANZHFWLYQXPI-GFCCVEGCSA-N 0 3 296.371 1.605 20 5 CDBDHN COC[C@@]1(C)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837946 200011931 /nfs/dbraw/zinc/01/19/31/200011931.db2.gz SOECYUQTLYMMEH-GJZGRUSLSA-N 0 3 294.351 1.987 20 5 CDBDHN Cc1ccnc(NCCCN2CCC(O)CC2)c1[N+](=O)[O-] ZINC000265160122 359775487 /nfs/dbraw/zinc/77/54/87/359775487.db2.gz DTSIXBBONWIKSG-UHFFFAOYSA-N 0 3 294.355 1.557 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177129764 189030777 /nfs/dbraw/zinc/03/07/77/189030777.db2.gz QIGDRIZSVOSRCW-CMPLNLGQSA-N 0 3 289.335 1.950 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000267379658 360619917 /nfs/dbraw/zinc/61/99/17/360619917.db2.gz AQYIZTVTMOVTLX-NSHDSACASA-N 0 3 290.327 1.394 20 5 CDBDHN Cc1nc(N2C[C@@H](N3CCCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000294828908 361413775 /nfs/dbraw/zinc/41/37/75/361413775.db2.gz AJIRSOYOQUHYTJ-JQWIXIFHSA-N 0 3 291.355 1.756 20 5 CDBDHN COC(=O)c1cc(NC(=O)CNC2CC2)cc([N+](=O)[O-])c1 ZINC000581185870 363968455 /nfs/dbraw/zinc/96/84/55/363968455.db2.gz QDHLJECGXGEKDU-UHFFFAOYSA-N 0 3 293.279 1.072 20 5 CDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000268228138 364521074 /nfs/dbraw/zinc/52/10/74/364521074.db2.gz XPWALALSDSQKNT-JTQLQIEISA-N 0 3 283.353 1.823 20 5 CDBDHN C[C@@]1(F)CNCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000414767249 241375794 /nfs/dbraw/zinc/37/57/94/241375794.db2.gz JKXNTADNTHYTHL-LLVKDONJSA-N 0 3 273.333 1.790 20 5 CDBDHN N[C@@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC001580115471 1172350572 /nfs/dbraw/zinc/35/05/72/1172350572.db2.gz XHLUUJUWLVHLOA-SNVBAGLBSA-N 0 3 267.289 1.164 20 5 CDBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000417212744 242360766 /nfs/dbraw/zinc/36/07/66/242360766.db2.gz BJTDOIQCOLKQLO-UHFFFAOYSA-N 0 3 292.339 1.142 20 5 CDBDHN COC(=O)Cc1ccc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000295410431 370196586 /nfs/dbraw/zinc/19/65/86/370196586.db2.gz LHFOWDRMFDAJFS-UHFFFAOYSA-N 0 3 281.312 1.284 20 5 CDBDHN CCCN[C@@H](C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295703362 370578000 /nfs/dbraw/zinc/57/80/00/370578000.db2.gz MMFHXQPMTVNLCA-QMMMGPOBSA-N 0 3 291.311 1.798 20 5 CDBDHN CCN(C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000190170252 373330834 /nfs/dbraw/zinc/33/08/34/373330834.db2.gz ZBYWNPUOMDICDJ-UHFFFAOYSA-N 0 3 282.300 1.140 20 5 CDBDHN CNC(=O)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298697731 373797073 /nfs/dbraw/zinc/79/70/73/373797073.db2.gz OEGNILWVFNQOSB-VHSXEESVSA-N 0 3 265.313 1.770 20 5 CDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)c1 ZINC000080394470 374465416 /nfs/dbraw/zinc/46/54/16/374465416.db2.gz LIBOQSOVQSRNHT-UHFFFAOYSA-N 0 3 297.380 1.950 20 5 CDBDHN CN(C)CCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000080390753 374465444 /nfs/dbraw/zinc/46/54/44/374465444.db2.gz AOLDAZLSFGUJFS-UHFFFAOYSA-N 0 3 251.286 1.228 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN2CCCC2)n1 ZINC000124460700 374795756 /nfs/dbraw/zinc/79/57/56/374795756.db2.gz NTMLQKJDVACEQT-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN COc1ccc(CN[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000278112357 374830985 /nfs/dbraw/zinc/83/09/85/374830985.db2.gz BLUAZQZUQFDEGF-CQSZACIVSA-N 0 3 296.323 1.235 20 5 CDBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000277474035 374790105 /nfs/dbraw/zinc/79/01/05/374790105.db2.gz IDVIAKCIEJTLQK-SNVBAGLBSA-N 0 3 293.327 1.065 20 5 CDBDHN CC(=O)N1CCC[C@@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000279785317 374961685 /nfs/dbraw/zinc/96/16/85/374961685.db2.gz LUCNIXBJRIAYQA-ZDUSSCGKSA-N 0 3 291.351 1.943 20 5 CDBDHN C[C@]1(O)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280143484 374983713 /nfs/dbraw/zinc/98/37/13/374983713.db2.gz REFVGCFWBYSEOR-CABCVRRESA-N 0 3 294.351 1.865 20 5 CDBDHN CN(C)C/C=C/C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282604997 375097095 /nfs/dbraw/zinc/09/70/95/375097095.db2.gz YJXLCNJALYUUNO-VMPITWQZSA-N 0 3 291.351 1.714 20 5 CDBDHN COCC[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000282153110 375067713 /nfs/dbraw/zinc/06/77/13/375067713.db2.gz HWJSWGVVMXLBOO-LLVKDONJSA-N 0 3 254.286 1.082 20 5 CDBDHN C[C@H](NC[C@@H](O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119445 375553502 /nfs/dbraw/zinc/55/35/02/375553502.db2.gz JBWQGRZLTJGYPC-GXFFZTMASA-N 0 3 267.329 1.168 20 5 CDBDHN Cc1ccc(NC(=O)[C@]2(F)CCNC2)cc1[N+](=O)[O-] ZINC000163398889 375687573 /nfs/dbraw/zinc/68/75/73/375687573.db2.gz WRSPJJNYJCWBLA-LBPRGKRZSA-N 0 3 267.260 1.543 20 5 CDBDHN CC[C@](C)(NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000133671377 375810132 /nfs/dbraw/zinc/81/01/32/375810132.db2.gz FCIRPCNYVFPFBD-ZDUSSCGKSA-N 0 3 281.312 1.217 20 5 CDBDHN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCCN(C)C1 ZINC000357403925 375905428 /nfs/dbraw/zinc/90/54/28/375905428.db2.gz WBGIZLQNOMDCMX-VIFPVBQESA-N 0 3 266.301 1.089 20 5 CDBDHN Cc1nc(NCCN2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000296589003 376548636 /nfs/dbraw/zinc/54/86/36/376548636.db2.gz RUGDSSMTJAPKIW-SNVBAGLBSA-N 0 3 279.344 1.980 20 5 CDBDHN C[C@@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471783 377815920 /nfs/dbraw/zinc/81/59/20/377815920.db2.gz VWTMICHBUMYWPX-VXGBXAGGSA-N 0 3 280.324 1.819 20 5 CDBDHN COCC[C@]1(NCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000447085297 250340065 /nfs/dbraw/zinc/34/00/65/250340065.db2.gz HXBVPTMZEWPRHF-AWEZNQCLSA-N 0 3 280.324 1.880 20 5 CDBDHN NC(=O)[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449743952 250995027 /nfs/dbraw/zinc/99/50/27/250995027.db2.gz CMRIBBRDFFBNCT-SCZZXKLOSA-N 0 3 281.287 1.478 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(CCOCCO)C2)cc1 ZINC000451543455 285139545 /nfs/dbraw/zinc/13/95/45/285139545.db2.gz BUUJARYTXSCDNG-AWEZNQCLSA-N 0 3 294.351 1.783 20 5 CDBDHN CO[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000282062249 195492795 /nfs/dbraw/zinc/49/27/95/195492795.db2.gz BPHPCXUHTVOAAM-AAEUAGOBSA-N 0 3 295.339 1.256 20 5 CDBDHN C[C@@H]1CN(CCCNc2c([N+](=O)[O-])ncn2C)CCCO1 ZINC000432879201 390492381 /nfs/dbraw/zinc/49/23/81/390492381.db2.gz KKCVNCLZIRKGGS-LLVKDONJSA-N 0 3 297.359 1.241 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CN(C)C)c1 ZINC000411103659 390965840 /nfs/dbraw/zinc/96/58/40/390965840.db2.gz VRXOISLSZMNVFS-UHFFFAOYSA-N 0 3 295.339 1.673 20 5 CDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN(C2CC2)C1 ZINC000295735024 391126707 /nfs/dbraw/zinc/12/67/07/391126707.db2.gz RXYIRANTCYNKPR-SNVBAGLBSA-N 0 3 292.339 1.479 20 5 CDBDHN Cc1cnc(N2CCNC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000212741129 391496919 /nfs/dbraw/zinc/49/69/19/391496919.db2.gz LNDOZLWZWFDDLQ-UHFFFAOYSA-N 0 3 250.302 1.486 20 5 CDBDHN CC(C)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])N(C)C ZINC000269227026 132136217 /nfs/dbraw/zinc/13/62/17/132136217.db2.gz WUGUOVXCJBBSMU-ZDUSSCGKSA-N 0 3 279.340 1.797 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCNCc3ccccc32)n1 ZINC000430937588 393106905 /nfs/dbraw/zinc/10/69/05/393106905.db2.gz DAUHNNJBZZKAGL-UHFFFAOYSA-N 0 3 287.323 1.401 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000531567975 393063094 /nfs/dbraw/zinc/06/30/94/393063094.db2.gz OOYVYJPYXSPKSH-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN CSCC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856712 140219911 /nfs/dbraw/zinc/21/99/11/140219911.db2.gz GDDPIDPDXAJWQJ-LLVKDONJSA-N 0 3 297.380 1.600 20 5 CDBDHN Cc1c(CNC(=O)[C@H]2C[C@@H](C)CCN2)cccc1[N+](=O)[O-] ZINC000231856053 140219978 /nfs/dbraw/zinc/21/99/78/140219978.db2.gz FYDLMXPOUORDEG-GXFFZTMASA-N 0 3 291.351 1.908 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252545787 140320247 /nfs/dbraw/zinc/32/02/47/140320247.db2.gz JTAAALWNTXBIPQ-AAEUAGOBSA-N 0 3 292.339 1.573 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2NCCc3ccccc32)nc1 ZINC000261770089 140386506 /nfs/dbraw/zinc/38/65/06/140386506.db2.gz VVTIMMXFAVQXLT-ZDUSSCGKSA-N 0 3 285.307 1.684 20 5 CDBDHN CCO[C@@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176260389 148031962 /nfs/dbraw/zinc/03/19/62/148031962.db2.gz LZCPUQRYSKYVIV-VXGBXAGGSA-N 0 3 296.371 1.927 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CCN1C ZINC000334042633 149306101 /nfs/dbraw/zinc/30/61/01/149306101.db2.gz UZLANUKDHZTOFN-WPRPVWTQSA-N 0 3 283.353 1.869 20 5 CDBDHN Cc1c([C@H](C)N[C@@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000343096197 152029798 /nfs/dbraw/zinc/02/97/98/152029798.db2.gz MDINSJGVDDXVMD-WPRPVWTQSA-N 0 3 265.313 1.818 20 5 CDBDHN CCCN1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000343948582 152366194 /nfs/dbraw/zinc/36/61/94/152366194.db2.gz IGCSOQDHJDLPFJ-LLVKDONJSA-N 0 3 281.360 1.923 20 5 CDBDHN Cc1cc(OCC(=O)N[C@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000346161133 153077162 /nfs/dbraw/zinc/07/71/62/153077162.db2.gz FYRAKYRGGZFPGK-LLVKDONJSA-N 0 3 295.339 1.348 20 5 CDBDHN COc1c(C(=O)N[C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000346166569 153079453 /nfs/dbraw/zinc/07/94/53/153079453.db2.gz RTMDVKOIBNGAKS-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000346229312 153105373 /nfs/dbraw/zinc/10/53/73/153105373.db2.gz SJJFGUKACDKMFI-SECBINFHSA-N 0 3 251.286 1.275 20 5 CDBDHN CN1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000346262315 153116381 /nfs/dbraw/zinc/11/63/81/153116381.db2.gz AJJYIGBNOPGSRO-ZDUSSCGKSA-N 0 3 278.312 1.091 20 5 CDBDHN N[C@@H](CC(F)F)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000312025067 289426891 /nfs/dbraw/zinc/42/68/91/289426891.db2.gz WCHIPRWJFVDRRO-VIFPVBQESA-N 0 3 273.239 1.194 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000362086137 159065207 /nfs/dbraw/zinc/06/52/07/159065207.db2.gz IEEOCHHDEBDUGS-NWDGAFQWSA-N 0 3 280.324 1.534 20 5 CDBDHN C[C@@H](NCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000020142065 171028242 /nfs/dbraw/zinc/02/82/42/171028242.db2.gz DBNGOLHJEAVESZ-CYBMUJFWSA-N 0 3 293.367 1.968 20 5 CDBDHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268110 196237114 /nfs/dbraw/zinc/23/71/14/196237114.db2.gz QRNMHKJTWCKDHR-ZEGGKSINSA-N 0 3 279.340 1.987 20 5 CDBDHN CN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000044563117 175206396 /nfs/dbraw/zinc/20/63/96/175206396.db2.gz DBYLDBUOXWTCBK-SNVBAGLBSA-N 0 3 250.302 1.886 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236704273 275587377 /nfs/dbraw/zinc/58/73/77/275587377.db2.gz QCBJNEMIGUYPKY-CQSZACIVSA-N 0 3 291.351 1.853 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000269377980 275722508 /nfs/dbraw/zinc/72/25/08/275722508.db2.gz ODIHWAHIESMDOV-MRVPVSSYSA-N 0 3 283.332 1.121 20 5 CDBDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151095521 275771887 /nfs/dbraw/zinc/77/18/87/275771887.db2.gz IVTSIELWZTUFGI-GXFFZTMASA-N 0 3 277.324 1.866 20 5 CDBDHN Cn1nccc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000071333732 279209192 /nfs/dbraw/zinc/20/91/92/279209192.db2.gz HUKAJFOFQUFLSF-UHFFFAOYSA-N 0 3 276.296 1.497 20 5 CDBDHN C[C@H](CO)N(CCOc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000248928265 280395363 /nfs/dbraw/zinc/39/53/63/280395363.db2.gz LZVGYMHCGZMLRI-NEPJUHHUSA-N 0 3 298.339 1.037 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)CN(C)C ZINC000154309893 289201614 /nfs/dbraw/zinc/20/16/14/289201614.db2.gz UQTXMLKLYUMEND-AAEUAGOBSA-N 0 3 281.356 1.476 20 5 CDBDHN CN1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000563419426 316304165 /nfs/dbraw/zinc/30/41/65/316304165.db2.gz UYKRRXTVZPBOBS-JOYOIKCWSA-N 0 3 275.308 1.402 20 5 CDBDHN O=C(CNC1CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182672980 323293855 /nfs/dbraw/zinc/29/38/55/323293855.db2.gz FOPPCUVCMBWDHY-UHFFFAOYSA-N 0 3 289.335 1.838 20 5 CDBDHN CO[C@@H]1COC[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000584052944 326910568 /nfs/dbraw/zinc/91/05/68/326910568.db2.gz NLFVWDGMZIDPTJ-UDGJJRABSA-N 0 3 278.308 1.611 20 5 CDBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000061379448 523616649 /nfs/dbraw/zinc/61/66/49/523616649.db2.gz PRGOEZAQECFGNI-UHFFFAOYSA-N 0 3 253.302 1.585 20 5 CDBDHN Cc1ccc([C@H](C)NCCOCCO)cc1[N+](=O)[O-] ZINC000020199232 525920949 /nfs/dbraw/zinc/92/09/49/525920949.db2.gz USJMWZNLYJFRKG-NSHDSACASA-N 0 3 268.313 1.563 20 5 CDBDHN C[C@H]1CCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744344309 576675416 /nfs/dbraw/zinc/67/54/16/576675416.db2.gz AHGGLXWUUUZIHO-JTQLQIEISA-N 0 3 295.314 1.948 20 5 CDBDHN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2)CN2CCC1CC2 ZINC000892798302 617760182 /nfs/dbraw/zinc/76/01/82/617760182.db2.gz ASFGUWOTICHLBU-OAHLLOKOSA-N 0 3 289.335 1.809 20 5 CDBDHN COc1c(O)ccc(CN[C@@]2(C)CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000893522533 618024854 /nfs/dbraw/zinc/02/48/54/618024854.db2.gz UWHOKIUDAUEHEH-OTYXRUKQSA-N 0 3 296.323 1.966 20 5 CDBDHN Cc1sc(Cl)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000893045627 618093225 /nfs/dbraw/zinc/09/32/25/618093225.db2.gz ZBNKSHJNITXMSL-SCSAIBSYSA-N 0 3 264.690 1.927 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCCN2CCCC[C@H]12 ZINC000894435990 618886029 /nfs/dbraw/zinc/88/60/29/618886029.db2.gz GMMAUDNJCSXNDG-WDEREUQCSA-N 0 3 279.344 1.757 20 5 CDBDHN Cc1cc(N[C@@H](C)[C@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246949 619493286 /nfs/dbraw/zinc/49/32/86/619493286.db2.gz DFQZCRFTERHUQM-SWLSCSKDSA-N 0 3 292.383 1.949 20 5 CDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)n1 ZINC001158347946 1162889865 /nfs/dbraw/zinc/88/98/65/1162889865.db2.gz ANARWPWYSWOFKG-YFKPBYRVSA-N 0 3 282.691 1.552 20 5 CDBDHN Cc1cc(NC[C@@H]2CNCCO2)c(F)cc1[N+](=O)[O-] ZINC000261606216 1181692284 /nfs/dbraw/zinc/69/22/84/1181692284.db2.gz RMHMNTDBTOGUCZ-VIFPVBQESA-N 0 3 269.276 1.443 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000401308539 1186410707 /nfs/dbraw/zinc/41/07/07/1186410707.db2.gz UMXYIJUXMPRIFD-KXUCPTDWSA-N 0 3 280.328 1.144 20 5 CDBDHN CC(COC(=O)c1cncn1-c1ccc(F)cc1)[N+](=O)[O-] ZINC000813111626 783697599 /nfs/dbraw/zinc/69/75/99/783697599.db2.gz JAELTXXWUJZAMF-VIFPVBQESA-N 0 3 293.254 1.833 20 5 CDBDHN COC[C@H](O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230160102 785009391 /nfs/dbraw/zinc/00/93/91/785009391.db2.gz KKBUUTHEXYNNKZ-LLVKDONJSA-N 0 3 288.731 1.735 20 5 CDBDHN CCNC(=O)[C@H](C)N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866217335 785049574 /nfs/dbraw/zinc/04/95/74/785049574.db2.gz XLKHAAJROBJRTD-ZJUUUORDSA-N 0 3 297.330 1.779 20 5 CDBDHN CCN1CCN(CCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000853150485 785504929 /nfs/dbraw/zinc/50/49/29/785504929.db2.gz FWNWALRSCDGAKU-UHFFFAOYSA-N 0 3 293.371 1.226 20 5 CDBDHN CC(C)(C)OC(=O)NCC[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000932695308 785928411 /nfs/dbraw/zinc/92/84/11/785928411.db2.gz MXNCHPPMQXTZHK-LLVKDONJSA-N 0 3 287.360 1.500 20 5 CDBDHN C[C@@H](NC[C@H]1CCC(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000851897836 786054642 /nfs/dbraw/zinc/05/46/42/786054642.db2.gz RKWFGRXFZLXNEM-BXKDBHETSA-N 0 3 264.281 1.951 20 5 CDBDHN Cc1c(CN[C@@H](C)[C@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000873081730 786380206 /nfs/dbraw/zinc/38/02/06/786380206.db2.gz PHNOZNQAVOWGKI-SWLSCSKDSA-N 0 3 293.367 1.712 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CSCCN3)n2)o1 ZINC000843238397 786749563 /nfs/dbraw/zinc/74/95/63/786749563.db2.gz QUSDIPGEPSEKPV-SSDOTTSWSA-N 0 3 296.308 1.485 20 5 CDBDHN CC(COC(=O)C[C@H]1C(=O)Nc2ccccc21)[N+](=O)[O-] ZINC000813102986 786857969 /nfs/dbraw/zinc/85/79/69/786857969.db2.gz XAUHJVKPJCDMHN-WCBMZHEXSA-N 0 3 278.264 1.321 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000813111345 787878082 /nfs/dbraw/zinc/87/80/82/787878082.db2.gz RNSOPSFCGSGEJN-SECBINFHSA-N 0 3 281.264 1.670 20 5 CDBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000845670993 787890010 /nfs/dbraw/zinc/89/00/10/787890010.db2.gz XZQMINSVQQBXMV-JTQLQIEISA-N 0 3 281.312 1.574 20 5 CDBDHN C[C@@H](N)c1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1 ZINC000881277720 787949641 /nfs/dbraw/zinc/94/96/41/787949641.db2.gz KCZMTHIDLMTKHP-BDAKNGLRSA-N 0 3 261.285 1.815 20 5 CDBDHN N[C@H](CC1CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000083458662 788009941 /nfs/dbraw/zinc/00/99/41/788009941.db2.gz QHAXZVXPQMHLKB-LLVKDONJSA-N 0 3 263.297 1.338 20 5 CDBDHN O=C(NC1CN(CCC2CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292489 788149188 /nfs/dbraw/zinc/14/91/88/788149188.db2.gz LCYWPYJSMILXBO-ZIAGYGMSSA-N 0 3 295.383 1.422 20 5 CDBDHN CCOC(=O)CCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178859444 788572904 /nfs/dbraw/zinc/57/29/04/788572904.db2.gz SNRZZHYPNFAMAD-CYBMUJFWSA-N 0 3 296.323 1.513 20 5 CDBDHN CC(COC(=O)c1cc2n(n1)CCCC2)[N+](=O)[O-] ZINC000835455926 788821975 /nfs/dbraw/zinc/82/19/75/788821975.db2.gz QHWOGRBTFRHNHO-QMMMGPOBSA-N 0 3 253.258 1.041 20 5 CDBDHN CC(COC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1)[N+](=O)[O-] ZINC000870378810 789020805 /nfs/dbraw/zinc/02/08/05/789020805.db2.gz XSLDYJOFRUJAJP-RNFRBKRXSA-N 0 3 295.217 1.671 20 5 CDBDHN CC(COC(=O)C[C@H](n1cccn1)C(F)(F)F)[N+](=O)[O-] ZINC000851036625 789026107 /nfs/dbraw/zinc/02/61/07/789026107.db2.gz KYKGMAFKIVTLMV-YUMQZZPRSA-N 0 3 295.217 1.585 20 5 CDBDHN CC(COC(=O)c1cc(Br)n(C)n1)[N+](=O)[O-] ZINC000835455976 789786319 /nfs/dbraw/zinc/78/63/19/789786319.db2.gz RIWXCQDSFNFDBC-YFKPBYRVSA-N 0 3 292.089 1.005 20 5 CDBDHN COc1ccccc1C(=O)CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168980237 927568961 /nfs/dbraw/zinc/56/89/61/927568961.db2.gz CJOGSEITSZVSBX-VXGBXAGGSA-N 0 3 292.335 1.913 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ncccc2F)C1 ZINC001168964761 927587854 /nfs/dbraw/zinc/58/78/54/927587854.db2.gz VYAGVOOSTCDXAT-NXEZZACHSA-N 0 3 253.277 1.756 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC(N3CCC(F)CC3)C2)C1 ZINC001169034140 927642071 /nfs/dbraw/zinc/64/20/71/927642071.db2.gz FNHVNNPTTIMSLT-WCQYABFASA-N 0 3 285.363 1.550 20 5 CDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C(F)F ZINC001154048879 937496503 /nfs/dbraw/zinc/49/65/03/937496503.db2.gz CTIPYCGRDDQMDG-UHFFFAOYSA-N 0 3 293.295 1.517 20 5 CDBDHN Cc1nc(Nc2ccc(CN)nc2)ccc1[N+](=O)[O-] ZINC001160396140 931519782 /nfs/dbraw/zinc/51/97/82/931519782.db2.gz CSZPFVHEIQJHFH-UHFFFAOYSA-N 0 3 259.269 1.896 20 5 CDBDHN COc1cnc(-n2ccc([C@H](C)N)n2)c([N+](=O)[O-])c1 ZINC001158347966 938611788 /nfs/dbraw/zinc/61/17/88/938611788.db2.gz ATMKRTPTJJHAOY-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN C[C@H](Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@H]1CNCCO1 ZINC001159498215 938734368 /nfs/dbraw/zinc/73/43/68/938734368.db2.gz KPUCOOCPNMKFPA-GZMMTYOYSA-N 0 3 291.311 1.260 20 5 CDBDHN NCc1ccc(Nc2ncc(F)cc2[N+](=O)[O-])cn1 ZINC001160397290 938783954 /nfs/dbraw/zinc/78/39/54/938783954.db2.gz UPQGSBRZUXRRFQ-UHFFFAOYSA-N 0 3 263.232 1.726 20 5 CDBDHN Cc1c([N+](=O)[O-])cc(F)cc1-n1cnc(CN)c1 ZINC001162302360 938975291 /nfs/dbraw/zinc/97/52/91/938975291.db2.gz PHQHDGOJEAJRFU-UHFFFAOYSA-N 0 3 250.233 1.687 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)nc(-n2ncc3c2CCNC3)c1 ZINC001165217855 939525676 /nfs/dbraw/zinc/52/56/76/939525676.db2.gz ADDKMLNJORIHGT-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN COC(=O)c1ccc(CO[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001223409513 941675624 /nfs/dbraw/zinc/67/56/24/941675624.db2.gz CRDFJQCKYFZOJT-LBPRGKRZSA-N 0 3 294.307 1.602 20 5 CDBDHN COCCN1CCC(Oc2c(O)cccc2[N+](=O)[O-])CC1 ZINC001226334772 941989651 /nfs/dbraw/zinc/98/96/51/941989651.db2.gz YSFJIRNQJAHYHD-UHFFFAOYSA-N 0 3 296.323 1.790 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccnc(N)c1 ZINC001226658159 942043902 /nfs/dbraw/zinc/04/39/02/942043902.db2.gz YRMRBQCNCTZENN-QMMMGPOBSA-N 0 3 277.284 1.544 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1(F)COC1 ZINC001254538345 947516049 /nfs/dbraw/zinc/51/60/49/947516049.db2.gz SLGODAPAIPOJAZ-JTQLQIEISA-N 0 3 268.288 1.854 20 5 CDBDHN N[C@]1(C(F)(F)F)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246565442 948280964 /nfs/dbraw/zinc/28/09/64/948280964.db2.gz CANLKEXNCRGTHQ-OPRDCNLKSA-N 0 3 281.278 1.397 20 5 CDBDHN CN(C)CCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247447775 948635667 /nfs/dbraw/zinc/63/56/67/948635667.db2.gz IMFJSTCXSWWTQJ-UHFFFAOYSA-N 0 3 281.247 1.283 20 5 CDBDHN O=C(CCNCCF)Nc1ccccc1[N+](=O)[O-] ZINC001356568757 969430723 /nfs/dbraw/zinc/43/07/23/969430723.db2.gz HUPOAEKDUBOWGU-UHFFFAOYSA-N 0 3 255.249 1.483 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601006259 342458570 /nfs/dbraw/zinc/45/85/70/342458570.db2.gz SVSSGNGOKRKDFI-SECBINFHSA-N 0 3 281.287 1.415 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NC1CC1 ZINC000294966621 199274402 /nfs/dbraw/zinc/27/44/02/199274402.db2.gz GEHHWHLFJHVCNA-SECBINFHSA-N 0 3 263.297 1.982 20 5 CDBDHN O=C1NCCC[C@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000590971866 342612490 /nfs/dbraw/zinc/61/24/90/342612490.db2.gz RDBSPLULYWZEBD-NSHDSACASA-N 0 3 263.297 1.211 20 5 CDBDHN C[C@@]1(CNCc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453585531 252327872 /nfs/dbraw/zinc/32/78/72/252327872.db2.gz GQQGLIMOAGQSLN-ZDUSSCGKSA-N 0 3 263.297 1.353 20 5 CDBDHN C[C@@]1(CNCc2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453589165 252327888 /nfs/dbraw/zinc/32/78/88/252327888.db2.gz MORUIKMVKXWNEG-ZDUSSCGKSA-N 0 3 263.297 1.353 20 5 CDBDHN C[C@H](CCO)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108802 342769272 /nfs/dbraw/zinc/76/92/72/342769272.db2.gz CMQOSDPQERMYDK-DGCLKSJQSA-N 0 3 298.339 1.037 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000088138723 342227011 /nfs/dbraw/zinc/22/70/11/342227011.db2.gz FPRZPWKTHXBTGI-UHFFFAOYSA-N 0 3 269.326 1.480 20 5 CDBDHN C[C@@H](CCO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496280 342914080 /nfs/dbraw/zinc/91/40/80/342914080.db2.gz YYFKUJLJAFMCOO-JOYOIKCWSA-N 0 3 250.298 1.943 20 5 CDBDHN COC[C@@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019524 342996013 /nfs/dbraw/zinc/99/60/13/342996013.db2.gz QKUKBTVRPYXGIJ-HZMBPMFUSA-N 0 3 298.339 1.651 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000108330326 349735113 /nfs/dbraw/zinc/73/51/13/349735113.db2.gz PWXGPPWDWLQPGK-SECBINFHSA-N 0 3 283.353 1.728 20 5 CDBDHN CCN1CCCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595308836 343032185 /nfs/dbraw/zinc/03/21/85/343032185.db2.gz MMWOAPHYLXZUIK-UHFFFAOYSA-N 0 3 268.317 1.419 20 5 CDBDHN Cc1noc(CN2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595480906 343065272 /nfs/dbraw/zinc/06/52/72/343065272.db2.gz ASODQDUDYLFMEY-CMPLNLGQSA-N 0 3 294.355 1.950 20 5 CDBDHN C[N@@H+]1CC[C@@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596242664 343285037 /nfs/dbraw/zinc/28/50/37/343285037.db2.gz UGKJEBITZIPVNX-CYBMUJFWSA-N 0 3 278.312 1.227 20 5 CDBDHN C[N@H+]1CC[C@@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596242664 343285038 /nfs/dbraw/zinc/28/50/38/343285038.db2.gz UGKJEBITZIPVNX-CYBMUJFWSA-N 0 3 278.312 1.227 20 5 CDBDHN CN1CCN(c2ncc([N+](=O)[O-])cn2)CC12CCCCC2 ZINC000596251652 343274801 /nfs/dbraw/zinc/27/48/01/343274801.db2.gz UURVLAJBGPULGV-UHFFFAOYSA-N 0 3 291.355 1.840 20 5 CDBDHN Cc1ccc([C@H](C)NCC2(CO)COC2)cc1[N+](=O)[O-] ZINC000090606386 342396647 /nfs/dbraw/zinc/39/66/47/342396647.db2.gz CUTNESQFINCQQW-NSHDSACASA-N 0 3 280.324 1.563 20 5 CDBDHN C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000600994781 342442619 /nfs/dbraw/zinc/44/26/19/342442619.db2.gz HIPMCVQAKCRRCH-MRVPVSSYSA-N 0 3 269.276 1.414 20 5 CDBDHN COC(=O)[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000597219135 343483299 /nfs/dbraw/zinc/48/32/99/343483299.db2.gz YPAFBRWTJMNYAK-PHIMTYICSA-N 0 3 264.281 1.636 20 5 CDBDHN C[C@H](N[C@@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599079320 343955997 /nfs/dbraw/zinc/95/59/97/343955997.db2.gz DNINRWUEPFLVMS-ZWKOPEQDSA-N 0 3 266.297 1.395 20 5 CDBDHN C[C@@H](NC(=O)/C=C/CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000265610277 362459779 /nfs/dbraw/zinc/45/97/79/362459779.db2.gz FCSILJAQCQOBRW-AYLMVEPYSA-N 0 3 277.324 1.890 20 5 CDBDHN CC[C@@]1(CO)CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602810947 344603014 /nfs/dbraw/zinc/60/30/14/344603014.db2.gz JPSYWEDCFLACAQ-CQSZACIVSA-N 0 3 296.371 1.584 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CC1=CCSC1 ZINC000602904004 344655797 /nfs/dbraw/zinc/65/57/97/344655797.db2.gz HFURZLAKADKUND-UHFFFAOYSA-N 0 3 282.369 1.705 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CCCC[C@H]1CO ZINC000052617027 345298174 /nfs/dbraw/zinc/29/81/74/345298174.db2.gz GWUQVHDWMQKDCY-LBPRGKRZSA-N 0 3 280.324 1.820 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N(C)C1CC1 ZINC000057721693 347088257 /nfs/dbraw/zinc/08/82/57/347088257.db2.gz WZYNNOZNGIYYHQ-MRVPVSSYSA-N 0 3 283.353 1.869 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccs2)c1 ZINC000037886186 346369647 /nfs/dbraw/zinc/36/96/47/346369647.db2.gz DKBDEMGRWBXJKO-SNVBAGLBSA-N 0 3 282.325 1.004 20 5 CDBDHN Cc1c(C(=O)N2C[C@@H](C)NC[C@H]2C)cccc1[N+](=O)[O-] ZINC000086467877 179298781 /nfs/dbraw/zinc/29/87/81/179298781.db2.gz RIUULCSXCJMKIE-NXEZZACHSA-N 0 3 277.324 1.726 20 5 CDBDHN Cc1noc(CCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC000105470066 348776687 /nfs/dbraw/zinc/77/66/87/348776687.db2.gz BYFUCWVMRXDIMX-UHFFFAOYSA-N 0 3 262.269 1.619 20 5 CDBDHN C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)N(C)C ZINC000063644778 348927546 /nfs/dbraw/zinc/92/75/46/348927546.db2.gz UERXGAIECNPMJH-VIFPVBQESA-N 0 3 299.302 1.179 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)COC ZINC000069911637 351212356 /nfs/dbraw/zinc/21/23/56/351212356.db2.gz OXAPRVANMZFFLM-CQSZACIVSA-N 0 3 298.339 1.481 20 5 CDBDHN CC(C)N(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000151855580 187982403 /nfs/dbraw/zinc/98/24/03/187982403.db2.gz JIAAOUPPFQEUMO-UHFFFAOYSA-N 0 3 269.301 1.600 20 5 CDBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000279800173 363303149 /nfs/dbraw/zinc/30/31/49/363303149.db2.gz PATWKVBZNMUAAR-ZDUSSCGKSA-N 0 3 264.325 1.840 20 5 CDBDHN CCN1C[C@@H](C)N(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000331329630 357440631 /nfs/dbraw/zinc/44/06/31/357440631.db2.gz HBUNTWBKUNVHOS-TXEJJXNPSA-N 0 3 281.360 1.206 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCOCCO ZINC000337422060 358033351 /nfs/dbraw/zinc/03/33/51/358033351.db2.gz BOADIYGPTLMSQE-LBPRGKRZSA-N 0 3 282.340 1.905 20 5 CDBDHN CO[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000361357650 358165857 /nfs/dbraw/zinc/16/58/57/358165857.db2.gz SZZPPKNOWDXMHR-CYBMUJFWSA-N 0 3 266.297 1.694 20 5 CDBDHN C[C@@H](NCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000341569024 358661059 /nfs/dbraw/zinc/66/10/59/358661059.db2.gz CDXUBWSYDHFGFG-LLVKDONJSA-N 0 3 277.324 1.868 20 5 CDBDHN Cc1ccc(CNC[C@@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000227975862 358688429 /nfs/dbraw/zinc/68/84/29/358688429.db2.gz FJHPAOHWAWTMFN-FZMZJTMJSA-N 0 3 280.324 1.533 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000106882171 359010035 /nfs/dbraw/zinc/01/00/35/359010035.db2.gz SUQBJWGPHCFDQN-LLVKDONJSA-N 0 3 266.297 1.694 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](CC3CC3)C2)c1 ZINC000339671971 359426175 /nfs/dbraw/zinc/42/61/75/359426175.db2.gz KNGHZMTVAFWYGG-GFCCVEGCSA-N 0 3 264.329 1.913 20 5 CDBDHN CCN(C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297131271 200093627 /nfs/dbraw/zinc/09/36/27/200093627.db2.gz HPWGKZUKVBATBF-NSHDSACASA-N 0 3 294.355 1.907 20 5 CDBDHN C[C@H](NCCN1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173389779 237340222 /nfs/dbraw/zinc/34/02/22/237340222.db2.gz JZDVVIZPOOXGIL-OLZOCXBDSA-N 0 3 293.367 1.966 20 5 CDBDHN CCN1CCC[C@H]1CN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297467029 200201384 /nfs/dbraw/zinc/20/13/84/200201384.db2.gz KMDOSUJSFQDLAN-NSHDSACASA-N 0 3 279.344 1.614 20 5 CDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1N(C)C ZINC000297641691 200249655 /nfs/dbraw/zinc/24/96/55/200249655.db2.gz XVJMUFLMKPBSPM-MNOVXSKESA-N 0 3 297.384 1.175 20 5 CDBDHN CN(C)CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177022235 189021294 /nfs/dbraw/zinc/02/12/94/189021294.db2.gz AQWDMZJQSZBVBX-UHFFFAOYSA-N 0 3 266.301 1.620 20 5 CDBDHN C[C@@H](C(=O)NCCN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000514822741 360234468 /nfs/dbraw/zinc/23/44/68/360234468.db2.gz ZMEPVKHANJBJNU-LLVKDONJSA-N 0 3 291.351 1.909 20 5 CDBDHN COc1ccc(OCCN2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000177967874 189082359 /nfs/dbraw/zinc/08/23/59/189082359.db2.gz ZXQZPZQWUKOPBO-CQSZACIVSA-N 0 3 296.323 1.439 20 5 CDBDHN N[C@@H](CC(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000345682674 361394896 /nfs/dbraw/zinc/39/48/96/361394896.db2.gz AZZGVOURGIIBNB-VIFPVBQESA-N 0 3 285.250 1.466 20 5 CDBDHN C[C@H](O)C[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000305236115 239388916 /nfs/dbraw/zinc/38/89/16/239388916.db2.gz XHEGUUQJKPEKTA-QWRGUYRKSA-N 0 3 268.317 1.027 20 5 CDBDHN Cc1nc(N[C@H]2CCN(C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527516 364141044 /nfs/dbraw/zinc/14/10/44/364141044.db2.gz BWMBEOOBFXOPNO-WPRPVWTQSA-N 0 3 265.317 1.588 20 5 CDBDHN COCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000171127715 376190129 /nfs/dbraw/zinc/19/01/29/376190129.db2.gz GESYKKVZCQNDFN-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@]1(F)CCNC1 ZINC000370800350 283895821 /nfs/dbraw/zinc/89/58/21/283895821.db2.gz MEGCRPGAJQGZRF-ZDUSSCGKSA-N 0 3 279.271 1.186 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000330894469 203361735 /nfs/dbraw/zinc/36/17/35/203361735.db2.gz FISFNFVPXZSOEA-AAEUAGOBSA-N 0 3 291.351 1.736 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330906795 203378211 /nfs/dbraw/zinc/37/82/11/203378211.db2.gz NOGQNNIYBHVNRB-CMPLNLGQSA-N 0 3 277.324 1.807 20 5 CDBDHN CNC(=O)c1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000053552185 370291963 /nfs/dbraw/zinc/29/19/63/370291963.db2.gz KHRTYNAXQYSBJK-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN Cc1c(CC(=O)NC[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000269616680 373151582 /nfs/dbraw/zinc/15/15/82/373151582.db2.gz LYNLJWWMTIDXRG-JTQLQIEISA-N 0 3 279.340 1.512 20 5 CDBDHN O=C(CNCC1CC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423720465 246002755 /nfs/dbraw/zinc/00/27/55/246002755.db2.gz HGRWLQZQFYZUDR-UHFFFAOYSA-N 0 3 289.295 1.409 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCCN2CCCO)cs1 ZINC000449390294 374806321 /nfs/dbraw/zinc/80/63/21/374806321.db2.gz VTWMULBREPOHHK-LBPRGKRZSA-N 0 3 299.396 1.593 20 5 CDBDHN COC[C@@H](CO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000279630138 374937929 /nfs/dbraw/zinc/93/79/29/374937929.db2.gz BSYPEDLJJQZRAO-FVOPLDGLSA-N 0 3 266.297 1.205 20 5 CDBDHN C[C@@H](CO)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000282665664 375098801 /nfs/dbraw/zinc/09/88/01/375098801.db2.gz BWVZHBIIRBDIPF-JTQLQIEISA-N 0 3 254.286 1.286 20 5 CDBDHN CC(C)NC(=O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293948880 375460820 /nfs/dbraw/zinc/46/08/20/375460820.db2.gz ZDDZHXQFTCSKAZ-JTQLQIEISA-N 0 3 294.355 1.742 20 5 CDBDHN CCN(CCNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000227549741 375558272 /nfs/dbraw/zinc/55/82/72/375558272.db2.gz CITCRZYJEGEYBA-UHFFFAOYSA-N 0 3 250.302 1.886 20 5 CDBDHN COc1cc(C[NH2+]C[C@@H](CO)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000353106388 375576651 /nfs/dbraw/zinc/57/66/51/375576651.db2.gz HHELGTPGKRWUDL-NSHDSACASA-N 0 3 296.323 1.417 20 5 CDBDHN C[C@@H]1C[C@@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354218929 375686175 /nfs/dbraw/zinc/68/61/75/375686175.db2.gz BYQYPYIFJLMJPO-NXEZZACHSA-N 0 3 277.324 1.924 20 5 CDBDHN CN1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000294228989 375801219 /nfs/dbraw/zinc/80/12/19/375801219.db2.gz RKCNIRNQAFWPCT-AWEZNQCLSA-N 0 3 293.323 1.746 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CNCCO1 ZINC000134267006 375946894 /nfs/dbraw/zinc/94/68/94/375946894.db2.gz HLOSHWKHHDEWHG-LLVKDONJSA-N 0 3 251.286 1.304 20 5 CDBDHN Cc1c([C@H](C)NC[C@@H](O)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000358047827 375947662 /nfs/dbraw/zinc/94/76/62/375947662.db2.gz OIUXYSXWXFPFTK-YWPYICTPSA-N 0 3 294.351 1.951 20 5 CDBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCCF)n1 ZINC000436280825 249391144 /nfs/dbraw/zinc/39/11/44/249391144.db2.gz FLKOEJBALBLYCF-UWVGGRQHSA-N 0 3 256.281 1.834 20 5 CDBDHN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000278750862 194137688 /nfs/dbraw/zinc/13/76/88/194137688.db2.gz WKPIKRUXJYWXHY-ZIAGYGMSSA-N 0 3 280.324 1.878 20 5 CDBDHN CC[C@@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000344205836 379256383 /nfs/dbraw/zinc/25/63/83/379256383.db2.gz AOWHFGQCLTXPBD-LBPRGKRZSA-N 0 3 252.318 1.913 20 5 CDBDHN CCC1(CC)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000453022644 252253427 /nfs/dbraw/zinc/25/34/27/252253427.db2.gz QPDQTPPMMBFAKG-LBPRGKRZSA-N 0 3 282.344 1.274 20 5 CDBDHN C[C@@H](NC(=O)/C=C\CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000491880769 253110986 /nfs/dbraw/zinc/11/09/86/253110986.db2.gz FCSILJAQCQOBRW-UIJKISKDSA-N 0 3 277.324 1.890 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](C2CC2)C1 ZINC000289383523 197321439 /nfs/dbraw/zinc/32/14/39/197321439.db2.gz JIYCGTDRPXHLOE-CYBMUJFWSA-N 0 3 291.351 1.879 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H]2CCCN([C@H]3COC[C@H]3O)C2)cc1 ZINC000451543201 390630615 /nfs/dbraw/zinc/63/06/15/390630615.db2.gz BHJHYQNKTYGGAU-AEGPPILISA-N 0 3 292.335 1.534 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCC1(O)CCC1 ZINC000283823158 195927222 /nfs/dbraw/zinc/92/72/22/195927222.db2.gz DCGJEURCBRAMIJ-UHFFFAOYSA-N 0 3 250.298 1.990 20 5 CDBDHN CNC(=O)[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449202867 390799056 /nfs/dbraw/zinc/79/90/56/390799056.db2.gz KOIJVWYMZKCQLF-SMDDNHRTSA-N 0 3 293.367 1.886 20 5 CDBDHN C[C@@H](NCCNC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000135794508 390873167 /nfs/dbraw/zinc/87/31/67/390873167.db2.gz PGDYDKLDHAFDMJ-SNVBAGLBSA-N 0 3 277.324 1.772 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000286915073 390815192 /nfs/dbraw/zinc/81/51/92/390815192.db2.gz HWMIKUACVOUVSZ-NSHDSACASA-N 0 3 294.355 1.097 20 5 CDBDHN C[C@H]1CNCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000026579416 391393645 /nfs/dbraw/zinc/39/36/45/391393645.db2.gz FKUBYYORONCDIQ-JTQLQIEISA-N 0 3 272.308 1.941 20 5 CDBDHN CN1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000521071609 391508571 /nfs/dbraw/zinc/50/85/71/391508571.db2.gz WYSHSHGUIHNZOH-NSHDSACASA-N 0 3 275.308 1.436 20 5 CDBDHN C[C@H]1CSCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000190393516 130098421 /nfs/dbraw/zinc/09/84/21/130098421.db2.gz BSVUZTAYUIDANZ-LLVKDONJSA-N 0 3 297.380 1.441 20 5 CDBDHN C[C@@H](O)CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190813754 130149856 /nfs/dbraw/zinc/14/98/56/130149856.db2.gz ZJRBNPCTAYTSRZ-NWDGAFQWSA-N 0 3 298.339 1.037 20 5 CDBDHN Cc1c(CN(C[C@H](C)O)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000190905023 130161601 /nfs/dbraw/zinc/16/16/01/130161601.db2.gz QKVWHAPTJBNZSI-QWRGUYRKSA-N 0 3 282.340 1.467 20 5 CDBDHN CC(COC(=O)[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496713339 391926312 /nfs/dbraw/zinc/92/63/12/391926312.db2.gz DFHRMOCYRUBZDM-YIZRAAEISA-N 0 3 288.300 1.108 20 5 CDBDHN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN1C ZINC000487121691 391991504 /nfs/dbraw/zinc/99/15/04/391991504.db2.gz UMQRAISTWZOPOV-GFCCVEGCSA-N 0 3 264.329 1.766 20 5 CDBDHN CCC[C@](C)(N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262211559 131202019 /nfs/dbraw/zinc/20/20/19/131202019.db2.gz DXTVQDFWYFJUSH-ZDUSSCGKSA-N 0 3 291.311 1.927 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000262757512 131258718 /nfs/dbraw/zinc/25/87/18/131258718.db2.gz HWALFZYFLVCMFS-JGVFFNPUSA-N 0 3 269.326 1.479 20 5 CDBDHN Nc1nc(NCCN2CCCCCC2)ncc1[N+](=O)[O-] ZINC000263942957 131365909 /nfs/dbraw/zinc/36/59/09/131365909.db2.gz GBLVNTPNRLJJOD-UHFFFAOYSA-N 0 3 280.332 1.255 20 5 CDBDHN Cc1cnc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000266181208 131696718 /nfs/dbraw/zinc/69/67/18/131696718.db2.gz CGZQFPOBGAUZOL-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1ncccc1[N+](=O)[O-] ZINC000420645047 392920769 /nfs/dbraw/zinc/92/07/69/392920769.db2.gz ZSXAQKBFPIQTEF-JTQLQIEISA-N 0 3 250.302 1.520 20 5 CDBDHN Cc1cccc(C(=O)N[C@@H]2CNCCC2(F)F)c1[N+](=O)[O-] ZINC000449658747 393137662 /nfs/dbraw/zinc/13/76/62/393137662.db2.gz UHJIXYCZECZMKZ-SNVBAGLBSA-N 0 3 299.277 1.630 20 5 CDBDHN Cc1c(CNC(=O)[C@@H](N)C(C)C)cccc1[N+](=O)[O-] ZINC000231856205 140219547 /nfs/dbraw/zinc/21/95/47/140219547.db2.gz DQTUMNQXQTWIDW-LBPRGKRZSA-N 0 3 265.313 1.503 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)nc1 ZINC000252667019 140320800 /nfs/dbraw/zinc/32/08/00/140320800.db2.gz FNFYPADALJCYQX-RYUDHWBXSA-N 0 3 278.312 1.265 20 5 CDBDHN C[C@@H]1CCN[C@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000423227170 397602897 /nfs/dbraw/zinc/60/28/97/397602897.db2.gz URUCMIYJZVCLRW-YPMHNXCESA-N 0 3 291.351 1.642 20 5 CDBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000184642094 148360311 /nfs/dbraw/zinc/36/03/11/148360311.db2.gz KVACJHALCOURHH-CYBMUJFWSA-N 0 3 293.367 1.841 20 5 CDBDHN C[C@H](C[C@H](C)O)NCc1ccc([N+](=O)[O-])cc1F ZINC000310918321 149204463 /nfs/dbraw/zinc/20/44/63/149204463.db2.gz GRDMKISSMRBSPB-BDAKNGLRSA-N 0 3 256.277 1.983 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CN(C)C ZINC000346130236 153062900 /nfs/dbraw/zinc/06/29/00/153062900.db2.gz GTAADSYQLFQSCF-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN Cc1ccc(CNC[C@@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000353709911 156031926 /nfs/dbraw/zinc/03/19/26/156031926.db2.gz SQWBABMWSRBSQI-QWHCGFSZSA-N 0 3 280.324 1.533 20 5 CDBDHN CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374912245 160326351 /nfs/dbraw/zinc/32/63/51/160326351.db2.gz NVTHVDTZMUJCMV-RISCZKNCSA-N 0 3 289.335 1.761 20 5 CDBDHN O=[N+]([O-])c1c(NCCN2CCCC2)nc2sccn21 ZINC000008374813 170333874 /nfs/dbraw/zinc/33/38/74/170333874.db2.gz RUCIUAYFMSCSQN-UHFFFAOYSA-N 0 3 281.341 1.812 20 5 CDBDHN CCOCC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285265555 196236123 /nfs/dbraw/zinc/23/61/23/196236123.db2.gz IFVDFYXHYLSSSY-CQSZACIVSA-N 0 3 296.367 1.857 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1([NH3+])CCC1 ZINC000230052749 292587891 /nfs/dbraw/zinc/58/78/91/292587891.db2.gz LKMMXHZXZFJIBW-UHFFFAOYSA-N 0 3 299.352 1.063 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460250 274343004 /nfs/dbraw/zinc/34/30/04/274343004.db2.gz DXUXMVRYSZGNMI-KOLCDFICSA-N 0 3 292.339 1.146 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H](N2CCCC2)C1 ZINC000171451140 275012765 /nfs/dbraw/zinc/01/27/65/275012765.db2.gz FTVNZRCBKYQDBQ-JTQLQIEISA-N 0 3 279.296 1.498 20 5 CDBDHN CCOc1cccc(N2CCN[C@@H](C)C2)c1[N+](=O)[O-] ZINC000122877201 276381442 /nfs/dbraw/zinc/38/14/42/276381442.db2.gz GBKLAXZVSWGCPI-JTQLQIEISA-N 0 3 265.313 1.792 20 5 CDBDHN CCN(C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000112926392 279333572 /nfs/dbraw/zinc/33/35/72/279333572.db2.gz RGALBTYJUQJDDR-FNORWQNLSA-N 0 3 295.314 1.815 20 5 CDBDHN C[C@@H](C(=O)N[C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000561768804 293102785 /nfs/dbraw/zinc/10/27/85/293102785.db2.gz VSXVSFGJIGDFMU-WDEREUQCSA-N 0 3 279.340 1.765 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](N2CCCC2)C1 ZINC000573007281 294736149 /nfs/dbraw/zinc/73/61/49/294736149.db2.gz JERBILDFAFHMAF-LBPRGKRZSA-N 0 3 293.371 1.794 20 5 CDBDHN CCOC(=O)C[C@H](C)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000182646936 323291588 /nfs/dbraw/zinc/29/15/88/323291588.db2.gz NKOXCTSAIXTTHG-JTQLQIEISA-N 0 3 284.316 1.065 20 5 CDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1 ZINC000578893659 324052380 /nfs/dbraw/zinc/05/23/80/324052380.db2.gz HTGLXOSXRPAJCN-ZDUSSCGKSA-N 0 3 293.323 1.232 20 5 CDBDHN N[C@H](CC(F)F)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000312735252 482836728 /nfs/dbraw/zinc/83/67/28/482836728.db2.gz WVOQDJZPYAMCCP-SNVBAGLBSA-N 0 3 287.266 1.236 20 5 CDBDHN CC[C@@H](C)NC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000037997189 522153436 /nfs/dbraw/zinc/15/34/36/522153436.db2.gz DVUUBHBRJUFGDL-LLVKDONJSA-N 0 3 279.340 1.989 20 5 CDBDHN CN1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000139759915 523851251 /nfs/dbraw/zinc/85/12/51/523851251.db2.gz YCIYLWUGUJVYFO-LBPRGKRZSA-N 0 3 278.312 1.811 20 5 CDBDHN C[C@H](O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212816 525835990 /nfs/dbraw/zinc/83/59/90/525835990.db2.gz SXGURKCDJVPVLM-NWDGAFQWSA-N 0 3 280.324 1.676 20 5 CDBDHN CC(C)[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236732146 535049516 /nfs/dbraw/zinc/04/95/16/535049516.db2.gz LSWJUUHZHBFGBP-ZDUSSCGKSA-N 0 3 277.324 1.463 20 5 CDBDHN CC(C)N1CCCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000727823090 574599742 /nfs/dbraw/zinc/59/97/42/574599742.db2.gz AHOIBMRESOLOBQ-UHFFFAOYSA-N 0 3 267.333 1.165 20 5 CDBDHN CCN(CC)CCOC(=O)c1cccc([N+](=O)[O-])c1N ZINC000772187279 575670019 /nfs/dbraw/zinc/67/00/19/575670019.db2.gz UIHQLFKSBVOQDO-UHFFFAOYSA-N 0 3 281.312 1.676 20 5 CDBDHN Cc1nn(C)c(NCCN2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000742425170 576602095 /nfs/dbraw/zinc/60/20/95/576602095.db2.gz LDBMMQSJVOADBC-VIFPVBQESA-N 0 3 267.333 1.533 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CCCCO2)c1 ZINC000749691702 576958136 /nfs/dbraw/zinc/95/81/36/576958136.db2.gz RCIQTXVISPCBOK-KGLIPLIRSA-N 0 3 280.324 1.787 20 5 CDBDHN CCOC(=O)CCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582441 617682198 /nfs/dbraw/zinc/68/21/98/617682198.db2.gz UMZJPHJTEPYBDZ-CYBMUJFWSA-N 0 3 296.323 1.513 20 5 CDBDHN CO[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591223 617689460 /nfs/dbraw/zinc/68/94/60/617689460.db2.gz HTZOENVAZMZTLF-OLZOCXBDSA-N 0 3 266.297 1.349 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1N(C)CCCC1(C)C ZINC000893573105 618145279 /nfs/dbraw/zinc/14/52/79/618145279.db2.gz WQQALRGOWAZLEC-NSHDSACASA-N 0 3 281.360 1.861 20 5 CDBDHN Cc1cnc(N2CC[C@@H]3CN(C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893941785 618206230 /nfs/dbraw/zinc/20/62/30/618206230.db2.gz WJLWHXJKOVEHGG-ZYHUDNBSSA-N 0 3 262.313 1.439 20 5 CDBDHN CC[C@H](CN1CCOCC1)NCc1csc([N+](=O)[O-])c1 ZINC000922590409 618277547 /nfs/dbraw/zinc/27/75/47/618277547.db2.gz SEZSIEWLXMORTK-GFCCVEGCSA-N 0 3 299.396 1.857 20 5 CDBDHN COc1ccc(C[C@H](C)N2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329768 1162338483 /nfs/dbraw/zinc/33/84/83/1162338483.db2.gz UCAOFXHAQCPGSH-DMDPSCGWSA-N 0 3 294.351 1.990 20 5 CDBDHN CCOc1cc(N[C@@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170570415 1162954813 /nfs/dbraw/zinc/95/48/13/1162954813.db2.gz BXDKPAABIDDYAJ-HZMBPMFUSA-N 0 3 295.339 1.782 20 5 CDBDHN Cc1cc(N[C@H]2CNCCC2(F)F)ncc1[N+](=O)[O-] ZINC001579635901 1172230296 /nfs/dbraw/zinc/23/02/96/1172230296.db2.gz NLERMTLDBOIVPN-VIFPVBQESA-N 0 3 272.255 1.707 20 5 CDBDHN CC(COC(=O)c1scc2c1OCCO2)[N+](=O)[O-] ZINC000847714852 790555005 /nfs/dbraw/zinc/55/50/05/790555005.db2.gz ZMESWWYFNZYOPE-ZCFIWIBFSA-N 0 3 273.266 1.341 20 5 CDBDHN C[C@H](N[C@@H](CO)CC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620349 790833376 /nfs/dbraw/zinc/83/33/76/790833376.db2.gz OLXDNGUZMOIXRJ-IONNQARKSA-N 0 3 289.282 1.844 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000229936373 791166075 /nfs/dbraw/zinc/16/60/75/791166075.db2.gz STAGZMLYTBUCSW-SNVBAGLBSA-N 0 3 279.275 1.784 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000088138637 791183630 /nfs/dbraw/zinc/18/36/30/791183630.db2.gz LZAGQCNITFYVCW-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN Cc1cc2ncc(C(=O)OCC(C)[N+](=O)[O-])c(C)n2n1 ZINC000813102324 791534026 /nfs/dbraw/zinc/53/40/26/791534026.db2.gz PRDVGJQZPLIPQI-QMMMGPOBSA-N 0 3 278.268 1.168 20 5 CDBDHN CC(COC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)[N+](=O)[O-] ZINC000845576637 791863610 /nfs/dbraw/zinc/86/36/10/791863610.db2.gz OIVZWGIMRLBQPW-HRDYMLBCSA-N 0 3 299.245 1.942 20 5 CDBDHN O=[N+]([O-])CCN1CCC[C@H]1Cn1cnc2ccccc21 ZINC000930092511 791931936 /nfs/dbraw/zinc/93/19/36/791931936.db2.gz ALZXNZXJZSFULZ-LBPRGKRZSA-N 0 3 274.324 1.777 20 5 CDBDHN CON(C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850482866 792355803 /nfs/dbraw/zinc/35/58/03/792355803.db2.gz VKXMHFFUHVJGLW-SNVBAGLBSA-N 0 3 253.302 1.739 20 5 CDBDHN CC(COC(=O)[C@H]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000845575952 792786855 /nfs/dbraw/zinc/78/68/55/792786855.db2.gz JLYBEUXZQVOCOS-MFKMUULPSA-N 0 3 263.293 2.000 20 5 CDBDHN Cc1c(CNCCCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000038048016 792811268 /nfs/dbraw/zinc/81/12/68/792811268.db2.gz BWOMHDXMRPZRMQ-UHFFFAOYSA-N 0 3 286.353 1.428 20 5 CDBDHN CO[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581268 793047637 /nfs/dbraw/zinc/04/76/37/793047637.db2.gz GIAJPMIESNXSQR-UONOGXRCSA-N 0 3 280.324 1.739 20 5 CDBDHN C[C@@H](N)c1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1 ZINC000124300367 793072185 /nfs/dbraw/zinc/07/21/85/793072185.db2.gz UIXRTUCEIUWKSV-SSDOTTSWSA-N 0 3 281.703 1.908 20 5 CDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000776582227 793321384 /nfs/dbraw/zinc/32/13/84/793321384.db2.gz MQTBNZMVRAEEBA-OLZOCXBDSA-N 0 3 266.297 1.349 20 5 CDBDHN CO[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000831535742 793438470 /nfs/dbraw/zinc/43/84/70/793438470.db2.gz ZJECXRDCRVGVDN-NILFDRSVSA-N 0 3 294.351 1.985 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3CC[C@H]2C3)c1C ZINC000897875599 795060848 /nfs/dbraw/zinc/06/08/48/795060848.db2.gz HJPKQZOZKOTHNN-LBPRGKRZSA-N 0 3 289.335 1.742 20 5 CDBDHN CC(=O)c1c(NC[C@@](C)(O)CN(C)C)cccc1[N+](=O)[O-] ZINC000882126662 795869173 /nfs/dbraw/zinc/86/91/73/795869173.db2.gz ARTJKAVSQIMFRU-CQSZACIVSA-N 0 3 295.339 1.522 20 5 CDBDHN Cc1noc(-c2ccccc2C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813113745 796400901 /nfs/dbraw/zinc/40/09/01/796400901.db2.gz UOKYEQJKNRTVRN-QMMMGPOBSA-N 0 3 291.263 1.867 20 5 CDBDHN C[C@@H]1COC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000699772559 914245680 /nfs/dbraw/zinc/24/56/80/914245680.db2.gz DOFRFDCEMHLFPR-KCJUWKMLSA-N 0 3 254.261 1.858 20 5 CDBDHN COC(=O)N(C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000689526333 936761775 /nfs/dbraw/zinc/76/17/75/936761775.db2.gz NLZOITDZPJZPEB-JTQLQIEISA-N 0 3 281.312 1.944 20 5 CDBDHN COC1C[C@@H]2COC[C@H](C1)N2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169024342 927664335 /nfs/dbraw/zinc/66/43/35/927664335.db2.gz GLKDBPMTQWDTSI-LSGALXMHSA-N 0 3 284.356 1.310 20 5 CDBDHN O=c1[nH]ccc2c1CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169047427 927666901 /nfs/dbraw/zinc/66/69/01/927666901.db2.gz QYNWVVXVAMLBKS-CMPLNLGQSA-N 0 3 277.324 1.591 20 5 CDBDHN Cc1cc(C)c(-n2nncc2CN)c(C)c1[N+](=O)[O-] ZINC001169310288 927945728 /nfs/dbraw/zinc/94/57/28/927945728.db2.gz UKOXIOCAOUYVHY-UHFFFAOYSA-N 0 3 261.285 1.559 20 5 CDBDHN NCc1cnnn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001169309711 927945899 /nfs/dbraw/zinc/94/58/99/927945899.db2.gz KKKAPERWEWEAEY-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN Cc1c(C)c([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CNCCO1 ZINC001159498455 930307086 /nfs/dbraw/zinc/30/70/86/930307086.db2.gz LULVCUJUIMPXBJ-PWSUYJOCSA-N 0 3 280.328 1.395 20 5 CDBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC001154063853 937498625 /nfs/dbraw/zinc/49/86/25/937498625.db2.gz CVQGPGLDUVHKSG-UHFFFAOYSA-N 0 3 283.353 1.662 20 5 CDBDHN Nc1cc(NCCN2CCCCC2)ncc1[N+](=O)[O-] ZINC001120883899 937844431 /nfs/dbraw/zinc/84/44/31/937844431.db2.gz OAZUIWKRRDNTJV-UHFFFAOYSA-N 0 3 265.317 1.470 20 5 CDBDHN C[C@@H](N)c1ccn(-c2nc(Cl)ncc2[N+](=O)[O-])n1 ZINC001158346438 938611435 /nfs/dbraw/zinc/61/14/35/938611435.db2.gz ZYVDAACJCLUHPH-RXMQYKEDSA-N 0 3 268.664 1.244 20 5 CDBDHN NCc1cn(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)cn1 ZINC001162296999 938973048 /nfs/dbraw/zinc/97/30/48/938973048.db2.gz SLGGPDZAKUZZCC-UHFFFAOYSA-N 0 3 258.241 1.116 20 5 CDBDHN CN1Cc2cc(-n3nccc3CN)cc([N+](=O)[O-])c2N1 ZINC001162597370 939099313 /nfs/dbraw/zinc/09/93/13/939099313.db2.gz MFDRJJVVULCHCX-UHFFFAOYSA-N 0 3 274.284 1.012 20 5 CDBDHN O=[N+]([O-])c1cccnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163650724 939298744 /nfs/dbraw/zinc/29/87/44/939298744.db2.gz RIUIMNICSPCUQM-GXTWGEPZSA-N 0 3 292.339 1.703 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CC(C)(N(C)C)C2)n1 ZINC001165117689 939511366 /nfs/dbraw/zinc/51/13/66/939511366.db2.gz JLQPHROYROQRLO-UHFFFAOYSA-N 0 3 264.329 1.747 20 5 CDBDHN CC[NH+]1CCC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227693353 942205055 /nfs/dbraw/zinc/20/50/55/942205055.db2.gz UHUFOYATPRTWQZ-UHFFFAOYSA-N 0 3 291.311 1.729 20 5 CDBDHN CC[N@@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227745735 942218424 /nfs/dbraw/zinc/21/84/24/942218424.db2.gz NQCFZMUOQOOOJU-JTQLQIEISA-N 0 3 276.296 1.944 20 5 CDBDHN CC[N@H+]1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227745735 942218432 /nfs/dbraw/zinc/21/84/32/942218432.db2.gz NQCFZMUOQOOOJU-JTQLQIEISA-N 0 3 276.296 1.944 20 5 CDBDHN N[C@H](CC1CC1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262035783 946392218 /nfs/dbraw/zinc/39/22/18/946392218.db2.gz VMOQJSWZCBPYDB-CYBMUJFWSA-N 0 3 275.308 1.564 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H](CO)c1cccnc1)C2 ZINC001254589766 947541862 /nfs/dbraw/zinc/54/18/62/947541862.db2.gz QRMVDGZIXBWIJO-ZBFHGGJFSA-N 0 3 299.330 1.780 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](F)[C@@H](O)C1)C2 ZINC001254597934 947547303 /nfs/dbraw/zinc/54/73/03/947547303.db2.gz JMLMZPFUKTUSML-MCIONIFRSA-N 0 3 280.299 1.467 20 5 CDBDHN CN1CC2(C1)CN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254610184 947555254 /nfs/dbraw/zinc/55/52/54/947555254.db2.gz ICFRCACKPFQNAB-CQSZACIVSA-N 0 3 273.336 1.309 20 5 CDBDHN O=[N+]([O-])c1cccc(-c2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)c1 ZINC001331762387 957246868 /nfs/dbraw/zinc/24/68/68/957246868.db2.gz MQNZADUXEMWMON-INTQDDNPSA-N 0 3 272.264 1.925 20 5 CDBDHN O=C(c1ccccc1)N1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC001334765445 959338764 /nfs/dbraw/zinc/33/87/64/959338764.db2.gz WWFXPHNTMLGXII-ZDUSSCGKSA-N 0 3 277.324 1.158 20 5 CDBDHN COC1(C(=O)OCC(C)[N+](=O)[O-])CCCCCC1 ZINC001344806559 964434689 /nfs/dbraw/zinc/43/46/89/964434689.db2.gz GBZSOSAUJMIRQG-SNVBAGLBSA-N 0 3 259.302 1.934 20 5 CDBDHN C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001605397434 1163548584 /nfs/dbraw/zinc/54/85/84/1163548584.db2.gz HLVLQVKBRKKLPZ-QMMMGPOBSA-N 0 3 291.315 1.137 20 5 CDBDHN C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001605397434 1163548587 /nfs/dbraw/zinc/54/85/87/1163548587.db2.gz HLVLQVKBRKKLPZ-QMMMGPOBSA-N 0 3 291.315 1.137 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC001578361260 1171885333 /nfs/dbraw/zinc/88/53/33/1171885333.db2.gz HKBLMZIDLINFBC-ZJUUUORDSA-N 0 3 297.359 1.645 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000601190628 342488377 /nfs/dbraw/zinc/48/83/77/342488377.db2.gz ATTPPWLLZPJZDS-SNVBAGLBSA-N 0 3 265.317 1.305 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000601185454 342489275 /nfs/dbraw/zinc/48/92/75/342489275.db2.gz UZDBTPVEEODMAR-NWDGAFQWSA-N 0 3 293.371 1.508 20 5 CDBDHN CC[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)O ZINC000590659867 342581442 /nfs/dbraw/zinc/58/14/42/342581442.db2.gz LBIIMZDKYQLEBQ-GXSJLCMTSA-N 0 3 296.323 1.615 20 5 CDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000046272696 342054779 /nfs/dbraw/zinc/05/47/79/342054779.db2.gz LRKHRNNXPFBGJG-SECBINFHSA-N 0 3 297.380 1.997 20 5 CDBDHN O=[N+]([O-])c1sccc1NC[C@H]1CCCN1CCCO ZINC000590708005 342585306 /nfs/dbraw/zinc/58/53/06/342585306.db2.gz FMRHUJRNLCGMOY-SNVBAGLBSA-N 0 3 285.369 1.915 20 5 CDBDHN O=C(NCCN1CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000046855536 342089558 /nfs/dbraw/zinc/08/95/58/342089558.db2.gz LJCAVNFBOXDZMF-UHFFFAOYSA-N 0 3 266.301 1.139 20 5 CDBDHN COc1ccc(CN[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000096811732 185115921 /nfs/dbraw/zinc/11/59/21/185115921.db2.gz YCJBBAVMCJNLNX-VIFPVBQESA-N 0 3 254.286 1.464 20 5 CDBDHN C[C@@H](CCO)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000593109028 342769186 /nfs/dbraw/zinc/76/91/86/342769186.db2.gz GLXCQPINLIMHNZ-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN C[C@H](CCO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496278 342914181 /nfs/dbraw/zinc/91/41/81/342914181.db2.gz YYFKUJLJAFMCOO-BXKDBHETSA-N 0 3 250.298 1.943 20 5 CDBDHN CC(C)C1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000619506669 349757714 /nfs/dbraw/zinc/75/77/14/349757714.db2.gz FEKGPKMGRIHEDG-ZDUSSCGKSA-N 0 3 294.351 1.922 20 5 CDBDHN CCc1nn(C)c(N2C[C@@H](C)N[C@@H](C)C2)c1[N+](=O)[O-] ZINC000091561231 349779016 /nfs/dbraw/zinc/77/90/16/349779016.db2.gz ZBFYJIRZBPZUNU-DTORHVGOSA-N 0 3 267.333 1.077 20 5 CDBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595435493 343060351 /nfs/dbraw/zinc/06/03/51/343060351.db2.gz GNXXWGZMEYNZIC-NWDGAFQWSA-N 0 3 295.314 1.868 20 5 CDBDHN C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1CCO ZINC000595706019 343127465 /nfs/dbraw/zinc/12/74/65/343127465.db2.gz WPCLWWNECZCVKN-RYUDHWBXSA-N 0 3 282.344 1.274 20 5 CDBDHN COCCC[N@H+](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596141223 343241865 /nfs/dbraw/zinc/24/18/65/343241865.db2.gz LMYCQUKUIHMUPW-UHFFFAOYSA-N 0 3 284.316 1.076 20 5 CDBDHN COCCC[N@@H+](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596141223 343241867 /nfs/dbraw/zinc/24/18/67/343241867.db2.gz LMYCQUKUIHMUPW-UHFFFAOYSA-N 0 3 284.316 1.076 20 5 CDBDHN COC[C@@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000382541787 362161184 /nfs/dbraw/zinc/16/11/84/362161184.db2.gz BDPKVMFWXYHNSU-GWCFXTLKSA-N 0 3 268.313 1.643 20 5 CDBDHN C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N(C)C ZINC000597802137 343642136 /nfs/dbraw/zinc/64/21/36/343642136.db2.gz YBJOUKSPKXEEKE-QMMMGPOBSA-N 0 3 295.295 1.003 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)N[C@@H](C)C2)n1 ZINC000599102339 343954649 /nfs/dbraw/zinc/95/46/49/343954649.db2.gz DHEMYZFYOAKBOM-PHIMTYICSA-N 0 3 264.329 1.793 20 5 CDBDHN C[C@@H](C(=O)NC[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000515401157 362310800 /nfs/dbraw/zinc/31/08/00/362310800.db2.gz MTTUSKHDRHQTPB-BXUZGUMPSA-N 0 3 291.351 1.909 20 5 CDBDHN CCN[C@@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602498672 344442355 /nfs/dbraw/zinc/44/23/55/344442355.db2.gz DNPJXRJXMQMDIG-QMMMGPOBSA-N 0 3 267.285 1.540 20 5 CDBDHN CCOC[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602784017 344598278 /nfs/dbraw/zinc/59/82/78/344598278.db2.gz GYAMOIYBPNKNKP-ZDUSSCGKSA-N 0 3 296.371 1.848 20 5 CDBDHN CO[C@@H](C)CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602826722 344612512 /nfs/dbraw/zinc/61/25/12/344612512.db2.gz JILQKQAKNQXPNH-VIFPVBQESA-N 0 3 256.306 1.066 20 5 CDBDHN CCCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159699580 362492961 /nfs/dbraw/zinc/49/29/61/362492961.db2.gz MFSBCTMEJQFNHU-UHFFFAOYSA-N 0 3 253.302 1.488 20 5 CDBDHN Nc1ccc(N2CC[C@@H](N3CCCCC3)C2)nc1[N+](=O)[O-] ZINC000314141946 344909838 /nfs/dbraw/zinc/90/98/38/344909838.db2.gz GLVNBIVKBZIRPW-LLVKDONJSA-N 0 3 291.355 1.637 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](O)CC2)c1 ZINC000293133885 362531901 /nfs/dbraw/zinc/53/19/01/362531901.db2.gz NBJRBJOZYNHTNN-UONOGXRCSA-N 0 3 280.324 1.475 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H]3CCC[C@@H]32)c1 ZINC000610762681 346398287 /nfs/dbraw/zinc/39/82/87/346398287.db2.gz NXSMNHXKKHVNHF-LNSITVRQSA-N 0 3 292.335 1.819 20 5 CDBDHN CN(C)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000610764491 346399520 /nfs/dbraw/zinc/39/95/20/346399520.db2.gz ZKYYRJFFSLKTQV-LBPRGKRZSA-N 0 3 280.328 1.147 20 5 CDBDHN C[C@H](NC(=O)NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000133476024 299154623 /nfs/dbraw/zinc/15/46/23/299154623.db2.gz YBKBZDNSIFYUBI-JTQLQIEISA-N 0 3 280.328 1.517 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)CC1CC1 ZINC000064516008 348942760 /nfs/dbraw/zinc/94/27/60/348942760.db2.gz ILPNKFFFBUQGRK-UHFFFAOYSA-N 0 3 280.324 1.678 20 5 CDBDHN CN(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000273486699 192170225 /nfs/dbraw/zinc/17/02/25/192170225.db2.gz RPWBSHMUJQGOIO-UHFFFAOYSA-N 0 3 296.302 1.950 20 5 CDBDHN COC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000069913092 349110985 /nfs/dbraw/zinc/11/09/85/349110985.db2.gz VLRNAPXOFMJZFZ-GFCCVEGCSA-N 0 3 254.286 1.082 20 5 CDBDHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000105871198 186080721 /nfs/dbraw/zinc/08/07/21/186080721.db2.gz MLYGSBOGPNQUBS-PWSUYJOCSA-N 0 3 287.323 1.852 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000292166353 198188645 /nfs/dbraw/zinc/18/86/45/198188645.db2.gz PDEILJSFGZRUFH-UHFFFAOYSA-N 0 3 250.298 1.942 20 5 CDBDHN CC(C)C(=O)NCCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000157397037 188314606 /nfs/dbraw/zinc/31/46/06/188314606.db2.gz JVIWLWFTPBRGSC-UHFFFAOYSA-N 0 3 293.367 1.841 20 5 CDBDHN C[C@H](NCCC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037751831 356528498 /nfs/dbraw/zinc/52/84/98/356528498.db2.gz YUCBBFSMQLEATO-JTQLQIEISA-N 0 3 265.313 1.724 20 5 CDBDHN CCOc1cccc(NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000135060202 357315089 /nfs/dbraw/zinc/31/50/89/357315089.db2.gz LOIXLOQSSLHYAB-SNVBAGLBSA-N 0 3 281.312 1.394 20 5 CDBDHN CN(CCN(C)C1CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186741343 357682588 /nfs/dbraw/zinc/68/25/88/357682588.db2.gz PHXGECULRCJHCK-HNNXBMFYSA-N 0 3 293.367 1.654 20 5 CDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408122509 358164389 /nfs/dbraw/zinc/16/43/89/358164389.db2.gz XWUFSEWGOHXAAA-KOLCDFICSA-N 0 3 293.327 1.017 20 5 CDBDHN CC1=CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280820736 358650474 /nfs/dbraw/zinc/65/04/74/358650474.db2.gz NHPXGRHBZJLHIL-AWEZNQCLSA-N 0 3 292.335 1.987 20 5 CDBDHN CC[C@@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341583089 358666309 /nfs/dbraw/zinc/66/63/09/358666309.db2.gz JZLPQDFZIAKQAV-LLVKDONJSA-N 0 3 265.313 1.631 20 5 CDBDHN CC(C)[C@H](CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000342194083 358959606 /nfs/dbraw/zinc/95/96/06/358959606.db2.gz DUXWREZNRLBMIF-LBPRGKRZSA-N 0 3 252.314 1.949 20 5 CDBDHN CO[C@@]1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000573814181 359068138 /nfs/dbraw/zinc/06/81/38/359068138.db2.gz CAYRJPZKSOFJAQ-UKRRQHHQSA-N 0 3 292.335 1.977 20 5 CDBDHN COCCN(C)C[C@@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000313947529 359154027 /nfs/dbraw/zinc/15/40/27/359154027.db2.gz BRPIOWHWXBTLSV-GFCCVEGCSA-N 0 3 298.339 1.221 20 5 CDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000112926275 359365224 /nfs/dbraw/zinc/36/52/24/359365224.db2.gz YRIUFBLWLMHENI-UHFFFAOYSA-N 0 3 271.342 1.646 20 5 CDBDHN Cc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000408469902 359820073 /nfs/dbraw/zinc/82/00/73/359820073.db2.gz SYEQKJSNTLJYPJ-OCCSQVGLSA-N 0 3 289.335 1.679 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177088645 189028063 /nfs/dbraw/zinc/02/80/63/189028063.db2.gz ZVICZJFWFCPEDX-CMPLNLGQSA-N 0 3 289.335 1.950 20 5 CDBDHN CN1CC=C(CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000342790843 360756084 /nfs/dbraw/zinc/75/60/84/360756084.db2.gz RGXRQXIYGSMCBC-UHFFFAOYSA-N 0 3 293.352 1.978 20 5 CDBDHN C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000581168600 363968653 /nfs/dbraw/zinc/96/86/53/363968653.db2.gz CUVRCDUJLDIAIA-VHSXEESVSA-N 0 3 295.343 1.168 20 5 CDBDHN CC(=O)NCCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173304970 364027246 /nfs/dbraw/zinc/02/72/46/364027246.db2.gz HATATYCYEDYEPS-SNVBAGLBSA-N 0 3 265.313 1.772 20 5 CDBDHN CCOC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173439353 364044349 /nfs/dbraw/zinc/04/43/49/364044349.db2.gz BVXIWJNCPLVTRT-GWCFXTLKSA-N 0 3 268.313 1.643 20 5 CDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000457127191 365415564 /nfs/dbraw/zinc/41/55/64/365415564.db2.gz RLRHDIBGEHBCHJ-JTQLQIEISA-N 0 3 280.328 1.478 20 5 CDBDHN CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270917004 366944574 /nfs/dbraw/zinc/94/45/74/366944574.db2.gz OPDNTQNYJCBAGI-AAEUAGOBSA-N 0 3 280.324 1.676 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])c(N)c1F ZINC000420641646 244306048 /nfs/dbraw/zinc/30/60/48/244306048.db2.gz UVSTXYNBFFTSBD-SECBINFHSA-N 0 3 282.319 1.847 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCN1CCCOCC1 ZINC000289548695 197398332 /nfs/dbraw/zinc/39/83/32/197398332.db2.gz XLANQNVEITZGSS-UHFFFAOYSA-N 0 3 279.340 1.407 20 5 CDBDHN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000266040381 373769726 /nfs/dbraw/zinc/76/97/26/373769726.db2.gz CJPSEFQAXFUPHG-PSASIEDQSA-N 0 3 295.343 1.039 20 5 CDBDHN Cc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000266040381 373769736 /nfs/dbraw/zinc/76/97/36/373769736.db2.gz CJPSEFQAXFUPHG-PSASIEDQSA-N 0 3 295.343 1.039 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@](O)(C2CC2)C1 ZINC000368472843 373842958 /nfs/dbraw/zinc/84/29/58/373842958.db2.gz BGDJPRCTQULPHF-AWEZNQCLSA-N 0 3 262.309 1.942 20 5 CDBDHN CC(C)(C)CCN1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273588986 373908799 /nfs/dbraw/zinc/90/87/99/373908799.db2.gz GXGGLSHSDWWDKK-UHFFFAOYSA-N 0 3 293.371 1.943 20 5 CDBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356889675 374535333 /nfs/dbraw/zinc/53/53/33/374535333.db2.gz BSOZWMITINMDTR-UHFFFAOYSA-N 0 3 277.324 1.761 20 5 CDBDHN COCC(C)(C)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000429242629 374575375 /nfs/dbraw/zinc/57/53/75/374575375.db2.gz WEUMVEDIJVPLJG-UHFFFAOYSA-N 0 3 256.306 1.148 20 5 CDBDHN CC[C@@H](O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000124670249 374834982 /nfs/dbraw/zinc/83/49/82/374834982.db2.gz ZVCLTTPJBSPOTL-SNVBAGLBSA-N 0 3 254.286 1.464 20 5 CDBDHN C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000347251293 374998578 /nfs/dbraw/zinc/99/85/78/374998578.db2.gz ANEBKOFUBPPZME-MRVPVSSYSA-N 0 3 284.291 1.806 20 5 CDBDHN Cc1cc(NC(=O)N[C@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000350786541 375243540 /nfs/dbraw/zinc/24/35/40/375243540.db2.gz MWWDCKJHDHGUJM-SNVBAGLBSA-N 0 3 280.328 1.975 20 5 CDBDHN NC(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000353196855 375585563 /nfs/dbraw/zinc/58/55/63/375585563.db2.gz XYAXHSGELMVICV-SECBINFHSA-N 0 3 291.229 1.143 20 5 CDBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000353354278 375599786 /nfs/dbraw/zinc/59/97/86/375599786.db2.gz QRPYXFHCQIVYAO-UHFFFAOYSA-N 0 3 294.355 1.871 20 5 CDBDHN C[C@H](O)C[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000269849040 375807845 /nfs/dbraw/zinc/80/78/45/375807845.db2.gz SXXJKIDZIMJBDQ-WDEREUQCSA-N 0 3 268.317 1.027 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@](C)(CO)C1CCCCC1 ZINC000355335760 375790650 /nfs/dbraw/zinc/79/06/50/375790650.db2.gz OTBAHMSDSRBHKG-CQSZACIVSA-N 0 3 296.371 1.749 20 5 CDBDHN Cc1c([C@@H](C)N[C@H]2CCC(=O)NC2)cccc1[N+](=O)[O-] ZINC000358132846 375952246 /nfs/dbraw/zinc/95/22/46/375952246.db2.gz OWPYFGKBHSKAEB-MNOVXSKESA-N 0 3 277.324 1.832 20 5 CDBDHN CS[C@@H](CO)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000219070052 375944758 /nfs/dbraw/zinc/94/47/58/375944758.db2.gz HQLMGGWYMUQMKO-SKDRFNHKSA-N 0 3 270.354 1.797 20 5 CDBDHN C[C@@H](O)CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000249005407 376117932 /nfs/dbraw/zinc/11/79/32/376117932.db2.gz ZJRBNPCTAYTSRZ-VXGBXAGGSA-N 0 3 298.339 1.037 20 5 CDBDHN CC[C@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000344205835 379255187 /nfs/dbraw/zinc/25/51/87/379255187.db2.gz AOWHFGQCLTXPBD-GFCCVEGCSA-N 0 3 252.318 1.913 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC2(CO)CCSCC2)cc1 ZINC000459732227 285114183 /nfs/dbraw/zinc/11/41/83/285114183.db2.gz RNHBZBIVEWURMM-UHFFFAOYSA-N 0 3 282.365 1.943 20 5 CDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000288425998 197074358 /nfs/dbraw/zinc/07/43/58/197074358.db2.gz OALKQGLKFLHEKV-ZJUUUORDSA-N 0 3 293.327 1.017 20 5 CDBDHN CC(C)N1CC[C@H](N(C)c2ccc([N+](=O)[O-])cn2)C1 ZINC000450951437 390581867 /nfs/dbraw/zinc/58/18/67/390581867.db2.gz PQGHJLQEGUDEAS-LBPRGKRZSA-N 0 3 264.329 1.909 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CCCN(C)C1 ZINC000192598370 391711709 /nfs/dbraw/zinc/71/17/09/391711709.db2.gz GJEHNYRUMNTCJJ-GFCCVEGCSA-N 0 3 295.387 1.898 20 5 CDBDHN CC[C@@]1(CO)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000189611728 130001084 /nfs/dbraw/zinc/00/10/84/130001084.db2.gz RUCLQXCNFJUCTJ-LBPRGKRZSA-N 0 3 268.317 1.028 20 5 CDBDHN C[C@@H](O)CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190829309 130151581 /nfs/dbraw/zinc/15/15/81/130151581.db2.gz IGXFVMYHOGTDQG-NWDGAFQWSA-N 0 3 298.339 1.037 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC(C)(C)C1 ZINC000459743262 392503920 /nfs/dbraw/zinc/50/39/20/392503920.db2.gz PQGACWOBDPVJHJ-UHFFFAOYSA-N 0 3 279.340 1.877 20 5 CDBDHN CC[C@@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000419218010 392887899 /nfs/dbraw/zinc/88/78/99/392887899.db2.gz FKLVAWKFUWXVBY-YPMHNXCESA-N 0 3 294.355 1.901 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](CCO)CC2)n1 ZINC000421026258 392927875 /nfs/dbraw/zinc/92/78/75/392927875.db2.gz ZXQOPLXTYHAZTE-LBPRGKRZSA-N 0 3 282.344 1.276 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)CC ZINC000422086128 392952127 /nfs/dbraw/zinc/95/21/27/392952127.db2.gz NVEOVMFMEWDDKO-GFCCVEGCSA-N 0 3 268.313 1.854 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CNC1(CO)CCCC1 ZINC000430200031 393091253 /nfs/dbraw/zinc/09/12/53/393091253.db2.gz DXPBTCRMWQEATR-UHFFFAOYSA-N 0 3 280.324 1.998 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2CCO)cc1 ZINC000426269965 393039858 /nfs/dbraw/zinc/03/98/58/393039858.db2.gz HAINHUDWBSZUEH-GFCCVEGCSA-N 0 3 280.324 1.820 20 5 CDBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)S1 ZINC000531143307 393057284 /nfs/dbraw/zinc/05/72/84/393057284.db2.gz QKWUNVYKFQKHHF-NXEZZACHSA-N 0 3 270.358 1.617 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCCCNC1=O ZINC000449073902 393129496 /nfs/dbraw/zinc/12/94/96/393129496.db2.gz JOJCDANUILZEQH-AAEUAGOBSA-N 0 3 291.351 1.784 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H](O)C1 ZINC000351943448 393207491 /nfs/dbraw/zinc/20/74/91/393207491.db2.gz GEPWLQBVVBACJQ-GIPNMCIBSA-N 0 3 250.298 1.968 20 5 CDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccccc1[N+](=O)[O-] ZINC000275837778 135114066 /nfs/dbraw/zinc/11/40/66/135114066.db2.gz PHUYTINHLRJDBY-GFCCVEGCSA-N 0 3 293.367 1.876 20 5 CDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]1 ZINC000166789071 139929919 /nfs/dbraw/zinc/92/99/19/139929919.db2.gz RFCWJOFZDNVCDQ-SNVBAGLBSA-N 0 3 299.352 1.015 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237068480 140250816 /nfs/dbraw/zinc/25/08/16/140250816.db2.gz CLNLDRTZQCUDJF-GXFFZTMASA-N 0 3 294.355 1.496 20 5 CDBDHN C[C@@H]1C[C@@H]1N1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759075 398133963 /nfs/dbraw/zinc/13/39/63/398133963.db2.gz KBPUEAUDWHSBTN-LOWVWBTDSA-N 0 3 291.355 1.551 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000104189407 147186809 /nfs/dbraw/zinc/18/68/09/147186809.db2.gz FDRZLXRPCSSGFZ-JTQLQIEISA-N 0 3 293.323 1.285 20 5 CDBDHN Cc1c([C@@H](C)N[C@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000343096194 152029642 /nfs/dbraw/zinc/02/96/42/152029642.db2.gz MDINSJGVDDXVMD-PSASIEDQSA-N 0 3 265.313 1.818 20 5 CDBDHN C[C@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CCCN1C ZINC000343571685 152228589 /nfs/dbraw/zinc/22/85/89/152228589.db2.gz ZXDSEHXYCOFGHG-VHSXEESVSA-N 0 3 250.302 1.884 20 5 CDBDHN Cc1nn(C)c(N[C@@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343596369 152238190 /nfs/dbraw/zinc/23/81/90/152238190.db2.gz HCACDTPPAHQYGB-NXEZZACHSA-N 0 3 267.333 1.531 20 5 CDBDHN CCN1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000346169315 153080370 /nfs/dbraw/zinc/08/03/70/153080370.db2.gz QDLYOABGADIPCL-NWDGAFQWSA-N 0 3 281.360 1.206 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354072576 156252968 /nfs/dbraw/zinc/25/29/68/156252968.db2.gz JGXRNVHQKMWROJ-HQJQHLMTSA-N 0 3 291.311 1.205 20 5 CDBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)CCC1 ZINC000354157187 156294577 /nfs/dbraw/zinc/29/45/77/156294577.db2.gz GTYDVDFTELJNMR-UHFFFAOYSA-N 0 3 280.328 1.479 20 5 CDBDHN O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](N2CCCC2)C1 ZINC000363631784 159336119 /nfs/dbraw/zinc/33/61/19/159336119.db2.gz RNPBSECOATTXEH-LLVKDONJSA-N 0 3 295.364 1.967 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC3CCC2CC3)c1 ZINC000371387922 160004178 /nfs/dbraw/zinc/00/41/78/160004178.db2.gz KWRVWDPJNCFOMC-UHFFFAOYSA-N 0 3 250.302 1.666 20 5 CDBDHN CCn1cncc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000518940563 265237205 /nfs/dbraw/zinc/23/72/05/265237205.db2.gz XLCUNEBWFQPHBX-UHFFFAOYSA-N 0 3 290.323 1.980 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1CNCCO1)CCC2 ZINC000423543179 275038492 /nfs/dbraw/zinc/03/84/92/275038492.db2.gz BOIFUCFWTUPEJA-UKRRQHHQSA-N 0 3 291.351 1.550 20 5 CDBDHN CC1(C)CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1 ZINC000420264327 275852249 /nfs/dbraw/zinc/85/22/49/275852249.db2.gz ARYSXJJLOLYLHQ-UHFFFAOYSA-N 0 3 287.323 1.726 20 5 CDBDHN COC[C@@]1(CO)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924149 277256696 /nfs/dbraw/zinc/25/66/96/277256696.db2.gz IGUIILSKDAPSHA-WFASDCNBSA-N 0 3 294.351 1.987 20 5 CDBDHN C[C@@H](N[C@@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])cc1 ZINC000111015472 278367953 /nfs/dbraw/zinc/36/79/53/278367953.db2.gz IEWKTEFDDQFKSC-MWLCHTKSSA-N 0 3 263.297 1.524 20 5 CDBDHN CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344615445 278859763 /nfs/dbraw/zinc/85/97/63/278859763.db2.gz ICFHMFCVPYQLOA-UHFFFAOYSA-N 0 3 282.344 1.583 20 5 CDBDHN CC(C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N(C)C ZINC000269323210 279787548 /nfs/dbraw/zinc/78/75/48/279787548.db2.gz MENHFMHGRZDOMJ-AWEZNQCLSA-N 0 3 293.367 1.840 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021067 281115042 /nfs/dbraw/zinc/11/50/42/281115042.db2.gz NKKJUPNKUXVSGY-PWSUYJOCSA-N 0 3 294.355 1.346 20 5 CDBDHN CN(C)CCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254886467 289345374 /nfs/dbraw/zinc/34/53/74/289345374.db2.gz UVXZOGULBXHLCZ-TWGQIWQCSA-N 0 3 277.324 1.628 20 5 CDBDHN CO[C@]1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000573814180 294893142 /nfs/dbraw/zinc/89/31/42/294893142.db2.gz CAYRJPZKSOFJAQ-HIFRSBDPSA-N 0 3 292.335 1.977 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCNCC2=CCCOC2)cc1 ZINC000379766146 323606353 /nfs/dbraw/zinc/60/63/53/323606353.db2.gz JDBRXWKONJASKO-UHFFFAOYSA-N 0 3 278.308 1.910 20 5 CDBDHN CC[C@@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582073182 324898762 /nfs/dbraw/zinc/89/87/62/324898762.db2.gz VYIDZPXRFZGAKB-CABZTGNLSA-N 0 3 250.298 1.943 20 5 CDBDHN CCN(C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049337632 520232367 /nfs/dbraw/zinc/23/23/67/520232367.db2.gz WXBAIAGZMHWLDL-UHFFFAOYSA-N 0 3 266.301 1.668 20 5 CDBDHN CCOc1cc(NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000157404962 520762667 /nfs/dbraw/zinc/76/26/67/520762667.db2.gz GKQBFSOWKLPPTP-LLVKDONJSA-N 0 3 281.312 1.394 20 5 CDBDHN CCN(CCOC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273044427 528562696 /nfs/dbraw/zinc/56/26/96/528562696.db2.gz PQPXWRTZECZTTF-LBPRGKRZSA-N 0 3 298.339 1.303 20 5 CDBDHN CC(C)(O)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189900291 535299691 /nfs/dbraw/zinc/29/96/91/535299691.db2.gz HPVMEQPMCGSDAT-CQSZACIVSA-N 0 3 294.351 1.864 20 5 CDBDHN COCCCC[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892588634 617522175 /nfs/dbraw/zinc/52/21/75/617522175.db2.gz IFKNADZOGWZOST-UHFFFAOYSA-N 0 3 284.312 1.825 20 5 CDBDHN CC1CCN(CCNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891830383 617630040 /nfs/dbraw/zinc/63/00/40/617630040.db2.gz PWGYALDGSIAWGP-UHFFFAOYSA-N 0 3 267.333 1.472 20 5 CDBDHN COc1c(O)ccc(CN[C@]2(C)CCO[C@H]2C)c1[N+](=O)[O-] ZINC000893522532 618025145 /nfs/dbraw/zinc/02/51/45/618025145.db2.gz UWHOKIUDAUEHEH-LKFCYVNXSA-N 0 3 296.323 1.966 20 5 CDBDHN CCc1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC000893046438 618094043 /nfs/dbraw/zinc/09/40/43/618094043.db2.gz BMTOFBRIZFAJRN-QMMMGPOBSA-N 0 3 281.312 1.407 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CN(C)C[C@@H]21 ZINC000893938744 618200101 /nfs/dbraw/zinc/20/01/01/618200101.db2.gz FPEMOMGAONYBII-QWRGUYRKSA-N 0 3 279.344 1.260 20 5 CDBDHN C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CCN(C2CC2)C1 ZINC000893999659 618241460 /nfs/dbraw/zinc/24/14/60/618241460.db2.gz JODJNWXNKVCWAR-JTQLQIEISA-N 0 3 279.344 1.249 20 5 CDBDHN COc1cccc([C@H]2C[C@H](NCC[N+](=O)[O-])C2)c1 ZINC000905281080 626734858 /nfs/dbraw/zinc/73/48/58/626734858.db2.gz QCJXAGRDVYPQET-HAQNSBGRSA-N 0 3 250.298 1.808 20 5 CDBDHN CC[C@H](CO)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000916570804 632018424 /nfs/dbraw/zinc/01/84/24/632018424.db2.gz WAQKLZJDIVQIHH-SNVBAGLBSA-N 0 3 281.312 1.202 20 5 CDBDHN C[C@H](Nc1ccc2c([N+](=O)[O-])c[nH]c2n1)[C@@H]1CNCCO1 ZINC001170565319 1162929956 /nfs/dbraw/zinc/92/99/56/1162929956.db2.gz UVZQJDBXVBRIBE-KWQFWETISA-N 0 3 291.311 1.260 20 5 CDBDHN Cc1cc(CN)nn1-c1ncc([N+](=O)[O-])cc1F ZINC001156039117 1161984478 /nfs/dbraw/zinc/98/44/78/1161984478.db2.gz NBNRKPAATNLJEA-UHFFFAOYSA-N 0 3 251.221 1.082 20 5 CDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000813108893 1163815766 /nfs/dbraw/zinc/81/57/66/1163815766.db2.gz BTJDVIJOGWVBCU-SSDOTTSWSA-N 0 3 298.251 1.734 20 5 CDBDHN CCn1ncc2cc(C(=O)OCC(C)[N+](=O)[O-])c(C)nc21 ZINC000813114445 1163818277 /nfs/dbraw/zinc/81/82/77/1163818277.db2.gz BLODYLITAQYSHV-MRVPVSSYSA-N 0 3 292.295 1.582 20 5 CDBDHN C[C@@H](N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000124353492 796528152 /nfs/dbraw/zinc/52/81/52/796528152.db2.gz GYOPVRRPFJMMBY-SECBINFHSA-N 0 3 261.285 1.449 20 5 CDBDHN C[C@H](NC1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000036331094 797310090 /nfs/dbraw/zinc/31/00/90/797310090.db2.gz SMILXLUYKZSOMU-JTQLQIEISA-N 0 3 298.364 1.823 20 5 CDBDHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCC[N+](=O)[O-] ZINC000930760571 797813922 /nfs/dbraw/zinc/81/39/22/797813922.db2.gz JXYHQBUBLWTHTI-GHMZBOCLSA-N 0 3 287.360 1.689 20 5 CDBDHN Cc1ccn2cc(C(=O)OCC(C)[N+](=O)[O-])nc2c1 ZINC000813110994 797817327 /nfs/dbraw/zinc/81/73/27/797817327.db2.gz NTWUYDRYHBJGHN-VIFPVBQESA-N 0 3 263.253 1.465 20 5 CDBDHN COc1cnc(N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001167272999 895011616 /nfs/dbraw/zinc/01/16/16/895011616.db2.gz MHYXMIWYPPZSOJ-QMMMGPOBSA-N 0 3 252.274 1.114 20 5 CDBDHN Cc1c(CNCC[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000158095127 911726803 /nfs/dbraw/zinc/72/68/03/911726803.db2.gz FADQNSADARZKLP-KRWDZBQOSA-N 0 3 256.327 1.371 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(N[C@H]2CCN(C3CCC3)C2)n1 ZINC001161176787 936387248 /nfs/dbraw/zinc/38/72/48/936387248.db2.gz FDXIRVHGOMSWDQ-JTQLQIEISA-N 0 3 277.328 1.732 20 5 CDBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000828987994 936398482 /nfs/dbraw/zinc/39/84/82/936398482.db2.gz PAADUXBHQNKBPU-RNCFNFMXSA-N 0 3 265.288 1.874 20 5 CDBDHN CC(COC(=O)c1cnn(-c2ccncc2)c1)[N+](=O)[O-] ZINC000835455819 936734573 /nfs/dbraw/zinc/73/45/73/936734573.db2.gz PGGQOBPHZWDHCP-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN Cc1cc(CN)nn1-c1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001163985872 924453893 /nfs/dbraw/zinc/45/38/93/924453893.db2.gz HVKMPFMVKKPSLT-UHFFFAOYSA-N 0 3 275.312 1.614 20 5 CDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1[N-]OCC[NH3+] ZINC001164429601 924881411 /nfs/dbraw/zinc/88/14/11/924881411.db2.gz MLGDUPNZRCCCCU-UHFFFAOYSA-N 0 3 269.257 1.074 20 5 CDBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000851035873 927504059 /nfs/dbraw/zinc/50/40/59/927504059.db2.gz BYYKXFMRGCHEHD-MRVPVSSYSA-N 0 3 253.254 1.826 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](n2cnc3c2CNCC3)C1 ZINC001169010701 927617012 /nfs/dbraw/zinc/61/70/12/927617012.db2.gz FQPZSCQAXWEXBE-UWVGGRQHSA-N 0 3 250.302 1.147 20 5 CDBDHN Cc1cnc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)s1 ZINC001168988442 927626970 /nfs/dbraw/zinc/62/69/70/927626970.db2.gz SKMIYADTKHCZEM-NXEZZACHSA-N 0 3 255.343 1.987 20 5 CDBDHN CC1(O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586350 927749364 /nfs/dbraw/zinc/74/93/64/927749364.db2.gz NBDBWVBDIOSATN-CYBMUJFWSA-N 0 3 280.324 1.475 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000776598402 927794496 /nfs/dbraw/zinc/79/44/96/927794496.db2.gz MXVWSTMKXFCWFH-LALPHHSUSA-N 0 3 293.367 1.653 20 5 CDBDHN C[C@@H](N)c1ccn(-c2cccc3ncc([N+](=O)[O-])n32)n1 ZINC001169233729 927850823 /nfs/dbraw/zinc/85/08/23/927850823.db2.gz CLHRUIUXYZSCJO-MRVPVSSYSA-N 0 3 272.268 1.448 20 5 CDBDHN NCc1nn(-c2ncc([N+](=O)[O-])cc2F)c2ccccc12 ZINC001156855915 929016460 /nfs/dbraw/zinc/01/64/60/929016460.db2.gz SKJVGZGQCOVMID-UHFFFAOYSA-N 0 3 287.254 1.927 20 5 CDBDHN CC(COC(=O)c1c[nH]c(C(F)(F)F)c1)[N+](=O)[O-] ZINC000797279160 937326599 /nfs/dbraw/zinc/32/65/99/937326599.db2.gz JPBXMXIFWWCPDK-RXMQYKEDSA-N 0 3 266.175 1.856 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000884153915 930462517 /nfs/dbraw/zinc/46/25/17/930462517.db2.gz VIJFNRBZXCAIJG-LBPRGKRZSA-N 0 3 277.324 1.381 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884508931 930586689 /nfs/dbraw/zinc/58/66/89/930586689.db2.gz SKNOWXVJCISGNV-JTQLQIEISA-N 0 3 290.323 1.477 20 5 CDBDHN CC(C)(CCC(=O)N[C@@H]1CCN(C2CC2)C1)[N+](=O)[O-] ZINC000822767664 931207183 /nfs/dbraw/zinc/20/71/83/931207183.db2.gz CITMBUWPCVAQMC-SNVBAGLBSA-N 0 3 269.345 1.175 20 5 CDBDHN CC(C)(C)OC(=O)NC[C@@H](NCC[N+](=O)[O-])C(C)(C)C ZINC000930314689 933356904 /nfs/dbraw/zinc/35/69/04/933356904.db2.gz GTBHWNCFXNYLDP-SNVBAGLBSA-N 0 3 289.376 1.792 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CC2)c(F)c1 ZINC000778088198 933717937 /nfs/dbraw/zinc/71/79/37/933717937.db2.gz MVWNTHJUYCTENL-LBPRGKRZSA-N 0 3 254.261 1.594 20 5 CDBDHN C[C@@H]1[C@H](O)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832220246 934803577 /nfs/dbraw/zinc/80/35/77/934803577.db2.gz PUDZGWJNZMOEMN-WQAKAFBOSA-N 0 3 266.297 1.083 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)n1 ZINC001158351054 938613164 /nfs/dbraw/zinc/61/31/64/938613164.db2.gz SKHLWZNOQNWJNB-SSDOTTSWSA-N 0 3 272.268 1.677 20 5 CDBDHN Cc1c(C)c(-n2ccc([C@H](C)N)n2)ncc1[N+](=O)[O-] ZINC001158350744 938613222 /nfs/dbraw/zinc/61/32/22/938613222.db2.gz OCXLSTWRFHUGJU-VIFPVBQESA-N 0 3 261.285 1.812 20 5 CDBDHN CN1CCN(c2ncc([N+](=O)[O-])cc2N)C2(CCCC2)C1 ZINC001158410349 938619106 /nfs/dbraw/zinc/61/91/06/938619106.db2.gz QPYVGUZCJKCLBX-UHFFFAOYSA-N 0 3 291.355 1.637 20 5 CDBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN4CC[C@@H]4C3)c2c1 ZINC001158423228 938621799 /nfs/dbraw/zinc/62/17/99/938621799.db2.gz JFRXHIHXNONGSB-LLVKDONJSA-N 0 3 285.307 1.432 20 5 CDBDHN CC(C)OC(=O)[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001163402645 939263395 /nfs/dbraw/zinc/26/33/95/939263395.db2.gz XNFZFONAEXXOEM-VIFPVBQESA-N 0 3 293.323 1.950 20 5 CDBDHN CN1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226168840 941962525 /nfs/dbraw/zinc/96/25/25/941962525.db2.gz VLBHIPWLNKKLJR-JTQLQIEISA-N 0 3 279.296 1.167 20 5 CDBDHN CCN1CC[C@@H](Oc2ccc(C)nc2[N+](=O)[O-])C1 ZINC001227222599 942151989 /nfs/dbraw/zinc/15/19/89/942151989.db2.gz SGUDKNZNHWZVOE-SNVBAGLBSA-N 0 3 251.286 1.771 20 5 CDBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3C[NH+]4CCC3CC4)[n-]c2c1 ZINC001227747216 942217266 /nfs/dbraw/zinc/21/72/66/942217266.db2.gz YQKACCBKZGAONQ-CYBMUJFWSA-N 0 3 288.307 1.944 20 5 CDBDHN CC(C)N1CCC[C@@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228656124 942348913 /nfs/dbraw/zinc/34/89/13/942348913.db2.gz ZQWQZWSAQBQOMB-SNVBAGLBSA-N 0 3 266.301 1.636 20 5 CDBDHN C[C@]1(O)COCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592075 947542092 /nfs/dbraw/zinc/54/20/92/947542092.db2.gz AERVCTRNOBYLDK-LSDHHAIUSA-N 0 3 292.335 1.145 20 5 CDBDHN N[C@]1(C(F)(F)F)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001246565440 948281502 /nfs/dbraw/zinc/28/15/02/948281502.db2.gz CANLKEXNCRGTHQ-KXUCPTDWSA-N 0 3 281.278 1.397 20 5 CDBDHN CO[C@@H](C)[C@@H](C)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308930908 956600058 /nfs/dbraw/zinc/60/00/58/956600058.db2.gz MSVVPJMRZLWBKG-RDBQEKCUSA-N 0 3 298.339 1.002 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]1CN1CCCC1 ZINC000586759886 342467018 /nfs/dbraw/zinc/46/70/18/342467018.db2.gz DIIBJWITVOBYIK-JTQLQIEISA-N 0 3 293.327 1.018 20 5 CDBDHN COCc1cc([N+](=O)[O-])ccc1NCCN1CC[C@H](O)C1 ZINC000599199820 343979905 /nfs/dbraw/zinc/97/99/05/343979905.db2.gz RJKAVNHOVVWTMP-ZDUSSCGKSA-N 0 3 295.339 1.220 20 5 CDBDHN C[C@H](N[C@@H]1COCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601303207 342550942 /nfs/dbraw/zinc/55/09/42/342550942.db2.gz AHUYFKGLISHYKL-ZWKOPEQDSA-N 0 3 266.297 1.395 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1COCC[C@H]1O)CCC2 ZINC000601306494 342551270 /nfs/dbraw/zinc/55/12/70/342551270.db2.gz KCDWKJHWMMGQON-RRFJBIMHSA-N 0 3 292.335 1.712 20 5 CDBDHN CNC(=O)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000070183882 361763629 /nfs/dbraw/zinc/76/36/29/361763629.db2.gz KQVGKHLZIZOZJF-UHFFFAOYSA-N 0 3 251.286 1.211 20 5 CDBDHN COC1(CO)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000401741556 342652605 /nfs/dbraw/zinc/65/26/05/342652605.db2.gz HETLOCHSNRYFSN-UHFFFAOYSA-N 0 3 294.351 1.611 20 5 CDBDHN CC1(C)CN[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000591668579 342641221 /nfs/dbraw/zinc/64/12/21/342641221.db2.gz HJBACQUIOBYALJ-GFCCVEGCSA-N 0 3 277.324 1.252 20 5 CDBDHN CC(C)Cn1nccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000592366119 342689616 /nfs/dbraw/zinc/68/96/16/342689616.db2.gz XPLLJRRVQKASRB-UHFFFAOYSA-N 0 3 292.343 1.434 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CNc3ccnn3C2)cc1 ZINC000609406125 342293066 /nfs/dbraw/zinc/29/30/66/342293066.db2.gz NZYDNRSDQQDDFR-GFCCVEGCSA-N 0 3 287.323 1.623 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(O)CCOC1 ZINC000595036582 342997907 /nfs/dbraw/zinc/99/79/07/342997907.db2.gz SFQITFSYCDYJSS-IINYFYTJSA-N 0 3 296.323 1.405 20 5 CDBDHN CC(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000595253010 343011441 /nfs/dbraw/zinc/01/14/41/343011441.db2.gz KUONOIHMSAEMKV-UHFFFAOYSA-N 0 3 277.324 1.478 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000596145125 343243206 /nfs/dbraw/zinc/24/32/06/343243206.db2.gz GUYSTPGVPSNPIL-BDAKNGLRSA-N 0 3 266.301 1.590 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000596145125 343243207 /nfs/dbraw/zinc/24/32/07/343243207.db2.gz GUYSTPGVPSNPIL-BDAKNGLRSA-N 0 3 266.301 1.590 20 5 CDBDHN C[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000596145127 343243244 /nfs/dbraw/zinc/24/32/44/343243244.db2.gz GUYSTPGVPSNPIL-IUCAKERBSA-N 0 3 266.301 1.590 20 5 CDBDHN C[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000596145127 343243246 /nfs/dbraw/zinc/24/32/46/343243246.db2.gz GUYSTPGVPSNPIL-IUCAKERBSA-N 0 3 266.301 1.590 20 5 CDBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596184409 343251036 /nfs/dbraw/zinc/25/10/36/343251036.db2.gz GPAYGKKVXCJRNN-UHFFFAOYSA-N 0 3 290.323 1.368 20 5 CDBDHN CC(C)(C)[N@@H+]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596334502 343297653 /nfs/dbraw/zinc/29/76/53/343297653.db2.gz ANJRKKBIFYZKRG-VIFPVBQESA-N 0 3 280.328 1.980 20 5 CDBDHN CC(C)(C)[N@H+]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596334502 343297656 /nfs/dbraw/zinc/29/76/56/343297656.db2.gz ANJRKKBIFYZKRG-VIFPVBQESA-N 0 3 280.328 1.980 20 5 CDBDHN Cc1c([C@@H](C)NC[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000090848499 342397568 /nfs/dbraw/zinc/39/75/68/342397568.db2.gz GZUMDJTWDBLLTP-RISCZKNCSA-N 0 3 280.324 1.705 20 5 CDBDHN C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000600994782 342442599 /nfs/dbraw/zinc/44/25/99/342442599.db2.gz HIPMCVQAKCRRCH-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN CC[C@H](O)[C@@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780778 344596358 /nfs/dbraw/zinc/59/63/58/344596358.db2.gz RTIOFZZNQLDDEM-STQMWFEESA-N 0 3 296.371 1.725 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000537610117 282374341 /nfs/dbraw/zinc/37/43/41/282374341.db2.gz DPTUMYVCPHMXLB-GXFFZTMASA-N 0 3 292.339 1.100 20 5 CDBDHN C[C@@](CO)(NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000610485060 346291169 /nfs/dbraw/zinc/29/11/69/346291169.db2.gz IYKWNQVTTSDWRB-AWEZNQCLSA-N 0 3 290.323 1.289 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCN(C3CC3)C2)s1 ZINC000226770098 346522375 /nfs/dbraw/zinc/52/23/75/346522375.db2.gz OTYFRVJSNLVFFV-QMMMGPOBSA-N 0 3 268.342 1.948 20 5 CDBDHN CC(C)N(CCO)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000584596039 346495847 /nfs/dbraw/zinc/49/58/47/346495847.db2.gz JQXRZKAPJFWEAT-CYBMUJFWSA-N 0 3 268.313 1.331 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCCN(C)C)C2)n1 ZINC000611132729 346617059 /nfs/dbraw/zinc/61/70/59/346617059.db2.gz DBDPMHUJNJEVGR-GFCCVEGCSA-N 0 3 294.355 1.455 20 5 CDBDHN CC1(C)[C@@H](O)C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000129355215 362931592 /nfs/dbraw/zinc/93/15/92/362931592.db2.gz RLNOORODEVRWSN-RYUDHWBXSA-N 0 3 250.298 1.844 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3CCCO3)C2)nc1 ZINC000072665027 349128066 /nfs/dbraw/zinc/12/80/66/349128066.db2.gz CYCUINWRZBJZFE-AAEUAGOBSA-N 0 3 292.339 1.655 20 5 CDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000273976833 192386744 /nfs/dbraw/zinc/38/67/44/192386744.db2.gz PZYLEYFFJMPLTE-IUCAKERBSA-N 0 3 263.301 1.422 20 5 CDBDHN C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCCC1 ZINC000516389413 363088412 /nfs/dbraw/zinc/08/84/12/363088412.db2.gz TVUJKJNFOQDGAK-SECBINFHSA-N 0 3 283.353 1.870 20 5 CDBDHN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000122359082 187028779 /nfs/dbraw/zinc/02/87/79/187028779.db2.gz QHNJWGCKACOQPX-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000122359082 187028780 /nfs/dbraw/zinc/02/87/80/187028780.db2.gz QHNJWGCKACOQPX-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN CNC(=O)CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000154772909 188160860 /nfs/dbraw/zinc/16/08/60/188160860.db2.gz YDQVQFDWPZYCDX-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(NC[C@@H](C)N(C)C)c1 ZINC000155805579 188228804 /nfs/dbraw/zinc/22/88/04/188228804.db2.gz IOGABYOFNOUYMR-SECBINFHSA-N 0 3 253.302 1.965 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC000250973522 366114149 /nfs/dbraw/zinc/11/41/49/366114149.db2.gz FANVQKSICOJYMY-RYUDHWBXSA-N 0 3 292.339 1.573 20 5 CDBDHN C[C@H](CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000036932579 363293805 /nfs/dbraw/zinc/29/38/05/363293805.db2.gz VHRVLCYYTRHVLB-GFCCVEGCSA-N 0 3 279.340 1.405 20 5 CDBDHN CC(C)C[C@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423829673 535315681 /nfs/dbraw/zinc/31/56/81/535315681.db2.gz SFROWOCPNMXIOU-LBPRGKRZSA-N 0 3 292.339 1.248 20 5 CDBDHN COCC[C@H](CO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000282381712 357340461 /nfs/dbraw/zinc/34/04/61/357340461.db2.gz XKRNDTCRDJBEAN-DIECRNLCSA-N 0 3 280.324 1.595 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCN(C)C1CC1 ZINC000186794236 357692129 /nfs/dbraw/zinc/69/21/29/357692129.db2.gz LMEPNNDZWQBYRF-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN COc1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1[O-] ZINC000188853757 357945142 /nfs/dbraw/zinc/94/51/42/357945142.db2.gz SOJRQIMTXZTXGJ-ONGXEEELSA-N 0 3 296.323 1.560 20 5 CDBDHN O=C1NCCC[C@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569806870 359263487 /nfs/dbraw/zinc/26/34/87/359263487.db2.gz IGBGZVSWKBHWGS-LBPRGKRZSA-N 0 3 289.335 1.479 20 5 CDBDHN CN(C)C[C@](C)(O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000153999851 237025849 /nfs/dbraw/zinc/02/58/49/237025849.db2.gz UPRMBZBSJVNYBU-CYBMUJFWSA-N 0 3 296.327 1.029 20 5 CDBDHN Nc1c(F)c(N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000548121655 360278977 /nfs/dbraw/zinc/27/89/77/360278977.db2.gz IOOHEOOIERYJQR-JTQLQIEISA-N 0 3 294.330 1.991 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCC(O)CC2)n1 ZINC000178179318 189095590 /nfs/dbraw/zinc/09/55/90/189095590.db2.gz ABUVVTMGRHSLCG-UHFFFAOYSA-N 0 3 294.355 1.557 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N(C)C ZINC000168611519 364003810 /nfs/dbraw/zinc/00/38/10/364003810.db2.gz VBJVSDOUWZHHRV-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N(C)C ZINC000037985613 363962459 /nfs/dbraw/zinc/96/24/59/363962459.db2.gz ISGRBULISBLQOB-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN Cc1ccc(CN2CC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000414496553 241232005 /nfs/dbraw/zinc/23/20/05/241232005.db2.gz IONVNINDOVJFCT-ZDUSSCGKSA-N 0 3 291.351 1.813 20 5 CDBDHN Cc1ccc(NC(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000414657946 241306343 /nfs/dbraw/zinc/30/63/43/241306343.db2.gz KUNYGTQAYIMCIY-NSHDSACASA-N 0 3 294.311 1.013 20 5 CDBDHN C[C@]1(F)CNCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000414766267 241376101 /nfs/dbraw/zinc/37/61/01/241376101.db2.gz HJSYPTNQYDAYAQ-ZDUSSCGKSA-N 0 3 267.304 1.728 20 5 CDBDHN CN(C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000417165140 242344024 /nfs/dbraw/zinc/34/40/24/242344024.db2.gz VQUSFBWZLZWIMW-UHFFFAOYSA-N 0 3 296.302 1.950 20 5 CDBDHN C[C@@H](NCCN1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000361348037 368764098 /nfs/dbraw/zinc/76/40/98/368764098.db2.gz GPFHCLJLGZEVFX-CYBMUJFWSA-N 0 3 293.367 1.968 20 5 CDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN[C@@H](C)C1 ZINC000420334576 244102513 /nfs/dbraw/zinc/10/25/13/244102513.db2.gz IZHUMQMHIXXBPV-QWRGUYRKSA-N 0 3 292.339 1.216 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000330888254 203355103 /nfs/dbraw/zinc/35/51/03/203355103.db2.gz GDGBOWNOUGOZBW-AAEUAGOBSA-N 0 3 291.351 1.736 20 5 CDBDHN C[C@@H](N[C@@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000266834971 296148565 /nfs/dbraw/zinc/14/85/65/296148565.db2.gz FITSQDJGHMSAAF-WDEREUQCSA-N 0 3 275.312 1.926 20 5 CDBDHN Cc1ccc(CN[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000168768138 371432069 /nfs/dbraw/zinc/43/20/69/371432069.db2.gz IIEQVTQPRUKCQZ-LLVKDONJSA-N 0 3 251.330 1.943 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(N)CCCC1 ZINC000037810271 373397712 /nfs/dbraw/zinc/39/77/12/373397712.db2.gz ITGCJHFJVCCZFC-UHFFFAOYSA-N 0 3 277.324 1.825 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@](O)(C2CC2)C1 ZINC000376467969 374559900 /nfs/dbraw/zinc/55/99/00/374559900.db2.gz ICYOAUHQUXVRAO-HNNXBMFYSA-N 0 3 292.335 1.820 20 5 CDBDHN C[C@@H](O)C[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000447840953 374717118 /nfs/dbraw/zinc/71/71/18/374717118.db2.gz VOCINVCSDAOKLO-VXGBXAGGSA-N 0 3 282.344 1.417 20 5 CDBDHN COCC[C@@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000281736964 375055624 /nfs/dbraw/zinc/05/56/24/375055624.db2.gz VFIREWYCSJZRHQ-SWLSCSKDSA-N 0 3 294.351 1.959 20 5 CDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302242792 375183495 /nfs/dbraw/zinc/18/34/95/375183495.db2.gz YRTSZDKAUUSGBV-UHFFFAOYSA-N 0 3 287.266 1.946 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@]3(CCOC3)C2)c1 ZINC000305166785 375562207 /nfs/dbraw/zinc/56/22/07/375562207.db2.gz HWZIAXUXUGYZPZ-HUUCEWRRSA-N 0 3 292.335 1.741 20 5 CDBDHN CN(C)CCn1cc(Nc2cccnc2[N+](=O)[O-])cn1 ZINC000604508572 375680871 /nfs/dbraw/zinc/68/08/71/375680871.db2.gz WNVDVUYCDPNJCP-UHFFFAOYSA-N 0 3 276.300 1.492 20 5 CDBDHN C[C@H]1[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000357064874 375881717 /nfs/dbraw/zinc/88/17/17/375881717.db2.gz JREOIKJIRWOQNM-STQMWFEESA-N 0 3 293.367 1.998 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)C1 ZINC000171451041 376626718 /nfs/dbraw/zinc/62/67/18/376626718.db2.gz GPVCSFZJFCUAIW-AWEZNQCLSA-N 0 3 289.335 1.905 20 5 CDBDHN COc1ccc(NC(=O)[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000543929847 377722932 /nfs/dbraw/zinc/72/29/32/377722932.db2.gz ABVFJEZFAOXDTC-VIFPVBQESA-N 0 3 279.296 1.494 20 5 CDBDHN COCCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173469914 378455456 /nfs/dbraw/zinc/45/54/56/378455456.db2.gz ATMXPOUSLHJMMR-LBPRGKRZSA-N 0 3 294.355 1.903 20 5 CDBDHN COc1ccc(CNC(=O)C2(N)CCCC2)cc1[N+](=O)[O-] ZINC000490059206 253026465 /nfs/dbraw/zinc/02/64/65/253026465.db2.gz LGZVSDUKCRBKLS-UHFFFAOYSA-N 0 3 293.323 1.491 20 5 CDBDHN CN(C)C/C=C\C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000491890565 253114189 /nfs/dbraw/zinc/11/41/89/253114189.db2.gz XKBQQCPRLIWZDQ-TWGQIWQCSA-N 0 3 277.324 1.671 20 5 CDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCF ZINC000281172245 195134613 /nfs/dbraw/zinc/13/46/13/195134613.db2.gz WJZJWRVEQLVGAJ-VIFPVBQESA-N 0 3 269.276 1.871 20 5 CDBDHN CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000497246713 254046764 /nfs/dbraw/zinc/04/67/64/254046764.db2.gz XNXKMRGQBYCVEO-BDAKNGLRSA-N 0 3 290.316 1.498 20 5 CDBDHN CO[C@]1(C)C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451484683 390626929 /nfs/dbraw/zinc/62/69/29/390626929.db2.gz HJATYIHVGNTVMQ-GXFFZTMASA-N 0 3 282.344 1.622 20 5 CDBDHN CCO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000451537906 390630507 /nfs/dbraw/zinc/63/05/07/390630507.db2.gz IWTJGPCRFKZKJY-NEPJUHHUSA-N 0 3 282.344 1.538 20 5 CDBDHN CC(C)[C@@H](CO)[C@H](NCc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000451589760 390633286 /nfs/dbraw/zinc/63/32/86/390633286.db2.gz ASYPCQXCDCAFDT-DGCLKSJQSA-N 0 3 298.387 1.707 20 5 CDBDHN CN1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286704006 390682511 /nfs/dbraw/zinc/68/25/11/390682511.db2.gz CFWDTDWJKBUJLM-UHFFFAOYSA-N 0 3 293.352 1.741 20 5 CDBDHN Cc1cc(NC(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000415416938 391408497 /nfs/dbraw/zinc/40/84/97/391408497.db2.gz LSALZMWHUVGXCF-LLVKDONJSA-N 0 3 294.311 1.013 20 5 CDBDHN COC[C@H](CCO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268971386 391475246 /nfs/dbraw/zinc/47/52/46/391475246.db2.gz AOYNVQYNULMJNG-NEPJUHHUSA-N 0 3 282.340 1.951 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@]2(CCN(C)C2)C1 ZINC000520310415 391781459 /nfs/dbraw/zinc/78/14/59/391781459.db2.gz IQBFPEGBPKXYFH-AWEZNQCLSA-N 0 3 293.371 1.652 20 5 CDBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CNCCC1(F)F ZINC000591674141 391981171 /nfs/dbraw/zinc/98/11/71/391981171.db2.gz ICFJBOLLTFZLEK-JTQLQIEISA-N 0 3 299.277 1.456 20 5 CDBDHN CN(C)CCN(C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000267108842 392083022 /nfs/dbraw/zinc/08/30/22/392083022.db2.gz YHJKQAGDQWMFNX-UHFFFAOYSA-N 0 3 294.355 1.340 20 5 CDBDHN CCN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000078454490 392929224 /nfs/dbraw/zinc/92/92/24/392929224.db2.gz WFRZNCJMBTUDGE-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN CCn1nnc(C)c1CNCCc1ccccc1[N+](=O)[O-] ZINC000449167247 393131348 /nfs/dbraw/zinc/13/13/48/393131348.db2.gz IVWUYDZOKRDKIZ-UHFFFAOYSA-N 0 3 289.339 1.847 20 5 CDBDHN COc1ccc(CN[C@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228112718 140191177 /nfs/dbraw/zinc/19/11/77/140191177.db2.gz PBLHYCYWQXXGSX-NXEZZACHSA-N 0 3 268.313 1.852 20 5 CDBDHN CCCC[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236797346 140245609 /nfs/dbraw/zinc/24/56/09/140245609.db2.gz RLDLDCOCJPOSHY-ZDUSSCGKSA-N 0 3 294.355 1.640 20 5 CDBDHN COCCCN(C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000438349719 397626792 /nfs/dbraw/zinc/62/67/92/397626792.db2.gz ZRZLRACXYUBSDT-DAXSKMNVSA-N 0 3 294.351 1.939 20 5 CDBDHN CCO[C@@H]1C[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176260364 148032590 /nfs/dbraw/zinc/03/25/90/148032590.db2.gz LZCPUQRYSKYVIV-NWDGAFQWSA-N 0 3 296.371 1.927 20 5 CDBDHN C[C@H](NC(=O)[C@]1(F)CCNC1)c1cccc([N+](=O)[O-])c1 ZINC000178401304 148058299 /nfs/dbraw/zinc/05/82/99/148058299.db2.gz ZJNLKIMTVSURFU-ZANVPECISA-N 0 3 281.287 1.474 20 5 CDBDHN CCO[C@@H]1COC[C@H]1N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449727626 286232406 /nfs/dbraw/zinc/23/24/06/286232406.db2.gz QVSZPKMRIXPUTE-UXIGCNINSA-N 0 3 294.351 1.919 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)C2CCOCC2)c1 ZINC000359852775 158398860 /nfs/dbraw/zinc/39/88/60/158398860.db2.gz VRJWTZSUUPKEAE-CQSZACIVSA-N 0 3 280.324 1.472 20 5 CDBDHN C[C@H]1COCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000372217115 160092584 /nfs/dbraw/zinc/09/25/84/160092584.db2.gz OBXCCIYKAIWTKX-GFCCVEGCSA-N 0 3 280.324 1.942 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCCn2ccnc2)c1 ZINC000039170045 174164842 /nfs/dbraw/zinc/16/48/42/174164842.db2.gz BKUBVRWPHDGTEI-UHFFFAOYSA-N 0 3 260.297 1.971 20 5 CDBDHN CN1CCC[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000044537636 175199971 /nfs/dbraw/zinc/19/99/71/175199971.db2.gz LJTRKRGDSJFOPI-SNVBAGLBSA-N 0 3 250.302 1.744 20 5 CDBDHN COC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000071273126 176104950 /nfs/dbraw/zinc/10/49/50/176104950.db2.gz ICBGUHWAWFWHQY-NSHDSACASA-N 0 3 254.286 1.000 20 5 CDBDHN C[C@]1(F)CNCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414765373 263040918 /nfs/dbraw/zinc/04/09/18/263040918.db2.gz BXOWYDFQXLKIOZ-ZDUSSCGKSA-N 0 3 285.294 1.867 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@H]2CO)c(F)c1 ZINC000312722224 270323465 /nfs/dbraw/zinc/32/34/65/270323465.db2.gz KCDMXWKGAKSVSH-GWCFXTLKSA-N 0 3 268.288 1.985 20 5 CDBDHN CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000270394844 274182158 /nfs/dbraw/zinc/18/21/58/274182158.db2.gz UBKBAFFIJBVETJ-VXGBXAGGSA-N 0 3 296.396 1.780 20 5 CDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CCN1 ZINC000052783417 274594421 /nfs/dbraw/zinc/59/44/21/274594421.db2.gz RPCQJLYILGGCHW-JTQLQIEISA-N 0 3 272.308 1.941 20 5 CDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286492590 279088813 /nfs/dbraw/zinc/08/88/13/279088813.db2.gz RLSDFNLWVCXKQF-ZJUUUORDSA-N 0 3 292.343 1.030 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000520977278 281062614 /nfs/dbraw/zinc/06/26/14/281062614.db2.gz GKMSKQKOGNPNRU-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021066 281115170 /nfs/dbraw/zinc/11/51/70/281115170.db2.gz NKKJUPNKUXVSGY-JQWIXIFHSA-N 0 3 294.355 1.346 20 5 CDBDHN CCCN1CCC(N(C)C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548083523 289840293 /nfs/dbraw/zinc/84/02/93/289840293.db2.gz UJZHNFDHPMFZCP-UHFFFAOYSA-N 0 3 295.343 1.264 20 5 CDBDHN Cc1ncc(CNCCc2cccc([N+](=O)[O-])c2)n1C ZINC000574412686 294996926 /nfs/dbraw/zinc/99/69/26/294996926.db2.gz DURVOFADAJPMGL-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN CCN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO1 ZINC000176245522 482477065 /nfs/dbraw/zinc/47/70/65/482477065.db2.gz VYDFPJRTSLXRIN-NSHDSACASA-N 0 3 268.317 1.292 20 5 CDBDHN Cc1ccn(CCN2CCC(C)CC2)c(=O)c1[N+](=O)[O-] ZINC000155900406 534340967 /nfs/dbraw/zinc/34/09/67/534340967.db2.gz ZRKHPMSIAGXSIU-UHFFFAOYSA-N 0 3 279.340 1.797 20 5 CDBDHN C[C@H](NC(=O)C(N)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353136528 525168011 /nfs/dbraw/zinc/16/80/11/525168011.db2.gz XNGQSFWCXDGORP-RCOVLWMOSA-N 0 3 291.229 1.662 20 5 CDBDHN C[C@H](NC[C@@H]1CN(C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802072 525399173 /nfs/dbraw/zinc/39/91/73/525399173.db2.gz DNBZWBQBXXUICB-SWLSCSKDSA-N 0 3 292.383 1.491 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C)CC1 ZINC000248141667 525455835 /nfs/dbraw/zinc/45/58/35/525455835.db2.gz QIULYJOSHVYPKB-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802077 525484964 /nfs/dbraw/zinc/48/49/64/525484964.db2.gz DNBZWBQBXXUICB-IUODEOHRSA-N 0 3 292.383 1.491 20 5 CDBDHN COc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262761298 536888191 /nfs/dbraw/zinc/88/81/91/536888191.db2.gz IMXOJZQKQSHYNU-VHSXEESVSA-N 0 3 293.323 1.426 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(CCO)CC2)c1 ZINC000750067754 576974658 /nfs/dbraw/zinc/97/46/58/576974658.db2.gz RIDJSYKRKGZREE-HNNXBMFYSA-N 0 3 294.351 1.723 20 5 CDBDHN CN(C)CCNC(=S)NCCc1cccc([N+](=O)[O-])c1 ZINC000758268481 577092967 /nfs/dbraw/zinc/09/29/67/577092967.db2.gz PKSDLVUGADFTFY-UHFFFAOYSA-N 0 3 296.396 1.163 20 5 CDBDHN CC(COC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)[N+](=O)[O-] ZINC000845576646 617370544 /nfs/dbraw/zinc/37/05/44/617370544.db2.gz OIVZWGIMRLBQPW-VGMNWLOBSA-N 0 3 299.245 1.942 20 5 CDBDHN COc1c(O)ccc(CN(C)C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000892180425 617533369 /nfs/dbraw/zinc/53/33/69/617533369.db2.gz PIMKTZQTZFYUMM-SNVBAGLBSA-N 0 3 296.323 1.777 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]CC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000893531540 618043929 /nfs/dbraw/zinc/04/39/29/618043929.db2.gz KTFNTYHYTXBOPL-SNVBAGLBSA-N 0 3 296.323 1.825 20 5 CDBDHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000893048463 618100442 /nfs/dbraw/zinc/10/04/42/618100442.db2.gz VPQRSUZIRNFOIG-SECBINFHSA-N 0 3 268.269 1.231 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]CCCF)c1[N+](=O)[O-] ZINC000893123664 618200559 /nfs/dbraw/zinc/20/05/59/618200559.db2.gz LRAUPEDPRUUXCC-UHFFFAOYSA-N 0 3 258.249 1.758 20 5 CDBDHN COc1c(O)ccc(CNCCCF)c1[N+](=O)[O-] ZINC000893123664 618200563 /nfs/dbraw/zinc/20/05/63/618200563.db2.gz LRAUPEDPRUUXCC-UHFFFAOYSA-N 0 3 258.249 1.758 20 5 CDBDHN CCN(CC)[C@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905066839 626614461 /nfs/dbraw/zinc/61/44/61/626614461.db2.gz UENKVEIDLDNEPW-LLVKDONJSA-N 0 3 255.318 1.529 20 5 CDBDHN C[C@@H](CN1CCN(c2ccccc2)CC1)NCC[N+](=O)[O-] ZINC000905132201 626646716 /nfs/dbraw/zinc/64/67/16/626646716.db2.gz KPPPQIKPYGBWCS-AWEZNQCLSA-N 0 3 292.383 1.063 20 5 CDBDHN C[C@H](C[C@H](O)c1ccc(F)cc1)NCC[N+](=O)[O-] ZINC000905363833 626783858 /nfs/dbraw/zinc/78/38/58/626783858.db2.gz GUKRPHQJLPFQIZ-SKDRFNHKSA-N 0 3 256.277 1.504 20 5 CDBDHN COCC1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000905971971 627061935 /nfs/dbraw/zinc/06/19/35/627061935.db2.gz PVZLHSBEBYPRHT-UHFFFAOYSA-N 0 3 293.323 1.502 20 5 CDBDHN CCOCCN(CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154174990 632075291 /nfs/dbraw/zinc/07/52/91/632075291.db2.gz HKHABDBDIZMYNF-CQSZACIVSA-N 0 3 282.340 1.987 20 5 CDBDHN COc1ccc(C[C@@H](C)N2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327653 1162337821 /nfs/dbraw/zinc/33/78/21/1162337821.db2.gz GVQKUEOZXMMZRN-ZYHUDNBSSA-N 0 3 280.324 1.601 20 5 CDBDHN Cc1c(CNC[C@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000873062174 1165508522 /nfs/dbraw/zinc/50/85/22/1165508522.db2.gz ZAUSPZVYSCFZKV-AWEZNQCLSA-N 0 3 290.323 1.460 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H](CO)[C@H](CO)C1 ZINC000879696077 1166397323 /nfs/dbraw/zinc/39/73/23/1166397323.db2.gz HOBYNNVRHQCNTF-UPJWGTAASA-N 0 3 294.351 1.497 20 5 CDBDHN C[C@@H](NC(=O)OC1CNC1)c1ccccc1[N+](=O)[O-] ZINC001579413245 1172171325 /nfs/dbraw/zinc/17/13/25/1172171325.db2.gz UZDAKOFLBVWMRE-MRVPVSSYSA-N 0 3 265.269 1.354 20 5 CDBDHN C[C@@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603912897 1175683139 /nfs/dbraw/zinc/68/31/39/1175683139.db2.gz UBHDOEWFUUYGPR-SECBINFHSA-N 0 3 288.311 1.617 20 5 CDBDHN C[C@@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603912897 1175683142 /nfs/dbraw/zinc/68/31/42/1175683142.db2.gz UBHDOEWFUUYGPR-SECBINFHSA-N 0 3 288.311 1.617 20 5 CDBDHN C[C@@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603912897 1175683146 /nfs/dbraw/zinc/68/31/46/1175683146.db2.gz UBHDOEWFUUYGPR-SECBINFHSA-N 0 3 288.311 1.617 20 5 CDBDHN C[C@@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603912897 1175683149 /nfs/dbraw/zinc/68/31/49/1175683149.db2.gz UBHDOEWFUUYGPR-SECBINFHSA-N 0 3 288.311 1.617 20 5 CDBDHN CC[C@@H]1CN(CC)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886234601 805368802 /nfs/dbraw/zinc/36/88/02/805368802.db2.gz QYDCOYAPMHXVQC-CYBMUJFWSA-N 0 3 278.356 1.906 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(CCCO)C2CC2)cc1 ZINC000776585609 811650548 /nfs/dbraw/zinc/65/05/48/811650548.db2.gz XUNKIDMNMGJYOD-AWEZNQCLSA-N 0 3 280.324 1.475 20 5 CDBDHN O=C(OC[C@@H]1CCN1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000851468828 811957486 /nfs/dbraw/zinc/95/74/86/811957486.db2.gz GSFNRMUKKXOQTQ-BFHYXJOUSA-N 0 3 290.319 1.469 20 5 CDBDHN CC(COC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)[N+](=O)[O-] ZINC000813109027 812071230 /nfs/dbraw/zinc/07/12/30/812071230.db2.gz DMSYENBAUFXDLD-SFYZADRCSA-N 0 3 294.263 1.228 20 5 CDBDHN O=[N+]([O-])c1ncccc1CNC1(CO)CCSCC1 ZINC000886242855 814314748 /nfs/dbraw/zinc/31/47/48/814314748.db2.gz GOFIKQILBDWLSG-UHFFFAOYSA-N 0 3 283.353 1.338 20 5 CDBDHN Cc1nn(C)c2ncc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813106172 814363375 /nfs/dbraw/zinc/36/33/75/814363375.db2.gz ZXAWZHXBRGNPJP-SSDOTTSWSA-N 0 3 278.268 1.099 20 5 CDBDHN Cc1c(NC(=O)[C@@H](N)CC2CC2)cccc1[N+](=O)[O-] ZINC000311575479 816830990 /nfs/dbraw/zinc/83/09/90/816830990.db2.gz GNWXIRGBBDOKSD-JTQLQIEISA-N 0 3 263.297 1.969 20 5 CDBDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000857084176 817893012 /nfs/dbraw/zinc/89/30/12/817893012.db2.gz KEFIWWNQVSHARW-JOYOIKCWSA-N 0 3 292.339 1.448 20 5 CDBDHN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCN(C)C1 ZINC001233979609 1167391828 /nfs/dbraw/zinc/39/18/28/1167391828.db2.gz ABEJQTYCXLFHLV-LBPRGKRZSA-N 0 3 280.324 1.597 20 5 CDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(-n2nccc2CN)n1 ZINC001155125623 926571701 /nfs/dbraw/zinc/57/17/01/926571701.db2.gz TUPQRETWTJUCQZ-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN CN1CC(CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001159223085 929825580 /nfs/dbraw/zinc/82/55/80/929825580.db2.gz WQDZIDFJQDUMGV-UHFFFAOYSA-N 0 3 273.296 1.512 20 5 CDBDHN NCc1cn(-c2nc3ccccc3cc2[N+](=O)[O-])cn1 ZINC001154909715 937603671 /nfs/dbraw/zinc/60/36/71/937603671.db2.gz UFJCBBVIZJEZDW-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CN(C)C1(C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001165118012 939512539 /nfs/dbraw/zinc/51/25/39/939512539.db2.gz NUCSOWWMYLZQFP-UHFFFAOYSA-N 0 3 287.323 1.678 20 5 CDBDHN COC(=O)c1ccc(OC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001227294390 942164352 /nfs/dbraw/zinc/16/43/52/942164352.db2.gz CMDCBTCGTBYYDH-UHFFFAOYSA-N 0 3 294.307 1.854 20 5 CDBDHN CC[C@@](N)(CO)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539000 947516025 /nfs/dbraw/zinc/51/60/25/947516025.db2.gz AILKIIQGUTYNCT-GWCFXTLKSA-N 0 3 267.329 1.173 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1ccno1)C2 ZINC001254565629 947527027 /nfs/dbraw/zinc/52/70/27/947527027.db2.gz FANDDBQXQRRHOR-LLVKDONJSA-N 0 3 259.265 1.840 20 5 CDBDHN CC(C)CNC(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576515 947536174 /nfs/dbraw/zinc/53/61/74/947536174.db2.gz WQHHNDRYRLHPIV-ZDUSSCGKSA-N 0 3 291.351 1.424 20 5 CDBDHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001354829494 968922394 /nfs/dbraw/zinc/92/23/94/968922394.db2.gz KFTDVWGEBJCZMZ-TVQRCGJNSA-N 0 3 277.324 1.899 20 5 CDBDHN CC[C@H]1CN(C)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000601188278 342488024 /nfs/dbraw/zinc/48/80/24/342488024.db2.gz FVWYKQXJKWGAIV-NSHDSACASA-N 0 3 264.329 1.910 20 5 CDBDHN Cc1c(CNC(=O)CNC(C)C)cccc1[N+](=O)[O-] ZINC000231856442 341994808 /nfs/dbraw/zinc/99/48/08/341994808.db2.gz URKZTCIAHIYPSN-UHFFFAOYSA-N 0 3 265.313 1.517 20 5 CDBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000340550372 361820638 /nfs/dbraw/zinc/82/06/38/361820638.db2.gz JJZWQAVJXSYTEE-UHFFFAOYSA-N 0 3 296.371 1.593 20 5 CDBDHN CC(C)NCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000608895640 342084320 /nfs/dbraw/zinc/08/43/20/342084320.db2.gz NKMHJFSSZUMFHP-UHFFFAOYSA-N 0 3 280.328 1.121 20 5 CDBDHN CC1(C)CNCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000591677729 342641522 /nfs/dbraw/zinc/64/15/22/342641522.db2.gz BKQLXKYIPJHXKK-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCC[C@@H]2F)c1 ZINC000591767852 342645950 /nfs/dbraw/zinc/64/59/50/342645950.db2.gz UHYQDXATVVOHME-KWCYVHTRSA-N 0 3 298.314 1.815 20 5 CDBDHN C[C@H](CCO)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108804 342769330 /nfs/dbraw/zinc/76/93/30/342769330.db2.gz CMQOSDPQERMYDK-YPMHNXCESA-N 0 3 298.339 1.037 20 5 CDBDHN CN(C)CCn1cc(-c2cc([N+](=O)[O-])ccc2CO)cn1 ZINC000600781568 342249123 /nfs/dbraw/zinc/24/91/23/342249123.db2.gz FBURMXQLKXWGGE-UHFFFAOYSA-N 0 3 290.323 1.512 20 5 CDBDHN CC(C)(C)[C@@H](N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650196 342932132 /nfs/dbraw/zinc/93/21/32/342932132.db2.gz VDBYNEOWIGOZTN-NSHDSACASA-N 0 3 276.300 1.616 20 5 CDBDHN Cc1noc(CN(C)[C@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000595522168 343088442 /nfs/dbraw/zinc/08/84/42/343088442.db2.gz IYDHUWAZMXMONI-NSHDSACASA-N 0 3 282.344 1.806 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000078437127 342337220 /nfs/dbraw/zinc/33/72/20/342337220.db2.gz IHWYUNDLKJTLDE-ZDUSSCGKSA-N 0 3 291.351 1.753 20 5 CDBDHN CC[C@@H](NC)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000595929573 343184122 /nfs/dbraw/zinc/18/41/22/343184122.db2.gz KPUDATQPFAYQCE-LLVKDONJSA-N 0 3 295.295 1.318 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H]2C[C@H]2C1 ZINC000595810272 343160736 /nfs/dbraw/zinc/16/07/36/343160736.db2.gz LLBBJZMKKSPZSL-RWMBFGLXSA-N 0 3 292.335 1.676 20 5 CDBDHN O=c1[n-]ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596076860 343226740 /nfs/dbraw/zinc/22/67/40/343226740.db2.gz QTEVZTYUYQSUBV-MWLCHTKSSA-N 0 3 278.312 1.734 20 5 CDBDHN O=c1[n-]ccc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000596076860 343226742 /nfs/dbraw/zinc/22/67/42/343226742.db2.gz QTEVZTYUYQSUBV-MWLCHTKSSA-N 0 3 278.312 1.734 20 5 CDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596119866 343232931 /nfs/dbraw/zinc/23/29/31/343232931.db2.gz RBDUPBSJSXXTNY-UHFFFAOYSA-N 0 3 292.339 1.226 20 5 CDBDHN Cn1c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925764 343663367 /nfs/dbraw/zinc/66/33/67/343663367.db2.gz QYXFRMJEYRLDSJ-SNVBAGLBSA-N 0 3 294.355 1.536 20 5 CDBDHN CCN[C@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602442275 344418486 /nfs/dbraw/zinc/41/84/86/344418486.db2.gz KEBSHBPPWJOOBA-VHSXEESVSA-N 0 3 265.313 1.770 20 5 CDBDHN CN1CCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602533302 344469933 /nfs/dbraw/zinc/46/99/33/344469933.db2.gz WHBASINKZQTZJU-LLVKDONJSA-N 0 3 290.323 1.920 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]([C@H](C)O)C1 ZINC000602798625 344589217 /nfs/dbraw/zinc/58/92/17/344589217.db2.gz QXSWDFSSAZWXAP-JQWIXIFHSA-N 0 3 282.344 1.193 20 5 CDBDHN Cn1ncc(CCCNCc2ccccc2[N+](=O)[O-])n1 ZINC000292946796 362520772 /nfs/dbraw/zinc/52/07/72/362520772.db2.gz KFMVERWKFLOZNO-UHFFFAOYSA-N 0 3 275.312 1.446 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC3(O)CCC3)C2)nc1 ZINC000610710253 346365115 /nfs/dbraw/zinc/36/51/15/346365115.db2.gz DSKQDFHXQURMLJ-NSHDSACASA-N 0 3 292.339 1.391 20 5 CDBDHN CC1(C)[C@H](O)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000129350419 362896698 /nfs/dbraw/zinc/89/66/98/362896698.db2.gz AUYJCRCQTFMZPI-VXGBXAGGSA-N 0 3 250.298 1.844 20 5 CDBDHN Cc1c(CN[C@H](CO)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411998523 363402806 /nfs/dbraw/zinc/40/28/06/363402806.db2.gz WGPWZOQRPKFKPK-UONOGXRCSA-N 0 3 294.351 1.780 20 5 CDBDHN CC[C@H](CNc1ncc([N+](=O)[O-])cn1)N1CCCC1 ZINC000273564633 192207396 /nfs/dbraw/zinc/20/73/96/192207396.db2.gz CFKFWXVPSAKREA-SNVBAGLBSA-N 0 3 265.317 1.671 20 5 CDBDHN CC(C)[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236747632 140243130 /nfs/dbraw/zinc/24/31/30/140243130.db2.gz AIFIMILRWAQNBO-LBPRGKRZSA-N 0 3 280.328 1.106 20 5 CDBDHN Cc1cc(C(=O)N(C)CCN(C)C)c(N)c([N+](=O)[O-])c1 ZINC000081865262 358140823 /nfs/dbraw/zinc/14/08/23/358140823.db2.gz XMIZSFVQBXROQB-UHFFFAOYSA-N 0 3 280.328 1.119 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@]1(O)CCOC1)CCC2 ZINC000193050323 358260657 /nfs/dbraw/zinc/26/06/57/358260657.db2.gz QODHPLZDAQBZNC-HUUCEWRRSA-N 0 3 292.335 1.713 20 5 CDBDHN CNCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000193134706 358268455 /nfs/dbraw/zinc/26/84/55/358268455.db2.gz XQMJOCWKMBFYNB-UHFFFAOYSA-N 0 3 263.297 1.305 20 5 CDBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000339631221 359419968 /nfs/dbraw/zinc/41/99/68/359419968.db2.gz RONHFJNYCBTNMQ-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)COCC1CC1 ZINC000050015747 359561352 /nfs/dbraw/zinc/56/13/52/359561352.db2.gz VQYHACNWVGGGHN-CYBMUJFWSA-N 0 3 280.324 1.472 20 5 CDBDHN COCC[C@@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000172069593 237306659 /nfs/dbraw/zinc/30/66/59/237306659.db2.gz CZBBWCOQFUEUFH-CYBMUJFWSA-N 0 3 268.313 1.472 20 5 CDBDHN Cc1ccc(CNCCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000061014437 359771357 /nfs/dbraw/zinc/77/13/57/359771357.db2.gz ROJBROZBNWUBHF-UHFFFAOYSA-N 0 3 277.324 1.519 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CC2)CC1 ZINC000367129070 360945236 /nfs/dbraw/zinc/94/52/36/360945236.db2.gz LLMYZDVYNQDROO-UHFFFAOYSA-N 0 3 277.324 1.633 20 5 CDBDHN CN(C)CCn1nccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000294016061 239286144 /nfs/dbraw/zinc/28/61/44/239286144.db2.gz IZXGXZMRILFAHV-UHFFFAOYSA-N 0 3 293.283 1.198 20 5 CDBDHN Cc1c(CN[C@H]2CCCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000231884881 364997611 /nfs/dbraw/zinc/99/76/11/364997611.db2.gz PQRNEGIMCYNTGC-LBPRGKRZSA-N 0 3 277.324 1.662 20 5 CDBDHN CS[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270932026 366946641 /nfs/dbraw/zinc/94/66/41/366946641.db2.gz CSUVPCGSCKXIMC-NWDGAFQWSA-N 0 3 296.396 1.780 20 5 CDBDHN CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270957389 366948434 /nfs/dbraw/zinc/94/84/34/366948434.db2.gz UNRJPBJVANXONS-GWCFXTLKSA-N 0 3 250.298 1.798 20 5 CDBDHN CC(C)C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N(C)C ZINC000122304016 366973190 /nfs/dbraw/zinc/97/31/90/366973190.db2.gz RYEVCCQCWHQLBV-SNVBAGLBSA-N 0 3 297.359 1.034 20 5 CDBDHN C[C@@H](NCCN1CCOC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000330382915 367678323 /nfs/dbraw/zinc/67/83/23/367678323.db2.gz JGOPGUFOTYLGOU-QWHCGFSZSA-N 0 3 293.367 1.966 20 5 CDBDHN COC[C@@H](CNC/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000272638281 367785890 /nfs/dbraw/zinc/78/58/90/367785890.db2.gz CBFJHXSNKLHEAL-VUDGCMKMSA-N 0 3 280.324 1.859 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330889054 203355176 /nfs/dbraw/zinc/35/51/76/203355176.db2.gz BBHKBXVYUTUDFE-WCQYABFASA-N 0 3 291.351 1.736 20 5 CDBDHN COCCCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269650595 373293511 /nfs/dbraw/zinc/29/35/11/373293511.db2.gz MKFSQVKPTSYEDX-CYBMUJFWSA-N 0 3 268.313 1.597 20 5 CDBDHN C[C@@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000330541851 373698311 /nfs/dbraw/zinc/69/83/11/373698311.db2.gz AEJUOXBKUYHJIY-LLVKDONJSA-N 0 3 294.355 1.395 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000330554960 373708736 /nfs/dbraw/zinc/70/87/36/373708736.db2.gz ZBDIWGCTTXXIEG-UHFFFAOYSA-N 0 3 280.328 1.101 20 5 CDBDHN O=C(C[C@@H]1CSCCN1)Nc1cccc([N+](=O)[O-])c1 ZINC000091134261 373747628 /nfs/dbraw/zinc/74/76/28/373747628.db2.gz UBFLYAQTMAIGQN-SNVBAGLBSA-N 0 3 281.337 1.628 20 5 CDBDHN CN(C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298579822 373754882 /nfs/dbraw/zinc/75/48/82/373754882.db2.gz CXBOICLIPQGJBY-UHFFFAOYSA-N 0 3 277.280 1.632 20 5 CDBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000277474033 374183955 /nfs/dbraw/zinc/18/39/55/374183955.db2.gz IDVIAKCIEJTLQK-JTQLQIEISA-N 0 3 293.327 1.065 20 5 CDBDHN CCC[C@@H]1CNCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000420242240 374294166 /nfs/dbraw/zinc/29/41/66/374294166.db2.gz WLRZCJIXQMIJJN-SNVBAGLBSA-N 0 3 265.317 1.272 20 5 CDBDHN CS[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331333376 374931028 /nfs/dbraw/zinc/93/10/28/374931028.db2.gz PKTWMXZQLYFNAW-JTQLQIEISA-N 0 3 256.331 1.229 20 5 CDBDHN Cc1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280319286 374990932 /nfs/dbraw/zinc/99/09/32/374990932.db2.gz PDJMZVHEDZHHQR-KGLIPLIRSA-N 0 3 294.351 1.638 20 5 CDBDHN CN(C)C[C@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658211 375041319 /nfs/dbraw/zinc/04/13/19/375041319.db2.gz ANYMILRONJOGMK-HIFRSBDPSA-N 0 3 293.367 1.484 20 5 CDBDHN CS[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000282222476 375073295 /nfs/dbraw/zinc/07/32/95/375073295.db2.gz ODVJLHJWWWGNGX-QWHCGFSZSA-N 0 3 296.396 1.659 20 5 CDBDHN CCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344932048 375665115 /nfs/dbraw/zinc/66/51/15/375665115.db2.gz ADJSZRNLPWUFFF-UHFFFAOYSA-N 0 3 294.355 1.639 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358040094 375948243 /nfs/dbraw/zinc/94/82/43/375948243.db2.gz BNECENHJVSOYRZ-WHOFXGATSA-N 0 3 294.351 1.951 20 5 CDBDHN COC[C@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296671028 376702669 /nfs/dbraw/zinc/70/26/69/376702669.db2.gz KTEBWUSSBCAHAO-GFCCVEGCSA-N 0 3 268.317 1.150 20 5 CDBDHN O=C(CNc1ccccc1[N+](=O)[O-])NCCN1CCCC1 ZINC000172126218 377284802 /nfs/dbraw/zinc/28/48/02/377284802.db2.gz XSBCHBCLOJJNHW-UHFFFAOYSA-N 0 3 292.339 1.219 20 5 CDBDHN COC[C@@H](C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471491 378455795 /nfs/dbraw/zinc/45/57/95/378455795.db2.gz FMGHKPPUDMGZHS-MNOVXSKESA-N 0 3 280.328 1.511 20 5 CDBDHN COc1ccc(OCCN2CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000173665702 378843166 /nfs/dbraw/zinc/84/31/66/378843166.db2.gz YOZVUXOEZUKSHK-NSHDSACASA-N 0 3 296.323 1.439 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(C)CC1 ZINC000278992913 194243865 /nfs/dbraw/zinc/24/38/65/194243865.db2.gz FIIOVGBHYQTRPQ-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CN1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279248223 194351105 /nfs/dbraw/zinc/35/11/05/194351105.db2.gz RKXNILHLWDTOAV-UHFFFAOYSA-N 0 3 296.302 1.140 20 5 CDBDHN CO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000281632150 195314948 /nfs/dbraw/zinc/31/49/48/195314948.db2.gz IJMISLUKHYVSLH-WDEREUQCSA-N 0 3 268.317 1.291 20 5 CDBDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449276876 391054665 /nfs/dbraw/zinc/05/46/65/391054665.db2.gz DDIUQEBWRLBFMK-NWDGAFQWSA-N 0 3 293.367 1.982 20 5 CDBDHN C[C@@H]1NCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262786761 131261834 /nfs/dbraw/zinc/26/18/34/131261834.db2.gz MMJOEVBFHPMKSC-QWRGUYRKSA-N 0 3 277.324 1.346 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262816221 131264423 /nfs/dbraw/zinc/26/44/23/131264423.db2.gz RXKUDBGHQMBLKS-ZJUUUORDSA-N 0 3 263.297 1.417 20 5 CDBDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263957031 131369082 /nfs/dbraw/zinc/36/90/82/131369082.db2.gz MMEHOIUJDRFNHO-ZJUUUORDSA-N 0 3 294.359 1.499 20 5 CDBDHN CC(C)OCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488719554 392721565 /nfs/dbraw/zinc/72/15/65/392721565.db2.gz WZTJEKSIPMAQTQ-UHFFFAOYSA-N 0 3 282.344 1.853 20 5 CDBDHN COCCN(C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194555555 392790479 /nfs/dbraw/zinc/79/04/79/392790479.db2.gz JCOHEBRDDIUOKJ-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000421699672 392942370 /nfs/dbraw/zinc/94/23/70/392942370.db2.gz BTYAEYMGOPOSDV-AWEZNQCLSA-N 0 3 291.351 1.690 20 5 CDBDHN C[C@H](CC[S@@](C)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000228346730 140193845 /nfs/dbraw/zinc/19/38/45/140193845.db2.gz PJNNDKVNPWILDV-MLCYQJTMSA-N 0 3 270.354 1.842 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000368215227 286381560 /nfs/dbraw/zinc/38/15/60/286381560.db2.gz OHQQURVTJZWAND-IUCAKERBSA-N 0 3 297.286 1.033 20 5 CDBDHN C[C@@H](NCC(C)(C)C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284859058 196145547 /nfs/dbraw/zinc/14/55/47/196145547.db2.gz AMAZWACTMKCEJB-MRVPVSSYSA-N 0 3 280.328 1.339 20 5 CDBDHN C[C@@H](NCCNC(=O)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285089306 196194793 /nfs/dbraw/zinc/19/47/93/196194793.db2.gz JXSBITDWLGENCC-SECBINFHSA-N 0 3 292.339 1.354 20 5 CDBDHN Cc1ccc(CNC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000038087578 174099458 /nfs/dbraw/zinc/09/94/58/174099458.db2.gz WGGJPUKUMMFLLA-NSHDSACASA-N 0 3 251.330 1.943 20 5 CDBDHN COC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071269821 176103368 /nfs/dbraw/zinc/10/33/68/176103368.db2.gz NMNYCGMQLLONCY-BXKDBHETSA-N 0 3 254.286 1.253 20 5 CDBDHN C[C@@H](C1CC1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078723317 177375928 /nfs/dbraw/zinc/37/59/28/177375928.db2.gz ZUFBBMXSONLZDT-VIFPVBQESA-N 0 3 277.324 1.924 20 5 CDBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000521848621 260219423 /nfs/dbraw/zinc/21/94/23/260219423.db2.gz OYFZIOMVHQEPCR-JTQLQIEISA-N 0 3 295.314 1.948 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000525804666 262366800 /nfs/dbraw/zinc/36/68/00/262366800.db2.gz IJVLKWYTKFSVDW-LLVKDONJSA-N 0 3 277.324 1.666 20 5 CDBDHN CCCCN(CCO)CCn1c(C)ncc1[N+](=O)[O-] ZINC000049800338 424447260 /nfs/dbraw/zinc/44/72/60/424447260.db2.gz RFDUVAGQJYZGGY-UHFFFAOYSA-N 0 3 270.333 1.194 20 5 CDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286492585 274639037 /nfs/dbraw/zinc/63/90/37/274639037.db2.gz RLSDFNLWVCXKQF-UWVGGRQHSA-N 0 3 292.343 1.030 20 5 CDBDHN C[C@@H](NC[C@H]1COCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038060765 278355923 /nfs/dbraw/zinc/35/59/23/278355923.db2.gz MMMTUPBFIZYHSZ-MFKMUULPSA-N 0 3 266.297 1.661 20 5 CDBDHN C[C@@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000262849320 279037346 /nfs/dbraw/zinc/03/73/46/279037346.db2.gz ZECQFTMSRZWJDW-IUCAKERBSA-N 0 3 281.287 1.556 20 5 CDBDHN Cc1nc(N[C@@H](C)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000296554331 280588199 /nfs/dbraw/zinc/58/81/99/280588199.db2.gz PAEQWWRGFVVHLF-JTQLQIEISA-N 0 3 279.344 1.980 20 5 CDBDHN CN(C)CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255885103 289388921 /nfs/dbraw/zinc/38/89/21/289388921.db2.gz NUQFPNDVKMVDHL-FPLPWBNLSA-N 0 3 263.297 1.286 20 5 CDBDHN C[C@@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189322853 297541734 /nfs/dbraw/zinc/54/17/34/297541734.db2.gz JNQBFZBQDOEJHU-UWVGGRQHSA-N 0 3 299.352 1.014 20 5 CDBDHN [NH3+]C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000382454715 323641552 /nfs/dbraw/zinc/64/15/52/323641552.db2.gz PMUHXWGGLOMVJL-UWVGGRQHSA-N 0 3 299.352 1.001 20 5 CDBDHN CCN(CCOc1ccccc1[N+](=O)[O-])CCC(=O)OC ZINC000064569668 521151762 /nfs/dbraw/zinc/15/17/62/521151762.db2.gz BKHPKGPTTFJOKT-UHFFFAOYSA-N 0 3 296.323 1.859 20 5 CDBDHN CNC(=O)c1ccc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000067711207 521847544 /nfs/dbraw/zinc/84/75/44/521847544.db2.gz HHTPRIMZNNGVIK-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N(C)C1CC1 ZINC000340727083 524713731 /nfs/dbraw/zinc/71/37/31/524713731.db2.gz OJOSXIZZHGESRM-QMMMGPOBSA-N 0 3 266.301 1.135 20 5 CDBDHN C[C@@H]1C[C@@H](C)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157328757 525209878 /nfs/dbraw/zinc/20/98/78/525209878.db2.gz OHRGVFDGQAWENL-GHMZBOCLSA-N 0 3 252.318 1.769 20 5 CDBDHN C[C@H](NC[C@@H]1CC[C@@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000340416440 525395869 /nfs/dbraw/zinc/39/58/69/525395869.db2.gz NAOAHADTSKUEOK-BPNCWPANSA-N 0 3 280.324 1.785 20 5 CDBDHN C[C@H](NC[C@H]1CC[C@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340411043 525420804 /nfs/dbraw/zinc/42/08/04/525420804.db2.gz CBASWHAWTSCVOH-ZLKJLUDKSA-N 0 3 280.324 1.785 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(C2CC2)C1 ZINC000052812810 525577964 /nfs/dbraw/zinc/57/79/64/525577964.db2.gz AKWUXRGVMYAMQD-JTQLQIEISA-N 0 3 262.313 1.947 20 5 CDBDHN CC[C@H](N[C@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323370682 535948772 /nfs/dbraw/zinc/94/87/72/535948772.db2.gz DYQHDAGOIQMETC-RWMBFGLXSA-N 0 3 266.297 1.395 20 5 CDBDHN O=[N+]([O-])c1ccnn1CN1CC[C@@H](N2CCCCC2)C1 ZINC000730804577 575011210 /nfs/dbraw/zinc/01/12/10/575011210.db2.gz JELDHSFRZIEVQE-GFCCVEGCSA-N 0 3 279.344 1.309 20 5 CDBDHN COc1ccccc1OCCCNCC[N+](=O)[O-] ZINC000905097172 626637664 /nfs/dbraw/zinc/63/76/64/626637664.db2.gz YXLYFUYETQTCGQ-UHFFFAOYSA-N 0 3 254.286 1.330 20 5 CDBDHN C[C@@H](O)C[C@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000905158887 626641401 /nfs/dbraw/zinc/64/14/01/626641401.db2.gz LIVRKHFHZCACPU-DGCLKSJQSA-N 0 3 252.314 1.407 20 5 CDBDHN C[C@@H]1CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971448 627061212 /nfs/dbraw/zinc/06/12/12/627061212.db2.gz BKIQQPBIZSJTCQ-ZYHUDNBSSA-N 0 3 266.297 1.429 20 5 CDBDHN C[C@H](Nc1ccc2c([N+](=O)[O-])c[nH]c2n1)[C@H]1CNCCO1 ZINC001170565314 1162930254 /nfs/dbraw/zinc/93/02/54/1162930254.db2.gz UVZQJDBXVBRIBE-GZMMTYOYSA-N 0 3 291.311 1.260 20 5 CDBDHN COc1cc(C)c([N+](=O)[O-])cc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170567120 1162940907 /nfs/dbraw/zinc/94/09/07/1162940907.db2.gz JEOKLEZIMCSCAP-HZMBPMFUSA-N 0 3 295.339 1.701 20 5 CDBDHN C[C@H](Nc1cc([N+](=O)[O-])c2nccn2c1)[C@H]1CNCCO1 ZINC001170568387 1162947268 /nfs/dbraw/zinc/94/72/68/1162947268.db2.gz OCTGVDQCUURKPM-JOYOIKCWSA-N 0 3 291.311 1.031 20 5 CDBDHN CC(COC(=O)c1cn(C)c(=O)c2ccccc12)[N+](=O)[O-] ZINC000813111467 1163816386 /nfs/dbraw/zinc/81/63/86/1163816386.db2.gz HZCWNUKHIDWPCE-VIFPVBQESA-N 0 3 290.275 1.361 20 5 CDBDHN O=C(CNC1CC1)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001580555762 1172467835 /nfs/dbraw/zinc/46/78/35/1172467835.db2.gz FBFZAGGNQRFEJK-UHFFFAOYSA-N 0 3 286.291 1.834 20 5 CDBDHN O=[N+]([O-])c1ccc(-n2cc(CNCC3CC3)nn2)cc1 ZINC000161974778 1179101681 /nfs/dbraw/zinc/10/16/81/1179101681.db2.gz WQHCDDVQPWBSIN-UHFFFAOYSA-N 0 3 273.296 1.675 20 5 CDBDHN CC(COC(=O)c1cnc2n1CCCC2)[N+](=O)[O-] ZINC000835453656 818017520 /nfs/dbraw/zinc/01/75/20/818017520.db2.gz FNEHMUCEOVUMJZ-QMMMGPOBSA-N 0 3 253.258 1.041 20 5 CDBDHN NC(=O)[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000825279964 818094512 /nfs/dbraw/zinc/09/45/12/818094512.db2.gz VPPDRCRVQVEVFR-SCZZXKLOSA-N 0 3 297.742 1.992 20 5 CDBDHN C[C@H](N)c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000124279543 818336475 /nfs/dbraw/zinc/33/64/75/818336475.db2.gz NXKSPQHQIGKKEM-ZETCQYMHSA-N 0 3 265.248 1.393 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2COCCN2)cc1Cl ZINC000863649381 818666202 /nfs/dbraw/zinc/66/62/02/818666202.db2.gz CPHHMIBTOLCVJO-JTQLQIEISA-N 0 3 285.731 1.326 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)CCCC(=O)N2)[N+](=O)[O-] ZINC000813114623 818945650 /nfs/dbraw/zinc/94/56/50/818945650.db2.gz UQFYKEHIHNROGU-SECBINFHSA-N 0 3 292.291 1.783 20 5 CDBDHN Cc1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1[N+](=O)[O-] ZINC000884468488 819023872 /nfs/dbraw/zinc/02/38/72/819023872.db2.gz DRYBTLKJQXQHRK-LBPRGKRZSA-N 0 3 277.324 1.647 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](CCO)C1CC1 ZINC000851933906 819373731 /nfs/dbraw/zinc/37/37/31/819373731.db2.gz WHNZDSNOBKPSLR-LBPRGKRZSA-N 0 3 268.288 1.985 20 5 CDBDHN CSCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000932591284 819690430 /nfs/dbraw/zinc/69/04/30/819690430.db2.gz MMNLZKUXFSIFBP-UHFFFAOYSA-N 0 3 284.385 1.866 20 5 CDBDHN CC(COC(=O)c1cc(-c2ccccc2)nn1C)[N+](=O)[O-] ZINC000835453305 819890162 /nfs/dbraw/zinc/89/01/62/819890162.db2.gz ACEWHPVXSJJXCY-JTQLQIEISA-N 0 3 289.291 1.909 20 5 CDBDHN Cc1ccc(CNCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000922940111 819908739 /nfs/dbraw/zinc/90/87/39/819908739.db2.gz BWXRGRBCAZZIGX-CYBMUJFWSA-N 0 3 280.324 1.798 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CCN(CC2CC2)CC1 ZINC000885961183 821315576 /nfs/dbraw/zinc/31/55/76/821315576.db2.gz UTEZADDQVPPHCJ-UHFFFAOYSA-N 0 3 276.340 1.517 20 5 CDBDHN C[C@H](N)c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000124342649 821752339 /nfs/dbraw/zinc/75/23/39/821752339.db2.gz FABYDFNDAXLIII-ZETCQYMHSA-N 0 3 281.703 1.908 20 5 CDBDHN CC(C)[C@H](NCC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000930437864 822363968 /nfs/dbraw/zinc/36/39/68/822363968.db2.gz RVBQWIYISSREAI-STQMWFEESA-N 0 3 252.314 1.611 20 5 CDBDHN CC(C)(CCC(=O)N[C@H]1CN2CCC1CC2)[N+](=O)[O-] ZINC001347289764 895399979 /nfs/dbraw/zinc/39/99/79/895399979.db2.gz BSLGRGQDPJDAJY-NSHDSACASA-N 0 3 269.345 1.032 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1=CCCC1 ZINC001125624883 897016747 /nfs/dbraw/zinc/01/67/47/897016747.db2.gz IXCYNHDGXAZPSF-UHFFFAOYSA-N 0 3 289.335 1.911 20 5 CDBDHN Cn1nccc1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001161873775 921712717 /nfs/dbraw/zinc/71/27/17/921712717.db2.gz FYPUZDGQHPMBNQ-UHFFFAOYSA-N 0 3 273.296 1.544 20 5 CDBDHN Cc1c(F)cnc(NC(=N)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001168735466 921838725 /nfs/dbraw/zinc/83/87/25/921838725.db2.gz QCPCUDWWLFCULC-UHFFFAOYSA-N 0 3 296.306 1.031 20 5 CDBDHN O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168977335 927563961 /nfs/dbraw/zinc/56/39/61/927563961.db2.gz ANFJFCVQFORULQ-JQWIXIFHSA-N 0 3 263.297 1.299 20 5 CDBDHN Cc1nc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(C)o1 ZINC001168959041 927580511 /nfs/dbraw/zinc/58/05/11/927580511.db2.gz SQTDZOCBDJKVHU-WDEREUQCSA-N 0 3 253.302 1.826 20 5 CDBDHN CCOC(=O)c1c(CN)ncn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168962331 927581827 /nfs/dbraw/zinc/58/18/27/927581827.db2.gz LKLBLVKTXWEBEK-VHSXEESVSA-N 0 3 296.327 1.136 20 5 CDBDHN CC(C)[C@@H]1CN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036993 927648121 /nfs/dbraw/zinc/64/81/21/927648121.db2.gz HUOAMXGRFNODOW-UPJWGTAASA-N 0 3 256.346 1.789 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853625599 928061419 /nfs/dbraw/zinc/06/14/19/928061419.db2.gz UIBBSAQMRSIOLD-QMMMGPOBSA-N 0 3 296.352 1.539 20 5 CDBDHN Cc1ccc(CNC(=O)[C@H](N)CC2CC2)cc1[N+](=O)[O-] ZINC000884468487 930575198 /nfs/dbraw/zinc/57/51/98/930575198.db2.gz DRYBTLKJQXQHRK-GFCCVEGCSA-N 0 3 277.324 1.647 20 5 CDBDHN O=[N+]([O-])CCNC[C@@]1(O)CCCc2ccccc21 ZINC001120489985 937803152 /nfs/dbraw/zinc/80/31/52/937803152.db2.gz ZTXAYGNQWXUJPH-ZDUSSCGKSA-N 0 3 250.298 1.077 20 5 CDBDHN Cc1nc(N2C[C@@H]3CCCN(C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157283240 938474811 /nfs/dbraw/zinc/47/48/11/938474811.db2.gz TVSDMFGHMOOIET-CMPLNLGQSA-N 0 3 277.328 1.224 20 5 CDBDHN CCOc1nc(Nc2ccc(CN)nc2)ccc1[N+](=O)[O-] ZINC001160402346 938784291 /nfs/dbraw/zinc/78/42/91/938784291.db2.gz PVNQNZFLVIJBJE-UHFFFAOYSA-N 0 3 289.295 1.986 20 5 CDBDHN Cn1ccnc1CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001161915434 938942679 /nfs/dbraw/zinc/94/26/79/938942679.db2.gz YNHMHCWXWRAASY-UHFFFAOYSA-N 0 3 273.296 1.544 20 5 CDBDHN CC(C)N1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226732891 942060444 /nfs/dbraw/zinc/06/04/44/942060444.db2.gz AZBGLKIUFYHBBK-LLVKDONJSA-N 0 3 266.301 1.636 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC1(F)COC1 ZINC001254538346 947515806 /nfs/dbraw/zinc/51/58/06/947515806.db2.gz SLGODAPAIPOJAZ-SNVBAGLBSA-N 0 3 268.288 1.854 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])n1nncc1CN ZINC001254539699 947517330 /nfs/dbraw/zinc/51/73/30/947517330.db2.gz JTENJSWACMJQBV-SECBINFHSA-N 0 3 261.285 1.449 20 5 CDBDHN COCCN(CCOC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598496 947547147 /nfs/dbraw/zinc/54/71/47/947547147.db2.gz KCXKGECJUFKDPO-OAHLLOKOSA-N 0 3 294.351 1.657 20 5 CDBDHN N[C@]1(C(F)(F)F)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001246565439 948283174 /nfs/dbraw/zinc/28/31/74/948283174.db2.gz CANLKEXNCRGTHQ-IVZWLZJFSA-N 0 3 281.278 1.397 20 5 CDBDHN Nc1nc(SCCN2CCCC2)ncc1[N+](=O)[O-] ZINC001334276316 958992878 /nfs/dbraw/zinc/99/28/78/958992878.db2.gz GSCJNHDXYKQAHZ-UHFFFAOYSA-N 0 3 269.330 1.155 20 5 CDBDHN C[C@@H](NC(=O)[C@@H](N)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001340990386 963223402 /nfs/dbraw/zinc/22/34/02/963223402.db2.gz KFTDVWGEBJCZMZ-RNCFNFMXSA-N 0 3 277.324 1.899 20 5 CDBDHN COc1ccc(NC(=O)N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC001345061469 964557511 /nfs/dbraw/zinc/55/75/11/964557511.db2.gz FDQPJIMQRAJVFJ-UHFFFAOYSA-N 0 3 296.327 1.629 20 5 CDBDHN CN(CCNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601015875 342458190 /nfs/dbraw/zinc/45/81/90/342458190.db2.gz PDFCSBZPIIUIRQ-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN Cc1cnc(N2CC[C@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000589879178 342516106 /nfs/dbraw/zinc/51/61/06/342516106.db2.gz DMEVRYDVVKWKKX-AWEZNQCLSA-N 0 3 276.340 1.830 20 5 CDBDHN COc1cc(NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599198967 343979268 /nfs/dbraw/zinc/97/92/68/343979268.db2.gz CXXYEKBTGYBSTF-NSHDSACASA-N 0 3 281.312 1.082 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1COCC[C@H]1O ZINC000601306623 342551224 /nfs/dbraw/zinc/55/12/24/342551224.db2.gz NICJSRQRMJNBCR-YRGRVCCFSA-N 0 3 278.308 1.322 20 5 CDBDHN COCCN(C)CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000041950839 342004923 /nfs/dbraw/zinc/00/49/23/342004923.db2.gz MOAPWJYQLYEUAR-UHFFFAOYSA-N 0 3 295.339 1.293 20 5 CDBDHN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCCNCC1 ZINC000111238138 365538591 /nfs/dbraw/zinc/53/85/91/365538591.db2.gz SBWPVFNPHKKLTK-UHFFFAOYSA-N 0 3 283.715 1.684 20 5 CDBDHN CCN1C[C@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000593684851 342822260 /nfs/dbraw/zinc/82/22/60/342822260.db2.gz BOGIGBQXXRDPGM-JTQLQIEISA-N 0 3 295.314 1.692 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594601291 342923672 /nfs/dbraw/zinc/92/36/72/342923672.db2.gz NICQIZYANLEYHZ-QWRGUYRKSA-N 0 3 279.344 1.757 20 5 CDBDHN Cn1ncc(C2CC2)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000594931814 342975237 /nfs/dbraw/zinc/97/52/37/342975237.db2.gz RPUMXBQKYOOWOD-UHFFFAOYSA-N 0 3 290.327 1.192 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595456125 343068093 /nfs/dbraw/zinc/06/80/93/343068093.db2.gz WDKMJYHMXNIHKU-VXGBXAGGSA-N 0 3 295.314 1.738 20 5 CDBDHN O=[N+]([O-])c1ccc(CN(CCOCCO)C2CCC2)cc1 ZINC000595599027 343115299 /nfs/dbraw/zinc/11/52/99/343115299.db2.gz JVKGJQVMUYEBAC-UHFFFAOYSA-N 0 3 294.351 1.958 20 5 CDBDHN C[N@H+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCC1 ZINC000596112561 343230411 /nfs/dbraw/zinc/23/04/11/343230411.db2.gz AKFLZUMHOPEUQM-UHFFFAOYSA-N 0 3 280.328 1.982 20 5 CDBDHN C[N@@H+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCC1 ZINC000596112561 343230412 /nfs/dbraw/zinc/23/04/12/343230412.db2.gz AKFLZUMHOPEUQM-UHFFFAOYSA-N 0 3 280.328 1.982 20 5 CDBDHN C[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596063132 343223771 /nfs/dbraw/zinc/22/37/71/343223771.db2.gz YGGZHAMWKXSQJV-UHFFFAOYSA-N 0 3 252.274 1.202 20 5 CDBDHN CN1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000214152071 342439153 /nfs/dbraw/zinc/43/91/53/342439153.db2.gz DSXOAUWLUWNYKL-DAXSKMNVSA-N 0 3 289.335 1.818 20 5 CDBDHN CCCN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342078 343771002 /nfs/dbraw/zinc/77/10/02/343771002.db2.gz DHFGAQUSGBGRMM-ZDUSSCGKSA-N 0 3 291.351 1.738 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCCC(F)(F)CC2)c1 ZINC000599552173 344080477 /nfs/dbraw/zinc/08/04/77/344080477.db2.gz WJFSTNRDXHRRBL-UHFFFAOYSA-N 0 3 274.271 1.913 20 5 CDBDHN C[C@@H](CC[S@@](C)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000228346723 140193864 /nfs/dbraw/zinc/19/38/64/140193864.db2.gz PJNNDKVNPWILDV-XTZNXHDOSA-N 0 3 270.354 1.842 20 5 CDBDHN CO[C@@]1(CN(C)CCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000602649491 344515652 /nfs/dbraw/zinc/51/56/52/344515652.db2.gz JRXOVMNVBYATIB-OAHLLOKOSA-N 0 3 294.351 1.875 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)N(C)C[C@H]1C ZINC000602801108 344590500 /nfs/dbraw/zinc/59/05/00/344590500.db2.gz ZUUADOHEEMDOPQ-GHMZBOCLSA-N 0 3 281.360 1.124 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOCC1CC1 ZINC000602789337 344601137 /nfs/dbraw/zinc/60/11/37/344601137.db2.gz UVOGKOWDNDUFDG-UHFFFAOYSA-N 0 3 282.344 1.458 20 5 CDBDHN CCOC[C@@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602840638 344621785 /nfs/dbraw/zinc/62/17/85/344621785.db2.gz OIEQGUQYQCMXJZ-ZDUSSCGKSA-N 0 3 296.371 1.991 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](O)CC1 ZINC000293072367 362522177 /nfs/dbraw/zinc/52/21/77/362522177.db2.gz JBQQCILTUQOPEU-LBPRGKRZSA-N 0 3 280.324 1.820 20 5 CDBDHN O=C(CNCCc1ccc([N+](=O)[O-])cc1)NC1CCCC1 ZINC000040676160 345035897 /nfs/dbraw/zinc/03/58/97/345035897.db2.gz FZGUFSSCQBVXAR-UHFFFAOYSA-N 0 3 291.351 1.786 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN(CCCO)C2CC2)cc1 ZINC000610132937 346208190 /nfs/dbraw/zinc/20/81/90/346208190.db2.gz IGUKDZDVNLAQCJ-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611221652 346695811 /nfs/dbraw/zinc/69/58/11/346695811.db2.gz DSLKLALCLWDTBI-WDEREUQCSA-N 0 3 264.329 1.909 20 5 CDBDHN Cc1cnc(N2C[C@@H](C)N[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000090691885 347817682 /nfs/dbraw/zinc/81/76/82/347817682.db2.gz DUORZHRVGUTJDS-AOOOYVTPSA-N 0 3 250.302 1.485 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000086467994 179298983 /nfs/dbraw/zinc/29/89/83/179298983.db2.gz MNPMVEVKIVWJGL-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN CC[C@@H](CSC)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000091099381 180098055 /nfs/dbraw/zinc/09/80/55/180098055.db2.gz DJCWSOJKLXZJBW-JTQLQIEISA-N 0 3 272.374 1.865 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCSCCCO)c1 ZINC000105643803 186067380 /nfs/dbraw/zinc/06/73/80/186067380.db2.gz GMOJCHZCZUPLJL-UHFFFAOYSA-N 0 3 270.354 1.800 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000106364172 186110270 /nfs/dbraw/zinc/11/02/70/186110270.db2.gz MPZVWRVFZZHTCD-NSHDSACASA-N 0 3 295.314 1.900 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856231 140219532 /nfs/dbraw/zinc/21/95/32/140219532.db2.gz QUSANRQXFDVLLQ-RNCFNFMXSA-N 0 3 279.340 1.893 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000112839620 366160007 /nfs/dbraw/zinc/16/00/07/366160007.db2.gz ASELPBHSONJWDK-HUUCEWRRSA-N 0 3 291.351 1.548 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CN2CCC[C@@H]2CO1 ZINC000112839640 366160369 /nfs/dbraw/zinc/16/03/69/366160369.db2.gz IEHVBBOTWJJUCH-KGLIPLIRSA-N 0 3 291.351 1.548 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000411981067 363392504 /nfs/dbraw/zinc/39/25/04/363392504.db2.gz IJAYEVSXNFKMCA-CHWSQXEVSA-N 0 3 280.324 1.472 20 5 CDBDHN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC000286340304 356259213 /nfs/dbraw/zinc/25/92/13/356259213.db2.gz YULMHNHCZPHCGO-JTQLQIEISA-N 0 3 288.307 1.571 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCc2cnccn2)c1 ZINC000341260900 357216226 /nfs/dbraw/zinc/21/62/26/357216226.db2.gz DCRLSIFJOYSNNH-UHFFFAOYSA-N 0 3 258.281 1.717 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCN(C)C1CC1 ZINC000186732522 357679320 /nfs/dbraw/zinc/67/93/20/357679320.db2.gz MUMCFRRRDCLGEY-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN CCc1nn(C)c(NCCN(C)CCCOC)c1[N+](=O)[O-] ZINC000360996793 357767648 /nfs/dbraw/zinc/76/76/48/357767648.db2.gz UBNHWVIWZPFQTF-UHFFFAOYSA-N 0 3 299.375 1.271 20 5 CDBDHN COCCCN(CCO)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000188930830 357954409 /nfs/dbraw/zinc/95/44/09/357954409.db2.gz SXXUOYAYQAIZHF-UHFFFAOYSA-N 0 3 282.340 1.734 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000286904270 358026182 /nfs/dbraw/zinc/02/61/82/358026182.db2.gz HELLXKBMCWHREA-LAHYYIKRSA-N 0 3 277.324 1.674 20 5 CDBDHN COc1ccc(CN[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000135309153 358168886 /nfs/dbraw/zinc/16/88/86/358168886.db2.gz PPDMTUCLVWERNV-KOLCDFICSA-N 0 3 266.297 1.870 20 5 CDBDHN C[C@@H]1CCN[C@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000127089339 358225318 /nfs/dbraw/zinc/22/53/18/358225318.db2.gz LJFQSODOXPOKKK-PWSUYJOCSA-N 0 3 277.324 1.599 20 5 CDBDHN COc1ccc(OC[C@@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000290854302 358683017 /nfs/dbraw/zinc/68/30/17/358683017.db2.gz XQNSPPFLPQRXIC-NSHDSACASA-N 0 3 296.323 1.437 20 5 CDBDHN CCN(C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264848489 358746683 /nfs/dbraw/zinc/74/66/83/358746683.db2.gz BMRNIHVZWLQBOG-UHFFFAOYSA-N 0 3 251.286 1.276 20 5 CDBDHN CC(C)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000176285470 358786018 /nfs/dbraw/zinc/78/60/18/358786018.db2.gz HSMSSZYOYOOTTQ-NSHDSACASA-N 0 3 284.385 1.865 20 5 CDBDHN O=C(CCN1CCSCC1)Nc1ccccc1[N+](=O)[O-] ZINC000103467838 358924305 /nfs/dbraw/zinc/92/43/05/358924305.db2.gz BOHDGKMXYDSKQR-UHFFFAOYSA-N 0 3 295.364 1.972 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(C)CC1 ZINC000287998632 359145930 /nfs/dbraw/zinc/14/59/30/359145930.db2.gz AQRAFIJDJLKUPF-UHFFFAOYSA-N 0 3 267.333 1.262 20 5 CDBDHN C[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N(C)C ZINC000037985918 359467296 /nfs/dbraw/zinc/46/72/96/359467296.db2.gz TZUAJDOEBGVDDA-QMMMGPOBSA-N 0 3 291.311 1.193 20 5 CDBDHN COCC[C@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000172069600 237308634 /nfs/dbraw/zinc/30/86/34/237308634.db2.gz CZBBWCOQFUEUFH-ZDUSSCGKSA-N 0 3 268.313 1.472 20 5 CDBDHN COc1ccc(CN(C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000135615633 359781022 /nfs/dbraw/zinc/78/10/22/359781022.db2.gz RUPQBSJOVOPQHG-VIFPVBQESA-N 0 3 254.286 1.416 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cc1F ZINC000408468924 359815545 /nfs/dbraw/zinc/81/55/45/359815545.db2.gz ONKRPGPBGKGWJO-BXKDBHETSA-N 0 3 282.319 1.905 20 5 CDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298966948 200572696 /nfs/dbraw/zinc/57/26/96/200572696.db2.gz ZINQVFGFKLSSNV-JTQLQIEISA-N 0 3 280.328 1.527 20 5 CDBDHN CN(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000358393273 360993914 /nfs/dbraw/zinc/99/39/14/360993914.db2.gz LBAJYBPVVHLLIK-UHFFFAOYSA-N 0 3 295.314 1.487 20 5 CDBDHN C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000581168599 363968394 /nfs/dbraw/zinc/96/83/94/363968394.db2.gz CUVRCDUJLDIAIA-UWVGGRQHSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@H](C[S@](C)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000168166510 363969597 /nfs/dbraw/zinc/96/95/97/363969597.db2.gz APWHNVFIKLJWMZ-HUTHGQBESA-N 0 3 256.327 1.451 20 5 CDBDHN CC[C@H](NC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000181731169 365037614 /nfs/dbraw/zinc/03/76/14/365037614.db2.gz KSNITOHQSQVYJT-UONOGXRCSA-N 0 3 280.324 1.787 20 5 CDBDHN CN1CC=C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271917446 367035626 /nfs/dbraw/zinc/03/56/26/367035626.db2.gz JQKLLKFNSJLGSX-UHFFFAOYSA-N 0 3 289.335 1.515 20 5 CDBDHN C[C@H](O)[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000272565684 367775454 /nfs/dbraw/zinc/77/54/54/367775454.db2.gz MHZONLVZOYMNAV-VHRBIJSZSA-N 0 3 280.324 1.331 20 5 CDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1=CCN(C)CC1 ZINC000330774321 203219040 /nfs/dbraw/zinc/21/90/40/203219040.db2.gz RDTRKXQQWQBSDE-VIFPVBQESA-N 0 3 278.312 1.303 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000290160542 369808736 /nfs/dbraw/zinc/80/87/36/369808736.db2.gz PZAPQTHFLXMPBD-LBPRGKRZSA-N 0 3 298.364 1.509 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000295612784 370522750 /nfs/dbraw/zinc/52/27/50/370522750.db2.gz GLOWPDGYXNSLEX-SSDOTTSWSA-N 0 3 289.295 1.550 20 5 CDBDHN Cc1c(CNC[C@@H](O)CN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000314789691 371203660 /nfs/dbraw/zinc/20/36/60/371203660.db2.gz UOGUVUJBZCXHFG-CQSZACIVSA-N 0 3 293.367 1.448 20 5 CDBDHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccccc1[N+](=O)[O-] ZINC000266462418 372925889 /nfs/dbraw/zinc/92/58/89/372925889.db2.gz MLAMCTQTCCTFIC-MNOVXSKESA-N 0 3 287.323 1.852 20 5 CDBDHN CC(C)(N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423852009 246144674 /nfs/dbraw/zinc/14/46/74/246144674.db2.gz SSLJWIYTAQQYEZ-UHFFFAOYSA-N 0 3 271.704 1.602 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1COCCO1 ZINC000531683916 374505756 /nfs/dbraw/zinc/50/57/56/374505756.db2.gz NURAUPFGOBXAOG-DGCLKSJQSA-N 0 3 280.324 1.969 20 5 CDBDHN COC[C@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531966427 374521784 /nfs/dbraw/zinc/52/17/84/374521784.db2.gz BNXGAROQVUJXHM-SMDDNHRTSA-N 0 3 282.340 1.951 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](O)C2(CC2)C1 ZINC000376894601 374574252 /nfs/dbraw/zinc/57/42/52/374574252.db2.gz IJZZYZNQECJSEG-CYBMUJFWSA-N 0 3 262.309 1.860 20 5 CDBDHN C[C@H](CCN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cn1 ZINC000274499464 374675844 /nfs/dbraw/zinc/67/58/44/374675844.db2.gz RRRFOZNHAROMEO-GFCCVEGCSA-N 0 3 293.371 1.428 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)n1 ZINC000124231841 374758283 /nfs/dbraw/zinc/75/82/83/374758283.db2.gz DBZKUIUKPQNULU-GFCCVEGCSA-N 0 3 276.340 1.973 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccccc2F)c1 ZINC000037880484 374782704 /nfs/dbraw/zinc/78/27/04/374782704.db2.gz NLBVOOPCQWEKNA-LBPRGKRZSA-N 0 3 294.286 1.081 20 5 CDBDHN CS[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000296277070 375301338 /nfs/dbraw/zinc/30/13/38/375301338.db2.gz MOMXILVSSDNPCB-NSHDSACASA-N 0 3 283.353 1.194 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\CN(C)C ZINC000493554147 375462532 /nfs/dbraw/zinc/46/25/32/375462532.db2.gz LHCSJSZLXBJSIR-PLNGDYQASA-N 0 3 263.297 1.960 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCN1CCC1 ZINC000344850402 375597820 /nfs/dbraw/zinc/59/78/20/375597820.db2.gz TYPWFEBNASZUOP-UTCJRWHESA-N 0 3 261.325 1.903 20 5 CDBDHN COc1c(C(=O)NC[C@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC000354781891 375750182 /nfs/dbraw/zinc/75/01/82/375750182.db2.gz HQVTVAQVCLOXGB-SNVBAGLBSA-N 0 3 293.323 1.285 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CN1C1CC1 ZINC000133535012 375797591 /nfs/dbraw/zinc/79/75/91/375797591.db2.gz IZCSFWGORUOIHQ-HTQZYQBOSA-N 0 3 278.316 1.004 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCCC2)c1 ZINC000003900517 375811819 /nfs/dbraw/zinc/81/18/19/375811819.db2.gz HJCKVQGTMRZSKI-CYBMUJFWSA-N 0 3 280.324 1.820 20 5 CDBDHN COCC[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278670435 194095027 /nfs/dbraw/zinc/09/50/27/194095027.db2.gz LPBIFNBQQQTUMK-VIFPVBQESA-N 0 3 278.312 1.986 20 5 CDBDHN Cc1ccc(CNCCn2ccnc2)cc1[N+](=O)[O-] ZINC000041063698 379322095 /nfs/dbraw/zinc/32/20/95/379322095.db2.gz DWUNQHCYDOTRBS-UHFFFAOYSA-N 0 3 260.297 1.890 20 5 CDBDHN C[C@@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279219991 194338157 /nfs/dbraw/zinc/33/81/57/194338157.db2.gz HZMLTXWWNNHZGE-SKDRFNHKSA-N 0 3 277.324 1.972 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000451219592 390604626 /nfs/dbraw/zinc/60/46/26/390604626.db2.gz DKRFCWFTOKUIQD-GASCZTMLSA-N 0 3 291.351 1.548 20 5 CDBDHN COC[C@](C)(O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517173217 390968595 /nfs/dbraw/zinc/96/85/95/390968595.db2.gz RUKNARDETJHNAQ-GXTWGEPZSA-N 0 3 280.324 1.569 20 5 CDBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000153267574 391936535 /nfs/dbraw/zinc/93/65/35/391936535.db2.gz FWLLLIHMPYMIAH-VIFPVBQESA-N 0 3 293.327 1.065 20 5 CDBDHN CC(COC(=O)C1CN(C(=O)OC(C)(C)C)C1)[N+](=O)[O-] ZINC000496548456 391923480 /nfs/dbraw/zinc/92/34/80/391923480.db2.gz MALYNLFGCASQRR-QMMMGPOBSA-N 0 3 288.300 1.062 20 5 CDBDHN COCCN(CCN(C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000264116126 131396646 /nfs/dbraw/zinc/39/66/46/131396646.db2.gz CKHGPLHWZAAOGO-UHFFFAOYSA-N 0 3 295.339 1.245 20 5 CDBDHN Cc1cc(C(=O)N(C)CCN(C)C)cc([N+](=O)[O-])c1 ZINC000267142853 131825570 /nfs/dbraw/zinc/82/55/70/131825570.db2.gz USXMOUBSPYORHS-UHFFFAOYSA-N 0 3 265.313 1.537 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524776421 392919095 /nfs/dbraw/zinc/91/90/95/392919095.db2.gz DEKLYUGFZOIGPV-GFCCVEGCSA-N 0 3 291.351 1.595 20 5 CDBDHN CNC(=O)C[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000268862751 132078329 /nfs/dbraw/zinc/07/83/29/132078329.db2.gz VYRAKNFAXQYCEY-SECBINFHSA-N 0 3 281.312 1.218 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000421707416 392942516 /nfs/dbraw/zinc/94/25/16/392942516.db2.gz XIEKZCGEJFZIQR-GFCCVEGCSA-N 0 3 295.314 1.900 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1CNCCO1)CCC2 ZINC000423543181 392964417 /nfs/dbraw/zinc/96/44/17/392964417.db2.gz BOIFUCFWTUPEJA-ZFWWWQNUSA-N 0 3 291.351 1.550 20 5 CDBDHN CC(C)(NC(=O)[C@]1(F)CCNC1)c1ccc([N+](=O)[O-])cc1 ZINC000162242679 393204288 /nfs/dbraw/zinc/20/42/88/393204288.db2.gz APKQYQWEJJUBIL-AWEZNQCLSA-N 0 3 295.314 1.648 20 5 CDBDHN COCCNCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000216443933 140162883 /nfs/dbraw/zinc/16/28/83/140162883.db2.gz MPEBUWKFGHZZJV-UHFFFAOYSA-N 0 3 273.720 1.896 20 5 CDBDHN CCC(CC)(CNCc1c([N+](=O)[O-])ncn1C)C(=O)OC ZINC000343491819 152201085 /nfs/dbraw/zinc/20/10/85/152201085.db2.gz GSXFUOFUUMEGDF-UHFFFAOYSA-N 0 3 298.343 1.397 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@]1(CO)CCOC1 ZINC000359576686 158293722 /nfs/dbraw/zinc/29/37/22/158293722.db2.gz FFMHMCPDJOSQQQ-AWEZNQCLSA-N 0 3 296.323 1.057 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000359828520 158391422 /nfs/dbraw/zinc/39/14/22/158391422.db2.gz DBAAUYATKDBBJC-AWEZNQCLSA-N 0 3 296.323 1.057 20 5 CDBDHN Cc1cnc(N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC000361262254 158776697 /nfs/dbraw/zinc/77/66/97/158776697.db2.gz LZPAHGQONSOPST-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@](O)(C3CC3)C2)c1 ZINC000373277115 160188539 /nfs/dbraw/zinc/18/85/39/160188539.db2.gz FQDUYMVLTLEVAD-OAHLLOKOSA-N 0 3 292.335 1.820 20 5 CDBDHN CCN1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000008337024 170331929 /nfs/dbraw/zinc/33/19/29/170331929.db2.gz WMAGFJZDUUWNFB-UHFFFAOYSA-N 0 3 253.306 1.225 20 5 CDBDHN CO[C@H](C)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285353691 196259427 /nfs/dbraw/zinc/25/94/27/196259427.db2.gz VJHNXPJLGYLTJM-RKDXNWHRSA-N 0 3 253.302 1.863 20 5 CDBDHN CO[C@@H](C)CN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550162 196323754 /nfs/dbraw/zinc/32/37/54/196323754.db2.gz GJKMUONQOMTPNW-WCQYABFASA-N 0 3 298.339 1.301 20 5 CDBDHN C[C@@H]1CN(C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000071889229 176291004 /nfs/dbraw/zinc/29/10/04/176291004.db2.gz XNWQXQOWROTARO-GFCCVEGCSA-N 0 3 263.341 1.773 20 5 CDBDHN CC[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])N(C)C ZINC000359133706 287445399 /nfs/dbraw/zinc/44/53/99/287445399.db2.gz AIPUSXQYDGQLDV-CYBMUJFWSA-N 0 3 293.367 1.936 20 5 CDBDHN COc1cc(N2CCNC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261985932 274096489 /nfs/dbraw/zinc/09/64/89/274096489.db2.gz ONBAOACZNKWBCZ-QMMMGPOBSA-N 0 3 269.276 1.541 20 5 CDBDHN CN1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000292773157 277087610 /nfs/dbraw/zinc/08/76/10/277087610.db2.gz LFUQMXKSPOOMSM-LBPRGKRZSA-N 0 3 282.369 1.973 20 5 CDBDHN CSCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332682258 278130469 /nfs/dbraw/zinc/13/04/69/278130469.db2.gz IDORWQFZYOVPCT-UHFFFAOYSA-N 0 3 253.327 1.711 20 5 CDBDHN C[C@@H](CC(N)=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161371258 278224145 /nfs/dbraw/zinc/22/41/45/278224145.db2.gz DLADFMAVXLFJQM-IUCAKERBSA-N 0 3 251.286 1.509 20 5 CDBDHN C[C@@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588425 278403906 /nfs/dbraw/zinc/40/39/06/278403906.db2.gz VULJCSLTMYFXLP-RNCFNFMXSA-N 0 3 250.298 1.943 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCN1C ZINC000342361261 279124343 /nfs/dbraw/zinc/12/43/43/279124343.db2.gz SKTCJSSCKDBDIF-PSASIEDQSA-N 0 3 266.301 1.135 20 5 CDBDHN CCN(C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000112926733 279333529 /nfs/dbraw/zinc/33/35/29/279333529.db2.gz VUHIGJNVCNHOTC-BQYQJAHWSA-N 0 3 277.324 1.676 20 5 CDBDHN C[C@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CN1C1CC1 ZINC000267895295 280013600 /nfs/dbraw/zinc/01/36/00/280013600.db2.gz UBSKSFKWZMUUAR-IUCAKERBSA-N 0 3 265.317 1.365 20 5 CDBDHN CN1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000520999652 281064575 /nfs/dbraw/zinc/06/45/75/281064575.db2.gz OUDRTHXSDVCNKI-CQSZACIVSA-N 0 3 276.340 1.912 20 5 CDBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000557776646 290368686 /nfs/dbraw/zinc/36/86/86/290368686.db2.gz CXECUJYCSBOUTN-JTQLQIEISA-N 0 3 295.343 1.264 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180765517 323218682 /nfs/dbraw/zinc/21/86/82/323218682.db2.gz XZFUPNOHXYHNFO-JTQLQIEISA-N 0 3 292.339 1.249 20 5 CDBDHN Cc1nn(CCCN2CCN(C)CC2)c(C)c1[N+](=O)[O-] ZINC000181298165 323232984 /nfs/dbraw/zinc/23/29/84/323232984.db2.gz WATVHBSAFUIJGF-UHFFFAOYSA-N 0 3 281.360 1.046 20 5 CDBDHN CC(C)[C@@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000583932520 325269958 /nfs/dbraw/zinc/26/99/58/325269958.db2.gz TUAYHRNHMPIAIY-GFCCVEGCSA-N 0 3 281.312 1.073 20 5 CDBDHN COCC[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052808103 521823301 /nfs/dbraw/zinc/82/33/01/521823301.db2.gz NEFWPUAOTUVKSN-BXKDBHETSA-N 0 3 281.312 1.136 20 5 CDBDHN CO[C@@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337256698 523684592 /nfs/dbraw/zinc/68/45/92/523684592.db2.gz SRGGCLYJFOCBND-LLVKDONJSA-N 0 3 293.323 1.644 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1 ZINC000365834045 527348616 /nfs/dbraw/zinc/34/86/16/527348616.db2.gz ACFJNEZJUNRSHX-AWEZNQCLSA-N 0 3 262.309 1.942 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237034153 535953248 /nfs/dbraw/zinc/95/32/48/535953248.db2.gz LUWVQTPPCSKXKA-GWCFXTLKSA-N 0 3 279.340 1.627 20 5 CDBDHN C[C@@H]1COC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932495077 617316648 /nfs/dbraw/zinc/31/66/48/617316648.db2.gz XIXRAZHPVPNNAJ-MFKMUULPSA-N 0 3 293.323 1.182 20 5 CDBDHN CC(COC(=O)c1cccc2nccnc21)[N+](=O)[O-] ZINC000813102338 617342560 /nfs/dbraw/zinc/34/25/60/617342560.db2.gz DUKJLFJBDJOFPD-QMMMGPOBSA-N 0 3 261.237 1.452 20 5 CDBDHN CSc1ncc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813108872 617345531 /nfs/dbraw/zinc/34/55/31/617345531.db2.gz MIRVNFIUZLMCAB-RXMQYKEDSA-N 0 3 291.716 1.674 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1N1CCN(CCC(C)(C)C)CC1 ZINC000891949052 617817831 /nfs/dbraw/zinc/81/78/31/617817831.db2.gz KLSQASWUOWNDPC-UHFFFAOYSA-N 0 3 295.387 1.887 20 5 CDBDHN CC(COC(=O)C[C@@H]1CCC2(CCC2)O1)[N+](=O)[O-] ZINC000893046921 618099521 /nfs/dbraw/zinc/09/95/21/618099521.db2.gz HSLVNIMWHIAQEH-UWVGGRQHSA-N 0 3 257.286 1.687 20 5 CDBDHN COc1c(O)ccc(CNC[C@@H]2CCN2C)c1[N+](=O)[O-] ZINC000896595820 620161236 /nfs/dbraw/zinc/16/12/36/620161236.db2.gz PITAXYIIFDWJPU-JTQLQIEISA-N 0 3 281.312 1.103 20 5 CDBDHN C[C@@H]1[C@H](NCC[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000905215882 626695773 /nfs/dbraw/zinc/69/57/73/626695773.db2.gz AWJTWEBRODBPMG-GHMZBOCLSA-N 0 3 287.360 1.641 20 5 CDBDHN COC(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000835456168 631649431 /nfs/dbraw/zinc/64/94/31/631649431.db2.gz SDWGEEFKNYZXBL-SECBINFHSA-N 0 3 281.264 1.224 20 5 CDBDHN CNC(=O)[C@H](C)N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315866 1162335681 /nfs/dbraw/zinc/33/56/81/1162335681.db2.gz YTGDJXMSICNKPC-ZJUUUORDSA-N 0 3 295.339 1.259 20 5 CDBDHN Cc1c(F)cnc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170564326 1162928556 /nfs/dbraw/zinc/92/85/56/1162928556.db2.gz PWPQHAQZMQHNCC-WPRPVWTQSA-N 0 3 284.291 1.226 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)OCCCO2)[N+](=O)[O-] ZINC000813111347 1163816228 /nfs/dbraw/zinc/81/62/28/1163816228.db2.gz RNSOPSFCGSGEJN-VIFPVBQESA-N 0 3 281.264 1.670 20 5 CDBDHN CC(C)CN1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001164653435 719334505 /nfs/dbraw/zinc/33/45/05/719334505.db2.gz CKKZYAKXZCRWTD-UHFFFAOYSA-N 0 3 279.344 1.350 20 5 CDBDHN C[C@@H](CN1CCCC1)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000845668800 828368737 /nfs/dbraw/zinc/36/87/37/828368737.db2.gz DGINLPJHFREJAJ-JTQLQIEISA-N 0 3 281.312 1.574 20 5 CDBDHN C[C@H](O)[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559230 828537267 /nfs/dbraw/zinc/53/72/67/828537267.db2.gz HJLYJFKJMJDNEM-GDLCADMTSA-N 0 3 280.324 1.473 20 5 CDBDHN CCOc1ccc(C(=O)NOCCN(C)C)cc1[N+](=O)[O-] ZINC000833859170 823863680 /nfs/dbraw/zinc/86/36/80/823863680.db2.gz BRXFXRASBBNPHK-UHFFFAOYSA-N 0 3 297.311 1.217 20 5 CDBDHN CC(C)(C)N1CC[C@@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000845733891 823896764 /nfs/dbraw/zinc/89/67/64/823896764.db2.gz FMTNXSJFRUSDPR-SNVBAGLBSA-N 0 3 296.327 1.207 20 5 CDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000776582228 824650528 /nfs/dbraw/zinc/65/05/28/824650528.db2.gz MQTBNZMVRAEEBA-QWHCGFSZSA-N 0 3 266.297 1.349 20 5 CDBDHN CC(COC(=O)c1cccc(Cn2ccnc2)c1)[N+](=O)[O-] ZINC000835454984 824958259 /nfs/dbraw/zinc/95/82/59/824958259.db2.gz LURZHXIPQFUQOC-NSHDSACASA-N 0 3 289.291 1.753 20 5 CDBDHN CC(=O)c1c(N(C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000882045466 825552482 /nfs/dbraw/zinc/55/24/82/825552482.db2.gz BMRHIXYWGPYTCP-UHFFFAOYSA-N 0 3 265.313 1.795 20 5 CDBDHN O=C(NCCN1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000040801370 825578743 /nfs/dbraw/zinc/57/87/43/825578743.db2.gz FYFBHKURIUCJBM-UHFFFAOYSA-N 0 3 281.287 1.560 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000092627070 826271743 /nfs/dbraw/zinc/27/17/43/826271743.db2.gz YGLOLQUNJHVHSX-NSHDSACASA-N 0 3 295.314 1.900 20 5 CDBDHN COC(=O)C1CC(NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000877721465 826725105 /nfs/dbraw/zinc/72/51/05/826725105.db2.gz OTCDQHUPYPKBDK-UHFFFAOYSA-N 0 3 294.307 1.645 20 5 CDBDHN Cc1c([C@H](C)NCCN2CCNC2=O)cccc1[N+](=O)[O-] ZINC000886743044 826840130 /nfs/dbraw/zinc/84/01/30/826840130.db2.gz RQUNCICVXZTKBI-NSHDSACASA-N 0 3 292.339 1.579 20 5 CDBDHN CC1(C)OCC(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000819226839 827899025 /nfs/dbraw/zinc/89/90/25/827899025.db2.gz YQGVAPDAMUKCNR-CYBMUJFWSA-N 0 3 296.323 1.369 20 5 CDBDHN CC(COC(=O)CCCOC1CCOCC1)[N+](=O)[O-] ZINC000870378010 828154629 /nfs/dbraw/zinc/15/46/29/828154629.db2.gz UARIVTXKQKFMES-JTQLQIEISA-N 0 3 275.301 1.171 20 5 CDBDHN Nc1nc(N[C@@H]2CNCc3ccsc32)ccc1[N+](=O)[O-] ZINC001155560140 1167230735 /nfs/dbraw/zinc/23/07/35/1167230735.db2.gz ABSKFLXRSAEVAK-MRVPVSSYSA-N 0 3 291.336 1.890 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@](C)(O)C1 ZINC001173221426 912304680 /nfs/dbraw/zinc/30/46/80/912304680.db2.gz IHOZSAHFMDOSII-WFASDCNBSA-N 0 3 294.351 1.609 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](F)[C@@H](O)C1 ZINC001173223449 912305906 /nfs/dbraw/zinc/30/59/06/912305906.db2.gz ADSJXWGYIHOOQI-SWHYSGLUSA-N 0 3 282.315 1.931 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667624 903646418 /nfs/dbraw/zinc/64/64/18/903646418.db2.gz ULSXREUHUBBECL-QMMMGPOBSA-O 0 3 256.282 1.169 20 5 CDBDHN NCc1ccnn1-c1nccc2ccc([N+](=O)[O-])cc21 ZINC001155124359 937638322 /nfs/dbraw/zinc/63/83/22/937638322.db2.gz HPZJXUYGSRQTSE-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CN1CCC[C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@H]21 ZINC001157259719 938470482 /nfs/dbraw/zinc/47/04/82/938470482.db2.gz FSDQAQRPNISPLK-ZYHUDNBSSA-N 0 3 262.313 1.520 20 5 CDBDHN CN1CCN(C(=N)Nc2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001157910780 938561444 /nfs/dbraw/zinc/56/14/44/938561444.db2.gz RAONZXUPNVUIHB-UHFFFAOYSA-N 0 3 298.734 1.237 20 5 CDBDHN Cc1ccnc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159497440 938734393 /nfs/dbraw/zinc/73/43/93/938734393.db2.gz NWZBEEGCSRGIOM-UWVGGRQHSA-N 0 3 266.301 1.087 20 5 CDBDHN Cc1cc(CN)nn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001163984870 939371686 /nfs/dbraw/zinc/37/16/86/939371686.db2.gz CTQZGSLEDRNPRS-UHFFFAOYSA-N 0 3 290.308 1.552 20 5 CDBDHN O=[N+]([O-])c1ccc2nc(-n3cnc4c3CNCC4)cnc2c1 ZINC001164310285 939451380 /nfs/dbraw/zinc/45/13/80/939451380.db2.gz OESFVIURHWWUPW-UHFFFAOYSA-N 0 3 296.290 1.369 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2-n1cnc2c1CNCC2 ZINC001164313262 939451847 /nfs/dbraw/zinc/45/18/47/939451847.db2.gz CRHQQTAXJZZAID-UHFFFAOYSA-N 0 3 296.290 1.369 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1-n1ncc2c1CCNC2 ZINC001165218957 939526336 /nfs/dbraw/zinc/52/63/36/939526336.db2.gz SVOKLFVJMQWFKL-UHFFFAOYSA-N 0 3 259.269 1.130 20 5 CDBDHN Nc1cc2nc3ccccc3nc2cc1NC(=O)C1(N)CC1 ZINC001218857986 941280470 /nfs/dbraw/zinc/28/04/70/941280470.db2.gz SCFVNSGARHMWNB-UHFFFAOYSA-N 0 3 293.330 1.795 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCN(C)C1 ZINC001223450236 941678645 /nfs/dbraw/zinc/67/86/45/941678645.db2.gz NGYKYSUETPJKMP-GFCCVEGCSA-N 0 3 294.307 1.602 20 5 CDBDHN CCN1CC[C@H](Oc2nc(C)ccc2[N+](=O)[O-])C1 ZINC001227062189 942124578 /nfs/dbraw/zinc/12/45/78/942124578.db2.gz ILBXNZLHYXACON-JTQLQIEISA-N 0 3 251.286 1.771 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234447822 943841232 /nfs/dbraw/zinc/84/12/32/943841232.db2.gz POZFSHMMUQGSAQ-SECBINFHSA-O 0 3 250.322 1.742 20 5 CDBDHN CO[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1OC ZINC001254597340 947546748 /nfs/dbraw/zinc/54/67/48/947546748.db2.gz HOENBFYRXDVVRW-KFWWJZLASA-N 0 3 292.335 1.408 20 5 CDBDHN COc1ccc(C[C@H](C)N2C[C@@H](F)[C@@H](N)C2)c([N+](=O)[O-])c1 ZINC001246528383 948230904 /nfs/dbraw/zinc/23/09/04/948230904.db2.gz WXVKJTCILFPNSM-BIMULSAOSA-N 0 3 297.330 1.515 20 5 CDBDHN COc1ccc([C@H](CN2CCCC2)NCC[N+](=O)[O-])cc1 ZINC001335434215 959800354 /nfs/dbraw/zinc/80/03/54/959800354.db2.gz ZGZNAFVHBZVPGP-HNNXBMFYSA-N 0 3 293.367 1.698 20 5 CDBDHN CC(COC(=O)CCC(=O)c1cccnc1)[N+](=O)[O-] ZINC001344847989 964460238 /nfs/dbraw/zinc/46/02/38/964460238.db2.gz NWMMIBHTIYFCGU-SECBINFHSA-N 0 3 266.253 1.253 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000589101446 342496925 /nfs/dbraw/zinc/49/69/25/342496925.db2.gz DUEFJDMMPNYYDI-VIFPVBQESA-N 0 3 273.720 1.583 20 5 CDBDHN CN(C)CCOC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000352944542 282106946 /nfs/dbraw/zinc/10/69/46/282106946.db2.gz YEPYELJXUYGVOE-UHFFFAOYSA-N 0 3 294.355 1.537 20 5 CDBDHN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN(C2CC2)C1 ZINC000590703692 342582548 /nfs/dbraw/zinc/58/25/48/342582548.db2.gz UUYIUXGRAPZWFO-JTQLQIEISA-N 0 3 279.344 1.249 20 5 CDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C)c1 ZINC000046272694 342054732 /nfs/dbraw/zinc/05/47/32/342054732.db2.gz LRKHRNNXPFBGJG-VIFPVBQESA-N 0 3 297.380 1.997 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000608905598 342084190 /nfs/dbraw/zinc/08/41/90/342084190.db2.gz GSDYNPHOCNAURM-LLVKDONJSA-N 0 3 292.339 1.244 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](N2CCCC2)C1 ZINC000608906341 342084262 /nfs/dbraw/zinc/08/42/62/342084262.db2.gz YLPDPHBYSOABIC-JTQLQIEISA-N 0 3 278.312 1.233 20 5 CDBDHN CC1(C)CN[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000592012802 342661714 /nfs/dbraw/zinc/66/17/14/342661714.db2.gz HLDOTCJOILEUSF-GFCCVEGCSA-N 0 3 292.339 1.121 20 5 CDBDHN C[C@H](O)CN(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594054895 342873032 /nfs/dbraw/zinc/87/30/32/342873032.db2.gz HFYFJKXXZQZKCN-NSHDSACASA-N 0 3 280.324 1.819 20 5 CDBDHN C[C@H]1CCN[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000126075470 187214898 /nfs/dbraw/zinc/21/48/98/187214898.db2.gz RQNCPBXJPYYTSS-JOYOIKCWSA-N 0 3 263.297 1.921 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000595260707 343014256 /nfs/dbraw/zinc/01/42/56/343014256.db2.gz JSPQJSGHLLISGI-GHMZBOCLSA-N 0 3 297.286 1.115 20 5 CDBDHN COC(C)(C)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534870771 282212451 /nfs/dbraw/zinc/21/24/51/282212451.db2.gz GEUXCWPMZGACBI-UHFFFAOYSA-N 0 3 283.328 1.113 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000595541804 343093629 /nfs/dbraw/zinc/09/36/29/343093629.db2.gz CSQPUYLLQNCYBE-AAEUAGOBSA-N 0 3 298.314 1.611 20 5 CDBDHN O=[N+]([O-])c1cccc(CN(CCOCCO)C2CCC2)c1 ZINC000595600209 343115326 /nfs/dbraw/zinc/11/53/26/343115326.db2.gz OANBNNNUNQXWQL-UHFFFAOYSA-N 0 3 294.351 1.958 20 5 CDBDHN C[C@H](O)[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000595769038 343146684 /nfs/dbraw/zinc/14/66/84/343146684.db2.gz IOXUQUWBIFJLFR-SMDDNHRTSA-N 0 3 280.324 1.819 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1COCCO1 ZINC000595735491 343135354 /nfs/dbraw/zinc/13/53/54/343135354.db2.gz AMPWAQKXDDBYRT-CQSZACIVSA-N 0 3 280.324 1.485 20 5 CDBDHN C[C@@H]1CCCN(CCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000079914728 342348475 /nfs/dbraw/zinc/34/84/75/342348475.db2.gz XFHLBMWBDYLYNW-SECBINFHSA-N 0 3 280.332 1.111 20 5 CDBDHN O=c1[n-]ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596082408 343220355 /nfs/dbraw/zinc/22/03/55/343220355.db2.gz JTKBBPQOGXRBRT-VHSXEESVSA-N 0 3 278.312 1.734 20 5 CDBDHN O=c1[n-]ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596082408 343220356 /nfs/dbraw/zinc/22/03/56/343220356.db2.gz JTKBBPQOGXRBRT-VHSXEESVSA-N 0 3 278.312 1.734 20 5 CDBDHN C[NH+](C)CCn1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596099921 343235978 /nfs/dbraw/zinc/23/59/78/343235978.db2.gz ZYUYXLXDTWVQCM-UHFFFAOYSA-N 0 3 292.299 1.197 20 5 CDBDHN C[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000596145128 343243336 /nfs/dbraw/zinc/24/33/36/343243336.db2.gz GUYSTPGVPSNPIL-RKDXNWHRSA-N 0 3 266.301 1.590 20 5 CDBDHN C[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000596145128 343243338 /nfs/dbraw/zinc/24/33/38/343243338.db2.gz GUYSTPGVPSNPIL-RKDXNWHRSA-N 0 3 266.301 1.590 20 5 CDBDHN CN(CC[NH+]1CCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596296176 343290621 /nfs/dbraw/zinc/29/06/21/343290621.db2.gz TYQZYCHBRPJULN-UHFFFAOYSA-N 0 3 280.328 1.618 20 5 CDBDHN C[NH+](C)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596210520 343267384 /nfs/dbraw/zinc/26/73/84/343267384.db2.gz ZLPPWFJAQMBUMI-SNVBAGLBSA-N 0 3 280.328 1.616 20 5 CDBDHN CCN1CCN(CCNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088700552 342386877 /nfs/dbraw/zinc/38/68/77/342386877.db2.gz MEVLLRCJIMJHAG-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN CCCN1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598341632 343770215 /nfs/dbraw/zinc/77/02/15/343770215.db2.gz FBZXEXOXLXAJAM-ZDUSSCGKSA-N 0 3 291.351 1.738 20 5 CDBDHN CCN[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000602499184 344442149 /nfs/dbraw/zinc/44/21/49/344442149.db2.gz OCKONXGVNGEXLE-SNVBAGLBSA-N 0 3 265.313 1.517 20 5 CDBDHN O=[N+]([O-])c1ccc(CC[NH2+]Cc2nnc(C3CC3)[n-]2)cc1 ZINC000602672743 344522958 /nfs/dbraw/zinc/52/29/58/344522958.db2.gz HNWWORFQRQUOBP-UHFFFAOYSA-N 0 3 287.323 1.923 20 5 CDBDHN CSC[C@H]1CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780872 344596615 /nfs/dbraw/zinc/59/66/15/344596615.db2.gz BCJCMSHGDQTRHP-LLVKDONJSA-N 0 3 284.385 1.927 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](O)C12CCCC2 ZINC000602835304 344618259 /nfs/dbraw/zinc/61/82/59/344618259.db2.gz ADZSMHPSPLPIDV-GFCCVEGCSA-N 0 3 294.355 1.479 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](OC(C)C)C1 ZINC000602864138 344637927 /nfs/dbraw/zinc/63/79/27/344637927.db2.gz MWOUGQNIEXDNDW-ZDUSSCGKSA-N 0 3 296.371 1.989 20 5 CDBDHN C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159728013 362511600 /nfs/dbraw/zinc/51/16/00/362511600.db2.gz JVEPKLSIGGWGML-NSHDSACASA-N 0 3 265.313 1.631 20 5 CDBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000344241508 362559011 /nfs/dbraw/zinc/55/90/11/362559011.db2.gz WGIJMQJTKHURLU-SECBINFHSA-N 0 3 295.314 1.946 20 5 CDBDHN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCN(C)C3)n2)n1C ZINC000350257530 346334542 /nfs/dbraw/zinc/33/45/42/346334542.db2.gz ANAFXHSZYGXSRQ-MRVPVSSYSA-N 0 3 292.299 1.106 20 5 CDBDHN CC[C@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000612785926 347283330 /nfs/dbraw/zinc/28/33/30/347283330.db2.gz HBNNUZSSJZRYBM-SNVBAGLBSA-N 0 3 265.317 1.671 20 5 CDBDHN CCN(C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000066959261 347548234 /nfs/dbraw/zinc/54/82/34/347548234.db2.gz VVCPYAKJIKWDMI-UHFFFAOYSA-N 0 3 281.312 1.042 20 5 CDBDHN Cc1ccc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000033093266 348697057 /nfs/dbraw/zinc/69/70/57/348697057.db2.gz AQDOKNNDGLZVJN-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN Cc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000033093267 348697317 /nfs/dbraw/zinc/69/73/17/348697317.db2.gz AQDOKNNDGLZVJN-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN Cc1ccc([C@H](C)NCCC(N)=O)cc1[N+](=O)[O-] ZINC000036746843 362937990 /nfs/dbraw/zinc/93/79/90/362937990.db2.gz JPQMXLXHYUSXRS-VIFPVBQESA-N 0 3 251.286 1.429 20 5 CDBDHN COC[C@@H](O)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090949675 180072129 /nfs/dbraw/zinc/07/21/29/180072129.db2.gz UDQSBWWDMZQRRT-AAEUAGOBSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@H](NC[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000105932793 186091819 /nfs/dbraw/zinc/09/18/19/186091819.db2.gz AZWTWHZOYLNBIL-FZMZJTMJSA-N 0 3 279.340 1.576 20 5 CDBDHN CC(C)[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174880541 365979986 /nfs/dbraw/zinc/97/99/86/365979986.db2.gz DNHBXSMCBVADGH-GFCCVEGCSA-N 0 3 284.385 1.865 20 5 CDBDHN CC(C)(C)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000109331478 186248705 /nfs/dbraw/zinc/24/87/05/186248705.db2.gz PSWUXCWWKMDZLT-GFCCVEGCSA-N 0 3 295.339 1.463 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC(OCC3CC3)CC2)c1 ZINC000364345109 362976807 /nfs/dbraw/zinc/97/68/07/362976807.db2.gz LPEAWQOGDPFIDQ-UHFFFAOYSA-N 0 3 294.355 1.682 20 5 CDBDHN CC1CCN(CCn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000154374656 188138926 /nfs/dbraw/zinc/13/89/26/188138926.db2.gz POZBKDHOKDEYAJ-UHFFFAOYSA-N 0 3 265.313 1.488 20 5 CDBDHN Cc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000155045627 188177882 /nfs/dbraw/zinc/17/78/82/188177882.db2.gz XFAZVCSRGZDVCH-GFCCVEGCSA-N 0 3 277.324 1.601 20 5 CDBDHN CN1CC[C@@H]2CCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272190781 283079084 /nfs/dbraw/zinc/07/90/84/283079084.db2.gz MHOYBHZSEGEQHT-ZYHUDNBSSA-N 0 3 262.313 1.520 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN(C)C)C(C)C ZINC000361003797 357771454 /nfs/dbraw/zinc/77/14/54/357771454.db2.gz VHEUZAYPECSLKS-UHFFFAOYSA-N 0 3 283.376 1.896 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](N2CCCC2)C1 ZINC000408071572 357811200 /nfs/dbraw/zinc/81/12/00/357811200.db2.gz NTJCDCXBWPABBV-SNVBAGLBSA-N 0 3 293.327 1.018 20 5 CDBDHN C[C@@H]1OCC[C@]1(O)CNCc1csc([N+](=O)[O-])c1 ZINC000227966904 358667605 /nfs/dbraw/zinc/66/76/05/358667605.db2.gz DYAVWEKQJKAHCV-KWQFWETISA-N 0 3 272.326 1.286 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000287961071 359140995 /nfs/dbraw/zinc/14/09/95/359140995.db2.gz HXJPJYQUVYMZQV-NSHDSACASA-N 0 3 294.355 1.686 20 5 CDBDHN CCO[C@@H]1COCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000353190642 359581156 /nfs/dbraw/zinc/58/11/56/359581156.db2.gz OLRNCPLZCPRLGA-UONOGXRCSA-N 0 3 280.324 1.878 20 5 CDBDHN Cc1nc(NC[C@H](C)N(C)C2CC2)ncc1[N+](=O)[O-] ZINC000297324784 200149176 /nfs/dbraw/zinc/14/91/76/200149176.db2.gz ZUZNQQCIUGFYOV-QMMMGPOBSA-N 0 3 265.317 1.588 20 5 CDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1N(C)C ZINC000297641723 200249428 /nfs/dbraw/zinc/24/94/28/200249428.db2.gz XVJMUFLMKPBSPM-WDEREUQCSA-N 0 3 297.384 1.175 20 5 CDBDHN Cc1cc(NCCN2CCCC2)ncc1[N+](=O)[O-] ZINC000073000401 360068197 /nfs/dbraw/zinc/06/81/97/360068197.db2.gz CMCNZFQNEMPMCP-UHFFFAOYSA-N 0 3 250.302 1.806 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(C)CC2)n1 ZINC000166673951 360213887 /nfs/dbraw/zinc/21/38/87/360213887.db2.gz XRRVSYBKFAMUSW-UHFFFAOYSA-N 0 3 294.311 1.283 20 5 CDBDHN CS[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@H]1N(C)C ZINC000270343261 360439524 /nfs/dbraw/zinc/43/95/24/360439524.db2.gz FNBZEDLECAUWFZ-ZJUUUORDSA-N 0 3 299.400 1.119 20 5 CDBDHN C[C@H](NC[C@@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000180445131 189255685 /nfs/dbraw/zinc/25/56/85/189255685.db2.gz WZNCCCWILJEIKS-SMDDNHRTSA-N 0 3 290.323 1.503 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000037982638 361286610 /nfs/dbraw/zinc/28/66/10/361286610.db2.gz OPKVUVUUHJEKKR-NSHDSACASA-N 0 3 284.337 1.119 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412344460 240164394 /nfs/dbraw/zinc/16/43/94/240164394.db2.gz JGTHMPHHHLXSRK-LEWSCRJBSA-N 0 3 291.351 1.765 20 5 CDBDHN CNC(=O)CCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000170793240 369226768 /nfs/dbraw/zinc/22/67/68/369226768.db2.gz DCPGUKGMGFNMGK-UHFFFAOYSA-N 0 3 265.313 1.471 20 5 CDBDHN CN(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170862718 369982215 /nfs/dbraw/zinc/98/22/15/369982215.db2.gz DJVCRBCESYINOI-MRVPVSSYSA-N 0 3 269.326 1.432 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170914184 372025252 /nfs/dbraw/zinc/02/52/52/372025252.db2.gz MCILQCANJNDOOT-QMMMGPOBSA-N 0 3 269.326 1.338 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)[C@H](C)N)cc1[N+](=O)[O-] ZINC000121817937 373236675 /nfs/dbraw/zinc/23/66/75/373236675.db2.gz LIRDCIFGYPEJCR-IUCAKERBSA-N 0 3 251.286 1.428 20 5 CDBDHN CC(C)C[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810240 373400405 /nfs/dbraw/zinc/40/04/05/373400405.db2.gz NZNWEXJFOXLQMX-LBPRGKRZSA-N 0 3 279.340 1.927 20 5 CDBDHN CCN(C)C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000388712111 373675050 /nfs/dbraw/zinc/67/50/50/373675050.db2.gz IKMXRXBBBHFVBF-JTQLQIEISA-N 0 3 272.276 1.425 20 5 CDBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000027772010 374302463 /nfs/dbraw/zinc/30/24/63/374302463.db2.gz ISKNVLQGARPEHM-SNVBAGLBSA-N 0 3 281.312 1.792 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820471 246116159 /nfs/dbraw/zinc/11/61/59/246116159.db2.gz CAWPSXZSDWUCBQ-RNCFNFMXSA-N 0 3 292.339 1.248 20 5 CDBDHN C[C@H](NC[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423487762 374384990 /nfs/dbraw/zinc/38/49/90/374384990.db2.gz XTXNJEOAVMXHCS-FZMZJTMJSA-N 0 3 278.356 1.149 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423530189 374389135 /nfs/dbraw/zinc/38/91/35/374389135.db2.gz WONOWGGOUKSVDD-WCQYABFASA-N 0 3 279.340 1.542 20 5 CDBDHN Nc1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184917 374541958 /nfs/dbraw/zinc/54/19/58/374541958.db2.gz CSMXNPHGDDHVBG-VXGBXAGGSA-N 0 3 292.339 1.452 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H](CO)[C@@H]1CCOC1 ZINC000280260919 374988814 /nfs/dbraw/zinc/98/88/14/374988814.db2.gz JVMWPFYDULOCIB-CHWSQXEVSA-N 0 3 280.324 1.329 20 5 CDBDHN CCOCC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282495908 375090623 /nfs/dbraw/zinc/09/06/23/375090623.db2.gz QIJXPJFZPYRWPS-HNNXBMFYSA-N 0 3 296.367 1.857 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCOC2)c(Cl)c1 ZINC000230146888 375526424 /nfs/dbraw/zinc/52/64/24/375526424.db2.gz NGKVQHUTFISGHL-GFCCVEGCSA-N 0 3 286.715 1.489 20 5 CDBDHN COc1ccc(CN(C)CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000353516851 375621237 /nfs/dbraw/zinc/62/12/37/375621237.db2.gz MHJHMLWRCLTNLD-UHFFFAOYSA-N 0 3 280.324 1.950 20 5 CDBDHN C[C@@H]1C[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354218937 375686068 /nfs/dbraw/zinc/68/60/68/375686068.db2.gz BYQYPYIFJLMJPO-ZJUUUORDSA-N 0 3 277.324 1.924 20 5 CDBDHN Cc1nc(NC[C@@H](O)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000133121648 375691419 /nfs/dbraw/zinc/69/14/19/375691419.db2.gz CROVWXAZAGEITH-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN COC(=O)CC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358268355 375960658 /nfs/dbraw/zinc/96/06/58/375960658.db2.gz AIHHKTZWNDXCBQ-UHFFFAOYSA-N 0 3 296.327 1.066 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000357405702 377342507 /nfs/dbraw/zinc/34/25/07/377342507.db2.gz BQBTYOGGTUSEQK-UWVGGRQHSA-N 0 3 280.328 1.146 20 5 CDBDHN C[C@@H]1[C@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000385671950 377844571 /nfs/dbraw/zinc/84/45/71/377844571.db2.gz HPXUCFDNXBFCGN-PWSUYJOCSA-N 0 3 250.298 1.798 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2CO)cc1 ZINC000069848022 378914882 /nfs/dbraw/zinc/91/48/82/378914882.db2.gz GRPFQTGBQLNVAJ-LBPRGKRZSA-N 0 3 266.297 1.430 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN(CCO)C2CC2)cc1 ZINC000048347619 285110625 /nfs/dbraw/zinc/11/06/25/285110625.db2.gz PMSARAXXOWEUBX-UHFFFAOYSA-N 0 3 250.298 1.594 20 5 CDBDHN CN(C)CC1(NC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000281140830 195120849 /nfs/dbraw/zinc/12/08/49/195120849.db2.gz VFCVEWMHJYQVRY-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286357833 390198873 /nfs/dbraw/zinc/19/88/73/390198873.db2.gz XZNQHFKVUSVPMA-JFGNBEQYSA-N 0 3 277.324 1.709 20 5 CDBDHN Cc1nc(N2CCC[C@H]2CN2CCCC2)ncc1[N+](=O)[O-] ZINC000450455879 390474125 /nfs/dbraw/zinc/47/41/25/390474125.db2.gz OWAGLDYZYJFCQG-LBPRGKRZSA-N 0 3 291.355 1.758 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415631379 391470200 /nfs/dbraw/zinc/47/02/00/391470200.db2.gz MPLPMEHLPZMEDC-DTWKUNHWSA-N 0 3 296.302 1.948 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134308130 391942857 /nfs/dbraw/zinc/94/28/57/391942857.db2.gz LONKHVUZXPVHGV-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)C2(N)CC2)cc1[N+](=O)[O-] ZINC000237488811 131036185 /nfs/dbraw/zinc/03/61/85/131036185.db2.gz VFRIEEIUJKJHNM-SECBINFHSA-N 0 3 263.297 1.572 20 5 CDBDHN CCc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262739768 131257076 /nfs/dbraw/zinc/25/70/76/131257076.db2.gz DMVHEIIMDPOANI-GHMZBOCLSA-N 0 3 291.351 1.980 20 5 CDBDHN Cc1cc(C(=O)NCCN(C)C2CC2)c(N)c([N+](=O)[O-])c1 ZINC000264140185 131399583 /nfs/dbraw/zinc/39/95/83/131399583.db2.gz WIGUUZQUWVWLIJ-UHFFFAOYSA-N 0 3 292.339 1.309 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000524775250 392919178 /nfs/dbraw/zinc/91/91/78/392919178.db2.gz ANFAZBDCYJMSEP-SECBINFHSA-N 0 3 267.285 1.259 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000421708126 392942022 /nfs/dbraw/zinc/94/20/22/392942022.db2.gz ZFFRBUQSIKPXMB-CQSZACIVSA-N 0 3 291.351 1.690 20 5 CDBDHN CN1CC=C(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000281850478 393159960 /nfs/dbraw/zinc/15/99/60/393159960.db2.gz JKQYQPPQTZQXMQ-UHFFFAOYSA-N 0 3 254.315 1.725 20 5 CDBDHN COCCNCCNc1c(C)cccc1[N+](=O)[O-] ZINC000216432298 140163287 /nfs/dbraw/zinc/16/32/87/140163287.db2.gz GGPHDBCEYZBHTG-UHFFFAOYSA-N 0 3 253.302 1.551 20 5 CDBDHN CN(C)CCOCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000226738469 140181598 /nfs/dbraw/zinc/18/15/98/140181598.db2.gz AFVSOLVJWXDKFB-UHFFFAOYSA-N 0 3 299.356 1.294 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCN(C3CCCC3)CC2)n1 ZINC000176204707 148026452 /nfs/dbraw/zinc/02/64/52/148026452.db2.gz AFOXBQOPGRGWOM-UHFFFAOYSA-N 0 3 293.371 1.352 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000334042190 149306211 /nfs/dbraw/zinc/30/62/11/149306211.db2.gz HZMABFILNMVJGY-UWVGGRQHSA-N 0 3 295.314 1.946 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@@H]1C ZINC000343071563 152021136 /nfs/dbraw/zinc/02/11/36/152021136.db2.gz FTPINOSKRMRRAG-QWRGUYRKSA-N 0 3 294.355 1.916 20 5 CDBDHN CO[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343545648 152218474 /nfs/dbraw/zinc/21/84/74/152218474.db2.gz ZAMKFAZQBRJVNL-VXGBXAGGSA-N 0 3 296.323 1.055 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)C ZINC000346141224 153067732 /nfs/dbraw/zinc/06/77/32/153067732.db2.gz QILOLMCGOMZNAZ-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N(C)CCN(C)C)n1 ZINC000359095069 158125236 /nfs/dbraw/zinc/12/52/36/158125236.db2.gz JMAJKEDEEUCSRT-UHFFFAOYSA-N 0 3 252.318 1.604 20 5 CDBDHN C[C@@H](CCN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000124243005 286809471 /nfs/dbraw/zinc/80/94/71/286809471.db2.gz YIGLQAGCGXERIJ-ZDUSSCGKSA-N 0 3 293.367 1.795 20 5 CDBDHN C[C@@H](Cn1cccn1)NCc1ccc([N+](=O)[O-])cc1 ZINC000035272171 172092845 /nfs/dbraw/zinc/09/28/45/172092845.db2.gz BYPDTJUUJGMPOM-NSHDSACASA-N 0 3 260.297 1.970 20 5 CDBDHN CO[C@H](C)CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569986 196330738 /nfs/dbraw/zinc/33/07/38/196330738.db2.gz HOZUTKBKDVREFX-NEPJUHHUSA-N 0 3 298.339 1.301 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040459108 174269192 /nfs/dbraw/zinc/26/91/92/174269192.db2.gz SJNMUZHZAWYHFO-KWQFWETISA-N 0 3 251.286 1.907 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000040464071 174273684 /nfs/dbraw/zinc/27/36/84/174273684.db2.gz KZMPZPGCOYNTAF-LLVKDONJSA-N 0 3 265.313 1.584 20 5 CDBDHN COCCOCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000044424283 175174392 /nfs/dbraw/zinc/17/43/92/175174392.db2.gz NITLPLCJQYCVIM-UHFFFAOYSA-N 0 3 268.313 1.656 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCCN1C ZINC000044563279 175206344 /nfs/dbraw/zinc/20/63/44/175206344.db2.gz ZZOLXWXIZSXMLW-VIFPVBQESA-N 0 3 253.306 1.225 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000525805719 262368213 /nfs/dbraw/zinc/36/82/13/262368213.db2.gz KOUHOJFGRFJYTR-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(N2CCO[C@H](CN(C)C)C2)c1 ZINC000266445743 277938048 /nfs/dbraw/zinc/93/80/48/277938048.db2.gz WRUIMRUVIZZUEG-GFCCVEGCSA-N 0 3 295.339 1.370 20 5 CDBDHN C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000266096699 278198349 /nfs/dbraw/zinc/19/83/49/278198349.db2.gz QSCJPLOGGDLUMJ-SNVBAGLBSA-N 0 3 265.313 1.204 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCC[C@H]1CO ZINC000230681783 280117797 /nfs/dbraw/zinc/11/77/97/280117797.db2.gz DDIJGISUNMGQBS-RYUDHWBXSA-N 0 3 250.298 1.845 20 5 CDBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000557776651 290368873 /nfs/dbraw/zinc/36/88/73/290368873.db2.gz CXECUJYCSBOUTN-SNVBAGLBSA-N 0 3 295.343 1.264 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000562938372 293220739 /nfs/dbraw/zinc/22/07/39/293220739.db2.gz KNHQCYOMSVUSFK-JTQLQIEISA-N 0 3 280.328 1.100 20 5 CDBDHN COC[C@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000382579792 323649077 /nfs/dbraw/zinc/64/90/77/323649077.db2.gz XGBOCNNWLOYVFO-ZWNOBZJWSA-N 0 3 268.313 1.643 20 5 CDBDHN CC[C@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582617418 325011911 /nfs/dbraw/zinc/01/19/11/325011911.db2.gz VYIDZPXRFZGAKB-BXKDBHETSA-N 0 3 250.298 1.943 20 5 CDBDHN CCN(C)CCNc1c(OC)cccc1[N+](=O)[O-] ZINC000583332555 325155854 /nfs/dbraw/zinc/15/58/54/325155854.db2.gz LGFBUAXVCFRVJH-UHFFFAOYSA-N 0 3 253.302 1.967 20 5 CDBDHN Cc1c(CN(C)[C@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000584151265 327050462 /nfs/dbraw/zinc/05/04/62/327050462.db2.gz RMUJYKBRYMWMGN-ZDUSSCGKSA-N 0 3 291.351 1.956 20 5 CDBDHN COc1ccc(NC(=O)[C@@H](N)CCSC)cc1[N+](=O)[O-] ZINC000136480951 524589679 /nfs/dbraw/zinc/58/96/79/524589679.db2.gz UDWAMWSTRQZISX-VIFPVBQESA-N 0 3 299.352 1.622 20 5 CDBDHN C[C@H](O)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212854 525849130 /nfs/dbraw/zinc/84/91/30/525849130.db2.gz SXGURKCDJVPVLM-RYUDHWBXSA-N 0 3 280.324 1.676 20 5 CDBDHN Cc1c([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000183326246 525894121 /nfs/dbraw/zinc/89/41/21/525894121.db2.gz HHCGXGMANMOKAQ-SECBINFHSA-N 0 3 278.316 1.184 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(N(C)C)CC1 ZINC000416306991 536885870 /nfs/dbraw/zinc/88/58/70/536885870.db2.gz IUQJNASUFVKYFF-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN Cc1cccc(C(=O)NOC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000773550714 575823690 /nfs/dbraw/zinc/82/36/90/575823690.db2.gz DLCBFWRPJGZFGD-UHFFFAOYSA-N 0 3 293.323 1.659 20 5 CDBDHN COCCOC[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000742376792 576598935 /nfs/dbraw/zinc/59/89/35/576598935.db2.gz HJDCIQPXHHNZNM-LLVKDONJSA-N 0 3 298.339 1.745 20 5 CDBDHN C[C@@H]1CCCN1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000744344907 576675960 /nfs/dbraw/zinc/67/59/60/576675960.db2.gz HPZDNADBENMTRX-GFCCVEGCSA-N 0 3 291.351 1.738 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@H](CCO)c2cccs2)n1 ZINC000754382673 576894112 /nfs/dbraw/zinc/89/41/12/576894112.db2.gz HHQUOIWRBXPQNY-SNVBAGLBSA-N 0 3 296.352 1.566 20 5 CDBDHN CC(COC(=O)[C@H]1CCOC2(CCC2)C1)[N+](=O)[O-] ZINC000893046392 618093983 /nfs/dbraw/zinc/09/39/83/618093983.db2.gz ANCZJOUQIWSHDK-ZJUUUORDSA-N 0 3 257.286 1.544 20 5 CDBDHN CCOc1ccc([C@@H]2C[C@H]2NCC[N+](=O)[O-])cc1 ZINC000905243910 626700912 /nfs/dbraw/zinc/70/09/12/626700912.db2.gz MZFTXOUPRANDMI-QWHCGFSZSA-N 0 3 250.298 1.808 20 5 CDBDHN Cc1cccc(OCCCNCC[N+](=O)[O-])c1C ZINC000905235573 626717322 /nfs/dbraw/zinc/71/73/22/626717322.db2.gz BOCMUNKCAHITMY-UHFFFAOYSA-N 0 3 252.314 1.939 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC/C=C/Cl)c1 ZINC000905708739 626934926 /nfs/dbraw/zinc/93/49/26/626934926.db2.gz SNTZLRMNGHKYSX-XGQHYKRYSA-N 0 3 286.715 1.677 20 5 CDBDHN COc1cc(C)nc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001158350142 1162906371 /nfs/dbraw/zinc/90/63/71/1162906371.db2.gz YJKHFICMEJAREX-QMMMGPOBSA-N 0 3 277.284 1.512 20 5 CDBDHN Cc1ccc(NC(=O)[C@]23C[C@H]2CCCN3)c(N)c1[N+](=O)[O-] ZINC001579723069 1172247262 /nfs/dbraw/zinc/24/72/62/1172247262.db2.gz XLVLEZZQWREQCR-OTYXRUKQSA-N 0 3 290.323 1.566 20 5 CDBDHN COc1cc(NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000134268661 1175814513 /nfs/dbraw/zinc/81/45/13/1175814513.db2.gz FTWXOUUZPLWTSQ-SNVBAGLBSA-N 0 3 267.285 1.004 20 5 CDBDHN O=[N+]([O-])c1cccc(-n2cc(CNCC3CC3)nn2)c1 ZINC000161976170 1179102956 /nfs/dbraw/zinc/10/29/56/1179102956.db2.gz MHULZEZCARFRPP-UHFFFAOYSA-N 0 3 273.296 1.675 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934038477 833068508 /nfs/dbraw/zinc/06/85/08/833068508.db2.gz AUHUURLLFAKHBL-MGPQQGTHSA-N 0 3 296.323 1.022 20 5 CDBDHN COC[C@@H](CCO)NCc1cccc([N+](=O)[O-])c1C ZINC000228342363 833313708 /nfs/dbraw/zinc/31/37/08/833313708.db2.gz HUWRDYPQNIESME-GFCCVEGCSA-N 0 3 268.313 1.390 20 5 CDBDHN C[C@@H]1[C@H](CO)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839672376 833362971 /nfs/dbraw/zinc/36/29/71/833362971.db2.gz FTQFZHKQMABCGW-ZLDLUXBVSA-N 0 3 294.351 1.721 20 5 CDBDHN Cc1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000819297277 833383885 /nfs/dbraw/zinc/38/38/85/833383885.db2.gz NQNGYCPZMOVAER-CQSZACIVSA-N 0 3 290.323 1.460 20 5 CDBDHN CC(COC(=O)c1cc(C(C)(C)C)[nH]n1)[N+](=O)[O-] ZINC000813113886 829361943 /nfs/dbraw/zinc/36/19/43/829361943.db2.gz KIFCQWMXDITXPW-ZETCQYMHSA-N 0 3 255.274 1.529 20 5 CDBDHN CC(COC(=O)[C@@H]1CN(C)C(=O)c2ccccc21)[N+](=O)[O-] ZINC000813115789 830252751 /nfs/dbraw/zinc/25/27/51/830252751.db2.gz ZRBRSFSIXYRNFG-JOYOIKCWSA-N 0 3 292.291 1.064 20 5 CDBDHN Cc1noc(CONC(=N)COC(C)C)c1[N+](=O)[O-] ZINC000853658548 830365496 /nfs/dbraw/zinc/36/54/96/830365496.db2.gz MSWTXSPRUFJVDB-UHFFFAOYSA-N 0 3 272.261 1.315 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CSCCN2)n1 ZINC000882729189 830509751 /nfs/dbraw/zinc/50/97/51/830509751.db2.gz VHSVALWDMNKJGH-SECBINFHSA-N 0 3 268.342 1.415 20 5 CDBDHN CC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813110064 830549767 /nfs/dbraw/zinc/54/97/67/830549767.db2.gz ROSYHEPAANEPAY-QMMMGPOBSA-N 0 3 266.253 1.467 20 5 CDBDHN Cn1cncc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819315914 830664512 /nfs/dbraw/zinc/66/45/12/830664512.db2.gz COVIGOMBHAAQSO-CYBMUJFWSA-N 0 3 276.296 1.152 20 5 CDBDHN COCCOCCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808791586 832227452 /nfs/dbraw/zinc/22/74/52/832227452.db2.gz FBTVLMJFRVKZJU-AWEZNQCLSA-N 0 3 298.339 1.223 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101922 832490420 /nfs/dbraw/zinc/49/04/20/832490420.db2.gz LJZMSOLFJOHULU-ZETCQYMHSA-N 0 3 284.224 1.425 20 5 CDBDHN CC[C@@H]1CN(C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195476 832720699 /nfs/dbraw/zinc/72/06/99/832720699.db2.gz ZDMSICVBPVAVSP-HIFRSBDPSA-N 0 3 293.367 1.654 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN[C@H]1CCC[C@H]1CCO ZINC000886169966 832775806 /nfs/dbraw/zinc/77/58/06/832775806.db2.gz MMDKIZSVHZDHRN-JQWIXIFHSA-N 0 3 265.313 1.631 20 5 CDBDHN CN(C)CCONC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820989822 832849858 /nfs/dbraw/zinc/84/98/58/832849858.db2.gz BUWITVRYOLMBBF-CHWSQXEVSA-N 0 3 293.323 1.308 20 5 CDBDHN CC(C)[C@H](CCO)NCc1cccnc1[N+](=O)[O-] ZINC000886125071 832852311 /nfs/dbraw/zinc/85/23/11/832852311.db2.gz IWPIKDHEPOIUNI-NSHDSACASA-N 0 3 253.302 1.486 20 5 CDBDHN CC(COC(=O)c1n[nH]c2c1CCCC2)[N+](=O)[O-] ZINC000813104448 834025507 /nfs/dbraw/zinc/02/55/07/834025507.db2.gz CVXLYHIXEUWVDC-SSDOTTSWSA-N 0 3 253.258 1.111 20 5 CDBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1cnnn1C ZINC000925153557 834205573 /nfs/dbraw/zinc/20/55/73/834205573.db2.gz MEPLTODERYZMNU-SNVBAGLBSA-N 0 3 275.312 1.617 20 5 CDBDHN CC(C)=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001017544430 834494546 /nfs/dbraw/zinc/49/45/46/834494546.db2.gz QPKNXNDELOCSQM-XJFOESAGSA-N 0 3 293.367 1.293 20 5 CDBDHN Cc1ccc(NCCN(C)CCOCCO)c([N+](=O)[O-])c1 ZINC000882951578 835230275 /nfs/dbraw/zinc/23/02/75/835230275.db2.gz LGUDYBTWBDAZBR-UHFFFAOYSA-N 0 3 297.355 1.256 20 5 CDBDHN CC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1OC ZINC000931770673 835438207 /nfs/dbraw/zinc/43/82/07/835438207.db2.gz ATIBVXOFVLQAOB-SNVBAGLBSA-N 0 3 254.286 1.464 20 5 CDBDHN CC(COC(=O)C[C@@H](n1cccn1)C(F)(F)F)[N+](=O)[O-] ZINC000851036620 835569969 /nfs/dbraw/zinc/56/99/69/835569969.db2.gz KYKGMAFKIVTLMV-HTQZYQBOSA-N 0 3 295.217 1.585 20 5 CDBDHN CC(C)Oc1nc(N2CC(C)(N(C)C)C2)ccc1[N+](=O)[O-] ZINC001165120151 924973538 /nfs/dbraw/zinc/97/35/38/924973538.db2.gz IUGSZDHXSOPTFG-UHFFFAOYSA-N 0 3 294.355 1.917 20 5 CDBDHN O=C1NCc2ccccc2[C@@H]1N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168981309 927567292 /nfs/dbraw/zinc/56/72/92/927567292.db2.gz HGFZXZFDSHMAHU-SUHUHFCYSA-N 0 3 289.335 1.393 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N[C@H](CO)c2ccccn2)C1 ZINC001168986128 927567454 /nfs/dbraw/zinc/56/74/54/927567454.db2.gz WFZBVUDEPADSNA-NTZNESFSSA-N 0 3 265.313 1.150 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](n2ncc3c2CCNC3)C1 ZINC001169011029 927617306 /nfs/dbraw/zinc/61/73/06/927617306.db2.gz HKJWMXUXUFBFML-MWLCHTKSSA-N 0 3 250.302 1.147 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ccc3ncc([N+](=O)[O-])n3c2)n1 ZINC001169234615 927850631 /nfs/dbraw/zinc/85/06/31/927850631.db2.gz ZKMSQSLKBPYKKE-MRVPVSSYSA-N 0 3 272.268 1.448 20 5 CDBDHN CN1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001157262984 929397902 /nfs/dbraw/zinc/39/79/02/929397902.db2.gz ZMBSUPKRURIZIV-SKDRFNHKSA-N 0 3 280.303 1.659 20 5 CDBDHN C[C@@H](CCO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001308722580 931913730 /nfs/dbraw/zinc/91/37/30/931913730.db2.gz LYIPYSXPSNZGLZ-QMMMGPOBSA-N 0 3 264.285 1.332 20 5 CDBDHN Cc1ccnc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)n1 ZINC001162193722 938961100 /nfs/dbraw/zinc/96/11/00/938961100.db2.gz PBNRNUCGEIDHHF-UHFFFAOYSA-N 0 3 285.307 1.909 20 5 CDBDHN NCc1cn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)cn1 ZINC001162298720 938973663 /nfs/dbraw/zinc/97/36/63/938973663.db2.gz NOEYUBDYWLSIEI-UHFFFAOYSA-N 0 3 287.254 1.927 20 5 CDBDHN Cc1cc(CN)nn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001163981737 939370812 /nfs/dbraw/zinc/37/08/12/939370812.db2.gz PRQUIHZVBGAMNO-UHFFFAOYSA-N 0 3 290.308 1.552 20 5 CDBDHN COc1cc(-n2nc(CN)cc2C)cc([N+](=O)[O-])c1C ZINC001163985815 939372311 /nfs/dbraw/zinc/37/23/11/939372311.db2.gz DGYKRIWBOMQWSQ-UHFFFAOYSA-N 0 3 276.296 1.865 20 5 CDBDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000400866149 940859338 /nfs/dbraw/zinc/85/93/38/940859338.db2.gz FKFYLRQIULFRAO-CMPLNLGQSA-N 0 3 279.340 1.975 20 5 CDBDHN CC(C)N1CC[C@H](Oc2ncccc2[N+](=O)[O-])C1 ZINC001225593454 941886091 /nfs/dbraw/zinc/88/60/91/941886091.db2.gz QVUIMXIGWWPGEN-JTQLQIEISA-N 0 3 251.286 1.851 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700587 942361933 /nfs/dbraw/zinc/36/19/33/942361933.db2.gz UAWZXIPTFMHYMS-SNVBAGLBSA-N 0 3 262.337 1.340 20 5 CDBDHN CN1CC[C@@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231053261 942769516 /nfs/dbraw/zinc/76/95/16/942769516.db2.gz NBWPHZJQBXSTNF-SECBINFHSA-N 0 3 274.280 1.621 20 5 CDBDHN COC(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001254574860 947532765 /nfs/dbraw/zinc/53/27/65/947532765.db2.gz LPEBKJGIACEULV-NSHDSACASA-N 0 3 266.297 1.271 20 5 CDBDHN C[C@H]1C[C@H](C)CN(CCn2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001328047582 955173864 /nfs/dbraw/zinc/17/38/64/955173864.db2.gz XRAJEQFCLPLTAB-UWVGGRQHSA-N 0 3 297.315 1.677 20 5 CDBDHN CC(COC(=O)c1ccn(CCC(F)(F)F)n1)[N+](=O)[O-] ZINC001343651472 964078519 /nfs/dbraw/zinc/07/85/19/964078519.db2.gz PCGXWXJYDFAUEN-ZETCQYMHSA-N 0 3 295.217 1.658 20 5 CDBDHN CN1CC[C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)[C@@H]2C1 ZINC000590582721 342576829 /nfs/dbraw/zinc/57/68/29/342576829.db2.gz TYZWMFVMRCRQLG-GXSJLCMTSA-N 0 3 277.328 1.102 20 5 CDBDHN CNc1ccc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000047852664 342104346 /nfs/dbraw/zinc/10/43/46/342104346.db2.gz ZIQZFAHTACNSSR-VIFPVBQESA-N 0 3 280.328 1.316 20 5 CDBDHN CC1(C)CNCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000591677812 342641575 /nfs/dbraw/zinc/64/15/75/342641575.db2.gz FGCIDEOEVQQAKR-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN CCC[C@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000236931139 361830839 /nfs/dbraw/zinc/83/08/39/361830839.db2.gz BFZAETBZURLRSR-NSHDSACASA-N 0 3 295.295 1.447 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CC[C@@H](CO)C1 ZINC000294970489 199276413 /nfs/dbraw/zinc/27/64/13/199276413.db2.gz FRZUNTLGKGTBNU-PWSUYJOCSA-N 0 3 250.298 1.845 20 5 CDBDHN CO[C@H](CN)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000289886413 361881450 /nfs/dbraw/zinc/88/14/50/361881450.db2.gz ICEIFCKHOJKJKF-CYBMUJFWSA-N 0 3 295.339 1.007 20 5 CDBDHN C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000042506797 342262478 /nfs/dbraw/zinc/26/24/78/342262478.db2.gz LNQDUIACHQPXHN-LBPRGKRZSA-N 0 3 291.351 1.738 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(O)CCOC1 ZINC000595036583 342997866 /nfs/dbraw/zinc/99/78/66/342997866.db2.gz SFQITFSYCDYJSS-QMTHXVAHSA-N 0 3 296.323 1.405 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H](C)N[C@@H](C)C1 ZINC000091549779 349777328 /nfs/dbraw/zinc/77/73/28/349777328.db2.gz DRLBDQIBKJLUFB-DTORHVGOSA-N 0 3 267.333 1.306 20 5 CDBDHN CN1CC[C@@H]2CN(Cc3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000595524668 343089018 /nfs/dbraw/zinc/08/90/18/343089018.db2.gz MTGBAPGEXHWBFE-RISCZKNCSA-N 0 3 279.315 1.870 20 5 CDBDHN Cc1noc(CN2CC[C@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595497474 343077844 /nfs/dbraw/zinc/07/78/44/343077844.db2.gz OITRUTALMNJLSK-RYUDHWBXSA-N 0 3 294.355 1.950 20 5 CDBDHN O=c1[n-]ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596079352 343227291 /nfs/dbraw/zinc/22/72/91/343227291.db2.gz OYTVJCIYESPRAJ-VIFPVBQESA-N 0 3 278.312 1.592 20 5 CDBDHN O=c1[n-]ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596079352 343227294 /nfs/dbraw/zinc/22/72/94/343227294.db2.gz OYTVJCIYESPRAJ-VIFPVBQESA-N 0 3 278.312 1.592 20 5 CDBDHN C[N@@H+]1CC[C@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596242665 343285024 /nfs/dbraw/zinc/28/50/24/343285024.db2.gz UGKJEBITZIPVNX-ZDUSSCGKSA-N 0 3 278.312 1.227 20 5 CDBDHN C[N@H+]1CC[C@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596242665 343285026 /nfs/dbraw/zinc/28/50/26/343285026.db2.gz UGKJEBITZIPVNX-ZDUSSCGKSA-N 0 3 278.312 1.227 20 5 CDBDHN CCOC(=O)c1ccnc(NCCN(C)C)c1[N+](=O)[O-] ZINC000090998378 342398190 /nfs/dbraw/zinc/39/81/90/342398190.db2.gz UBOHSSDWGKTUBS-UHFFFAOYSA-N 0 3 282.300 1.140 20 5 CDBDHN CCc1nn(C)c(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000094133423 342429862 /nfs/dbraw/zinc/42/98/62/342429862.db2.gz MKENVPLPSZPPFO-UHFFFAOYSA-N 0 3 293.371 1.929 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000305143128 529933324 /nfs/dbraw/zinc/93/33/24/529933324.db2.gz XCHCWBXYRXNXAJ-UHFFFAOYSA-N 0 3 282.340 1.060 20 5 CDBDHN COc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402056331 344158420 /nfs/dbraw/zinc/15/84/20/344158420.db2.gz RLLKDIODHXRWPV-ONGXEEELSA-N 0 3 266.297 1.870 20 5 CDBDHN CCN[C@@H](C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602444572 344431710 /nfs/dbraw/zinc/43/17/10/344431710.db2.gz HVPOTPRUGHUTPE-VIFPVBQESA-N 0 3 281.312 1.218 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](C)[C@@H]1C ZINC000602778646 344594279 /nfs/dbraw/zinc/59/42/79/344594279.db2.gz MSOFMKSXSXDTGF-ZJUUUORDSA-N 0 3 252.318 1.830 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343516027 362491235 /nfs/dbraw/zinc/49/12/35/362491235.db2.gz KJBNLJLZELWSMG-FZMZJTMJSA-N 0 3 291.351 1.736 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC([C@H](C)CO)CC1 ZINC000602862669 344618029 /nfs/dbraw/zinc/61/80/29/344618029.db2.gz DVXOAIQJNYIMQM-LLVKDONJSA-N 0 3 296.371 1.440 20 5 CDBDHN CN1CCN(CCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603842838 344837926 /nfs/dbraw/zinc/83/79/26/344837926.db2.gz PPRDYVOPHQMTLD-UHFFFAOYSA-N 0 3 279.344 1.039 20 5 CDBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726178 362511769 /nfs/dbraw/zinc/51/17/69/362511769.db2.gz GMQWNAVPPVRSMH-NSHDSACASA-N 0 3 265.313 1.488 20 5 CDBDHN CC[C@@H](O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000127404336 187302982 /nfs/dbraw/zinc/30/29/82/187302982.db2.gz GUQDCVXQUFZAFR-LLVKDONJSA-N 0 3 268.313 1.854 20 5 CDBDHN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000086467499 179297865 /nfs/dbraw/zinc/29/78/65/179297865.db2.gz UUIIFTBIZTXWNL-MNOVXSKESA-N 0 3 277.324 1.346 20 5 CDBDHN O=C(NCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000034929640 348698872 /nfs/dbraw/zinc/69/88/72/348698872.db2.gz SVZSGEDYCJRKFP-UHFFFAOYSA-N 0 3 277.324 1.811 20 5 CDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCN1CCCCC1 ZINC000044529264 348764231 /nfs/dbraw/zinc/76/42/31/348764231.db2.gz HXWBJWULCDZSJD-UHFFFAOYSA-N 0 3 291.351 1.739 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000068342267 349062899 /nfs/dbraw/zinc/06/28/99/349062899.db2.gz PZVPPHXSLJUARS-CYBMUJFWSA-N 0 3 291.351 1.690 20 5 CDBDHN COc1ccc(CN[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000092395041 180376635 /nfs/dbraw/zinc/37/66/35/180376635.db2.gz UECFRJMDVXHLJO-LLVKDONJSA-N 0 3 268.313 1.710 20 5 CDBDHN CN(C)CCN(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000175166256 366041619 /nfs/dbraw/zinc/04/16/19/366041619.db2.gz ILDJRUZDMLWRHD-UHFFFAOYSA-N 0 3 292.339 1.477 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273505904 192179053 /nfs/dbraw/zinc/17/90/53/192179053.db2.gz WADSGEYDZNOPKE-SNVBAGLBSA-N 0 3 296.302 1.950 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CCO)c2ccccc2)n1 ZINC000271707081 191283514 /nfs/dbraw/zinc/28/35/14/191283514.db2.gz UNXZEDNHUIXFBE-ZDUSSCGKSA-N 0 3 290.323 1.505 20 5 CDBDHN CCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037029650 363316072 /nfs/dbraw/zinc/31/60/72/363316072.db2.gz IRDVXUXISOWSRG-SNVBAGLBSA-N 0 3 251.286 1.969 20 5 CDBDHN COC[C@@H](CNC/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000358478436 356266149 /nfs/dbraw/zinc/26/61/49/356266149.db2.gz CBFJHXSNKLHEAL-SCXUMTSISA-N 0 3 280.324 1.859 20 5 CDBDHN CN(C)Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000560425868 356964109 /nfs/dbraw/zinc/96/41/09/356964109.db2.gz WXZKFGRJOPGPMY-UHFFFAOYSA-N 0 3 289.295 1.632 20 5 CDBDHN Cc1ccc(OC[C@@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000290529749 357213059 /nfs/dbraw/zinc/21/30/59/357213059.db2.gz DBQXEOFICQCYDV-LBPRGKRZSA-N 0 3 280.324 1.737 20 5 CDBDHN COC(=O)[C@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000048335822 357178353 /nfs/dbraw/zinc/17/83/53/357178353.db2.gz QGOPNACCBLUEHX-SNVBAGLBSA-N 0 3 266.297 1.836 20 5 CDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(O)c1 ZINC000181491321 357353973 /nfs/dbraw/zinc/35/39/73/357353973.db2.gz KXESLIPWWIIVTA-SNVBAGLBSA-N 0 3 276.296 1.848 20 5 CDBDHN C[C@@H](NCCN1CCOC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000361106258 357799974 /nfs/dbraw/zinc/79/99/74/357799974.db2.gz FIGRHLRFJMXKGC-QWHCGFSZSA-N 0 3 293.367 1.966 20 5 CDBDHN CC(C)[C@@H](CO)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773900 358662843 /nfs/dbraw/zinc/66/28/43/358662843.db2.gz OYYMBYYOLNPZCT-LLVKDONJSA-N 0 3 256.277 1.840 20 5 CDBDHN O=C(NCCNc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000338072518 358738097 /nfs/dbraw/zinc/73/80/97/358738097.db2.gz IWJKODACGJYKAC-UHFFFAOYSA-N 0 3 286.291 1.254 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000342365461 359024000 /nfs/dbraw/zinc/02/40/00/359024000.db2.gz WCMGTUWOCSRVHG-ZJUUUORDSA-N 0 3 292.339 1.588 20 5 CDBDHN COCCN(C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000287679672 359104225 /nfs/dbraw/zinc/10/42/25/359104225.db2.gz DEGVDOSHOHAAIP-UHFFFAOYSA-N 0 3 271.292 1.724 20 5 CDBDHN CC(=O)NCCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338360608 359119162 /nfs/dbraw/zinc/11/91/62/359119162.db2.gz OOGDFOPJASSMRL-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN CC(C)NCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015959 359275417 /nfs/dbraw/zinc/27/54/17/359275417.db2.gz FHTHQPXEZGLQHN-UHFFFAOYSA-N 0 3 251.286 1.209 20 5 CDBDHN Cc1nc(N(C)[C@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000297098907 200084401 /nfs/dbraw/zinc/08/44/01/200084401.db2.gz LAFDONXMWQPCDF-JTQLQIEISA-N 0 3 265.317 1.224 20 5 CDBDHN Cc1nc(N[C@H]2C[C@H](C)N(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553307 200225564 /nfs/dbraw/zinc/22/55/64/200225564.db2.gz QYPNUBDNSVYRQF-WPRPVWTQSA-N 0 3 277.328 1.730 20 5 CDBDHN COCCN(C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572179377 359968746 /nfs/dbraw/zinc/96/87/46/359968746.db2.gz SJAGDYZVJNWFNZ-CQSZACIVSA-N 0 3 293.367 1.750 20 5 CDBDHN CC(C)(O)CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000267426864 360795491 /nfs/dbraw/zinc/79/54/91/360795491.db2.gz NJGXCOMGFNQICS-UHFFFAOYSA-N 0 3 293.367 1.878 20 5 CDBDHN O=C1CC2(CN1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000267686609 361302857 /nfs/dbraw/zinc/30/28/57/361302857.db2.gz RKSPDSUQBGZVEM-UHFFFAOYSA-N 0 3 289.335 1.697 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](N2CCCC2)C1 ZINC000344592934 365038526 /nfs/dbraw/zinc/03/85/26/365038526.db2.gz PXFRSCUTJOOOFN-NSHDSACASA-N 0 3 292.339 1.623 20 5 CDBDHN CNC(=O)c1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000213308977 366974607 /nfs/dbraw/zinc/97/46/07/366974607.db2.gz SDZANDJMWZTEEL-VIFPVBQESA-N 0 3 280.328 1.316 20 5 CDBDHN Cc1c(NC(=O)NC[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000414696433 241333479 /nfs/dbraw/zinc/33/34/79/241333479.db2.gz HNUQHQLXOWOLBD-SNVBAGLBSA-N 0 3 294.311 1.013 20 5 CDBDHN CC(C)(CNCc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000020120739 367013401 /nfs/dbraw/zinc/01/34/01/367013401.db2.gz KZSZVWJJCWVYOR-UHFFFAOYSA-N 0 3 293.367 1.795 20 5 CDBDHN CNC(=O)CCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000170781271 369050356 /nfs/dbraw/zinc/05/03/56/369050356.db2.gz ZYKMQRLKXMZUKW-UHFFFAOYSA-N 0 3 281.312 1.042 20 5 CDBDHN C[C@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCN1C ZINC000420593439 244270678 /nfs/dbraw/zinc/27/06/78/244270678.db2.gz BWEMLTARKDDWEV-VHSXEESVSA-N 0 3 292.339 1.588 20 5 CDBDHN CCN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000301245732 369918694 /nfs/dbraw/zinc/91/86/94/369918694.db2.gz LDFFPTFFSNIEJX-VIFPVBQESA-N 0 3 280.332 1.253 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN(C)C ZINC000421737110 374328544 /nfs/dbraw/zinc/32/85/44/374328544.db2.gz HVOMXWOPNCIEKE-UHFFFAOYSA-N 0 3 265.313 1.503 20 5 CDBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000066947558 374374617 /nfs/dbraw/zinc/37/46/17/374374617.db2.gz IFDXAJOSUGBBGP-JTQLQIEISA-N 0 3 281.312 1.744 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3ccco3)C2)c1 ZINC000370002580 374374095 /nfs/dbraw/zinc/37/40/95/374374095.db2.gz QOCFFFBUSUWEEG-NSHDSACASA-N 0 3 276.296 1.874 20 5 CDBDHN Cc1ccnc(N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000274458724 374673445 /nfs/dbraw/zinc/67/34/45/374673445.db2.gz JZBHQCSTRDAIQU-UHFFFAOYSA-N 0 3 264.329 1.829 20 5 CDBDHN COc1ccc(CN[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000278112354 374831155 /nfs/dbraw/zinc/83/11/55/374831155.db2.gz BLUAZQZUQFDEGF-AWEZNQCLSA-N 0 3 296.323 1.235 20 5 CDBDHN Cc1ccccc1[C@H](CO)NCCn1ccc([N+](=O)[O-])n1 ZINC000543839929 374946264 /nfs/dbraw/zinc/94/62/64/374946264.db2.gz OALGWANTONCTMR-ZDUSSCGKSA-N 0 3 290.323 1.423 20 5 CDBDHN C[C@@H]1CSC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000352815208 375541106 /nfs/dbraw/zinc/54/11/06/375541106.db2.gz KQOYMNRBXZUMQH-HTQZYQBOSA-N 0 3 256.331 1.169 20 5 CDBDHN CN1CC[C@@](O)(CNc2ccccc2[N+](=O)[O-])C1 ZINC000358325092 375960419 /nfs/dbraw/zinc/96/04/19/375960419.db2.gz AJKBMLNYCGFPIE-GFCCVEGCSA-N 0 3 251.286 1.073 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000296485785 376303975 /nfs/dbraw/zinc/30/39/75/376303975.db2.gz QGNBTCMFZJDQGE-SNVBAGLBSA-N 0 3 277.324 1.394 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCCN1C ZINC000345290857 377817073 /nfs/dbraw/zinc/81/70/73/377817073.db2.gz MHNSNNPACRSGAL-KOLCDFICSA-N 0 3 292.339 1.390 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173455978 378430359 /nfs/dbraw/zinc/43/03/59/378430359.db2.gz CFZCJCGEXNESIO-AWEZNQCLSA-N 0 3 291.351 1.690 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCN(C)CC2)c1 ZINC000446895290 250322431 /nfs/dbraw/zinc/32/24/31/250322431.db2.gz WRFJROYWTROAAV-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN CNC(=O)[C@]1(C)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000281293815 195184600 /nfs/dbraw/zinc/18/46/00/195184600.db2.gz WTVSPJUJKKXPHU-CQSZACIVSA-N 0 3 277.324 1.553 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CNCCO1 ZINC000415091913 391014359 /nfs/dbraw/zinc/01/43/59/391014359.db2.gz DLYHQJSEOQURBX-DXTPNHAXSA-N 0 3 277.324 1.186 20 5 CDBDHN CCc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000237138344 131007726 /nfs/dbraw/zinc/00/77/26/131007726.db2.gz WIFIROBCHXCACK-WDEREUQCSA-N 0 3 291.351 1.980 20 5 CDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N(C)C ZINC000188994905 140106053 /nfs/dbraw/zinc/10/60/53/140106053.db2.gz FGEHLWWQUFOUJH-RYUDHWBXSA-N 0 3 293.367 1.982 20 5 CDBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCCF)n1 ZINC000436280826 296518599 /nfs/dbraw/zinc/51/85/99/296518599.db2.gz FLKOEJBALBLYCF-VHSXEESVSA-N 0 3 256.281 1.834 20 5 CDBDHN CCc1nn(C)c(N[C@@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343604888 152240626 /nfs/dbraw/zinc/24/06/26/152240626.db2.gz NYINBAOQLJUXJO-MWLCHTKSSA-N 0 3 281.360 1.785 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346149691 153072320 /nfs/dbraw/zinc/07/23/20/153072320.db2.gz YAMVINXWDVTHJT-MRVPVSSYSA-N 0 3 269.276 1.414 20 5 CDBDHN C[C@@H]1CCN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353995272 156210832 /nfs/dbraw/zinc/21/08/32/156210832.db2.gz HCQOOEMTUMBDFD-GFCCVEGCSA-N 0 3 291.351 1.690 20 5 CDBDHN COC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036804382 172722104 /nfs/dbraw/zinc/72/21/04/172722104.db2.gz YXXAYURBRIKNHL-VIFPVBQESA-N 0 3 252.270 1.809 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCN(C2CC2)C1 ZINC000044685248 175230749 /nfs/dbraw/zinc/23/07/49/175230749.db2.gz FVAWSVFBTVLLOU-GFCCVEGCSA-N 0 3 261.325 1.921 20 5 CDBDHN CNc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000517932940 260320174 /nfs/dbraw/zinc/32/01/74/260320174.db2.gz XWAWUUZDLSYBHB-ZJUUUORDSA-N 0 3 292.339 1.459 20 5 CDBDHN CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000397790612 270350863 /nfs/dbraw/zinc/35/08/63/270350863.db2.gz RTEKKCJMVDMOGD-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000268139023 274344505 /nfs/dbraw/zinc/34/45/05/274344505.db2.gz KAXCTVQOXIAYDG-MWLCHTKSSA-N 0 3 262.313 1.884 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274014529 274344515 /nfs/dbraw/zinc/34/45/15/274344515.db2.gz VJBTVFZJERLWKW-LDYMZIIASA-N 0 3 263.301 1.279 20 5 CDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000287396791 280115382 /nfs/dbraw/zinc/11/53/82/280115382.db2.gz YORQJWBPPHZRNF-WDEREUQCSA-N 0 3 293.323 1.887 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000262804370 280331756 /nfs/dbraw/zinc/33/17/56/280331756.db2.gz PVQZBVWYVLJBOW-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000531709953 281823257 /nfs/dbraw/zinc/82/32/57/281823257.db2.gz FGXUTRZHGJEITO-GFCCVEGCSA-N 0 3 265.313 1.551 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])c(C)n1 ZINC000578843845 324035491 /nfs/dbraw/zinc/03/54/91/324035491.db2.gz UMXOXMMXABTFBD-NEPJUHHUSA-N 0 3 291.355 1.756 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1COCCO1 ZINC000580095137 324370900 /nfs/dbraw/zinc/37/09/00/324370900.db2.gz JDPKKCSYUHNSCO-GWCFXTLKSA-N 0 3 278.308 1.587 20 5 CDBDHN COC[C@H](O)CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000338479874 522800182 /nfs/dbraw/zinc/80/01/82/522800182.db2.gz YNXZAHNUPRSIPL-JBNJFFQFSA-N 0 3 280.324 1.595 20 5 CDBDHN COC[C@H](O)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000338479877 522800393 /nfs/dbraw/zinc/80/03/93/522800393.db2.gz YNXZAHNUPRSIPL-RQWJFSOLSA-N 0 3 280.324 1.595 20 5 CDBDHN Cc1ccc(CNC[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071301660 524578305 /nfs/dbraw/zinc/57/83/05/524578305.db2.gz AJPXZONVCBVAJE-CYBMUJFWSA-N 0 3 250.298 1.764 20 5 CDBDHN CC[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N(C)C ZINC000268735265 535413200 /nfs/dbraw/zinc/41/32/00/535413200.db2.gz NHEQZHXYEWLVMP-LBPRGKRZSA-N 0 3 294.355 1.463 20 5 CDBDHN C[C@@H]1CCCN1CCNc1c([N+](=O)[O-])ncn1C ZINC000742427287 576602474 /nfs/dbraw/zinc/60/24/74/576602474.db2.gz HDUUDQZBOSKIFF-SECBINFHSA-N 0 3 253.306 1.225 20 5 CDBDHN C[C@H](N[C@H](CO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763069018 576708178 /nfs/dbraw/zinc/70/81/78/576708178.db2.gz NZCCAQSQSABUSO-JOYOIKCWSA-N 0 3 293.323 1.282 20 5 CDBDHN Cc1n[nH]c(C(=O)NC[C@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000749734197 576960015 /nfs/dbraw/zinc/96/00/15/576960015.db2.gz FXVKNRGPXWTJNY-VIFPVBQESA-N 0 3 295.343 1.231 20 5 CDBDHN COc1c(O)ccc(CNC[C@]2(C)CCCO2)c1[N+](=O)[O-] ZINC000893148201 617411519 /nfs/dbraw/zinc/41/15/19/617411519.db2.gz MSPUOPVODNRAFR-AWEZNQCLSA-N 0 3 296.323 1.968 20 5 CDBDHN Cc1ccc([C@H](CNCC[N+](=O)[O-])N2CCCC2)o1 ZINC000905089163 626605062 /nfs/dbraw/zinc/60/50/62/626605062.db2.gz MCJBCZFYFVOHFX-LBPRGKRZSA-N 0 3 267.329 1.591 20 5 CDBDHN COc1ccc(C(C)(C)CNCC[N+](=O)[O-])cc1 ZINC000905074571 626617601 /nfs/dbraw/zinc/61/76/01/626617601.db2.gz ZNYNRSMUZVGVER-UHFFFAOYSA-N 0 3 252.314 1.839 20 5 CDBDHN C[C@@H](O)C[C@@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000905158889 626641982 /nfs/dbraw/zinc/64/19/82/626641982.db2.gz LIVRKHFHZCACPU-YPMHNXCESA-N 0 3 252.314 1.407 20 5 CDBDHN Cc1ccc(F)c(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000835454239 631645420 /nfs/dbraw/zinc/64/54/20/631645420.db2.gz IOAJIOQUKPNEFM-VIFPVBQESA-N 0 3 255.245 1.885 20 5 CDBDHN CC(C)(C)N1CC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000845733890 835872195 /nfs/dbraw/zinc/87/21/95/835872195.db2.gz FMTNXSJFRUSDPR-JTQLQIEISA-N 0 3 296.327 1.207 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)NC1CC1)CC2 ZINC000843495478 836069238 /nfs/dbraw/zinc/06/92/38/836069238.db2.gz SNYREZMWNJTPNR-JTQLQIEISA-N 0 3 289.335 1.933 20 5 CDBDHN C[C@H](NCCN1CCCC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846206332 836720924 /nfs/dbraw/zinc/72/09/24/836720924.db2.gz PQDCHWCKLGGIFM-JTQLQIEISA-N 0 3 292.339 1.450 20 5 CDBDHN CC(COC(=O)[C@@H](C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000842364592 837837327 /nfs/dbraw/zinc/83/73/27/837837327.db2.gz ZHDDHVKCEHOMEH-HTQZYQBOSA-N 0 3 261.274 1.173 20 5 CDBDHN CC(COC(=O)c1cn(Cc2ccccc2)nn1)[N+](=O)[O-] ZINC000813108573 838094649 /nfs/dbraw/zinc/09/46/49/838094649.db2.gz HVBDSYNIWMJARW-JTQLQIEISA-N 0 3 290.279 1.148 20 5 CDBDHN CC(C)(C)[C@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886172980 839023397 /nfs/dbraw/zinc/02/33/97/839023397.db2.gz BHRQOAVAWRXWEH-JTQLQIEISA-N 0 3 253.302 1.486 20 5 CDBDHN CC(COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N+](=O)[O-] ZINC000813101918 840099879 /nfs/dbraw/zinc/09/98/79/840099879.db2.gz LHWPHGPOHWUTTQ-ZCFIWIBFSA-N 0 3 298.207 1.146 20 5 CDBDHN CC(COC(=O)CCCOC1CCOCC1)[N+](=O)[O-] ZINC000870378011 840347256 /nfs/dbraw/zinc/34/72/56/840347256.db2.gz UARIVTXKQKFMES-SNVBAGLBSA-N 0 3 275.301 1.171 20 5 CDBDHN CON(C)C(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000818981116 840527341 /nfs/dbraw/zinc/52/73/41/840527341.db2.gz QWRCJLKCAHDUND-UHFFFAOYSA-N 0 3 267.285 1.094 20 5 CDBDHN CC(COC(=O)c1ccc(-n2ccnc2)nc1)[N+](=O)[O-] ZINC000813113505 841006428 /nfs/dbraw/zinc/00/64/28/841006428.db2.gz RCCNQOYFIRBHKW-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(C[C@H](O)CO)C2)cc1 ZINC000930637435 841163647 /nfs/dbraw/zinc/16/36/47/841163647.db2.gz LEWCMWXYIZSARJ-JSGCOSHPSA-N 0 3 280.324 1.127 20 5 CDBDHN CC(C)(C)[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000776590430 841795567 /nfs/dbraw/zinc/79/55/67/841795567.db2.gz DTPANINEWVJFKJ-NWDGAFQWSA-N 0 3 295.339 1.118 20 5 CDBDHN CCN1C[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886097977 841865107 /nfs/dbraw/zinc/86/51/07/841865107.db2.gz HNDWTHCZYZMFNS-VXGBXAGGSA-N 0 3 278.356 1.904 20 5 CDBDHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C2CC2)n1 ZINC000870378418 842123456 /nfs/dbraw/zinc/12/34/56/842123456.db2.gz WQZQZUAFOWXQHE-MRVPVSSYSA-N 0 3 267.285 1.602 20 5 CDBDHN COc1cccc([C@@H](OC)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000851036193 842591043 /nfs/dbraw/zinc/59/10/43/842591043.db2.gz GKHJLPMAAHEQSS-BXKDBHETSA-N 0 3 283.280 1.591 20 5 CDBDHN CN(C)c1ccc(N[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001167278160 895026302 /nfs/dbraw/zinc/02/63/02/895026302.db2.gz AAOWYEWTZOVSCW-JTQLQIEISA-N 0 3 264.329 1.777 20 5 CDBDHN Nc1nc(N[C@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000094261249 915730161 /nfs/dbraw/zinc/73/01/61/915730161.db2.gz ANAFFCUHWSHOCC-VIFPVBQESA-N 0 3 263.301 1.078 20 5 CDBDHN N=c1sc2c(n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCNC2 ZINC001169035924 927645025 /nfs/dbraw/zinc/64/50/25/927645025.db2.gz MGNCBJWUCFQXON-DTWKUNHWSA-N 0 3 282.369 1.293 20 5 CDBDHN Nc1nc(=O)[nH]cc1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162789275 939139008 /nfs/dbraw/zinc/13/90/08/939139008.db2.gz YPWLROAIATXPGV-UHFFFAOYSA-N 0 3 288.267 1.019 20 5 CDBDHN O=[N+]([O-])c1c[nH]c2ccc(-n3cnc4c3CNCC4)nc21 ZINC001164316851 939453038 /nfs/dbraw/zinc/45/30/38/939453038.db2.gz QFYZUZKABFJAKM-UHFFFAOYSA-N 0 3 284.279 1.303 20 5 CDBDHN O=[N+]([O-])c1ccc2ncc(-n3ncc4c3CCNC4)nc2c1 ZINC001165219361 939526447 /nfs/dbraw/zinc/52/64/47/939526447.db2.gz XWMCBLYULAPVCO-UHFFFAOYSA-N 0 3 296.290 1.369 20 5 CDBDHN CN1CC[C@@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222925305 941642005 /nfs/dbraw/zinc/64/20/05/941642005.db2.gz LBXZMEXQSGPYMH-SNVBAGLBSA-N 0 3 277.280 1.957 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225577481 941883688 /nfs/dbraw/zinc/88/36/88/941883688.db2.gz XBZOVHRBRYLFKF-SSDOTTSWSA-O 0 3 280.270 1.675 20 5 CDBDHN CCN1CCC(Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226755143 942064400 /nfs/dbraw/zinc/06/44/00/942064400.db2.gz IYNHDIXBAXZNDV-UHFFFAOYSA-N 0 3 269.276 1.992 20 5 CDBDHN N[C@H](CC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262035631 946392123 /nfs/dbraw/zinc/39/21/23/946392123.db2.gz QDQWIZHQEXKIQF-CQSZACIVSA-N 0 3 289.335 1.607 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](O)C1 ZINC001254550326 947521263 /nfs/dbraw/zinc/52/12/63/947521263.db2.gz HRFWQIPIVFJXPP-WCQYABFASA-N 0 3 264.325 1.983 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN3CC[C@H]3C1)C2 ZINC001254605698 947553766 /nfs/dbraw/zinc/55/37/66/947553766.db2.gz CQOYWWPOSQCTPA-LSDHHAIUSA-N 0 3 273.336 1.452 20 5 CDBDHN Cc1cc(NC(=O)[C@H](N)C(C)C)cc([N+](=O)[O-])c1 ZINC001343682254 964093529 /nfs/dbraw/zinc/09/35/29/964093529.db2.gz WQUOLAPHYAJZFB-LLVKDONJSA-N 0 3 251.286 1.825 20 5 CDBDHN Cc1cnc(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001515230377 976411977 /nfs/dbraw/zinc/41/19/77/976411977.db2.gz PUGWOTFKUZHVGW-ZETCQYMHSA-N 0 3 258.661 1.865 20 5 CDBDHN C[C@H](CNC(=O)OC1CNC1)c1ccccc1[N+](=O)[O-] ZINC001576029619 1171315574 /nfs/dbraw/zinc/31/55/74/1171315574.db2.gz OVJBFBTVXGOKSM-SECBINFHSA-N 0 3 279.296 1.396 20 5 CDBDHN CCNCC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001577834127 1171752219 /nfs/dbraw/zinc/75/22/19/1171752219.db2.gz ORXJGZWHVBIKLE-UHFFFAOYSA-N 0 3 274.280 1.691 20 5 CDBDHN CN1CC[C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)[C@H]2C1 ZINC000590582742 342576816 /nfs/dbraw/zinc/57/68/16/342576816.db2.gz TYZWMFVMRCRQLG-ONGXEEELSA-N 0 3 277.328 1.102 20 5 CDBDHN O=C1NCCC[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000590971823 342612447 /nfs/dbraw/zinc/61/24/47/342612447.db2.gz OHASDIFWITWNAT-ACVFHECNSA-N 0 3 289.335 1.724 20 5 CDBDHN O=C1NCCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1 ZINC000590971924 342612498 /nfs/dbraw/zinc/61/24/98/342612498.db2.gz WXQIVONXPCAMDW-NSHDSACASA-N 0 3 263.297 1.211 20 5 CDBDHN CCN1C[C@@H](CNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000593686604 342822287 /nfs/dbraw/zinc/82/22/87/342822287.db2.gz JKUSDRJQUJXOIE-SECBINFHSA-N 0 3 283.353 1.614 20 5 CDBDHN C[C@]1(CNC/C=C/c2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453594126 252328210 /nfs/dbraw/zinc/32/82/10/252328210.db2.gz WOYLXDPTJIEPKU-CSPWOOARSA-N 0 3 289.335 1.866 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201684 342879923 /nfs/dbraw/zinc/87/99/23/342879923.db2.gz PGFQPJJAORTTFO-MNOVXSKESA-N 0 3 293.323 1.935 20 5 CDBDHN CN(C)CCNc1ccc(-c2ccc([N+](=O)[O-])nc2)cn1 ZINC000600789970 342249537 /nfs/dbraw/zinc/24/95/37/342249537.db2.gz VHEWPQRWCNUDCV-UHFFFAOYSA-N 0 3 287.323 1.447 20 5 CDBDHN C[C@H](O)[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000595767176 343146274 /nfs/dbraw/zinc/14/62/74/343146274.db2.gz WFWZGVWARYRYGD-CMPLNLGQSA-N 0 3 250.298 1.940 20 5 CDBDHN Cc1cnc(N2CC[C@@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078658316 342339073 /nfs/dbraw/zinc/33/90/73/342339073.db2.gz ODRIODLYUHWDDR-GFCCVEGCSA-N 0 3 276.340 1.973 20 5 CDBDHN CCN(C)C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000382503752 362121032 /nfs/dbraw/zinc/12/10/32/362121032.db2.gz LWPOMWHUMJUQHC-JTQLQIEISA-N 0 3 288.731 1.940 20 5 CDBDHN CS[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1N(C)C ZINC000596177992 343248792 /nfs/dbraw/zinc/24/87/92/343248792.db2.gz KHMDAVBJCQUKSR-UWVGGRQHSA-N 0 3 297.384 1.054 20 5 CDBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000596238634 343283589 /nfs/dbraw/zinc/28/35/89/343283589.db2.gz VVKLZSGEGXQPJF-QMMMGPOBSA-N 0 3 254.290 1.305 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000596448117 343324010 /nfs/dbraw/zinc/32/40/10/343324010.db2.gz VFLODRFLOUWZHM-SNVBAGLBSA-N 0 3 294.355 1.536 20 5 CDBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000092606281 342418187 /nfs/dbraw/zinc/41/81/87/342418187.db2.gz SUCJRBNECIIYBQ-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598644838 343854897 /nfs/dbraw/zinc/85/48/97/343854897.db2.gz AQMURWWMHJIWRR-QWHCGFSZSA-N 0 3 294.351 1.924 20 5 CDBDHN CCN[C@@H](C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602444619 344431929 /nfs/dbraw/zinc/43/19/29/344431929.db2.gz JOHAYKFSMNILBA-JTQLQIEISA-N 0 3 265.313 1.252 20 5 CDBDHN CC(C)CC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602439267 344417049 /nfs/dbraw/zinc/41/70/49/344417049.db2.gz JAMWRHNUQMZTCW-ZDUSSCGKSA-N 0 3 279.340 1.975 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](OCC(C)C)C1 ZINC000602786256 344599149 /nfs/dbraw/zinc/59/91/49/344599149.db2.gz FENFKYUXPZLIRF-CYBMUJFWSA-N 0 3 296.371 1.847 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000602817865 344607879 /nfs/dbraw/zinc/60/78/79/344607879.db2.gz VCFDMRMOPHZPFA-GMXVVIOVSA-N 0 3 296.371 1.581 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CSCCN2)c(Cl)c1 ZINC000603420650 344799887 /nfs/dbraw/zinc/79/98/87/344799887.db2.gz VPPKLMXKDGTPOX-ZETCQYMHSA-N 0 3 288.760 1.760 20 5 CDBDHN COC[C@@H](CO)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000603436423 344808771 /nfs/dbraw/zinc/80/87/71/344808771.db2.gz YIQDTDHAEODLIY-ASJRZHAZSA-N 0 3 280.324 1.595 20 5 CDBDHN CNC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052328777 345240821 /nfs/dbraw/zinc/24/08/21/345240821.db2.gz GNRQPSPSCGOWAT-UHFFFAOYSA-N 0 3 291.351 1.595 20 5 CDBDHN Cc1c(NC(=O)[C@@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC000609574136 345814208 /nfs/dbraw/zinc/81/42/08/345814208.db2.gz SKBHTCAWRIKJTQ-SNVBAGLBSA-N 0 3 263.297 1.793 20 5 CDBDHN O=C(NC1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000029091516 345984464 /nfs/dbraw/zinc/98/44/64/345984464.db2.gz YPVDKKCECASRSO-UHFFFAOYSA-N 0 3 289.335 1.951 20 5 CDBDHN CN(C)CCO[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000610764471 346399477 /nfs/dbraw/zinc/39/94/77/346399477.db2.gz VMQCNJYNQBZRCP-LLVKDONJSA-N 0 3 280.328 1.147 20 5 CDBDHN CCN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029606547 348672061 /nfs/dbraw/zinc/67/20/61/348672061.db2.gz MMZOBKROVJIHLO-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN COc1cc(N2C[C@@H](C)N[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000104250563 185943858 /nfs/dbraw/zinc/94/38/58/185943858.db2.gz PYAPEERBRXYYPN-AOOOYVTPSA-N 0 3 265.313 1.790 20 5 CDBDHN COC[C@@H](O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090950236 180071679 /nfs/dbraw/zinc/07/16/79/180071679.db2.gz AFNWTMZGHKEQAV-MFKMUULPSA-N 0 3 268.313 1.643 20 5 CDBDHN C[C@@H](NC(=O)C[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000091300473 180127812 /nfs/dbraw/zinc/12/78/12/180127812.db2.gz WBZWTMIDLNTYJI-ZWNOBZJWSA-N 0 3 293.323 1.151 20 5 CDBDHN O=C1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000111825760 350500417 /nfs/dbraw/zinc/50/04/17/350500417.db2.gz VUZHAAHUMODLDM-NSHDSACASA-N 0 3 263.297 1.353 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](O)C(C)(C)C1 ZINC000312860293 350796448 /nfs/dbraw/zinc/79/64/48/350796448.db2.gz QQSRTPDWEAULPP-NSHDSACASA-N 0 3 282.344 1.193 20 5 CDBDHN COc1ccc(NC(=O)C2(N)CCC2)cc1[N+](=O)[O-] ZINC000136478471 363111395 /nfs/dbraw/zinc/11/13/95/363111395.db2.gz HDVUXKRRFVMXHA-UHFFFAOYSA-N 0 3 265.269 1.423 20 5 CDBDHN C[C@H](CNCCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000572992573 363201378 /nfs/dbraw/zinc/20/13/78/363201378.db2.gz SEPODAPLIJDUCD-SNVBAGLBSA-N 0 3 286.353 1.160 20 5 CDBDHN C[C@H](CN1CCOCC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036932561 363293393 /nfs/dbraw/zinc/29/33/93/363293393.db2.gz HRBJMJIUIWMAON-OLZOCXBDSA-N 0 3 293.367 1.966 20 5 CDBDHN Cc1c(CN[C@@H](CO)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000411998521 363402838 /nfs/dbraw/zinc/40/28/38/363402838.db2.gz WGPWZOQRPKFKPK-KBPBESRZSA-N 0 3 294.351 1.780 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NCC1=CCN(C)CC1 ZINC000271884903 191389732 /nfs/dbraw/zinc/38/97/32/191389732.db2.gz VWJHICILJRGLNQ-UHFFFAOYSA-N 0 3 251.290 1.002 20 5 CDBDHN COC(=O)COC[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000295475055 291098391 /nfs/dbraw/zinc/09/83/91/291098391.db2.gz RUJJBFWKZOCRPF-WDEREUQCSA-N 0 3 296.323 1.824 20 5 CDBDHN CC[C@H](N[C@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000234034983 356693355 /nfs/dbraw/zinc/69/33/55/356693355.db2.gz GTRQTUVPCDAPDC-YPMHNXCESA-N 0 3 268.313 1.643 20 5 CDBDHN CCOCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665285 357386209 /nfs/dbraw/zinc/38/62/09/357386209.db2.gz CNMBWPRGLOIVEO-LLVKDONJSA-N 0 3 280.328 1.513 20 5 CDBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000264597822 357400189 /nfs/dbraw/zinc/40/01/89/357400189.db2.gz AKFBQGZAWCORQO-UHFFFAOYSA-N 0 3 293.371 1.064 20 5 CDBDHN Cc1cc(C(=O)N2CCNCC2(C)C)cc([N+](=O)[O-])c1 ZINC000135241284 357805395 /nfs/dbraw/zinc/80/53/95/357805395.db2.gz KIJNKCSAGKWASO-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CSC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188217865 357861121 /nfs/dbraw/zinc/86/11/21/357861121.db2.gz AEJMJBCGNPJMSR-JOYOIKCWSA-N 0 3 270.354 1.969 20 5 CDBDHN C[C@H]1CCNC(=O)[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000193700313 358317449 /nfs/dbraw/zinc/31/74/49/358317449.db2.gz JWEWPGKSIVWPNH-LNTXQQRLSA-N 0 3 289.335 1.722 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000287244320 358351164 /nfs/dbraw/zinc/35/11/64/358351164.db2.gz QILOLMCGOMZNAZ-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN CC[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000264904830 358760907 /nfs/dbraw/zinc/76/09/07/358760907.db2.gz CTDORSCWHCJTPG-JTQLQIEISA-N 0 3 294.359 1.643 20 5 CDBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014523616 359045559 /nfs/dbraw/zinc/04/55/59/359045559.db2.gz VLBKKVREFIJSEC-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN CO[C@]1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000573814183 359068464 /nfs/dbraw/zinc/06/84/64/359068464.db2.gz CAYRJPZKSOFJAQ-ZFWWWQNUSA-N 0 3 292.335 1.977 20 5 CDBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000347773944 359604808 /nfs/dbraw/zinc/60/48/08/359604808.db2.gz HLZJKYXCTAHRCS-NSHDSACASA-N 0 3 294.355 1.538 20 5 CDBDHN CC[C@@H]1CN(CCNCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000487193959 359637912 /nfs/dbraw/zinc/63/79/12/359637912.db2.gz NUACOJUZSCBMJZ-OAHLLOKOSA-N 0 3 293.367 1.795 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCSC2)cc1 ZINC000176751140 189007368 /nfs/dbraw/zinc/00/73/68/189007368.db2.gz QZQOCZHSQDZGMW-GFCCVEGCSA-N 0 3 268.338 1.552 20 5 CDBDHN COCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000054361586 360645174 /nfs/dbraw/zinc/64/51/74/360645174.db2.gz APHCOMPYGUSOLN-UHFFFAOYSA-N 0 3 254.286 1.552 20 5 CDBDHN Cc1nc(N2C[C@H]3CCCN3C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297205757 360626044 /nfs/dbraw/zinc/62/60/44/360626044.db2.gz RRYUXWIGJWKVOD-GXSJLCMTSA-N 0 3 277.328 1.366 20 5 CDBDHN Cc1ccc(CNC[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000037998138 361524458 /nfs/dbraw/zinc/52/44/58/361524458.db2.gz QBIRHPOFOWWXRS-GFCCVEGCSA-N 0 3 266.297 1.408 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCF)C2)nc1 ZINC000137513358 363996338 /nfs/dbraw/zinc/99/63/38/363996338.db2.gz HKILZZPNEWTQJU-JTQLQIEISA-N 0 3 268.292 1.836 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCNCC1 ZINC000237189874 364189878 /nfs/dbraw/zinc/18/98/78/364189878.db2.gz BPVXLZUGQCFUQT-UHFFFAOYSA-N 0 3 279.296 1.039 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199326 364443087 /nfs/dbraw/zinc/44/30/87/364443087.db2.gz OJIVUHPFYIYKLB-YGRLFVJLSA-N 0 3 289.335 1.807 20 5 CDBDHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000170863079 364416384 /nfs/dbraw/zinc/41/63/84/364416384.db2.gz IYMWEFCPKMBCND-PSKZRQQASA-N 0 3 289.335 1.771 20 5 CDBDHN CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270917008 366944587 /nfs/dbraw/zinc/94/45/87/366944587.db2.gz OPDNTQNYJCBAGI-DGCLKSJQSA-N 0 3 280.324 1.676 20 5 CDBDHN CCOC[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270954740 366947883 /nfs/dbraw/zinc/94/78/83/366947883.db2.gz YCNUKFLGVYFXSV-OAHLLOKOSA-N 0 3 294.351 1.957 20 5 CDBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN[C@H](C)C1 ZINC000420334575 244101074 /nfs/dbraw/zinc/10/10/74/244101074.db2.gz IZHUMQMHIXXBPV-MNOVXSKESA-N 0 3 292.339 1.216 20 5 CDBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330703038 203134114 /nfs/dbraw/zinc/13/41/14/203134114.db2.gz PJLNUIHVIAYVDW-SNVBAGLBSA-N 0 3 280.328 1.527 20 5 CDBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000344633363 371264311 /nfs/dbraw/zinc/26/43/11/371264311.db2.gz JEXBSWQSRZIYKT-UHFFFAOYSA-N 0 3 294.355 1.490 20 5 CDBDHN CC[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810250 373401254 /nfs/dbraw/zinc/40/12/54/373401254.db2.gz DQJUDCYURCTITF-SNVBAGLBSA-N 0 3 251.286 1.291 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091673201 374098935 /nfs/dbraw/zinc/09/89/35/374098935.db2.gz JTAAALWNTXBIPQ-DGCLKSJQSA-N 0 3 292.339 1.573 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](C)C1 ZINC000299043795 374323837 /nfs/dbraw/zinc/32/38/37/374323837.db2.gz SAAZLUXQBFDMPU-GHMZBOCLSA-N 0 3 294.355 1.773 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](OCC3CC3)C2)n1 ZINC000368791506 374328580 /nfs/dbraw/zinc/32/85/80/374328580.db2.gz LAMHOXGDWZEKGU-ZDUSSCGKSA-N 0 3 294.355 1.682 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCCN2CCC[C@H]2C1 ZINC000377481493 374603398 /nfs/dbraw/zinc/60/33/98/374603398.db2.gz LJABIUVAEWUZAN-JTQLQIEISA-N 0 3 295.364 1.967 20 5 CDBDHN COc1ccc(CN[C@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447923832 374723877 /nfs/dbraw/zinc/72/38/77/374723877.db2.gz UIIUAFNQIALHJO-YPMHNXCESA-N 0 3 296.323 1.233 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](CO)[C@@H]1CCCO1 ZINC000447975866 374728799 /nfs/dbraw/zinc/72/87/99/374728799.db2.gz IGSAVUXNMSEEMZ-ROAXPNGRSA-N 0 3 292.335 1.738 20 5 CDBDHN C[S@](=O)C1(CNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000280698063 375013904 /nfs/dbraw/zinc/01/39/04/375013904.db2.gz SEQBIIZSCOWREH-IBGZPJMESA-N 0 3 282.365 1.986 20 5 CDBDHN CCOC[C@H](O)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344818118 375527148 /nfs/dbraw/zinc/52/71/48/375527148.db2.gz FCPQSPJMOPEZMB-WASHYIJTSA-N 0 3 294.351 1.985 20 5 CDBDHN COC[C@@H](CCO)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344884248 375634528 /nfs/dbraw/zinc/63/45/28/375634528.db2.gz YMCZRFQXUWVAKM-CEFACKQISA-N 0 3 294.351 1.985 20 5 CDBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cn2)CCCN1C ZINC000354558232 375726090 /nfs/dbraw/zinc/72/60/90/375726090.db2.gz ASFWUQQBEMYNRY-PSASIEDQSA-N 0 3 251.290 1.279 20 5 CDBDHN O=[N+]([O-])c1cccc(N2CCN(CCCCCO)CC2)c1 ZINC000171144509 376264171 /nfs/dbraw/zinc/26/41/71/376264171.db2.gz QFONJENVUAAQEX-UHFFFAOYSA-N 0 3 293.367 1.879 20 5 CDBDHN Cc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000232740211 377235995 /nfs/dbraw/zinc/23/59/95/377235995.db2.gz AGSSLXFNDQFKHK-LBPRGKRZSA-N 0 3 293.323 1.610 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(C)CC1 ZINC000288080865 197000507 /nfs/dbraw/zinc/00/05/07/197000507.db2.gz HSKDTQMNOVENDT-UHFFFAOYSA-N 0 3 267.333 1.626 20 5 CDBDHN NC(=O)C[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000175228573 379669975 /nfs/dbraw/zinc/66/99/75/379669975.db2.gz OKTGFDWPQBVSPP-LLVKDONJSA-N 0 3 277.324 1.682 20 5 CDBDHN CCN1CCC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450268697 251201890 /nfs/dbraw/zinc/20/18/90/251201890.db2.gz HYXLGXIOJZSCSA-JTQLQIEISA-N 0 3 265.317 1.589 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CCCN2CCCO)c(F)c1 ZINC000450593446 251355514 /nfs/dbraw/zinc/35/55/14/251355514.db2.gz IMROFVBELMLHRV-GFCCVEGCSA-N 0 3 297.330 1.993 20 5 CDBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000298725445 285163798 /nfs/dbraw/zinc/16/37/98/285163798.db2.gz MKSMMPQGNJZKOB-CYBMUJFWSA-N 0 3 291.351 1.753 20 5 CDBDHN COC(=O)CC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000288607672 197125810 /nfs/dbraw/zinc/12/58/10/197125810.db2.gz OUWBARWCPWFMJD-SNVBAGLBSA-N 0 3 295.295 1.122 20 5 CDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000264716626 391331737 /nfs/dbraw/zinc/33/17/37/391331737.db2.gz HCZRNMBUOVPWGS-UHFFFAOYSA-N 0 3 291.311 1.663 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268152331 391285717 /nfs/dbraw/zinc/28/57/17/391285717.db2.gz MYDWIOGWVOJPOV-PSASIEDQSA-N 0 3 265.317 1.223 20 5 CDBDHN CC(COC(=O)[C@H](C)CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496469879 391921730 /nfs/dbraw/zinc/92/17/30/391921730.db2.gz NDGCJKVRWDRGDW-BDAKNGLRSA-N 0 3 290.316 1.356 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)C(C)(C)N)cc1[N+](=O)[O-] ZINC000237481217 131035341 /nfs/dbraw/zinc/03/53/41/131035341.db2.gz WPHYWFWNSJHIFD-SECBINFHSA-N 0 3 265.313 1.818 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000421234711 392929294 /nfs/dbraw/zinc/92/92/94/392929294.db2.gz FSHRQTZDIDALPT-SECBINFHSA-N 0 3 266.301 1.089 20 5 CDBDHN C[C@H](NC[C@@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486330 392963971 /nfs/dbraw/zinc/96/39/71/392963971.db2.gz WIECRKWQPQWHIE-FZMZJTMJSA-N 0 3 278.356 1.149 20 5 CDBDHN COc1cc(N2C[C@@H](C)NC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000261646448 140369195 /nfs/dbraw/zinc/36/91/95/140369195.db2.gz NXNQHALQBHVSKM-RKDXNWHRSA-N 0 3 283.303 1.929 20 5 CDBDHN COC[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650362 397608316 /nfs/dbraw/zinc/60/83/16/397608316.db2.gz MDHIVELCRARXIN-RISCZKNCSA-N 0 3 280.324 1.597 20 5 CDBDHN COCCNCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092495686 147012869 /nfs/dbraw/zinc/01/28/69/147012869.db2.gz YJVUBIKNTSWKCS-SNVBAGLBSA-N 0 3 281.312 1.008 20 5 CDBDHN CN(C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000120059215 147330987 /nfs/dbraw/zinc/33/09/87/147330987.db2.gz DSNDBOLUUSVBIK-UHFFFAOYSA-N 0 3 293.283 1.198 20 5 CDBDHN Cc1cnc(N2C[C@H](C)NC[C@H]2C)c([N+](=O)[O-])c1 ZINC000251081888 292917699 /nfs/dbraw/zinc/91/76/99/292917699.db2.gz PXWNVBALKCLXOK-VHSXEESVSA-N 0 3 250.302 1.485 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343438825 152177562 /nfs/dbraw/zinc/17/75/62/152177562.db2.gz LUJNEIAQJSNQOJ-MFKMUULPSA-N 0 3 277.324 1.807 20 5 CDBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000021797891 171325126 /nfs/dbraw/zinc/32/51/26/171325126.db2.gz FHSMAZPSJBQQGI-JTQLQIEISA-N 0 3 250.302 1.886 20 5 CDBDHN O=C(CN1CCNCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037395756 173176174 /nfs/dbraw/zinc/17/61/74/173176174.db2.gz UCVQJZLFIACDCH-UHFFFAOYSA-N 0 3 298.730 1.092 20 5 CDBDHN C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000038083176 174092857 /nfs/dbraw/zinc/09/28/57/174092857.db2.gz NHQAPFZJELNTTG-QWRGUYRKSA-N 0 3 298.364 1.680 20 5 CDBDHN CC(C)[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676219 174373924 /nfs/dbraw/zinc/37/39/24/174373924.db2.gz BEGJOCBPGAOXHD-LBPRGKRZSA-N 0 3 265.313 1.237 20 5 CDBDHN CCOC[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000044723510 175237512 /nfs/dbraw/zinc/23/75/12/175237512.db2.gz HNIQZQWMOLGPTF-LLVKDONJSA-N 0 3 268.313 1.988 20 5 CDBDHN CC(C)NC(=O)NCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000517365408 260155456 /nfs/dbraw/zinc/15/54/56/260155456.db2.gz BNYNUIPFLJCNOY-NSHDSACASA-N 0 3 294.355 1.953 20 5 CDBDHN CCO[C@@H]1COC[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000451940212 276342541 /nfs/dbraw/zinc/34/25/41/276342541.db2.gz SLZNFXVVZGNBIH-ZIAGYGMSSA-N 0 3 280.324 1.531 20 5 CDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272628264 277175644 /nfs/dbraw/zinc/17/56/44/277175644.db2.gz MVDAFGKHMWGCSU-FZMZJTMJSA-N 0 3 289.335 1.761 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](CN(C)C)C2)c1 ZINC000268037997 281012735 /nfs/dbraw/zinc/01/27/35/281012735.db2.gz NAGYYMXNORHSON-GFCCVEGCSA-N 0 3 279.340 1.670 20 5 CDBDHN Cc1cnc(N2CCC[C@@H]2CN(C)C)c([N+](=O)[O-])c1 ZINC000268644935 302349364 /nfs/dbraw/zinc/34/93/64/302349364.db2.gz SMHWFDAXKLXHBD-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN CNC(=O)CCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000566426237 316581271 /nfs/dbraw/zinc/58/12/71/316581271.db2.gz QOHVUJQWDJQKOF-UHFFFAOYSA-N 0 3 279.340 1.946 20 5 CDBDHN CC(C)N[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000577646133 317376213 /nfs/dbraw/zinc/37/62/13/317376213.db2.gz FVZBECVSMHANCB-NSHDSACASA-N 0 3 277.280 1.225 20 5 CDBDHN CN(C)CCN(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000176279950 335256489 /nfs/dbraw/zinc/25/64/89/335256489.db2.gz GWXLXIHPSRNYBN-UHFFFAOYSA-N 0 3 280.328 1.298 20 5 CDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000157704430 523174420 /nfs/dbraw/zinc/17/44/20/523174420.db2.gz JSOTXEWDAFUKHA-SNVBAGLBSA-N 0 3 295.343 1.312 20 5 CDBDHN C[C@@H](CN1CCCC1=O)NCc1cccc([N+](=O)[O-])c1 ZINC000037782999 524599180 /nfs/dbraw/zinc/59/91/80/524599180.db2.gz MUQSVYYSUAXCPS-NSHDSACASA-N 0 3 277.324 1.695 20 5 CDBDHN Cc1ccc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000052851745 526164187 /nfs/dbraw/zinc/16/41/87/526164187.db2.gz LWMKESMZWMYMLU-UHFFFAOYSA-N 0 3 277.324 1.729 20 5 CDBDHN CC(COC(=O)[C@@H]1CCOC2(CCC2)C1)[N+](=O)[O-] ZINC000893046391 618093730 /nfs/dbraw/zinc/09/37/30/618093730.db2.gz ANCZJOUQIWSHDK-VHSXEESVSA-N 0 3 257.286 1.544 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2cccnc2)cc1 ZINC000106140757 618094510 /nfs/dbraw/zinc/09/45/10/618094510.db2.gz OGDNYIRSBFZOAT-CQSZACIVSA-N 0 3 273.292 1.813 20 5 CDBDHN CN1C[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941175 618204884 /nfs/dbraw/zinc/20/48/84/618204884.db2.gz RNICULWTRHKXQU-NOZJJQNGSA-N 0 3 265.288 1.874 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1N1CCN(C)C2(CCCCC2)C1 ZINC000894042921 618285423 /nfs/dbraw/zinc/28/54/23/618285423.db2.gz ORZPENDOQBRULY-UHFFFAOYSA-N 0 3 293.371 1.783 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000894435987 618885990 /nfs/dbraw/zinc/88/59/90/618885990.db2.gz GMMAUDNJCSXNDG-GHMZBOCLSA-N 0 3 279.344 1.757 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NCCN1CCC(C)(C)C1 ZINC000897248758 620441792 /nfs/dbraw/zinc/44/17/92/620441792.db2.gz AUBPIJWIVHIMGB-UHFFFAOYSA-N 0 3 267.333 1.472 20 5 CDBDHN CC[C@H](CO)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000915875423 631848431 /nfs/dbraw/zinc/84/84/31/631848431.db2.gz JKSYYKXNRAUDSY-NXEZZACHSA-N 0 3 281.312 1.282 20 5 CDBDHN C[C@H](Nc1ccc2nc[nH]c2c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170574816 1162974946 /nfs/dbraw/zinc/97/49/46/1162974946.db2.gz UFZIISWNJYYWBO-KWQFWETISA-N 0 3 291.311 1.260 20 5 CDBDHN COc1cc(N[C@H](C)[C@H]2CNCCO2)cc([N+](=O)[O-])c1C ZINC001170574877 1162983831 /nfs/dbraw/zinc/98/38/31/1162983831.db2.gz UNAKVRSWKMEQAC-QMTHXVAHSA-N 0 3 295.339 1.701 20 5 CDBDHN CC1(C)OC[C@H](CNCc2ccc([N+](=O)[O-])cc2)O1 ZINC000230210876 844381496 /nfs/dbraw/zinc/38/14/96/844381496.db2.gz HZONJWHAEKRBDU-LBPRGKRZSA-N 0 3 266.297 1.836 20 5 CDBDHN CC(COC(=O)CN(C)c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813113492 844620080 /nfs/dbraw/zinc/62/00/80/844620080.db2.gz DXCGJQGLJHDLHW-VIFPVBQESA-N 0 3 297.267 1.239 20 5 CDBDHN COC(=O)N(C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850547884 843090256 /nfs/dbraw/zinc/09/02/56/843090256.db2.gz WIMQAXQZVGUYDP-LBPRGKRZSA-N 0 3 293.323 1.870 20 5 CDBDHN C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620350 843363129 /nfs/dbraw/zinc/36/31/29/843363129.db2.gz OLXDNGUZMOIXRJ-VXNVDRBHSA-N 0 3 289.282 1.844 20 5 CDBDHN CC1(C)CNC(=O)[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000931661332 845351704 /nfs/dbraw/zinc/35/17/04/845351704.db2.gz DGWBKHVWRKZRJR-GFCCVEGCSA-N 0 3 293.323 1.088 20 5 CDBDHN CC(COC(=O)Cc1cnn(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813109300 845475496 /nfs/dbraw/zinc/47/54/96/845475496.db2.gz RHFARNALEAYVJQ-JTQLQIEISA-N 0 3 290.279 1.018 20 5 CDBDHN CC(COC(=O)c1cc2c([nH]c1=O)CCCC2=O)[N+](=O)[O-] ZINC000813112938 845748028 /nfs/dbraw/zinc/74/80/28/845748028.db2.gz MJABCVQAEVDUAI-SSDOTTSWSA-N 0 3 294.263 1.128 20 5 CDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000813114981 845848565 /nfs/dbraw/zinc/84/85/65/845848565.db2.gz ZGYWDKKJYHADKW-QMMMGPOBSA-N 0 3 268.225 1.725 20 5 CDBDHN CC[C@]1(O)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313119 845958604 /nfs/dbraw/zinc/95/86/04/845958604.db2.gz FYOZWAFCCGQQBD-CABCVRRESA-N 0 3 294.351 1.865 20 5 CDBDHN CC(COC(=O)c1cccc(Cn2cncn2)c1)[N+](=O)[O-] ZINC000860776072 846093590 /nfs/dbraw/zinc/09/35/90/846093590.db2.gz BEBOVWQGXZKEFC-JTQLQIEISA-N 0 3 290.279 1.148 20 5 CDBDHN CC1(C)CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN1 ZINC000866327067 846104979 /nfs/dbraw/zinc/10/49/79/846104979.db2.gz SUKVEPBNTWLMFB-UHFFFAOYSA-N 0 3 295.314 1.487 20 5 CDBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000866060551 847976464 /nfs/dbraw/zinc/97/64/64/847976464.db2.gz FUVDGKLVEZICMR-NSHDSACASA-N 0 3 294.355 1.490 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](F)[C@H](O)C1 ZINC001173220441 912304840 /nfs/dbraw/zinc/30/48/40/912304840.db2.gz ADSJXWGYIHOOQI-DDTOSNHZSA-N 0 3 282.315 1.931 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cocn1 ZINC001124778605 917631594 /nfs/dbraw/zinc/63/15/94/917631594.db2.gz RAPKBHTYXCHWJE-UHFFFAOYSA-N 0 3 290.279 1.102 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC001117687913 921980201 /nfs/dbraw/zinc/98/02/01/921980201.db2.gz RALZWTKTEKMYDT-QWRGUYRKSA-N 0 3 276.340 1.757 20 5 CDBDHN Cc1ccc(CN)nc1N(C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168963220 927584480 /nfs/dbraw/zinc/58/44/80/927584480.db2.gz OTOOUYJEWAYDJY-YPMHNXCESA-N 0 3 278.356 1.730 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ncccn3)CC2)C1 ZINC001169009392 927614496 /nfs/dbraw/zinc/61/44/96/927614496.db2.gz WBROZRMUIMATMQ-CHWSQXEVSA-N 0 3 291.355 1.044 20 5 CDBDHN NCc1cn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)cn1 ZINC001154910663 937603392 /nfs/dbraw/zinc/60/33/92/937603392.db2.gz LXEVDLXYJKKRCU-UHFFFAOYSA-N 0 3 296.290 1.696 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001122457875 937933530 /nfs/dbraw/zinc/93/35/30/937933530.db2.gz YVRYXNHMTANJMO-UHFFFAOYSA-N 0 3 277.324 1.601 20 5 CDBDHN CN1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C(C)(C)C1 ZINC001156591663 938390327 /nfs/dbraw/zinc/39/03/27/938390327.db2.gz XSJAWRABZZSRHS-NSHDSACASA-N 0 3 292.339 1.247 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001159498693 938734951 /nfs/dbraw/zinc/73/49/51/938734951.db2.gz MEFSCDOAAUJACY-WDEREUQCSA-N 0 3 280.328 1.395 20 5 CDBDHN Cc1cc(CN)nn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001163980988 939369598 /nfs/dbraw/zinc/36/95/98/939369598.db2.gz CRTJLEHTIANPMT-UHFFFAOYSA-N 0 3 284.279 1.491 20 5 CDBDHN Cc1cc(CN)nn1-c1nc(Cl)ccc1[N+](=O)[O-] ZINC001163985422 939372251 /nfs/dbraw/zinc/37/22/51/939372251.db2.gz PTILOVVXPLGIOF-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN O=[N+]([O-])c1cccc2ccc(-n3cnc4c3CNCC4)nc21 ZINC001164313715 939452480 /nfs/dbraw/zinc/45/24/80/939452480.db2.gz PQURGIMSZKAWLF-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN CC[N@@H+]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666155 941896706 /nfs/dbraw/zinc/89/67/06/941896706.db2.gz GXONDMGDZIRDIW-QMMMGPOBSA-N 0 3 253.258 1.168 20 5 CDBDHN CC[N@H+]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666155 941896712 /nfs/dbraw/zinc/89/67/12/941896712.db2.gz GXONDMGDZIRDIW-QMMMGPOBSA-N 0 3 253.258 1.168 20 5 CDBDHN C[N@@H+]1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667043 941897249 /nfs/dbraw/zinc/89/72/49/941897249.db2.gz ORMNVKXRTHKURM-VIFPVBQESA-N 0 3 267.285 1.559 20 5 CDBDHN C[N@H+]1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667043 941897252 /nfs/dbraw/zinc/89/72/52/941897252.db2.gz ORMNVKXRTHKURM-VIFPVBQESA-N 0 3 267.285 1.559 20 5 CDBDHN O=[N+]([O-])c1ccc2nc(O[C@H]3C[NH+]4CCC3CC4)[n-]c2c1 ZINC001227747219 942217661 /nfs/dbraw/zinc/21/76/61/942217661.db2.gz YQKACCBKZGAONQ-ZDUSSCGKSA-N 0 3 288.307 1.944 20 5 CDBDHN CCN1CC[C@H](Oc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001228769319 942373248 /nfs/dbraw/zinc/37/32/48/942373248.db2.gz QCTVALOOHDJECR-LBPRGKRZSA-N 0 3 294.307 1.854 20 5 CDBDHN CC(COC(=O)c1cc(=O)n(C)c2ccccc12)[N+](=O)[O-] ZINC001263475610 943863271 /nfs/dbraw/zinc/86/32/71/943863271.db2.gz PQOICYZAEPJXBJ-VIFPVBQESA-N 0 3 290.275 1.361 20 5 CDBDHN CCN1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254597329 947544747 /nfs/dbraw/zinc/54/47/47/947544747.db2.gz HKZDUJMSRWWUJQ-OAHLLOKOSA-N 0 3 275.352 1.700 20 5 CDBDHN CC(COC(=O)c1cncnc1C1CC1)[N+](=O)[O-] ZINC001343653767 964080209 /nfs/dbraw/zinc/08/02/09/964080209.db2.gz XELFTNOZZKMTND-SSDOTTSWSA-N 0 3 251.242 1.176 20 5 CDBDHN CC(C)(NC(=O)OC1CNC1)c1ccc([N+](=O)[O-])cc1 ZINC001575379721 1171162659 /nfs/dbraw/zinc/16/26/59/1171162659.db2.gz BOYCIDQCPBYJIA-UHFFFAOYSA-N 0 3 279.296 1.528 20 5 CDBDHN CN1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)C1 ZINC000590141939 342522624 /nfs/dbraw/zinc/52/26/24/342522624.db2.gz SSGJTMLKOSCVTR-CQSZACIVSA-N 0 3 276.340 1.912 20 5 CDBDHN CC[C@@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000616865624 342568521 /nfs/dbraw/zinc/56/85/21/342568521.db2.gz YFUCNTAZPVYRMW-CQSZACIVSA-N 0 3 293.323 1.692 20 5 CDBDHN C[C@H]1CCCN(CCNc2c([N+](=O)[O-])ncn2C)C1 ZINC000048560084 342093114 /nfs/dbraw/zinc/09/31/14/342093114.db2.gz OTNIYWZRPNTXTP-JTQLQIEISA-N 0 3 267.333 1.472 20 5 CDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CNCCC1(F)F ZINC000591668550 342641154 /nfs/dbraw/zinc/64/11/54/342641154.db2.gz FDWACSTUQNUFCN-LLVKDONJSA-N 0 3 299.277 1.456 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000591686199 342643270 /nfs/dbraw/zinc/64/32/70/342643270.db2.gz RFSAGZIIHYRPOF-UWVGGRQHSA-N 0 3 285.250 1.164 20 5 CDBDHN Cc1c(CNC(=O)[C@@H]2NCC2(C)C)cccc1[N+](=O)[O-] ZINC000591685652 342643321 /nfs/dbraw/zinc/64/33/21/342643321.db2.gz DLPUKKQGFXXWGR-LBPRGKRZSA-N 0 3 277.324 1.517 20 5 CDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588775419 342221494 /nfs/dbraw/zinc/22/14/94/342221494.db2.gz DYPOPSSUHOQTGV-GXSJLCMTSA-N 0 3 293.327 1.017 20 5 CDBDHN Cc1cc(N2CC[C@H]3CC[C@@H](C2)N3C)ncc1[N+](=O)[O-] ZINC000074769347 342303652 /nfs/dbraw/zinc/30/36/52/342303652.db2.gz NNHWAAOUPPQRTF-NEPJUHHUSA-N 0 3 276.340 1.971 20 5 CDBDHN COc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)ccc1[N+](=O)[O-] ZINC000595261322 343014506 /nfs/dbraw/zinc/01/45/06/343014506.db2.gz WERBXQSTBGKEOO-NXEZZACHSA-N 0 3 297.286 1.115 20 5 CDBDHN Cc1cc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])s1 ZINC000596244012 343285759 /nfs/dbraw/zinc/28/57/59/343285759.db2.gz NSGDRQXTYCFZFQ-QMMMGPOBSA-N 0 3 259.331 1.299 20 5 CDBDHN CCN1CCCN(c2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000596268868 343280813 /nfs/dbraw/zinc/28/08/13/343280813.db2.gz LXHGQSAPDZYAPE-NSHDSACASA-N 0 3 264.329 1.910 20 5 CDBDHN CC(C)(C)[N@@H+]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596334501 343297616 /nfs/dbraw/zinc/29/76/16/343297616.db2.gz ANJRKKBIFYZKRG-SECBINFHSA-N 0 3 280.328 1.980 20 5 CDBDHN CC(C)(C)[N@H+]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596334501 343297618 /nfs/dbraw/zinc/29/76/18/343297618.db2.gz ANJRKKBIFYZKRG-SECBINFHSA-N 0 3 280.328 1.980 20 5 CDBDHN COc1cc(C[NH2+][C@H](C)CCCCO)c([N+](=O)[O-])cc1[O-] ZINC000295048352 199318923 /nfs/dbraw/zinc/31/89/23/199318923.db2.gz NGFYZEHNBREBPU-SNVBAGLBSA-N 0 3 298.339 1.950 20 5 CDBDHN CC[C@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000515301815 362261086 /nfs/dbraw/zinc/26/10/86/362261086.db2.gz BZCUEKZUACFGJM-ZDUSSCGKSA-N 0 3 277.324 1.823 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCOC[C@H]1O ZINC000599078896 343956113 /nfs/dbraw/zinc/95/61/13/343956113.db2.gz CMJUPNIQNDJQCR-ZLKJLUDKSA-N 0 3 280.324 1.704 20 5 CDBDHN CCN[C@@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602459123 344438336 /nfs/dbraw/zinc/43/83/36/344438336.db2.gz OZMZNSKTTCEPOV-VIFPVBQESA-N 0 3 263.297 1.482 20 5 CDBDHN CO[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602826865 344612381 /nfs/dbraw/zinc/61/23/81/344612381.db2.gz OHWIZTPOCXUMAY-ZYHUDNBSSA-N 0 3 282.344 1.599 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H](O)CC2)c1 ZINC000293133877 362532329 /nfs/dbraw/zinc/53/23/29/362532329.db2.gz NBJRBJOZYNHTNN-KBPBESRZSA-N 0 3 280.324 1.475 20 5 CDBDHN CCN1CCC[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000015164195 362602226 /nfs/dbraw/zinc/60/22/26/362602226.db2.gz UCUZDSMRZBSNIA-LLVKDONJSA-N 0 3 292.339 1.590 20 5 CDBDHN CCO[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000610485191 346297244 /nfs/dbraw/zinc/29/72/44/346297244.db2.gz BBRGSZWUJSEDBU-LLVKDONJSA-N 0 3 268.317 1.292 20 5 CDBDHN O=C(CCN1CCC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000041886299 348712330 /nfs/dbraw/zinc/71/23/30/348712330.db2.gz PEGYRNBKCKCYEQ-NSHDSACASA-N 0 3 293.323 1.380 20 5 CDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000058734063 348869541 /nfs/dbraw/zinc/86/95/41/348869541.db2.gz FAWVRZHNTFMFPB-UHFFFAOYSA-N 0 3 279.344 1.039 20 5 CDBDHN CN1CCC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000312007896 350737881 /nfs/dbraw/zinc/73/78/81/350737881.db2.gz RILNVRVVHCKFJA-GFCCVEGCSA-N 0 3 267.304 1.918 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000079767434 350966826 /nfs/dbraw/zinc/96/68/26/350966826.db2.gz KWSJTMQCBHZQQM-CYBMUJFWSA-N 0 3 250.298 1.798 20 5 CDBDHN CO[C@](C)([C@@H](C)NCc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000411948663 363384450 /nfs/dbraw/zinc/38/44/50/363384450.db2.gz NSCGPLPDXNCNGT-NOZJJQNGSA-N 0 3 282.344 1.622 20 5 CDBDHN COc1ccc(CNCC2(C)COC2)cc1[N+](=O)[O-] ZINC000083523154 357251862 /nfs/dbraw/zinc/25/18/62/357251862.db2.gz XFQPKMPJMCCEJQ-UHFFFAOYSA-N 0 3 266.297 1.730 20 5 CDBDHN COc1cc(CN[C@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000361029120 357769155 /nfs/dbraw/zinc/76/91/55/357769155.db2.gz HLVLYGDRNFZMDB-ZJUUUORDSA-N 0 3 298.339 1.861 20 5 CDBDHN C[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337472536 358048346 /nfs/dbraw/zinc/04/83/46/358048346.db2.gz QKINOSKFXXZLFU-GHMZBOCLSA-N 0 3 293.323 1.379 20 5 CDBDHN COc1ccc(CNCCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000227956105 358661295 /nfs/dbraw/zinc/66/12/95/358661295.db2.gz APYIFYCWGLGAIN-JTQLQIEISA-N 0 3 268.313 1.854 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264949013 358787234 /nfs/dbraw/zinc/78/72/34/358787234.db2.gz XUKLIRBSWAZVBI-MMQHEFTJSA-N 0 3 289.335 1.818 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CCSC1 ZINC000120037575 359068599 /nfs/dbraw/zinc/06/85/99/359068599.db2.gz FNFXCEBROWDIGL-VIFPVBQESA-N 0 3 256.331 1.229 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000451700591 359072111 /nfs/dbraw/zinc/07/21/11/359072111.db2.gz XVODCFOIYZWUMU-YRGRVCCFSA-N 0 3 294.355 1.274 20 5 CDBDHN Cc1c(CN2C[C@@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000340906259 363632383 /nfs/dbraw/zinc/63/23/83/363632383.db2.gz ATWWYIPGBKZWSV-CABZTGNLSA-N 0 3 250.298 1.858 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000408468204 359816546 /nfs/dbraw/zinc/81/65/46/359816546.db2.gz QDYFEAVGWCWCCQ-RISCZKNCSA-N 0 3 289.335 1.679 20 5 CDBDHN C[C@@H]1[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCCN1C ZINC000420613696 244280907 /nfs/dbraw/zinc/28/09/07/244280907.db2.gz SMELXBACSPNITA-MWLCHTKSSA-N 0 3 292.339 1.588 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000330888257 203355935 /nfs/dbraw/zinc/35/59/35/203355935.db2.gz GDGBOWNOUGOZBW-YPMHNXCESA-N 0 3 291.351 1.736 20 5 CDBDHN C[C@H](NC(=O)CNC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000037766548 370079358 /nfs/dbraw/zinc/07/93/58/370079358.db2.gz VVHDAHUYQSEAGT-VIFPVBQESA-N 0 3 263.297 1.524 20 5 CDBDHN CCN(C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293228426 370557836 /nfs/dbraw/zinc/55/78/36/370557836.db2.gz AQGXWWRTVFRDKB-JTQLQIEISA-N 0 3 266.345 1.779 20 5 CDBDHN C[C@H](NCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000296092789 373753065 /nfs/dbraw/zinc/75/30/65/373753065.db2.gz YHABCUJCYDATSX-LBPRGKRZSA-N 0 3 293.367 1.702 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000368639845 374321417 /nfs/dbraw/zinc/32/14/17/374321417.db2.gz YGZNLCSAUCOZFQ-WDNDVIMCSA-N 0 3 262.309 1.307 20 5 CDBDHN Cc1ccnc(NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000115516257 374411976 /nfs/dbraw/zinc/41/19/76/374411976.db2.gz JBRXPVGWKDSLOW-SNVBAGLBSA-N 0 3 250.302 1.804 20 5 CDBDHN CSCC[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000131015251 374441474 /nfs/dbraw/zinc/44/14/74/374441474.db2.gz IHHPORMQKLKVOB-LLVKDONJSA-N 0 3 297.380 1.634 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](C3CC3)C2)c1 ZINC000377493419 374605953 /nfs/dbraw/zinc/60/59/53/374605953.db2.gz LMNPVJXTPPGBEH-GFCCVEGCSA-N 0 3 264.329 1.913 20 5 CDBDHN CN1CC[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000449518864 374819159 /nfs/dbraw/zinc/81/91/59/374819159.db2.gz ORYRHSNQOJLDGG-OCCSQVGLSA-N 0 3 261.325 1.731 20 5 CDBDHN C[C@H](NC[C@@H](CO)[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000280200401 374985463 /nfs/dbraw/zinc/98/54/63/374985463.db2.gz BKHZFDLLGLVOAX-UBHSHLNASA-N 0 3 294.351 1.890 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(=O)n1CCN1CCCCC1 ZINC000096553181 375110424 /nfs/dbraw/zinc/11/04/24/375110424.db2.gz WVRKRTJMHXLRSW-UHFFFAOYSA-N 0 3 265.313 1.551 20 5 CDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCNC[C@@H]1F ZINC001580574552 1172471846 /nfs/dbraw/zinc/47/18/46/1172471846.db2.gz SEERHTDPAMREMS-QWRGUYRKSA-N 0 3 299.277 1.093 20 5 CDBDHN CC1(C)[C@H](NCc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000129354996 375192087 /nfs/dbraw/zinc/19/20/87/375192087.db2.gz RLNOORODEVRWSN-NEPJUHHUSA-N 0 3 250.298 1.844 20 5 CDBDHN C[C@H]1CSC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000352815209 375540772 /nfs/dbraw/zinc/54/07/72/375540772.db2.gz KQOYMNRBXZUMQH-JGVFFNPUSA-N 0 3 256.331 1.169 20 5 CDBDHN CCCC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353436619 375607991 /nfs/dbraw/zinc/60/79/91/375607991.db2.gz HVRNNEWKVQWEHU-LBPRGKRZSA-N 0 3 295.339 1.737 20 5 CDBDHN CS[C@@H](CO)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000219065037 375942898 /nfs/dbraw/zinc/94/28/98/375942898.db2.gz IQPAOXVUQXKRPY-SKDRFNHKSA-N 0 3 270.354 1.797 20 5 CDBDHN Cc1ccc(NC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000134267466 375946916 /nfs/dbraw/zinc/94/69/16/375946916.db2.gz VNVWQAOGCBIOBN-SNVBAGLBSA-N 0 3 251.286 1.304 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CO)C1 ZINC000266912596 378658899 /nfs/dbraw/zinc/65/88/99/378658899.db2.gz JKJCRVVBIRGSQK-QWRGUYRKSA-N 0 3 250.298 1.970 20 5 CDBDHN CCOC1CC(O)(CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000444015643 250073602 /nfs/dbraw/zinc/07/36/02/250073602.db2.gz VUIYALTURPPMOF-UHFFFAOYSA-N 0 3 280.324 1.614 20 5 CDBDHN COC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444688388 250168457 /nfs/dbraw/zinc/16/84/57/250168457.db2.gz JKVAKTUFEYRGDH-ZDUSSCGKSA-N 0 3 290.323 1.986 20 5 CDBDHN Cc1ccc(CN[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447079494 250338810 /nfs/dbraw/zinc/33/88/10/250338810.db2.gz WCMYHGLFUFLNIK-AWEZNQCLSA-N 0 3 280.324 1.534 20 5 CDBDHN O=[N+]([O-])c1ccccc1NC[C@@H]1CCCN1CCCO ZINC000450600924 251361055 /nfs/dbraw/zinc/36/10/55/251361055.db2.gz XDPHADFNFMZHDU-LBPRGKRZSA-N 0 3 279.340 1.854 20 5 CDBDHN CN1CCC[C@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491863466 253107123 /nfs/dbraw/zinc/10/71/23/253107123.db2.gz CJGZBZJBSVTGHS-NPQIQWPPSA-N 0 3 289.335 1.818 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CC=CC3)C2)nc1 ZINC000266226412 285130274 /nfs/dbraw/zinc/13/02/74/285130274.db2.gz IMYFHYWYHKXMBQ-LBPRGKRZSA-N 0 3 260.297 1.440 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCC[C@H](N3CCCC3)C2)nc1 ZINC000302090544 285173419 /nfs/dbraw/zinc/17/34/19/285173419.db2.gz GQQAQZLBGBCKBL-NSHDSACASA-N 0 3 277.328 1.449 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000186873955 390144569 /nfs/dbraw/zinc/14/45/69/390144569.db2.gz LTADVVNXZNBPPC-FZMZJTMJSA-N 0 3 280.324 1.676 20 5 CDBDHN CC(C)N1CC[C@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000452112962 391050791 /nfs/dbraw/zinc/05/07/91/391050791.db2.gz HPFZEDRRASCPLO-NSHDSACASA-N 0 3 281.360 1.243 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@]2(CCN(C)C2)C1 ZINC000520310418 391262581 /nfs/dbraw/zinc/26/25/81/391262581.db2.gz IQBFPEGBPKXYFH-CQSZACIVSA-N 0 3 293.371 1.652 20 5 CDBDHN Cc1nc(N2CC[C@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292254654 391544512 /nfs/dbraw/zinc/54/45/12/391544512.db2.gz KIBCGKLPFICCGL-AWEZNQCLSA-N 0 3 276.340 1.830 20 5 CDBDHN C[C@H](O)CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190813735 130149663 /nfs/dbraw/zinc/14/96/63/130149663.db2.gz ZJRBNPCTAYTSRZ-RYUDHWBXSA-N 0 3 298.339 1.037 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190904123 130159069 /nfs/dbraw/zinc/15/90/69/130159069.db2.gz BVGWHCLFODJPOA-NEPJUHHUSA-N 0 3 280.324 1.534 20 5 CDBDHN CC[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])N(C)C ZINC000153397433 392223133 /nfs/dbraw/zinc/22/31/33/392223133.db2.gz HEZNGIYVGGCTAX-LLVKDONJSA-N 0 3 265.313 1.551 20 5 CDBDHN O=C1C[C@@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CN1 ZINC000595403079 392565742 /nfs/dbraw/zinc/56/57/42/392565742.db2.gz AXQGOSIDYDENOR-GFCCVEGCSA-N 0 3 289.335 1.695 20 5 CDBDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000419832649 392897634 /nfs/dbraw/zinc/89/76/34/392897634.db2.gz VOYFAKSLWDDUGI-OCCSQVGLSA-N 0 3 282.340 1.515 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N2CCN[C@H](C)C2)n1 ZINC000420188067 392900323 /nfs/dbraw/zinc/90/03/23/392900323.db2.gz FAMFGKZOYXTEFN-SNVBAGLBSA-N 0 3 250.302 1.405 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228105608 140191262 /nfs/dbraw/zinc/19/12/62/140191262.db2.gz BSNAVDTYGMAOFZ-ZKYQVNSYSA-N 0 3 262.309 1.798 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CNCCO2)c(Cl)c1 ZINC000236051775 140238896 /nfs/dbraw/zinc/23/88/96/140238896.db2.gz YRQYJZPANNDPHD-QMMMGPOBSA-N 0 3 272.692 1.044 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000311757908 149217839 /nfs/dbraw/zinc/21/78/39/149217839.db2.gz HUUBYOYMFAKDTG-MRVPVSSYSA-N 0 3 269.276 1.414 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000346127259 153061894 /nfs/dbraw/zinc/06/18/94/153061894.db2.gz CHXAJPOHHZNHJU-VIFPVBQESA-N 0 3 283.303 1.343 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000346165829 153079927 /nfs/dbraw/zinc/07/99/27/153079927.db2.gz RFHKKBANJNFYEE-LLVKDONJSA-N 0 3 295.339 1.430 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCC(C)CC1 ZINC000346420527 153178670 /nfs/dbraw/zinc/17/86/70/153178670.db2.gz RYQQFNHSOHJRBB-NSHDSACASA-N 0 3 294.355 1.773 20 5 CDBDHN CC(C)[C@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000359813470 158386624 /nfs/dbraw/zinc/38/66/24/158386624.db2.gz RUPNFHBRXFWOGZ-NSHDSACASA-N 0 3 281.312 1.140 20 5 CDBDHN CNC(=O)C(C)(C)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285123770 196202339 /nfs/dbraw/zinc/20/23/39/196202339.db2.gz LEKAALMXLZPWIJ-SECBINFHSA-N 0 3 294.355 1.600 20 5 CDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285763421 196390961 /nfs/dbraw/zinc/39/09/61/196390961.db2.gz ZNWXIIDSJIDNKF-SNVBAGLBSA-N 0 3 295.343 1.312 20 5 CDBDHN Cc1nn(C)c(NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000044538003 175199447 /nfs/dbraw/zinc/19/94/47/175199447.db2.gz FZFVNUKSHMITDE-SNVBAGLBSA-N 0 3 267.333 1.390 20 5 CDBDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000044537660 175200086 /nfs/dbraw/zinc/20/00/86/175200086.db2.gz XFTBPQVVPKVWTH-SNVBAGLBSA-N 0 3 250.302 1.744 20 5 CDBDHN CN1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000044563214 175206592 /nfs/dbraw/zinc/20/65/92/175206592.db2.gz SFPKKCXVOJBRQG-VIFPVBQESA-N 0 3 251.290 1.281 20 5 CDBDHN COC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071268690 176102461 /nfs/dbraw/zinc/10/24/61/176102461.db2.gz AQPCFTVDEYHOHU-CABZTGNLSA-N 0 3 254.286 1.253 20 5 CDBDHN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](C)CN1 ZINC000261628827 274371484 /nfs/dbraw/zinc/37/14/84/274371484.db2.gz AYUWNWLVOHCFRZ-HTQZYQBOSA-N 0 3 293.352 1.786 20 5 CDBDHN CS[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270412882 277524848 /nfs/dbraw/zinc/52/48/48/277524848.db2.gz XYCDGCVVNLMQMT-GHMZBOCLSA-N 0 3 282.369 1.472 20 5 CDBDHN COc1cc(N2CCN[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000227856407 277826333 /nfs/dbraw/zinc/82/63/33/277826333.db2.gz XSYNOWAJCFZTNO-QMMMGPOBSA-N 0 3 269.276 1.541 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000288172412 278238122 /nfs/dbraw/zinc/23/81/22/278238122.db2.gz WTYNKVBDVAPFOW-NSHDSACASA-N 0 3 294.355 1.387 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)n1 ZINC000124231636 281013675 /nfs/dbraw/zinc/01/36/75/281013675.db2.gz DBZKUIUKPQNULU-LBPRGKRZSA-N 0 3 276.340 1.973 20 5 CDBDHN COCCN(C)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572179376 294574390 /nfs/dbraw/zinc/57/43/90/294574390.db2.gz SJAGDYZVJNWFNZ-AWEZNQCLSA-N 0 3 293.367 1.750 20 5 CDBDHN CC[C@@H](NCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000037010561 522836226 /nfs/dbraw/zinc/83/62/26/522836226.db2.gz JWVYCNSGRHESKX-CYBMUJFWSA-N 0 3 268.313 1.644 20 5 CDBDHN CN(CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CC1 ZINC000058858374 522862188 /nfs/dbraw/zinc/86/21/88/522862188.db2.gz DQJRZMOIIHOVPB-UHFFFAOYSA-N 0 3 296.302 1.140 20 5 CDBDHN Cc1ccc(CNCCC[S@](C)=O)cc1[N+](=O)[O-] ZINC000116918367 524575532 /nfs/dbraw/zinc/57/55/32/524575532.db2.gz YBVDTGVJJRKNQJ-GOSISDBHSA-N 0 3 270.354 1.761 20 5 CDBDHN CCN(C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192568476 527800666 /nfs/dbraw/zinc/80/06/66/527800666.db2.gz ZVIFSKDJAMGSCL-UHFFFAOYSA-N 0 3 281.312 1.285 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000759876585 576440441 /nfs/dbraw/zinc/44/04/41/576440441.db2.gz MCIGHZHENBCFNX-CYBMUJFWSA-N 0 3 280.324 1.475 20 5 CDBDHN CN(CCN(C)C1CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770685269 575486771 /nfs/dbraw/zinc/48/67/71/575486771.db2.gz PGDNJEVOQNEXNF-OAHLLOKOSA-N 0 3 293.367 1.654 20 5 CDBDHN CCN(CC)CCOC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000772063822 575657474 /nfs/dbraw/zinc/65/74/74/575657474.db2.gz KDLCKCPNWBSDTM-UHFFFAOYSA-N 0 3 284.316 1.066 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CCO)c2cccs2)c1 ZINC000754381675 576894308 /nfs/dbraw/zinc/89/43/08/576894308.db2.gz DNLSPULXOKOABG-NSHDSACASA-N 0 3 296.352 1.566 20 5 CDBDHN CCN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749694342 576958379 /nfs/dbraw/zinc/95/83/79/576958379.db2.gz VYDGFMHPHFPFGG-WFASDCNBSA-N 0 3 293.367 1.654 20 5 CDBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1[N+](=O)[O-] ZINC000813112703 617347180 /nfs/dbraw/zinc/34/71/80/617347180.db2.gz TYQDUEVKVDOWPR-SSDOTTSWSA-N 0 3 284.224 1.425 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCCOCC2)c1[N+](=O)[O-] ZINC000893311039 617551978 /nfs/dbraw/zinc/55/19/78/617551978.db2.gz WRXRGSHMSLTTAY-LLVKDONJSA-N 0 3 296.323 1.968 20 5 CDBDHN COc1c(O)ccc(CNC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000892679600 617585401 /nfs/dbraw/zinc/58/54/01/617585401.db2.gz RKVYIUSGKMGQIS-NSHDSACASA-N 0 3 296.323 1.968 20 5 CDBDHN CN1C[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893934242 618192589 /nfs/dbraw/zinc/19/25/89/618192589.db2.gz GGYZTUAISVYMBH-TVQRCGJNSA-N 0 3 265.288 1.874 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CNCCO1 ZINC000841099849 618682255 /nfs/dbraw/zinc/68/22/55/618682255.db2.gz ZLZJYFSNACUTFK-NSHDSACASA-N 0 3 285.731 1.326 20 5 CDBDHN O=C(CCC(F)(F)F)N1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905258504 626709247 /nfs/dbraw/zinc/70/92/47/626709247.db2.gz XIPZCYZKBCDTKG-SECBINFHSA-N 0 3 297.277 1.186 20 5 CDBDHN Cc1cc(C(F)(F)F)nn1CCNCC[N+](=O)[O-] ZINC000905508035 626833616 /nfs/dbraw/zinc/83/36/16/626833616.db2.gz FAZDERHCFWDSKJ-UHFFFAOYSA-N 0 3 266.223 1.077 20 5 CDBDHN CC[C@@H](CO)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000915875621 631849726 /nfs/dbraw/zinc/84/97/26/631849726.db2.gz ULHKWQMQOFALRK-ZJUUUORDSA-N 0 3 281.312 1.282 20 5 CDBDHN COc1ccc(C[C@H](C)N2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC001170328317 1162338460 /nfs/dbraw/zinc/33/84/60/1162338460.db2.gz JRTKUNZJEUHSDM-NSHDSACASA-N 0 3 294.351 1.991 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170567125 1162942094 /nfs/dbraw/zinc/94/20/94/1162942094.db2.gz JFOGXYWSHFXPQM-JQWIXIFHSA-N 0 3 265.313 1.692 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H]1CNCCO1 ZINC001170567124 1162941953 /nfs/dbraw/zinc/94/19/53/1162941953.db2.gz JFOGXYWSHFXPQM-CMPLNLGQSA-N 0 3 265.313 1.692 20 5 CDBDHN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2c1)[C@H]1CNCCO1 ZINC001170571769 1162966314 /nfs/dbraw/zinc/96/63/14/1162966314.db2.gz ZRFQZGXLRUMPCP-MWLCHTKSSA-N 0 3 291.311 1.031 20 5 CDBDHN C[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CC1 ZINC001609277135 1164877100 /nfs/dbraw/zinc/87/71/00/1164877100.db2.gz HNCCCPLJEANKHP-UHFFFAOYSA-N 0 3 288.311 1.617 20 5 CDBDHN C[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])CC1CC1 ZINC001609277135 1164877102 /nfs/dbraw/zinc/87/71/02/1164877102.db2.gz HNCCCPLJEANKHP-UHFFFAOYSA-N 0 3 288.311 1.617 20 5 CDBDHN CN(C)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000828775411 697700796 /nfs/dbraw/zinc/70/07/96/697700796.db2.gz XOURFGGVQFMZKO-UHFFFAOYSA-N 0 3 271.361 1.375 20 5 CDBDHN COC(=O)N(C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850548630 698245579 /nfs/dbraw/zinc/24/55/79/698245579.db2.gz WRHRQQZKWBLFLU-SECBINFHSA-N 0 3 296.327 1.526 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](CCO)C2)cc1 ZINC000776581915 698333082 /nfs/dbraw/zinc/33/30/82/698333082.db2.gz IZAGULXSLXADLU-DOMZBBRYSA-N 0 3 294.351 1.723 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](CO)C1CC1 ZINC000851933247 698535851 /nfs/dbraw/zinc/53/58/51/698535851.db2.gz PIXAAPMXEAENOM-LLVKDONJSA-N 0 3 254.261 1.594 20 5 CDBDHN Cc1ncsc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000842364394 698549485 /nfs/dbraw/zinc/54/94/85/698549485.db2.gz VYTGNGMOECQNTJ-ZETCQYMHSA-N 0 3 258.299 1.593 20 5 CDBDHN O=[N+]([O-])c1ncccc1CNC1(CO)CCCCC1 ZINC000886076210 704810653 /nfs/dbraw/zinc/81/06/53/704810653.db2.gz LSQMVSSZBVFLCO-UHFFFAOYSA-N 0 3 265.313 1.775 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](CF)C1 ZINC000880296850 704883643 /nfs/dbraw/zinc/88/36/43/704883643.db2.gz HSZGGODLBMEQBQ-SNVBAGLBSA-N 0 3 269.276 1.048 20 5 CDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1-n1cncn1 ZINC000813112204 705162548 /nfs/dbraw/zinc/16/25/48/705162548.db2.gz NRTSNAQSLGQJHX-JTQLQIEISA-N 0 3 290.279 1.398 20 5 CDBDHN C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572502 848111354 /nfs/dbraw/zinc/11/13/54/848111354.db2.gz FIQMDIZJOCFEST-WCBMZHEXSA-N 0 3 278.312 1.058 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](O)CC2)cc1 ZINC000815296934 848498889 /nfs/dbraw/zinc/49/88/89/848498889.db2.gz INKFRDKHEFWGNC-KGLIPLIRSA-N 0 3 280.324 1.475 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CC2)cc1F ZINC000801539191 849295574 /nfs/dbraw/zinc/29/55/74/849295574.db2.gz CQVXGMUBRIFJMJ-LLVKDONJSA-N 0 3 254.261 1.594 20 5 CDBDHN COc1cccc([C@H](OC)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000851036204 849357311 /nfs/dbraw/zinc/35/73/11/849357311.db2.gz GKHJLPMAAHEQSS-SKDRFNHKSA-N 0 3 283.280 1.591 20 5 CDBDHN COc1ccc(CNCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000922939697 849473010 /nfs/dbraw/zinc/47/30/10/849473010.db2.gz RZRQLOLNGWIZPP-LBPRGKRZSA-N 0 3 296.323 1.499 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](CF)C1 ZINC000880296848 849683961 /nfs/dbraw/zinc/68/39/61/849683961.db2.gz HSZGGODLBMEQBQ-JTQLQIEISA-N 0 3 269.276 1.048 20 5 CDBDHN COC(=O)CC1(NCc2cccnc2[N+](=O)[O-])CCCC1 ZINC000886181043 849767581 /nfs/dbraw/zinc/76/75/81/849767581.db2.gz CQPHCQZSSUFLGN-UHFFFAOYSA-N 0 3 293.323 1.955 20 5 CDBDHN CC(COC(=O)C1(C(=O)OC(C)(C)C)CC=CC1)[N+](=O)[O-] ZINC000851036788 849854252 /nfs/dbraw/zinc/85/42/52/849854252.db2.gz NEKYZTJAMVMINP-SNVBAGLBSA-N 0 3 299.323 1.873 20 5 CDBDHN CC(=O)Nc1ccc(N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001167278782 895032889 /nfs/dbraw/zinc/03/28/89/895032889.db2.gz RUHMJSFVWVXJDM-NSHDSACASA-N 0 3 278.312 1.669 20 5 CDBDHN CC[C@](N)(CO)N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904301 912039535 /nfs/dbraw/zinc/03/95/35/912039535.db2.gz WURFJKGUFHUHFN-DZGCQCFKSA-N 0 3 293.367 1.489 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ncc(F)cc2F)C1 ZINC001168977489 927563544 /nfs/dbraw/zinc/56/35/44/927563544.db2.gz KFTFTTXLUKKOHE-WPRPVWTQSA-N 0 3 271.267 1.895 20 5 CDBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056332 927673261 /nfs/dbraw/zinc/67/32/61/927673261.db2.gz RVJXZZXNDGCNCA-NJMOYASZSA-N 0 3 282.340 1.458 20 5 CDBDHN NCc1ccc2c(n1)N(c1ccc([N+](=O)[O-])cn1)CCC2 ZINC001169585287 928237157 /nfs/dbraw/zinc/23/71/57/928237157.db2.gz VKFYIHKULYSGDP-UHFFFAOYSA-N 0 3 285.307 1.928 20 5 CDBDHN NCc1ccnn1-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001155124384 937638337 /nfs/dbraw/zinc/63/83/37/937638337.db2.gz VSXUTELJFYMBMZ-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN Cn1c(CCNCC[N+](=O)[O-])nc2cc(F)ccc21 ZINC001120582325 937813179 /nfs/dbraw/zinc/81/31/79/937813179.db2.gz PDXVLFAQGOLQIO-UHFFFAOYSA-N 0 3 266.276 1.121 20 5 CDBDHN NCc1nn(-c2cc(N)c([N+](=O)[O-])cn2)c2ccccc12 ZINC001156860947 938426931 /nfs/dbraw/zinc/42/69/31/938426931.db2.gz WEFQVAMWLWFZOX-UHFFFAOYSA-N 0 3 284.279 1.370 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001157259875 938469935 /nfs/dbraw/zinc/46/99/35/938469935.db2.gz GQOAMDGACZCCCQ-DGCLKSJQSA-N 0 3 276.340 1.829 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@]23CNCCO3)nc1 ZINC001163643092 939296828 /nfs/dbraw/zinc/29/68/28/939296828.db2.gz HQMZKZMJEJOEDM-GXTWGEPZSA-N 0 3 292.339 1.703 20 5 CDBDHN Cc1nccn1CCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001163924668 939353960 /nfs/dbraw/zinc/35/39/60/939353960.db2.gz ZRCGCOIEVDGEHL-UHFFFAOYSA-N 0 3 287.323 1.815 20 5 CDBDHN Cc1cc(CN)nn1-c1ncc(F)c(C)c1[N+](=O)[O-] ZINC001163979537 939368551 /nfs/dbraw/zinc/36/85/51/939368551.db2.gz BJZAOIBAXCAXRW-UHFFFAOYSA-N 0 3 265.248 1.390 20 5 CDBDHN O=[N+]([O-])c1cc(-n2cnc3c2CNCC3)nc2[nH]ccc21 ZINC001164317058 939453327 /nfs/dbraw/zinc/45/33/27/939453327.db2.gz VQHDVJDHCJCUOT-UHFFFAOYSA-N 0 3 284.279 1.303 20 5 CDBDHN CN(C)C1(C)CN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001165116516 939511778 /nfs/dbraw/zinc/51/17/78/939511778.db2.gz FXVYBYBQEMVFDP-UHFFFAOYSA-N 0 3 254.265 1.269 20 5 CDBDHN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCN(C)C1 ZINC001222772494 941632900 /nfs/dbraw/zinc/63/29/00/941632900.db2.gz CZTJODDIEFLMOH-JTQLQIEISA-N 0 3 294.307 1.602 20 5 CDBDHN CCN1CC[C@@H](Oc2ncc(C)cc2[N+](=O)[O-])C1 ZINC001227234549 942153939 /nfs/dbraw/zinc/15/39/39/942153939.db2.gz HAILLMYSHJXVBK-SNVBAGLBSA-N 0 3 251.286 1.771 20 5 CDBDHN COCCN1CCC(Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228883161 942387870 /nfs/dbraw/zinc/38/78/70/942387870.db2.gz UEAUUPDFQBLZLF-UHFFFAOYSA-N 0 3 281.312 1.479 20 5 CDBDHN C[NH+](C)CCO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001331185706 943536610 /nfs/dbraw/zinc/53/66/10/943536610.db2.gz VMRPUUTUKLBJAF-UHFFFAOYSA-N 0 3 281.312 1.137 20 5 CDBDHN CSCC[C@@H](N)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001263329342 943833285 /nfs/dbraw/zinc/83/32/85/943833285.db2.gz CVHRJQRBHJJTMZ-LLVKDONJSA-N 0 3 283.353 1.922 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1 ZINC001254532385 947508403 /nfs/dbraw/zinc/50/84/03/947508403.db2.gz NSGLVBAXRDCHLZ-JQWIXIFHSA-N 0 3 298.364 1.303 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cnn(C)c1C ZINC001330672886 956556179 /nfs/dbraw/zinc/55/61/79/956556179.db2.gz QYOUPOFNARKWBD-VIFPVBQESA-N 0 3 292.343 1.492 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1NCCN1CCC(C)CC1 ZINC001320899378 959450515 /nfs/dbraw/zinc/45/05/15/959450515.db2.gz XJTMHMHBFZLAEI-UHFFFAOYSA-N 0 3 278.356 1.864 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC(CO)CC2)c1 ZINC000046090588 342049665 /nfs/dbraw/zinc/04/96/65/342049665.db2.gz NDIOPJMMVOUZNK-UHFFFAOYSA-N 0 3 280.324 1.678 20 5 CDBDHN C[C@H]1CCN[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000127121714 342066712 /nfs/dbraw/zinc/06/67/12/342066712.db2.gz DBDPIQLGRZTXNQ-GXFFZTMASA-N 0 3 277.324 1.599 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1cccnc1[N+](=O)[O-] ZINC000591464155 342631263 /nfs/dbraw/zinc/63/12/63/342631263.db2.gz BZSCINMDDSZELM-JTQLQIEISA-N 0 3 250.302 1.520 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000592245337 342681017 /nfs/dbraw/zinc/68/10/17/342681017.db2.gz GUEHAXAAUFGADE-CYBMUJFWSA-N 0 3 291.351 1.973 20 5 CDBDHN CC1(C)CN[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000592012803 342661794 /nfs/dbraw/zinc/66/17/94/342661794.db2.gz HLDOTCJOILEUSF-LBPRGKRZSA-N 0 3 292.339 1.121 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC(CO)CC2)cc1 ZINC000065534605 342168419 /nfs/dbraw/zinc/16/84/19/342168419.db2.gz SSYWNMKLUMZWMH-UHFFFAOYSA-N 0 3 280.324 1.678 20 5 CDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138255464 361979525 /nfs/dbraw/zinc/97/95/25/361979525.db2.gz HHXRERKSLXBXAN-NXEZZACHSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000138255569 361980423 /nfs/dbraw/zinc/98/04/23/361980423.db2.gz HHXRERKSLXBXAN-VHSXEESVSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@H](NCc1csc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000594970256 342991776 /nfs/dbraw/zinc/99/17/76/342991776.db2.gz WQQCDBLIEDYVKV-MRVPVSSYSA-N 0 3 256.327 1.907 20 5 CDBDHN Cc1cc(N2CC[C@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074746776 342303728 /nfs/dbraw/zinc/30/37/28/342303728.db2.gz XJOLLILSOIMAIE-LBPRGKRZSA-N 0 3 276.340 1.973 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(O)CCOC1 ZINC000595036580 342998024 /nfs/dbraw/zinc/99/80/24/342998024.db2.gz SFQITFSYCDYJSS-HZMBPMFUSA-N 0 3 296.323 1.405 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000619522856 349788744 /nfs/dbraw/zinc/78/87/44/349788744.db2.gz KNELVCFCBSGFQW-SNVBAGLBSA-N 0 3 280.328 1.147 20 5 CDBDHN COc1ccc(NC(=O)[C@@H](N)CC(F)F)cc1[N+](=O)[O-] ZINC000312465636 362053450 /nfs/dbraw/zinc/05/34/50/362053450.db2.gz LOZADPLJAKQBEB-ZETCQYMHSA-N 0 3 289.238 1.524 20 5 CDBDHN C[NH+](C)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596103760 343228105 /nfs/dbraw/zinc/22/81/05/343228105.db2.gz FLYVIRDLCZAFQF-VIFPVBQESA-N 0 3 266.301 1.226 20 5 CDBDHN CN(C)CCN(C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596151625 343245784 /nfs/dbraw/zinc/24/57/84/343245784.db2.gz ILKWAYRPANKQHP-UHFFFAOYSA-N 0 3 258.709 1.641 20 5 CDBDHN Cc1c([C@@H](C)NC[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000090848497 342397612 /nfs/dbraw/zinc/39/76/12/342397612.db2.gz GZUMDJTWDBLLTP-BXUZGUMPSA-N 0 3 280.324 1.705 20 5 CDBDHN Cc1ccc(CNC2([C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234650 343489996 /nfs/dbraw/zinc/48/99/96/343489996.db2.gz MTNYDPJYGGIBDF-JTQLQIEISA-N 0 3 250.298 1.906 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601645196 344211564 /nfs/dbraw/zinc/21/15/64/344211564.db2.gz UYKAGYYZLZHQGC-JTQLQIEISA-N 0 3 295.314 1.900 20 5 CDBDHN COC[C@](C)(CO)NCc1cccc([N+](=O)[O-])c1C ZINC000602014754 344313901 /nfs/dbraw/zinc/31/39/01/344313901.db2.gz WIRUKCSDTLOPNI-ZDUSSCGKSA-N 0 3 268.313 1.390 20 5 CDBDHN CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602431665 344423783 /nfs/dbraw/zinc/42/37/83/344423783.db2.gz IZMGVMQQLQPQNY-SMDDNHRTSA-N 0 3 293.323 1.609 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1c(F)cccc1[N+](=O)[O-] ZINC000602491518 344450742 /nfs/dbraw/zinc/45/07/42/344450742.db2.gz NWQBKGLVAYGPQG-YUMQZZPRSA-N 0 3 285.250 1.164 20 5 CDBDHN COCCN(CCc1ccc([N+](=O)[O-])cc1)CCN(C)C ZINC000602656730 344518226 /nfs/dbraw/zinc/51/82/26/344518226.db2.gz LZIOETCXBNKDJO-UHFFFAOYSA-N 0 3 295.383 1.647 20 5 CDBDHN COCC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602783942 344598415 /nfs/dbraw/zinc/59/84/15/344598415.db2.gz FGNJYKMKMFPASH-UHFFFAOYSA-N 0 3 282.344 1.458 20 5 CDBDHN Cc1cnc(NC[C@@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603420388 344799866 /nfs/dbraw/zinc/79/98/66/344799866.db2.gz UHHVUKGMIGAZNK-SECBINFHSA-N 0 3 268.342 1.415 20 5 CDBDHN O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CSCCN1 ZINC000603417764 344807824 /nfs/dbraw/zinc/80/78/24/344807824.db2.gz AGRXQIIEWOFXLZ-SSDOTTSWSA-N 0 3 288.760 1.182 20 5 CDBDHN CCN(CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000344204930 362555283 /nfs/dbraw/zinc/55/52/83/362555283.db2.gz BOQFAHHSBDEAOL-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN NC(=O)c1ccc(CN2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152837837 347622217 /nfs/dbraw/zinc/62/22/17/347622217.db2.gz NOLQJIRJLQMGNY-TXEJJXNPSA-N 0 3 289.335 1.926 20 5 CDBDHN C[C@H]1CNCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000054375096 347821580 /nfs/dbraw/zinc/82/15/80/347821580.db2.gz ONCSBVMOJCZIIB-JTQLQIEISA-N 0 3 272.308 1.941 20 5 CDBDHN C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000090794952 348157071 /nfs/dbraw/zinc/15/70/71/348157071.db2.gz DNLUGODZACHQSO-RKDXNWHRSA-N 0 3 253.306 1.223 20 5 CDBDHN C[C@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293676154 362916297 /nfs/dbraw/zinc/91/62/97/362916297.db2.gz JZXZOMKVOFNVOY-WCQGTBRESA-N 0 3 295.339 1.368 20 5 CDBDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000129321505 187423770 /nfs/dbraw/zinc/42/37/70/187423770.db2.gz LCYAPIWBBHCGMJ-NWDGAFQWSA-N 0 3 250.298 1.844 20 5 CDBDHN C[C@@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105821518 186073931 /nfs/dbraw/zinc/07/39/31/186073931.db2.gz GUWJGRATUCMPAO-QWHCGFSZSA-N 0 3 293.367 1.482 20 5 CDBDHN CC[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1OC ZINC000124751108 351370205 /nfs/dbraw/zinc/37/02/05/351370205.db2.gz RGSSXGNRLXPZSA-LLVKDONJSA-N 0 3 254.286 1.464 20 5 CDBDHN CNC(=O)CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000154893314 188168398 /nfs/dbraw/zinc/16/83/98/188168398.db2.gz IHHKLKTVMSRVTN-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157305711 188309195 /nfs/dbraw/zinc/30/91/95/188309195.db2.gz RNQRBSJJUFHTPO-JTQLQIEISA-N 0 3 292.339 1.391 20 5 CDBDHN COC[C@H](CCO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219224063 356239531 /nfs/dbraw/zinc/23/95/31/356239531.db2.gz CANOSDVNWXQDPK-PWSUYJOCSA-N 0 3 268.313 1.643 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000106379910 357242494 /nfs/dbraw/zinc/24/24/94/357242494.db2.gz NQIDTVLTRJBLSS-HNNXBMFYSA-N 0 3 291.351 1.548 20 5 CDBDHN CN(CCCN1CCN(C)CC1)c1ncccc1[N+](=O)[O-] ZINC000264602092 357442470 /nfs/dbraw/zinc/44/24/70/357442470.db2.gz BZGJJLXNJGXEJK-UHFFFAOYSA-N 0 3 293.371 1.064 20 5 CDBDHN CCc1n[nH]c(C(=O)NC[C@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000264559729 357379278 /nfs/dbraw/zinc/37/92/78/357379278.db2.gz NCDHLMVINOROGH-SECBINFHSA-N 0 3 295.343 1.094 20 5 CDBDHN CCc1nn(C)c(N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000360915148 357742653 /nfs/dbraw/zinc/74/26/53/357742653.db2.gz VNDCMOLFFGJDCA-UHFFFAOYSA-N 0 3 281.360 1.423 20 5 CDBDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294450984 199044225 /nfs/dbraw/zinc/04/42/25/199044225.db2.gz VQKGRJWQECOOFR-BLBZPCKPSA-N 0 3 285.369 1.595 20 5 CDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000287228196 358342336 /nfs/dbraw/zinc/34/23/36/358342336.db2.gz QOHMGUOTRRSVFY-ZJUUUORDSA-N 0 3 293.327 1.017 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCCN1C1CC1 ZINC000433812946 358844809 /nfs/dbraw/zinc/84/48/09/358844809.db2.gz XTLYDUFCQFWDRE-NSHDSACASA-N 0 3 279.344 1.757 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](O)C1 ZINC000265072181 359095427 /nfs/dbraw/zinc/09/54/27/359095427.db2.gz WWXBNGOHZQIDFL-GFCCVEGCSA-N 0 3 293.323 1.298 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H]2CO)cc1 ZINC000050116734 359309358 /nfs/dbraw/zinc/30/93/58/359309358.db2.gz AYPAKLVJPGEDHS-ZDUSSCGKSA-N 0 3 250.298 1.594 20 5 CDBDHN CC[C@H](CNCc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000289675860 359664575 /nfs/dbraw/zinc/66/45/75/359664575.db2.gz CCVHIASWARDNIS-SNVBAGLBSA-N 0 3 284.312 1.824 20 5 CDBDHN Cc1cc(NC[C@@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358356438 360976839 /nfs/dbraw/zinc/97/68/39/360976839.db2.gz REYWWDIGBCRWRL-ZDUSSCGKSA-N 0 3 265.313 1.382 20 5 CDBDHN CN1CC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000582504432 364101676 /nfs/dbraw/zinc/10/16/76/364101676.db2.gz DNXICWKIBQSRIG-ZDUSSCGKSA-N 0 3 278.312 1.091 20 5 CDBDHN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000175410609 364405624 /nfs/dbraw/zinc/40/56/24/364405624.db2.gz POLAEDLUNZDUPA-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN CCOC(=O)c1cc(N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000268178632 364423045 /nfs/dbraw/zinc/42/30/45/364423045.db2.gz KSHGMYDVXWLFLH-UHFFFAOYSA-N 0 3 295.339 1.769 20 5 CDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@@H]2C1 ZINC000272437751 365237991 /nfs/dbraw/zinc/23/79/91/365237991.db2.gz IFVOUKAZDJMLSK-GXSJLCMTSA-N 0 3 278.312 1.089 20 5 CDBDHN CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000272557684 367768568 /nfs/dbraw/zinc/76/85/68/367768568.db2.gz ZNIPJUPTTJBYAQ-UHFFFAOYSA-N 0 3 292.339 1.343 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000330582631 203000558 /nfs/dbraw/zinc/00/05/58/203000558.db2.gz KAZKGVDRCMWGIR-STQMWFEESA-N 0 3 293.367 1.998 20 5 CDBDHN C[C@@]1(F)CNCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420323791 244084938 /nfs/dbraw/zinc/08/49/38/244084938.db2.gz BLYHXTOXEBLCCY-CQSZACIVSA-N 0 3 297.330 1.607 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330906798 203378314 /nfs/dbraw/zinc/37/83/14/203378314.db2.gz NOGQNNIYBHVNRB-ZYHUDNBSSA-N 0 3 277.324 1.807 20 5 CDBDHN NC(=O)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000367992585 371297921 /nfs/dbraw/zinc/29/79/21/371297921.db2.gz DNKTWYYRIWBADL-LLVKDONJSA-N 0 3 263.297 1.292 20 5 CDBDHN CN(CCNc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000058938205 372828256 /nfs/dbraw/zinc/82/82/56/372828256.db2.gz PEUNDMKAFITUBV-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](CCO)C1 ZINC000051916396 374043468 /nfs/dbraw/zinc/04/34/68/374043468.db2.gz SFMZGTAFPVHWTF-GFCCVEGCSA-N 0 3 282.344 1.194 20 5 CDBDHN COC(=O)[C@H](C)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065223061 374257535 /nfs/dbraw/zinc/25/75/35/374257535.db2.gz RONDMWFAZMJOSW-LLVKDONJSA-N 0 3 296.323 1.715 20 5 CDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421776269 374332997 /nfs/dbraw/zinc/33/29/97/374332997.db2.gz ZTMZCYPGNBWVAX-UHFFFAOYSA-N 0 3 279.340 1.893 20 5 CDBDHN CN1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000078968798 374365892 /nfs/dbraw/zinc/36/58/92/374365892.db2.gz HLIJBVAGCLWBFN-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CO)[C@@H]2CCCO2)c1 ZINC000447904369 374722301 /nfs/dbraw/zinc/72/23/01/374722301.db2.gz JWNHACYRUCMUPE-KBPBESRZSA-N 0 3 296.323 1.103 20 5 CDBDHN COC(=O)C(C)(C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000093715701 374779560 /nfs/dbraw/zinc/77/95/60/374779560.db2.gz UYZNCGVUDWNAQY-UHFFFAOYSA-N 0 3 266.297 1.884 20 5 CDBDHN C[C@]1(C(N)=O)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280490638 374998951 /nfs/dbraw/zinc/99/89/51/374998951.db2.gz BFUZUXZLXALRMR-AWEZNQCLSA-N 0 3 293.323 1.171 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCN1CCOCC1 ZINC000282379676 375082690 /nfs/dbraw/zinc/08/26/90/375082690.db2.gz FWFDEGOPIRHWKZ-UHFFFAOYSA-N 0 3 293.367 1.401 20 5 CDBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283005991 375108591 /nfs/dbraw/zinc/10/85/91/375108591.db2.gz FZXFQZMFHGSYLR-PWSUYJOCSA-N 0 3 295.314 1.868 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCN2CC=CCC2)cc1 ZINC000392298555 375049784 /nfs/dbraw/zinc/04/97/84/375049784.db2.gz XRIALKFWSHEUKG-UHFFFAOYSA-N 0 3 261.325 1.946 20 5 CDBDHN CCN1CC[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493331044 375444299 /nfs/dbraw/zinc/44/42/99/375444299.db2.gz FZYBADACXRTDNA-KTRBRXNASA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@H]1CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000132328006 375454520 /nfs/dbraw/zinc/45/45/20/375454520.db2.gz AWUZRNJQCRRSEM-JTQLQIEISA-N 0 3 251.286 1.241 20 5 CDBDHN C[C@@H](O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162832389 375529196 /nfs/dbraw/zinc/52/91/96/375529196.db2.gz PKNWJLLCEFBBAW-PWSUYJOCSA-N 0 3 250.298 1.798 20 5 CDBDHN Cc1c([C@H](C)N[C@@H]2CCC(=O)NC2)cccc1[N+](=O)[O-] ZINC000358132852 375953146 /nfs/dbraw/zinc/95/31/46/375953146.db2.gz OWPYFGKBHSKAEB-WDEREUQCSA-N 0 3 277.324 1.832 20 5 CDBDHN CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267087139 377051430 /nfs/dbraw/zinc/05/14/30/377051430.db2.gz OULJNRRLDWBOHE-UHFFFAOYSA-N 0 3 252.318 1.913 20 5 CDBDHN C[C@H](NCCN1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173415410 378355727 /nfs/dbraw/zinc/35/57/27/378355727.db2.gz MYSMLNJEUXMIBR-JTQLQIEISA-N 0 3 291.307 1.394 20 5 CDBDHN CCN(CCNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000173504583 378493931 /nfs/dbraw/zinc/49/39/31/378493931.db2.gz ZTOSTCWOZIVPGC-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN COCC[C@@]1(NCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000447074911 250337972 /nfs/dbraw/zinc/33/79/72/250337972.db2.gz IJXBFQBMWGDDHA-CQSZACIVSA-N 0 3 280.324 1.880 20 5 CDBDHN CCOC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862670 379597036 /nfs/dbraw/zinc/59/70/36/379597036.db2.gz DOYMCMBDLLRTES-LBPRGKRZSA-N 0 3 282.344 1.540 20 5 CDBDHN COC(=O)CC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000288607671 197126120 /nfs/dbraw/zinc/12/61/20/197126120.db2.gz OUWBARWCPWFMJD-JTQLQIEISA-N 0 3 295.295 1.122 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401681 391157375 /nfs/dbraw/zinc/15/73/75/391157375.db2.gz LXGMKGUJPDINAH-FTYKPCCVSA-N 0 3 262.309 1.826 20 5 CDBDHN CC(C)N(CCN(C)C)c1ncc([N+](=O)[O-])cc1F ZINC000413242286 391185670 /nfs/dbraw/zinc/18/56/70/391185670.db2.gz XJTRETXMMAKMQL-UHFFFAOYSA-N 0 3 270.308 1.905 20 5 CDBDHN CN(C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000152149633 391488514 /nfs/dbraw/zinc/48/85/14/391488514.db2.gz UQLVHTNWFDMQLH-GFCCVEGCSA-N 0 3 295.314 1.439 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000186732938 391488536 /nfs/dbraw/zinc/48/85/36/391488536.db2.gz WTBDOCCTDMKCNA-UHFFFAOYSA-N 0 3 292.339 1.343 20 5 CDBDHN Cc1c(CN(C)C2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000190986895 130170146 /nfs/dbraw/zinc/17/01/46/130170146.db2.gz MIKNGSKSGSDDDY-UHFFFAOYSA-N 0 3 294.351 1.877 20 5 CDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181555254 391827960 /nfs/dbraw/zinc/82/79/60/391827960.db2.gz SQSYSERCYFNUMF-LLVKDONJSA-N 0 3 266.297 1.429 20 5 CDBDHN C[C@H]1NCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262758359 131258468 /nfs/dbraw/zinc/25/84/68/131258468.db2.gz HZQOJNTXCLACHV-MNOVXSKESA-N 0 3 293.323 1.182 20 5 CDBDHN C[C@H]1NCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000262786756 131261536 /nfs/dbraw/zinc/26/15/36/131261536.db2.gz MMJOEVBFHPMKSC-GHMZBOCLSA-N 0 3 277.324 1.346 20 5 CDBDHN C[C@@H]1[C@H](CO)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000488790025 392728053 /nfs/dbraw/zinc/72/80/53/392728053.db2.gz WCJIFOSCRSGLIR-NEPJUHHUSA-N 0 3 280.324 1.676 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000421699048 392942872 /nfs/dbraw/zinc/94/28/72/392942872.db2.gz ADUQNRYKSMQSPX-LLVKDONJSA-N 0 3 277.324 1.761 20 5 CDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CNCCC1(F)F ZINC000449668681 393137639 /nfs/dbraw/zinc/13/76/39/393137639.db2.gz WUQGQHUWGXQKKU-LLVKDONJSA-N 0 3 299.277 1.251 20 5 CDBDHN COc1cccc(C(=O)NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000195442040 393215477 /nfs/dbraw/zinc/21/54/77/393215477.db2.gz DBZQAUKUYCCCMR-JTQLQIEISA-N 0 3 293.323 1.285 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189119563 140108572 /nfs/dbraw/zinc/10/85/72/140108572.db2.gz BLAIBDOLCLUGFZ-AWEZNQCLSA-N 0 3 294.355 1.682 20 5 CDBDHN COCCNCCNc1ccc([N+](=O)[O-])cc1F ZINC000215506399 140162166 /nfs/dbraw/zinc/16/21/66/140162166.db2.gz HUIMSHRQDYFHPR-UHFFFAOYSA-N 0 3 257.265 1.382 20 5 CDBDHN CN(C)CCOCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000226738120 140180880 /nfs/dbraw/zinc/18/08/80/140180880.db2.gz XEMWMMVXLZQYTC-UHFFFAOYSA-N 0 3 289.282 1.863 20 5 CDBDHN Cn1ccc(CCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC000230880884 140214859 /nfs/dbraw/zinc/21/48/59/140214859.db2.gz UWADGLSOIIQLDL-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN O=[N+]([O-])c1cccc(F)c1NC[C@H]1CNCCO1 ZINC000261557954 140347632 /nfs/dbraw/zinc/34/76/32/140347632.db2.gz CXKUXZMKAYARAF-MRVPVSSYSA-N 0 3 255.249 1.134 20 5 CDBDHN CO[C@]1(C)C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286865 148033997 /nfs/dbraw/zinc/03/39/97/148033997.db2.gz LACHCSMGLCKJRI-BXUZGUMPSA-N 0 3 296.371 1.927 20 5 CDBDHN C[C@@H](NC(=O)[C@@H](N)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000312516810 149232924 /nfs/dbraw/zinc/23/29/24/149232924.db2.gz SUSGZKKKFNBRSK-XCBNKYQSSA-N 0 3 287.266 1.755 20 5 CDBDHN Cc1ccc(CNC[C@@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000353709912 156031779 /nfs/dbraw/zinc/03/17/79/156031779.db2.gz SQWBABMWSRBSQI-STQMWFEESA-N 0 3 280.324 1.533 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[C@@H](CO)O1 ZINC000353715132 156035680 /nfs/dbraw/zinc/03/56/80/156035680.db2.gz XHBZREVZCUJCEI-RYUDHWBXSA-N 0 3 266.297 1.224 20 5 CDBDHN C[C@@]1(C(N)=O)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355670263 157176474 /nfs/dbraw/zinc/17/64/74/157176474.db2.gz JMJGYAJPGSLWNG-ZDTYVGOBSA-N 0 3 289.335 1.805 20 5 CDBDHN CCCN(C)CC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000359285872 158199188 /nfs/dbraw/zinc/19/91/88/158199188.db2.gz IQBBVWUXRZOORC-UHFFFAOYSA-N 0 3 295.339 1.561 20 5 CDBDHN CN(C)C(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285317680 196249830 /nfs/dbraw/zinc/24/98/30/196249830.db2.gz MQBMHVNIRAQVHD-UHFFFAOYSA-N 0 3 279.340 1.547 20 5 CDBDHN CC(C)OC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285300637 196245731 /nfs/dbraw/zinc/24/57/31/196245731.db2.gz LDENPWLUBFDKOZ-AWEZNQCLSA-N 0 3 296.367 1.855 20 5 CDBDHN CCNC(=O)C(C)(C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000313076565 260243568 /nfs/dbraw/zinc/24/35/68/260243568.db2.gz PZZJMSRMLFRLSX-UHFFFAOYSA-N 0 3 279.340 1.642 20 5 CDBDHN CN(C)C1(CNc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000419011123 276772035 /nfs/dbraw/zinc/77/20/35/276772035.db2.gz RVYWYABQVBMIAC-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000173483623 278270089 /nfs/dbraw/zinc/27/00/89/278270089.db2.gz ICTGMEZSUPCSEI-NSHDSACASA-N 0 3 291.351 1.736 20 5 CDBDHN CN(C)CCSCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120232978 279380132 /nfs/dbraw/zinc/38/01/32/279380132.db2.gz JCVCJBULEXUXDK-UHFFFAOYSA-N 0 3 283.353 1.489 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)C1CCC1 ZINC000316569033 280630222 /nfs/dbraw/zinc/63/02/22/280630222.db2.gz LSRDNOYRWICIPD-ZDUSSCGKSA-N 0 3 250.298 1.845 20 5 CDBDHN CN(C)Cc1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000551893381 290022454 /nfs/dbraw/zinc/02/24/54/290022454.db2.gz XISUWKCDFNESJQ-UHFFFAOYSA-N 0 3 289.295 1.632 20 5 CDBDHN CCc1nn(C)c(N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000577186616 317281435 /nfs/dbraw/zinc/28/14/35/317281435.db2.gz PWMZOJPMKMIQAJ-GXSJLCMTSA-N 0 3 279.344 1.031 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000150755049 519225139 /nfs/dbraw/zinc/22/51/39/519225139.db2.gz FPWKQFVOSSGOCS-CYBMUJFWSA-N 0 3 294.355 1.496 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000139759772 523826274 /nfs/dbraw/zinc/82/62/74/523826274.db2.gz YCIYLWUGUJVYFO-GFCCVEGCSA-N 0 3 278.312 1.811 20 5 CDBDHN COCCOCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044693959 524010144 /nfs/dbraw/zinc/01/01/44/524010144.db2.gz YJYTUUSAHPTSLL-NSHDSACASA-N 0 3 268.313 1.908 20 5 CDBDHN C[C@H](NCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000020199272 525358440 /nfs/dbraw/zinc/35/84/40/525358440.db2.gz FXVKXYLAXKDYIC-JTQLQIEISA-N 0 3 254.286 1.254 20 5 CDBDHN COc1cc(CN[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000729681620 574820436 /nfs/dbraw/zinc/82/04/36/574820436.db2.gz FPRLFYHMIATBDJ-LLVKDONJSA-N 0 3 295.339 1.406 20 5 CDBDHN C[Si](C)(C)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000731211641 575038469 /nfs/dbraw/zinc/03/84/69/575038469.db2.gz RXEVGGCOLBJBAB-UHFFFAOYSA-N 0 3 294.431 1.989 20 5 CDBDHN COC(C)(C)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750095135 576975633 /nfs/dbraw/zinc/97/56/33/576975633.db2.gz UTFDKTPPAQARBQ-ZDUSSCGKSA-N 0 3 282.340 1.985 20 5 CDBDHN CC(=O)N[C@@H](CCC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000851036819 617565614 /nfs/dbraw/zinc/56/56/14/617565614.db2.gz NKKUULGZEPIVFV-ONGXEEELSA-N 0 3 274.317 1.136 20 5 CDBDHN CC(COC(=O)[C@@H]1CCOC2(CCC2)C1)[N+](=O)[O-] ZINC000893046389 618093324 /nfs/dbraw/zinc/09/33/24/618093324.db2.gz ANCZJOUQIWSHDK-NXEZZACHSA-N 0 3 257.286 1.544 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000893069110 618125225 /nfs/dbraw/zinc/12/52/25/618125225.db2.gz BGMVRQNOBUILNP-ONGXEEELSA-N 0 3 296.323 1.824 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000894041460 618282490 /nfs/dbraw/zinc/28/24/90/618282490.db2.gz CEXPDVSCJKPHOI-MWLCHTKSSA-N 0 3 296.323 1.824 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccc(OC(F)F)cc1 ZINC000905029590 626391460 /nfs/dbraw/zinc/39/14/60/626391460.db2.gz YVOKATRDMNFKHM-UHFFFAOYSA-N 0 3 260.240 1.697 20 5 CDBDHN COc1ccccc1C(C)(C)CNCC[N+](=O)[O-] ZINC000905074121 626617488 /nfs/dbraw/zinc/61/74/88/626617488.db2.gz YEDTYPDAFNEHMW-UHFFFAOYSA-N 0 3 252.314 1.839 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC/C=C/Cl)cc1 ZINC000905706100 626933591 /nfs/dbraw/zinc/93/35/91/626933591.db2.gz DWSWJDSJQCKWIE-VJLMDBHNSA-N 0 3 256.689 1.970 20 5 CDBDHN C[C@@H]1CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971446 627061287 /nfs/dbraw/zinc/06/12/87/627061287.db2.gz BKIQQPBIZSJTCQ-PWSUYJOCSA-N 0 3 266.297 1.429 20 5 CDBDHN CC[C@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000916570421 632016949 /nfs/dbraw/zinc/01/69/49/632016949.db2.gz CCMHJLHDGMOYNV-SNVBAGLBSA-N 0 3 281.312 1.202 20 5 CDBDHN CN1CC[C@H](Nc2ncc3cccc([N+](=O)[O-])c3n2)C1 ZINC001167275576 1158554903 /nfs/dbraw/zinc/55/49/03/1158554903.db2.gz SMPLUAPUWDNTHP-JTQLQIEISA-N 0 3 273.296 1.654 20 5 CDBDHN Cc1cnc(N[C@@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170571057 1162958380 /nfs/dbraw/zinc/95/83/80/1162958380.db2.gz XUSVOQBVVBCXRQ-ONGXEEELSA-N 0 3 266.301 1.087 20 5 CDBDHN Cc1cnc(N[C@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170571055 1162958766 /nfs/dbraw/zinc/95/87/66/1162958766.db2.gz XUSVOQBVVBCXRQ-MWLCHTKSSA-N 0 3 266.301 1.087 20 5 CDBDHN COc1ccc(CNCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000134741392 705359622 /nfs/dbraw/zinc/35/96/22/705359622.db2.gz IXARYLYPEYTTTH-SFHVURJKSA-N 0 3 272.326 1.072 20 5 CDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000776591236 706077162 /nfs/dbraw/zinc/07/71/62/706077162.db2.gz HUVOHKUZNDQVIW-ZIAGYGMSSA-N 0 3 280.324 1.331 20 5 CDBDHN CCCNC(=O)CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215383 706101652 /nfs/dbraw/zinc/10/16/52/706101652.db2.gz LMTKJGDMJIOREF-JTQLQIEISA-N 0 3 297.330 1.781 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC/C=C/CO ZINC000873135605 709524567 /nfs/dbraw/zinc/52/45/67/709524567.db2.gz KRBQYNVLMBMHPP-ONEGZZNKSA-N 0 3 250.298 1.850 20 5 CDBDHN COc1ccc2c(ccn2CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113441 710529088 /nfs/dbraw/zinc/52/90/88/710529088.db2.gz PYPFREJISLXTCK-JTQLQIEISA-N 0 3 292.291 1.858 20 5 CDBDHN CNC(=O)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873024121 711504150 /nfs/dbraw/zinc/50/41/50/711504150.db2.gz HPTJGFKJAXRBEQ-UHFFFAOYSA-N 0 3 265.313 1.437 20 5 CDBDHN CC(COC(=O)c1cc(Cl)nc(N(C)C)c1)[N+](=O)[O-] ZINC000813108609 711576528 /nfs/dbraw/zinc/57/65/28/711576528.db2.gz IFHUEGHDHRSQQU-SSDOTTSWSA-N 0 3 287.703 1.623 20 5 CDBDHN Cc1ccc2nc(C(=O)OCC(C)[N+](=O)[O-])cn2c1 ZINC000860777904 711640539 /nfs/dbraw/zinc/64/05/39/711640539.db2.gz YVWRWAUSVQPFJW-VIFPVBQESA-N 0 3 263.253 1.465 20 5 CDBDHN Cc1cc(F)cc(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000176697335 711729977 /nfs/dbraw/zinc/72/99/77/711729977.db2.gz ZKHNKYPPLCSBEZ-UHFFFAOYSA-N 0 3 295.314 1.866 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000092627068 711730695 /nfs/dbraw/zinc/73/06/95/711730695.db2.gz YGLOLQUNJHVHSX-LLVKDONJSA-N 0 3 295.314 1.900 20 5 CDBDHN CC(COC(=O)C1(C(=O)OC(C)(C)C)CC=CC1)[N+](=O)[O-] ZINC000851036787 711745057 /nfs/dbraw/zinc/74/50/57/711745057.db2.gz NEKYZTJAMVMINP-JTQLQIEISA-N 0 3 299.323 1.873 20 5 CDBDHN CC(COC(=O)c1cccc(NC(=O)N(C)C)c1)[N+](=O)[O-] ZINC000813105193 711767444 /nfs/dbraw/zinc/76/74/44/711767444.db2.gz KGKWLRYWQHUDTH-VIFPVBQESA-N 0 3 295.295 1.602 20 5 CDBDHN CN1CC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000712579981 711767607 /nfs/dbraw/zinc/76/76/07/711767607.db2.gz MCJKKKNODNJHSJ-LLVKDONJSA-N 0 3 253.277 1.528 20 5 CDBDHN O=C1NCCC[C@@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839195342 711813112 /nfs/dbraw/zinc/81/31/12/711813112.db2.gz HDYPYZQXUFIBNZ-SECBINFHSA-N 0 3 297.742 1.864 20 5 CDBDHN CCOC(=O)C1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000842802182 711820475 /nfs/dbraw/zinc/82/04/75/711820475.db2.gz SECHYQWHAZFABK-VIFPVBQESA-N 0 3 273.285 1.318 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1=CCCC1 ZINC001125624700 897012732 /nfs/dbraw/zinc/01/27/32/897012732.db2.gz GHVFJOUFQFRGLL-UHFFFAOYSA-N 0 3 289.335 1.911 20 5 CDBDHN Cc1c(-n2nccc2CN)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162593349 922793841 /nfs/dbraw/zinc/79/38/41/922793841.db2.gz IQDHGZPTZGGXTO-UHFFFAOYSA-N 0 3 277.240 1.456 20 5 CDBDHN O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccnc1 ZINC001168977336 927563401 /nfs/dbraw/zinc/56/34/01/927563401.db2.gz ANFJFCVQFORULQ-PWSUYJOCSA-N 0 3 263.297 1.299 20 5 CDBDHN COc1cccnc1CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978613 927566041 /nfs/dbraw/zinc/56/60/41/927566041.db2.gz SUPHCFUOWKYYHR-GHMZBOCLSA-N 0 3 265.313 1.625 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC(N3CCC(F)CC3)C2)C1 ZINC001169034141 927642399 /nfs/dbraw/zinc/64/23/99/927642399.db2.gz FNHVNNPTTIMSLT-YPMHNXCESA-N 0 3 285.363 1.550 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3cccnc3C2)C1 ZINC001169036139 927644556 /nfs/dbraw/zinc/64/45/56/927644556.db2.gz FMCPCMIGELUMDY-YPMHNXCESA-N 0 3 261.325 1.885 20 5 CDBDHN COC1C[C@@H]2COC[C@H](C1)N2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169024344 927664268 /nfs/dbraw/zinc/66/42/68/927664268.db2.gz GLKDBPMTQWDTSI-ZBBUEOHVSA-N 0 3 284.356 1.310 20 5 CDBDHN C[C@@H](N)c1nc2ccccc2n1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001155254145 937653928 /nfs/dbraw/zinc/65/39/28/937653928.db2.gz GEFKUVWRJFYMTK-MRVPVSSYSA-N 0 3 298.306 1.931 20 5 CDBDHN NCc1cn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])cn1 ZINC001162296467 938972684 /nfs/dbraw/zinc/97/26/84/938972684.db2.gz GCTLPJLBVXWTRL-UHFFFAOYSA-N 0 3 294.702 1.560 20 5 CDBDHN Cc1cc(CN)nn1-c1cc(F)cc(F)c1[N+](=O)[O-] ZINC001163985428 939372757 /nfs/dbraw/zinc/37/27/57/939372757.db2.gz QCYVZSABSGXMMT-UHFFFAOYSA-N 0 3 268.223 1.826 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333487 941988727 /nfs/dbraw/zinc/98/87/27/941988727.db2.gz KPGKISNMUFPCEV-SECBINFHSA-O 0 3 255.294 1.774 20 5 CDBDHN CCN1CCC(Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226730375 942059522 /nfs/dbraw/zinc/05/95/22/942059522.db2.gz DUXBPGVXPOQEMQ-UHFFFAOYSA-N 0 3 252.274 1.248 20 5 CDBDHN COCCN1CCC(Oc2ncc([N+](=O)[O-])cc2C)CC1 ZINC001226761506 942065269 /nfs/dbraw/zinc/06/52/69/942065269.db2.gz JBMIROPJMNNMRM-UHFFFAOYSA-N 0 3 295.339 1.788 20 5 CDBDHN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCCN(C)C1 ZINC001233983655 943707227 /nfs/dbraw/zinc/70/72/27/943707227.db2.gz WRHQQQRVLFZZEA-ZDUSSCGKSA-N 0 3 294.351 1.987 20 5 CDBDHN CC(COC(=O)[C@@H]1CSC(c2ccccc2)=N1)[N+](=O)[O-] ZINC001263502196 943875788 /nfs/dbraw/zinc/87/57/88/943875788.db2.gz MPKPPYKBXVCIFO-ONGXEEELSA-N 0 3 294.332 1.757 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](O)[C@H](CO)C1 ZINC001254551828 947520730 /nfs/dbraw/zinc/52/07/30/947520730.db2.gz GGWMTGBBRAUKCP-ZLDLUXBVSA-N 0 3 294.351 1.201 20 5 CDBDHN C[C@]1(CO)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965601 958816000 /nfs/dbraw/zinc/81/60/00/958816000.db2.gz SPUXTCLIXAPVHM-CABCVRRESA-N 0 3 294.351 1.723 20 5 CDBDHN CC(COC(=O)COc1ccc(F)c(F)c1)[N+](=O)[O-] ZINC001343655020 964079839 /nfs/dbraw/zinc/07/98/39/964079839.db2.gz XWOLLQZITGRZQN-ZETCQYMHSA-N 0 3 275.207 1.552 20 5 CDBDHN CC[C@@H](C)n1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC001344999211 964526467 /nfs/dbraw/zinc/52/64/67/964526467.db2.gz XENXXWHYLNJFDE-BDAKNGLRSA-N 0 3 255.274 1.676 20 5 CDBDHN CC[C@H](N)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001358142614 969697164 /nfs/dbraw/zinc/69/71/64/969697164.db2.gz NBQZHIOOACJIEN-KCJUWKMLSA-N 0 3 251.286 1.509 20 5 CDBDHN CCn1cc(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001515228704 976409218 /nfs/dbraw/zinc/40/92/18/976409218.db2.gz CQSDDOALNQEHLM-SSDOTTSWSA-N 0 3 260.677 1.983 20 5 CDBDHN C[C@]1(O)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000124888126 187159478 /nfs/dbraw/zinc/15/94/78/187159478.db2.gz MDXPTPFBNZYNCZ-AWEZNQCLSA-N 0 3 264.325 1.984 20 5 CDBDHN C[C@H]1CCN[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000127121240 342066768 /nfs/dbraw/zinc/06/67/68/342066768.db2.gz DBDPIQLGRZTXNQ-GWCFXTLKSA-N 0 3 277.324 1.599 20 5 CDBDHN C[C@@H](NC[C@H]1CCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000591243902 342622537 /nfs/dbraw/zinc/62/25/37/342622537.db2.gz OOSOGZUBKNXKIX-ZYHUDNBSSA-N 0 3 277.324 1.772 20 5 CDBDHN C[C@@H](NC(=O)[C@H]1NCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591667921 342641041 /nfs/dbraw/zinc/64/10/41/342641041.db2.gz GGCXUYIOIUCBTN-BXKDBHETSA-N 0 3 277.324 1.770 20 5 CDBDHN CC(C)O[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593055896 342760067 /nfs/dbraw/zinc/76/00/67/342760067.db2.gz TVAAEXVIFCUHBZ-GFCCVEGCSA-N 0 3 282.344 1.681 20 5 CDBDHN COc1ccc(OCCN(C)[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000593107838 342769001 /nfs/dbraw/zinc/76/90/01/342769001.db2.gz OWECWFFZNZNEBF-LLVKDONJSA-N 0 3 298.339 1.685 20 5 CDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609383442 342264681 /nfs/dbraw/zinc/26/46/81/342264681.db2.gz NZQYLVNJAQMSRG-CYBMUJFWSA-N 0 3 289.335 1.809 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)C(F)F ZINC000594496706 342914217 /nfs/dbraw/zinc/91/42/17/342914217.db2.gz RXOVIHMSSQNKSI-GXSJLCMTSA-N 0 3 272.251 1.798 20 5 CDBDHN COc1ccc(CNCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000113310341 539105715 /nfs/dbraw/zinc/10/57/15/539105715.db2.gz DKTXWJQQDIRBDW-UHFFFAOYSA-N 0 3 296.323 1.235 20 5 CDBDHN CC(C)(N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594652041 342933382 /nfs/dbraw/zinc/93/33/82/342933382.db2.gz JOZVSVDDEUYGTJ-UHFFFAOYSA-N 0 3 263.257 1.075 20 5 CDBDHN CCN1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074749727 342303855 /nfs/dbraw/zinc/30/38/55/342303855.db2.gz UTQJZZCAWOYHCV-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN CC[C@@H](NC)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595933627 343185510 /nfs/dbraw/zinc/18/55/10/343185510.db2.gz IYGYLCVRBDJIPA-SNVBAGLBSA-N 0 3 263.297 1.482 20 5 CDBDHN CN1CCC(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000073100358 362144124 /nfs/dbraw/zinc/14/41/24/362144124.db2.gz XZTNBQNHZPRDJR-UHFFFAOYSA-N 0 3 277.324 1.553 20 5 CDBDHN CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1CCCN(C)C1 ZINC000596142609 343242297 /nfs/dbraw/zinc/24/22/97/343242297.db2.gz UEVLNKYZAMKDMJ-LLVKDONJSA-N 0 3 292.339 1.224 20 5 CDBDHN C[C@@H](CN1CCC(C)CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000596487314 343328891 /nfs/dbraw/zinc/32/88/91/343328891.db2.gz GJJDGDWXIKJKOC-NSHDSACASA-N 0 3 279.344 1.917 20 5 CDBDHN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000271041449 529772850 /nfs/dbraw/zinc/77/28/50/529772850.db2.gz NCNNMVLVLAFEGG-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598342460 343770893 /nfs/dbraw/zinc/77/08/93/343770893.db2.gz ISGBXGLPPFWTCN-LBPRGKRZSA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1 ZINC000598914499 343919540 /nfs/dbraw/zinc/91/95/40/343919540.db2.gz GOSYOYNETMJIPS-BDAKNGLRSA-N 0 3 296.302 1.948 20 5 CDBDHN CCC(O)(CC)CN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000599673119 344114071 /nfs/dbraw/zinc/11/40/71/344114071.db2.gz KNFYVHCVWSYRKC-UHFFFAOYSA-N 0 3 297.355 1.239 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1[C@H](C)O ZINC000602775612 344578201 /nfs/dbraw/zinc/57/82/01/344578201.db2.gz KIBCSMAJADFHHF-CMPLNLGQSA-N 0 3 282.344 1.335 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1[C@@H](C)CO ZINC000602881628 344633295 /nfs/dbraw/zinc/63/32/95/344633295.db2.gz GHEYPWYHQWQDAP-WCQYABFASA-N 0 3 296.371 1.583 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CSCCN1 ZINC000603420235 344799694 /nfs/dbraw/zinc/79/96/94/344799694.db2.gz QYEPGVIBAAGGKU-VIFPVBQESA-N 0 3 285.373 1.237 20 5 CDBDHN CCN(CCOCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000265811079 362614496 /nfs/dbraw/zinc/61/44/96/362614496.db2.gz PVCVPWOWDKPUGC-UHFFFAOYSA-N 0 3 268.313 1.426 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC(C)C)CC1 ZINC000611442833 346788850 /nfs/dbraw/zinc/78/88/50/346788850.db2.gz JCXQBHXYRRQZLP-UHFFFAOYSA-N 0 3 295.387 1.373 20 5 CDBDHN CN1CCC[C@@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000611509112 346800291 /nfs/dbraw/zinc/80/02/91/346800291.db2.gz JKGPWVZSIUUEFP-CYBMUJFWSA-N 0 3 277.324 1.348 20 5 CDBDHN CN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273344908 192120509 /nfs/dbraw/zinc/12/05/09/192120509.db2.gz BOYVEXBXKDWZJH-MRVPVSSYSA-N 0 3 282.275 1.560 20 5 CDBDHN CCN(CC)CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000059584463 348880604 /nfs/dbraw/zinc/88/06/04/348880604.db2.gz LWFSBCCCRXGCPP-UHFFFAOYSA-N 0 3 294.355 1.465 20 5 CDBDHN C[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N(C)C ZINC000065866319 348966990 /nfs/dbraw/zinc/96/69/90/348966990.db2.gz ADHUVFPUJFGGHD-JTQLQIEISA-N 0 3 280.328 1.073 20 5 CDBDHN COC[C@@H](O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090950234 180072115 /nfs/dbraw/zinc/07/21/15/180072115.db2.gz AFNWTMZGHKEQAV-GWCFXTLKSA-N 0 3 268.313 1.643 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC3(C2)CCOCC3)c1 ZINC000364345854 362977352 /nfs/dbraw/zinc/97/73/52/362977352.db2.gz NJWAPBYCZRFWCJ-UHFFFAOYSA-N 0 3 280.328 1.294 20 5 CDBDHN Cc1cc(=O)n(CCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000155917037 188235578 /nfs/dbraw/zinc/23/55/78/188235578.db2.gz ULJFMIMWZUALLR-UHFFFAOYSA-N 0 3 279.340 1.797 20 5 CDBDHN Cc1cnc(NCC2=CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000271769229 191315338 /nfs/dbraw/zinc/31/53/38/191315338.db2.gz FZKHYVQVCMUATD-UHFFFAOYSA-N 0 3 262.313 1.972 20 5 CDBDHN Cc1cc(C(=O)NCC2=CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000271824859 191350069 /nfs/dbraw/zinc/35/00/69/191350069.db2.gz GNIOZQZIJYNYAT-UHFFFAOYSA-N 0 3 289.335 1.895 20 5 CDBDHN CCCN(CCN1CCCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000286267864 356240034 /nfs/dbraw/zinc/24/00/34/356240034.db2.gz HCTBLTZHAXQACD-UHFFFAOYSA-N 0 3 294.359 1.279 20 5 CDBDHN CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCOCCO ZINC000337462371 538440095 /nfs/dbraw/zinc/44/00/95/538440095.db2.gz KSQOJOKDHDXBEK-ALCCZGGFSA-N 0 3 294.351 1.939 20 5 CDBDHN C[C@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181933834 357391470 /nfs/dbraw/zinc/39/14/70/357391470.db2.gz VWTMICHBUMYWPX-RYUDHWBXSA-N 0 3 280.324 1.819 20 5 CDBDHN CCOC1CC(N(C)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000286899112 358024946 /nfs/dbraw/zinc/02/49/46/358024946.db2.gz IXUYJGSVVHOFBC-UHFFFAOYSA-N 0 3 268.317 1.291 20 5 CDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000287094985 358096319 /nfs/dbraw/zinc/09/63/19/358096319.db2.gz LCLQMWPWTPFCDK-ZYHUDNBSSA-N 0 3 292.339 1.622 20 5 CDBDHN COc1ccc(NC(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000287330320 358399722 /nfs/dbraw/zinc/39/97/22/358399722.db2.gz YBVNCYUMSKENMU-VIFPVBQESA-N 0 3 296.327 1.675 20 5 CDBDHN Cc1nc(NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000231208151 359251965 /nfs/dbraw/zinc/25/19/65/359251965.db2.gz NJSUASAOOJGUGD-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN CC[C@@H](CNCc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000289675848 359664784 /nfs/dbraw/zinc/66/47/84/359664784.db2.gz CCVHIASWARDNIS-JTQLQIEISA-N 0 3 284.312 1.824 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000298050819 200323107 /nfs/dbraw/zinc/32/31/07/200323107.db2.gz SNRLUTBMCONZTD-QWRGUYRKSA-N 0 3 294.355 1.905 20 5 CDBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000177005229 189020191 /nfs/dbraw/zinc/02/01/91/189020191.db2.gz CROSVNDVEZNXCR-SNVBAGLBSA-N 0 3 281.312 1.744 20 5 CDBDHN CC[C@H](CSC)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000091099743 360229424 /nfs/dbraw/zinc/22/94/24/360229424.db2.gz ZLHZXNWCSHWRDJ-LLVKDONJSA-N 0 3 299.396 1.830 20 5 CDBDHN CC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000177807563 189071224 /nfs/dbraw/zinc/07/12/24/189071224.db2.gz HWKPNSTWEWUSHZ-GFCCVEGCSA-N 0 3 279.340 1.893 20 5 CDBDHN C[C@H](O)C[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179086069 189167833 /nfs/dbraw/zinc/16/78/33/189167833.db2.gz RFCVOWRCFNWOBR-WHOFXGATSA-N 0 3 294.351 1.864 20 5 CDBDHN CCN1CCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000035121781 361265568 /nfs/dbraw/zinc/26/55/68/361265568.db2.gz KSVYJLMQXRJJIH-SECBINFHSA-N 0 3 253.306 1.225 20 5 CDBDHN O=[N+]([O-])c1cnc(NCC2CCN(CCO)CC2)s1 ZINC000192451345 361668595 /nfs/dbraw/zinc/66/85/95/361668595.db2.gz YMDYCOHDJFMBBO-UHFFFAOYSA-N 0 3 286.357 1.168 20 5 CDBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000580339853 363901692 /nfs/dbraw/zinc/90/16/92/363901692.db2.gz JHEJEOXKIWTYCD-GHMZBOCLSA-N 0 3 264.329 1.909 20 5 CDBDHN COC[C@H](CCO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223951771 370745619 /nfs/dbraw/zinc/74/56/19/370745619.db2.gz MJGFJBAZUSMAEW-AAEUAGOBSA-N 0 3 282.340 1.951 20 5 CDBDHN CN(C)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459546363 366914460 /nfs/dbraw/zinc/91/44/60/366914460.db2.gz IEUIJDBDLPEARZ-UHFFFAOYSA-N 0 3 291.355 1.901 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC(C)(CO)CO ZINC000272360327 367695354 /nfs/dbraw/zinc/69/53/54/367695354.db2.gz SCYOCBOJZWLQTE-LBPRGKRZSA-N 0 3 296.367 1.887 20 5 CDBDHN CN1CC=C(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272631687 367783279 /nfs/dbraw/zinc/78/32/79/367783279.db2.gz KKEMGDYFGJXRHR-UHFFFAOYSA-N 0 3 290.323 1.169 20 5 CDBDHN C[C@@H](O)[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000272634747 367785490 /nfs/dbraw/zinc/78/54/90/367785490.db2.gz WTSZOZJRJNGILX-NEPJUHHUSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000299600676 367794773 /nfs/dbraw/zinc/79/47/73/367794773.db2.gz GDHZGWFKCTTXRX-VIFPVBQESA-N 0 3 263.297 1.536 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCNC[C@@](C)(F)C1 ZINC000420333482 244099844 /nfs/dbraw/zinc/09/98/44/244099844.db2.gz NTOOFJRLQIIYKJ-CQSZACIVSA-N 0 3 297.330 1.737 20 5 CDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344649661 372853641 /nfs/dbraw/zinc/85/36/41/372853641.db2.gz UYNASZNUOSHOKP-GFCCVEGCSA-N 0 3 294.355 1.773 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC1CC1 ZINC000037810252 373399693 /nfs/dbraw/zinc/39/96/93/373399693.db2.gz CVMCTRKCEWIKFD-UHFFFAOYSA-N 0 3 263.297 1.305 20 5 CDBDHN CCc1nn(C)c(NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000091561878 374039969 /nfs/dbraw/zinc/03/99/69/374039969.db2.gz DHTPIOVYXDSSIS-JTQLQIEISA-N 0 3 281.360 1.644 20 5 CDBDHN CN(CCn1ncc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000418897407 374269682 /nfs/dbraw/zinc/26/96/82/374269682.db2.gz HHFPHDJPMJLKKF-UHFFFAOYSA-N 0 3 275.312 1.506 20 5 CDBDHN Cc1c([C@@H](C)NC[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423531722 374388461 /nfs/dbraw/zinc/38/84/61/374388461.db2.gz YOGNKLSCOWBVQP-NEPJUHHUSA-N 0 3 279.340 1.542 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCCC12CCOCC2 ZINC000376740497 374568543 /nfs/dbraw/zinc/56/85/43/374568543.db2.gz VRRZZDDBPWCKIZ-LBPRGKRZSA-N 0 3 294.355 1.767 20 5 CDBDHN CCOCCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000093317023 374740817 /nfs/dbraw/zinc/74/08/17/374740817.db2.gz JRXXINQCEJIZHF-UHFFFAOYSA-N 0 3 268.313 1.942 20 5 CDBDHN CO[C@H]1COCC[C@H]1CNCc1ccc([N+](=O)[O-])cc1F ZINC000449462751 374812658 /nfs/dbraw/zinc/81/26/58/374812658.db2.gz VQBFICDHEWNIIR-FZMZJTMJSA-N 0 3 298.314 1.875 20 5 CDBDHN CN(C)C[C@@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658210 375040421 /nfs/dbraw/zinc/04/04/21/375040421.db2.gz ANYMILRONJOGMK-DZGCQCFKSA-N 0 3 293.367 1.484 20 5 CDBDHN CC[C@H](CNc1c([N+](=O)[O-])ncn1C)N1CCCC1 ZINC000029623278 375450307 /nfs/dbraw/zinc/45/03/07/375450307.db2.gz IEXUNUOJNNYQSW-SNVBAGLBSA-N 0 3 267.333 1.615 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CC(=O)N(C)C1 ZINC000344830140 375550461 /nfs/dbraw/zinc/55/04/61/375550461.db2.gz RBGYOILXVFERHE-TUOYRWMMSA-N 0 3 289.335 1.818 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)C2CC2)cc1 ZINC000353070781 375574520 /nfs/dbraw/zinc/57/45/20/375574520.db2.gz IGUBTCRKNOXYHI-LBPRGKRZSA-N 0 3 250.298 1.703 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000353481914 375616023 /nfs/dbraw/zinc/61/60/23/375616023.db2.gz LBGRSWQIEBIHNA-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](C(N)=O)C1 ZINC000347353778 375812790 /nfs/dbraw/zinc/81/27/90/375812790.db2.gz HJRYCEMNVBFPRB-SVTZGKHISA-N 0 3 289.335 1.805 20 5 CDBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000267069850 376800403 /nfs/dbraw/zinc/80/04/03/376800403.db2.gz KPQDLXFTDFZRSG-GHMZBOCLSA-N 0 3 252.318 1.912 20 5 CDBDHN CN(CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000268140064 377182411 /nfs/dbraw/zinc/18/24/11/377182411.db2.gz ICQBMWVNHGSUNU-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CC[C@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000075633420 377852294 /nfs/dbraw/zinc/85/22/94/377852294.db2.gz HZDVEDPKMIFOBB-VIFPVBQESA-N 0 3 265.313 1.924 20 5 CDBDHN CN(C)C/C=C\C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000492019282 253140482 /nfs/dbraw/zinc/14/04/82/253140482.db2.gz ODKUGSRBLVLRNE-ARJAWSKDSA-N 0 3 267.260 1.790 20 5 CDBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCCF)n1 ZINC000436280827 285169533 /nfs/dbraw/zinc/16/95/33/285169533.db2.gz FLKOEJBALBLYCF-ZJUUUORDSA-N 0 3 256.281 1.834 20 5 CDBDHN CN(C)CCN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336788402 390198750 /nfs/dbraw/zinc/19/87/50/390198750.db2.gz GXYIFOWDMPVUMP-UHFFFAOYSA-N 0 3 255.293 1.727 20 5 CDBDHN COCCN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000048611063 390449734 /nfs/dbraw/zinc/44/97/34/390449734.db2.gz CHYJRJQKQJMIFW-UHFFFAOYSA-N 0 3 281.312 1.502 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000450978300 390583848 /nfs/dbraw/zinc/58/38/48/390583848.db2.gz YFYVMCRSJDEVSP-ZDUSSCGKSA-N 0 3 280.324 1.485 20 5 CDBDHN Cc1cc(N2CCN(C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266451653 391009033 /nfs/dbraw/zinc/00/90/33/391009033.db2.gz XKHSZVZIRMUYSM-CHWSQXEVSA-N 0 3 293.367 1.795 20 5 CDBDHN CCN1CCN(CCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413056815 391153487 /nfs/dbraw/zinc/15/34/87/391153487.db2.gz WMGCQIQTHHQBHA-UHFFFAOYSA-N 0 3 297.334 1.178 20 5 CDBDHN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295014487 391360271 /nfs/dbraw/zinc/36/02/71/391360271.db2.gz UEEJXNWJBZZUNQ-NSHDSACASA-N 0 3 276.340 1.910 20 5 CDBDHN CCN1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000267241027 391377448 /nfs/dbraw/zinc/37/74/48/391377448.db2.gz RTJJPRLFLZJDDT-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000457083759 391402833 /nfs/dbraw/zinc/40/28/33/391402833.db2.gz KTWBSUIHXPQTBV-JTQLQIEISA-N 0 3 281.312 1.743 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186717294 391443150 /nfs/dbraw/zinc/44/31/50/391443150.db2.gz GDKFEUKQYUDSQM-UHFFFAOYSA-N 0 3 291.351 1.690 20 5 CDBDHN COc1ccc(CNCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000397982522 391637951 /nfs/dbraw/zinc/63/79/51/391637951.db2.gz LGSNMBHBFBEQTB-UHFFFAOYSA-N 0 3 279.340 1.787 20 5 CDBDHN CN(C)C1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000397980713 391638000 /nfs/dbraw/zinc/63/80/00/391638000.db2.gz KMXJNCHEFLTSHO-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000358344388 391589495 /nfs/dbraw/zinc/58/94/95/391589495.db2.gz VJMGCZHMCYITCG-LBPRGKRZSA-N 0 3 251.286 1.073 20 5 CDBDHN C[C@H](N[C@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])cc1 ZINC000111015475 391848038 /nfs/dbraw/zinc/84/80/38/391848038.db2.gz IEWKTEFDDQFKSC-ONGXEEELSA-N 0 3 263.297 1.524 20 5 CDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCCN1 ZINC000237891756 131064046 /nfs/dbraw/zinc/06/40/46/131064046.db2.gz DYLRFOZZAHYPPA-GFCCVEGCSA-N 0 3 277.324 1.396 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000524720011 392918054 /nfs/dbraw/zinc/91/80/54/392918054.db2.gz UPONKAMDMOZIEF-JTQLQIEISA-N 0 3 280.328 1.005 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000421701880 392942818 /nfs/dbraw/zinc/94/28/18/392942818.db2.gz IRFRIWQFHRCFBQ-SNVBAGLBSA-N 0 3 280.328 1.100 20 5 CDBDHN Cc1cc(N2CC[C@H]3CCN(C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000272188310 393012533 /nfs/dbraw/zinc/01/25/33/393012533.db2.gz LQHAAXULGDHQDB-DGCLKSJQSA-N 0 3 276.340 1.829 20 5 CDBDHN Cc1cc(N2CC[C@H]3CCN(C)C[C@@H]32)ncc1[N+](=O)[O-] ZINC000272188312 393012792 /nfs/dbraw/zinc/01/27/92/393012792.db2.gz LQHAAXULGDHQDB-YPMHNXCESA-N 0 3 276.340 1.829 20 5 CDBDHN COC[C@@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532498945 393075228 /nfs/dbraw/zinc/07/52/28/393075228.db2.gz WBXVNNIPVRWVJS-RISCZKNCSA-N 0 3 282.340 1.951 20 5 CDBDHN O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CNCCO1 ZINC000236048502 140238631 /nfs/dbraw/zinc/23/86/31/140238631.db2.gz IQPJJKIGMVOPIN-QMMMGPOBSA-N 0 3 271.704 1.649 20 5 CDBDHN CCN(C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181885362 148229243 /nfs/dbraw/zinc/22/92/43/148229243.db2.gz ZZLHZAFKUSJCTE-UHFFFAOYSA-N 0 3 295.295 1.005 20 5 CDBDHN CCc1nn(C)c(N(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000184784040 148372044 /nfs/dbraw/zinc/37/20/44/148372044.db2.gz NSGJIBIVMPUBGZ-UHFFFAOYSA-N 0 3 281.360 1.421 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000334042191 149306070 /nfs/dbraw/zinc/30/60/70/149306070.db2.gz HZMABFILNMVJGY-VHSXEESVSA-N 0 3 295.314 1.946 20 5 CDBDHN C[C@H]1[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343429984 152172403 /nfs/dbraw/zinc/17/24/03/152172403.db2.gz IAEXELWHMKPKLK-SMDDNHRTSA-N 0 3 291.351 1.736 20 5 CDBDHN CCCN1CCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000343915533 152351339 /nfs/dbraw/zinc/35/13/39/152351339.db2.gz GXXKTWXEEWYIBW-SNVBAGLBSA-N 0 3 267.333 1.615 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000346229313 153106074 /nfs/dbraw/zinc/10/60/74/153106074.db2.gz SJJFGUKACDKMFI-VIFPVBQESA-N 0 3 251.286 1.275 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000346255113 153114131 /nfs/dbraw/zinc/11/41/31/153114131.db2.gz HYWAMKGCAOAYAW-MRVPVSSYSA-N 0 3 269.276 1.414 20 5 CDBDHN COc1c(C(=O)NCCN2CCCC2)cccc1[N+](=O)[O-] ZINC000353825103 156107676 /nfs/dbraw/zinc/10/76/76/156107676.db2.gz KCFBWIINAGSVSC-UHFFFAOYSA-N 0 3 293.323 1.429 20 5 CDBDHN CO[C@H](C)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285353688 196258956 /nfs/dbraw/zinc/25/89/56/196258956.db2.gz VJHNXPJLGYLTJM-BDAKNGLRSA-N 0 3 253.302 1.863 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000285468437 196294118 /nfs/dbraw/zinc/29/41/18/196294118.db2.gz ZZOCPGCGDPOWPG-GFCCVEGCSA-N 0 3 250.298 1.858 20 5 CDBDHN COC(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177232 173010952 /nfs/dbraw/zinc/01/09/52/173010952.db2.gz PAWMCNMINVVHGB-SECBINFHSA-N 0 3 252.270 1.809 20 5 CDBDHN C[C@H](NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038060658 174071771 /nfs/dbraw/zinc/07/17/71/174071771.db2.gz DMSWAOUFADTXTN-GXFFZTMASA-N 0 3 266.297 1.661 20 5 CDBDHN COc1ccc(CNC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000045107732 175308451 /nfs/dbraw/zinc/30/84/51/175308451.db2.gz BAFNXAUFJFYAST-JTQLQIEISA-N 0 3 267.329 1.643 20 5 CDBDHN COC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071269817 176103158 /nfs/dbraw/zinc/10/31/58/176103158.db2.gz NMNYCGMQLLONCY-SKDRFNHKSA-N 0 3 254.286 1.253 20 5 CDBDHN COc1cccc(N2CCN[C@@H](C)C2)c1[N+](=O)[O-] ZINC000122813192 278016412 /nfs/dbraw/zinc/01/64/12/278016412.db2.gz DQOHDAXPMHVEME-VIFPVBQESA-N 0 3 251.286 1.402 20 5 CDBDHN CC(C)n1cc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cn1 ZINC000541643639 289503169 /nfs/dbraw/zinc/50/31/69/289503169.db2.gz DCARQARWDQKGRJ-NSHDSACASA-N 0 3 292.343 1.920 20 5 CDBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000048484593 521583525 /nfs/dbraw/zinc/58/35/25/521583525.db2.gz XUMSBFMAWAWYQV-UHFFFAOYSA-N 0 3 250.302 1.886 20 5 CDBDHN CCN1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000337027995 521641611 /nfs/dbraw/zinc/64/16/11/521641611.db2.gz WLSQSWCDOCEXTP-SECBINFHSA-N 0 3 270.358 1.617 20 5 CDBDHN O=C(CNC1(CO)CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000304912700 534585250 /nfs/dbraw/zinc/58/52/50/534585250.db2.gz WODBZFCPIKYPPZ-UHFFFAOYSA-N 0 3 293.323 1.428 20 5 CDBDHN COc1ccc(CN[C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000049235665 524089065 /nfs/dbraw/zinc/08/90/65/524089065.db2.gz WMIUMJVHOYYTSI-LLVKDONJSA-N 0 3 290.323 1.978 20 5 CDBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@@H](CO)C1CC1 ZINC000771816587 575702589 /nfs/dbraw/zinc/70/25/89/575702589.db2.gz YOKMYBMWMJVOMD-NSHDSACASA-N 0 3 254.261 1.594 20 5 CDBDHN Cc1cc(COC(=O)C2CCN(C)C2=O)ccc1[N+](=O)[O-] ZINC000774299239 575196933 /nfs/dbraw/zinc/19/69/33/575196933.db2.gz VOPLDVRSELXJGC-NSHDSACASA-N 0 3 292.291 1.425 20 5 CDBDHN CN(CCN(C)C1CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770685267 575486582 /nfs/dbraw/zinc/48/65/82/575486582.db2.gz PGDNJEVOQNEXNF-HNNXBMFYSA-N 0 3 293.367 1.654 20 5 CDBDHN Cc1ccc(OC(=O)C2CCN(C)C2=O)c([N+](=O)[O-])c1 ZINC000773982772 575846776 /nfs/dbraw/zinc/84/67/76/575846776.db2.gz BBKOWKDSSUQTKV-VIFPVBQESA-N 0 3 278.264 1.287 20 5 CDBDHN Cc1n[nH]c(C(=O)NC[C@@H](C)N2CCCCC2)c1[N+](=O)[O-] ZINC000749734196 576960066 /nfs/dbraw/zinc/96/00/66/576960066.db2.gz FXVKNRGPXWTJNY-SECBINFHSA-N 0 3 295.343 1.231 20 5 CDBDHN CNc1ccc(C)cc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000902336803 624695512 /nfs/dbraw/zinc/69/55/12/624695512.db2.gz FSNLSFGOUZJPOV-UHFFFAOYSA-N 0 3 289.339 1.931 20 5 CDBDHN COc1cc(OC)c(CCNCC[N+](=O)[O-])c(OC)c1 ZINC000905100083 626619977 /nfs/dbraw/zinc/61/99/77/626619977.db2.gz ATSZGKGSQVUDDD-UHFFFAOYSA-N 0 3 284.312 1.121 20 5 CDBDHN CC(C)(C)OC(=O)NC1(CNCC[N+](=O)[O-])CCC1 ZINC000905207459 626692149 /nfs/dbraw/zinc/69/21/49/626692149.db2.gz HDCGDTOIUZQADB-UHFFFAOYSA-N 0 3 273.333 1.300 20 5 CDBDHN CC(COC(=O)c1nn(C)c2c1CCCC2)[N+](=O)[O-] ZINC000835454495 631645851 /nfs/dbraw/zinc/64/58/51/631645851.db2.gz KCIMQKUSZVPDRO-QMMMGPOBSA-N 0 3 267.285 1.121 20 5 CDBDHN CC[C@@H](CO)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000915875574 631848825 /nfs/dbraw/zinc/84/88/25/631848825.db2.gz RZXKXRVUEVHWGV-UWVGGRQHSA-N 0 3 281.312 1.282 20 5 CDBDHN CC(C)N1CCN(CCCn2ccnc2[N+](=O)[O-])CC1 ZINC000918379477 632362978 /nfs/dbraw/zinc/36/29/78/632362978.db2.gz YDHJFLNGOOMWGC-UHFFFAOYSA-N 0 3 281.360 1.207 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001580122169 1172354534 /nfs/dbraw/zinc/35/45/34/1172354534.db2.gz OPKLIKATLMVDIG-ZDUSSCGKSA-N 0 3 293.323 1.217 20 5 CDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])nn1-c1ccccc1 ZINC000813113355 1163816275 /nfs/dbraw/zinc/81/62/75/1163816275.db2.gz ZFXSVMWGLSPTLQ-VIFPVBQESA-N 0 3 290.279 1.398 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886249837 711962115 /nfs/dbraw/zinc/96/21/15/711962115.db2.gz UGNCAZRZHXPLMV-OJNYZHBWSA-N 0 3 280.324 1.185 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC[C@H]2CCO)c1 ZINC000250065039 712089632 /nfs/dbraw/zinc/08/96/32/712089632.db2.gz WSJQFUPXSPNJIQ-ZFWWWQNUSA-N 0 3 294.351 1.865 20 5 CDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN1C ZINC000843798140 712384186 /nfs/dbraw/zinc/38/41/86/712384186.db2.gz QUIKWIJLZPVLBX-SNVBAGLBSA-N 0 3 295.314 1.866 20 5 CDBDHN CC(=O)c1c(NCCN(C)C)cccc1[N+](=O)[O-] ZINC000881736501 712698532 /nfs/dbraw/zinc/69/85/32/712698532.db2.gz CTALCEPHZDMLCU-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN[C@H](CCO)C1CC1 ZINC000886129377 712701500 /nfs/dbraw/zinc/70/15/00/712701500.db2.gz CVSSHZQMZCYTSY-LLVKDONJSA-N 0 3 251.286 1.240 20 5 CDBDHN CC(C)N1CC[C@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226751603 905570622 /nfs/dbraw/zinc/57/06/22/905570622.db2.gz MRMAKJOAUFHNSM-JTQLQIEISA-N 0 3 269.276 1.990 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000836848102 936805278 /nfs/dbraw/zinc/80/52/78/936805278.db2.gz BRXDGDXGJYGXEQ-RNCFNFMXSA-N 0 3 293.298 1.510 20 5 CDBDHN CC(COC(=O)CCCc1cccnc1)[N+](=O)[O-] ZINC000851036824 927502969 /nfs/dbraw/zinc/50/29/69/927502969.db2.gz NCXDNXWYFCVFDA-JTQLQIEISA-N 0 3 252.270 1.613 20 5 CDBDHN CC(COC(=O)c1cnn2cccc(Cl)c12)[N+](=O)[O-] ZINC000851037193 927506802 /nfs/dbraw/zinc/50/68/02/927506802.db2.gz RUYAWONRNQMXIF-ZETCQYMHSA-N 0 3 283.671 1.810 20 5 CDBDHN NCc1cnnn1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001169309855 927947185 /nfs/dbraw/zinc/94/71/85/927947185.db2.gz MBXVRZRSCIRHSW-UHFFFAOYSA-N 0 3 258.241 1.116 20 5 CDBDHN CN1CC[C@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001156580377 928790101 /nfs/dbraw/zinc/79/01/01/928790101.db2.gz APTWCSVPNXJHKO-QMMMGPOBSA-N 0 3 261.285 1.587 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(F)CC1 ZINC000880239904 929638503 /nfs/dbraw/zinc/63/85/03/929638503.db2.gz JHIMABHZVHORFB-LBPRGKRZSA-N 0 3 298.314 1.768 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN[C@@H](CO)C1CCCC1 ZINC000886211642 930827256 /nfs/dbraw/zinc/82/72/56/930827256.db2.gz UMLJYABACQDHIX-LBPRGKRZSA-N 0 3 265.313 1.631 20 5 CDBDHN Cc1ccnc(Nc2ccc(CN)nc2)c1[N+](=O)[O-] ZINC001160396196 931519833 /nfs/dbraw/zinc/51/98/33/931519833.db2.gz DUKOISISXWRSAZ-UHFFFAOYSA-N 0 3 259.269 1.896 20 5 CDBDHN CO[C@H](CC(=O)OCC(C)[N+](=O)[O-])C(F)(F)F ZINC000845574801 931847174 /nfs/dbraw/zinc/84/71/74/931847174.db2.gz DDBGBYQKHALCCZ-NTSWFWBYSA-N 0 3 259.180 1.162 20 5 CDBDHN NCc1nn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c2ccccc12 ZINC001156856406 938426713 /nfs/dbraw/zinc/42/67/13/938426713.db2.gz SQTCLRUQYPFBFY-UHFFFAOYSA-N 0 3 285.263 1.026 20 5 CDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001157270876 938473687 /nfs/dbraw/zinc/47/36/87/938473687.db2.gz GMGTXMJVSDVRJC-DGCLKSJQSA-N 0 3 292.339 1.067 20 5 CDBDHN CCOc1nc(-n2ccc([C@@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001158350565 938612667 /nfs/dbraw/zinc/61/26/67/938612667.db2.gz MDEYQKBQBIFWER-MRVPVSSYSA-N 0 3 277.284 1.594 20 5 CDBDHN Cc1c(C)c(-n2ccc([C@@H](C)N)n2)ncc1[N+](=O)[O-] ZINC001158350743 938612692 /nfs/dbraw/zinc/61/26/92/938612692.db2.gz OCXLSTWRFHUGJU-SECBINFHSA-N 0 3 261.285 1.812 20 5 CDBDHN Cc1c(CC[NH3+])c(=O)[n-]n1-c1ncc([N+](=O)[O-])c(C)c1C ZINC001159299825 938719105 /nfs/dbraw/zinc/71/91/05/938719105.db2.gz BLGDGBPJCGXSIJ-UHFFFAOYSA-N 0 3 291.311 1.308 20 5 CDBDHN C[C@@H](Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@@H]1CNCCO1 ZINC001159498217 938733943 /nfs/dbraw/zinc/73/39/43/938733943.db2.gz KPUCOOCPNMKFPA-KCJUWKMLSA-N 0 3 291.311 1.260 20 5 CDBDHN O=[N+]([O-])c1ccc2ccc(-n3cnc4c3CNCC4)nc2c1 ZINC001164313629 939452619 /nfs/dbraw/zinc/45/26/19/939452619.db2.gz MUDUPYJCTQTNSH-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN CCN1CCC[C@H](Oc2cc(OC)c([N+](=O)[O-])cn2)C1 ZINC001226581062 942029818 /nfs/dbraw/zinc/02/98/18/942029818.db2.gz KEAQRHRTWCPWQQ-JTQLQIEISA-N 0 3 281.312 1.862 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CN(C)CC1(C)C ZINC001303990411 956147799 /nfs/dbraw/zinc/14/77/99/956147799.db2.gz XUIYXLFGYJPLNO-CYBMUJFWSA-N 0 3 291.351 1.973 20 5 CDBDHN C[C@]1(CO)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965602 958819359 /nfs/dbraw/zinc/81/93/59/958819359.db2.gz SPUXTCLIXAPVHM-GJZGRUSLSA-N 0 3 294.351 1.723 20 5 CDBDHN CSC[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC001356533643 969420738 /nfs/dbraw/zinc/42/07/38/969420738.db2.gz SBGQTRCZLCXQMX-JTQLQIEISA-N 0 3 256.327 1.408 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000589101754 342496933 /nfs/dbraw/zinc/49/69/33/342496933.db2.gz JRIJMMMCEDYCCQ-JTQLQIEISA-N 0 3 290.323 1.477 20 5 CDBDHN CN1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000124691514 187148835 /nfs/dbraw/zinc/14/88/35/187148835.db2.gz IRVQVTBYIGJSAQ-UHFFFAOYSA-N 0 3 279.300 1.206 20 5 CDBDHN CN(CCN1CCCCC1)c1ncccc1[N+](=O)[O-] ZINC000593516531 342805706 /nfs/dbraw/zinc/80/57/06/342805706.db2.gz OXVMWGCXHSEJMI-UHFFFAOYSA-N 0 3 264.329 1.912 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417096 342902914 /nfs/dbraw/zinc/90/29/14/342902914.db2.gz ABXQNWLKJHISCP-YPMHNXCESA-N 0 3 292.339 1.670 20 5 CDBDHN Cn1nnc2c1CC[C@H](NCc1csc([N+](=O)[O-])c1)C2 ZINC000594517110 342917099 /nfs/dbraw/zinc/91/70/99/342917099.db2.gz VHDNUXIMSHHSTN-VIFPVBQESA-N 0 3 293.352 1.432 20 5 CDBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000274134161 539101476 /nfs/dbraw/zinc/10/14/76/539101476.db2.gz YQYLWWGVONOOCA-BXKDBHETSA-N 0 3 293.323 1.208 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCCN3CCCC[C@@H]23)nc1 ZINC000594600458 342929914 /nfs/dbraw/zinc/92/99/14/342929914.db2.gz LIWFZFLZYRDBSJ-RYUDHWBXSA-N 0 3 277.328 1.814 20 5 CDBDHN Cc1c(CNCC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000127471182 342275876 /nfs/dbraw/zinc/27/58/76/342275876.db2.gz FFKXOTMHYGJMFS-UHFFFAOYSA-N 0 3 250.298 1.908 20 5 CDBDHN COC(=O)CC[C@@H](N)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001578809875 1172017859 /nfs/dbraw/zinc/01/78/59/1172017859.db2.gz QOQPPTANQSCLAO-LLVKDONJSA-N 0 3 295.295 1.122 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CNC1(CO)CCOCC1 ZINC000595309409 343032127 /nfs/dbraw/zinc/03/21/27/343032127.db2.gz SFAMGKKJZMPYBX-UHFFFAOYSA-N 0 3 284.287 1.365 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@]1(C)CO ZINC000595872686 343177150 /nfs/dbraw/zinc/17/71/50/343177150.db2.gz KQNSBQWBRWSKDG-IUODEOHRSA-N 0 3 294.351 1.924 20 5 CDBDHN CN(CC[NH+]1CCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596111960 343230314 /nfs/dbraw/zinc/23/03/14/343230314.db2.gz FRJYJGDWHAMPRH-UHFFFAOYSA-N 0 3 266.301 1.227 20 5 CDBDHN CN(c1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1CCCN(C)C1 ZINC000596142612 343242015 /nfs/dbraw/zinc/24/20/15/343242015.db2.gz UEVLNKYZAMKDMJ-NSHDSACASA-N 0 3 292.339 1.224 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)C(C)(C)C ZINC000090564436 342396564 /nfs/dbraw/zinc/39/65/64/342396564.db2.gz AYFBJPVCFHMFJG-LBPRGKRZSA-N 0 3 297.355 1.095 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000619579007 349809976 /nfs/dbraw/zinc/80/99/76/349809976.db2.gz YONFMWHVWXUSJH-SNVBAGLBSA-N 0 3 280.328 1.479 20 5 CDBDHN CN(CCC(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304265304 529874187 /nfs/dbraw/zinc/87/41/87/529874187.db2.gz AOKFAPQZDUVWET-SECBINFHSA-N 0 3 296.249 1.036 20 5 CDBDHN C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598644835 343854964 /nfs/dbraw/zinc/85/49/64/343854964.db2.gz AQMURWWMHJIWRR-CHWSQXEVSA-N 0 3 294.351 1.924 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCN1CC[C@H](O)C1 ZINC000599018156 343945103 /nfs/dbraw/zinc/94/51/03/343945103.db2.gz FPWICDJQEHTGLD-KQIUPUNMSA-N 0 3 291.351 1.264 20 5 CDBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000602766296 344572878 /nfs/dbraw/zinc/57/28/78/344572878.db2.gz OGUNJQDNJCYSIZ-LBPRGKRZSA-N 0 3 282.344 1.601 20 5 CDBDHN CN(C)CCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602658163 344519638 /nfs/dbraw/zinc/51/96/38/344519638.db2.gz CGGSCXUQOZBGNB-UHFFFAOYSA-N 0 3 278.312 1.729 20 5 CDBDHN CO[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602804107 344592623 /nfs/dbraw/zinc/59/26/23/344592623.db2.gz IGMVGDZILATFSN-LBPRGKRZSA-N 0 3 282.344 1.601 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CC1(C)COC1 ZINC000602917054 344649443 /nfs/dbraw/zinc/64/94/43/344649443.db2.gz QPRNUEJCSBBACN-UHFFFAOYSA-N 0 3 268.317 1.068 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000602836014 344619070 /nfs/dbraw/zinc/61/90/70/344619070.db2.gz DAPYGNFAPXHYLY-NEPJUHHUSA-N 0 3 294.355 1.457 20 5 CDBDHN CCOC[C@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602840637 344621746 /nfs/dbraw/zinc/62/17/46/344621746.db2.gz OIEQGUQYQCMXJZ-CYBMUJFWSA-N 0 3 296.371 1.991 20 5 CDBDHN CN(C)CCc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603197982 344731561 /nfs/dbraw/zinc/73/15/61/344731561.db2.gz FFPOHCQGJUXZFQ-UHFFFAOYSA-N 0 3 293.302 1.478 20 5 CDBDHN CCN1CCN([C@@H](C)CNc2cccnc2[N+](=O)[O-])CC1 ZINC000603856171 344840838 /nfs/dbraw/zinc/84/08/38/344840838.db2.gz WKKFYFWGIVANDE-LBPRGKRZSA-N 0 3 293.371 1.428 20 5 CDBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604533792 344898392 /nfs/dbraw/zinc/89/83/92/344898392.db2.gz VHIUPKQDEAOQNF-UHFFFAOYSA-N 0 3 280.328 1.101 20 5 CDBDHN CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000292863339 362514793 /nfs/dbraw/zinc/51/47/93/362514793.db2.gz AMCLOALMSDNRNA-NSHDSACASA-N 0 3 298.339 1.685 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](O)CC1 ZINC000293158441 362533952 /nfs/dbraw/zinc/53/39/52/362533952.db2.gz OOFHBFWOQPOWQH-GFCCVEGCSA-N 0 3 250.298 1.942 20 5 CDBDHN CC1=CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273262095 192091750 /nfs/dbraw/zinc/09/17/50/192091750.db2.gz ZJQVCFXLLVBDTG-CYBMUJFWSA-N 0 3 292.335 1.987 20 5 CDBDHN Cc1cnc(N2CC[C@@H](OCCN(C)C)C2)c([N+](=O)[O-])c1 ZINC000611132727 346617122 /nfs/dbraw/zinc/61/71/22/346617122.db2.gz CZSVIKHDWOTNOZ-GFCCVEGCSA-N 0 3 294.355 1.455 20 5 CDBDHN O=C(CCN1CC[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128516780 187375433 /nfs/dbraw/zinc/37/54/33/187375433.db2.gz MJQGRDHOXUCJSB-SNVBAGLBSA-N 0 3 297.286 1.129 20 5 CDBDHN C[C@H](NCC(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293677485 362917956 /nfs/dbraw/zinc/91/79/56/362917956.db2.gz KCPTUQBRURIWIS-QMMMGPOBSA-N 0 3 253.302 1.599 20 5 CDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000090550551 180003025 /nfs/dbraw/zinc/00/30/25/180003025.db2.gz QZJWYOVAPZAXET-VXGBXAGGSA-N 0 3 279.340 1.877 20 5 CDBDHN CCc1nn(C)c(NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000091562299 180192876 /nfs/dbraw/zinc/19/28/76/180192876.db2.gz UIGPKEPIELIIGF-SECBINFHSA-N 0 3 267.333 1.254 20 5 CDBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000274134174 350325292 /nfs/dbraw/zinc/32/52/92/350325292.db2.gz YQYLWWGVONOOCA-SKDRFNHKSA-N 0 3 293.323 1.208 20 5 CDBDHN CN1CCN(CCCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000075669940 350488977 /nfs/dbraw/zinc/48/89/77/350488977.db2.gz FTIGHCKTHGHZBR-UHFFFAOYSA-N 0 3 293.371 1.429 20 5 CDBDHN Cc1cccc(C(=O)NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000109848547 186276654 /nfs/dbraw/zinc/27/66/54/186276654.db2.gz FWFCCPCOWZWERO-NSHDSACASA-N 0 3 277.324 1.585 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCN(CCCO)C2)c1 ZINC000295172066 199385854 /nfs/dbraw/zinc/38/58/54/199385854.db2.gz UKGQFIRLZTZUJD-AWEZNQCLSA-N 0 3 293.367 1.531 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](N)C(C)C ZINC000037029623 363314595 /nfs/dbraw/zinc/31/45/95/363314595.db2.gz HXNMOWTWYJLIRG-NSHDSACASA-N 0 3 251.286 1.825 20 5 CDBDHN C[C@@H]1C[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578194467 356263649 /nfs/dbraw/zinc/26/36/49/356263649.db2.gz LZIUSGLBZDPDPD-VXGBXAGGSA-N 0 3 276.340 1.768 20 5 CDBDHN COc1ccc(CN(C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000134843357 356421050 /nfs/dbraw/zinc/42/10/50/356421050.db2.gz KFBMFVPXWKASDG-UHFFFAOYSA-N 0 3 268.313 1.806 20 5 CDBDHN CCN(CCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048346907 357179399 /nfs/dbraw/zinc/17/93/99/357179399.db2.gz VBBRHKCOXPUXPS-UHFFFAOYSA-N 0 3 254.286 1.418 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)CN(C)C1CC1 ZINC000290767431 358139647 /nfs/dbraw/zinc/13/96/47/358139647.db2.gz KXRMWEYLTSBFFP-CYBMUJFWSA-N 0 3 280.324 1.737 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176188965 358731718 /nfs/dbraw/zinc/73/17/18/358731718.db2.gz FJTXZLYUFXBAOW-UHFFFAOYSA-N 0 3 260.297 1.923 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H](O)C1CC1 ZINC000341173096 366518736 /nfs/dbraw/zinc/51/87/36/366518736.db2.gz ZOQDGRWYCDOWGY-PKXJPQMGSA-N 0 3 262.309 1.969 20 5 CDBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351756688 358960747 /nfs/dbraw/zinc/96/07/47/358960747.db2.gz LLQLJMKJVBVCJF-GWCFXTLKSA-N 0 3 250.298 1.450 20 5 CDBDHN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCN1C ZINC000342361263 359018167 /nfs/dbraw/zinc/01/81/67/359018167.db2.gz SKTCJSSCKDBDIF-WCBMZHEXSA-N 0 3 266.301 1.135 20 5 CDBDHN CN(CC[C@@H]1CCCO1)CCn1cc([N+](=O)[O-])cn1 ZINC000342590412 359126024 /nfs/dbraw/zinc/12/60/24/359126024.db2.gz CNDVWNSWOFXTOK-LBPRGKRZSA-N 0 3 268.317 1.292 20 5 CDBDHN CC(C)[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339825281 359463189 /nfs/dbraw/zinc/46/31/89/359463189.db2.gz ZNVBWSFLAROPHB-CYBMUJFWSA-N 0 3 282.344 1.538 20 5 CDBDHN COC[C@]1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837954 200011429 /nfs/dbraw/zinc/01/14/29/200011429.db2.gz SOECYUQTLYMMEH-HUUCEWRRSA-N 0 3 294.351 1.987 20 5 CDBDHN CO[C@@H]1COCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000449452681 359576531 /nfs/dbraw/zinc/57/65/31/359576531.db2.gz GOESELMNBHZCOV-GHMZBOCLSA-N 0 3 286.353 1.797 20 5 CDBDHN CCN1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331017760 359754746 /nfs/dbraw/zinc/75/47/46/359754746.db2.gz MMUYLKVKYJDUCV-JTQLQIEISA-N 0 3 280.328 1.479 20 5 CDBDHN CCCN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000179208828 189177449 /nfs/dbraw/zinc/17/74/49/189177449.db2.gz IDYZBDFPDXKYAX-UHFFFAOYSA-N 0 3 265.313 1.631 20 5 CDBDHN C[C@H]1C[C@@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340914508 363946555 /nfs/dbraw/zinc/94/65/55/363946555.db2.gz RWSAKWUNSXXSCG-WCQYABFASA-N 0 3 280.324 1.819 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268152339 364369857 /nfs/dbraw/zinc/36/98/57/364369857.db2.gz MYDWIOGWVOJPOV-WPRPVWTQSA-N 0 3 265.317 1.223 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330906796 203377292 /nfs/dbraw/zinc/37/72/92/203377292.db2.gz NOGQNNIYBHVNRB-JQWIXIFHSA-N 0 3 277.324 1.807 20 5 CDBDHN CCn1cc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)cn1 ZINC000296012733 371203526 /nfs/dbraw/zinc/20/35/26/371203526.db2.gz LHVRHLODLOUJRF-JTQLQIEISA-N 0 3 278.316 1.359 20 5 CDBDHN COCCN1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000266237422 371585959 /nfs/dbraw/zinc/58/59/59/371585959.db2.gz WFRNGMJDCFCPMG-UHFFFAOYSA-N 0 3 294.355 1.821 20 5 CDBDHN C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269624425 373200446 /nfs/dbraw/zinc/20/04/46/373200446.db2.gz CGRJCBOOAKEBSG-MFKMUULPSA-N 0 3 250.298 1.970 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)CN(C)C ZINC000168998003 373851745 /nfs/dbraw/zinc/85/17/45/373851745.db2.gz PRDCIYXLBAHGOX-QMMMGPOBSA-N 0 3 255.322 1.482 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000115442502 374406728 /nfs/dbraw/zinc/40/67/28/374406728.db2.gz VKHCVAFODVTERN-JTQLQIEISA-N 0 3 281.312 1.602 20 5 CDBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000299249293 374601547 /nfs/dbraw/zinc/60/15/47/374601547.db2.gz QQNZOGLKPJGRFN-UHFFFAOYSA-N 0 3 280.328 1.513 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000274554290 374676574 /nfs/dbraw/zinc/67/65/74/374676574.db2.gz IOOHBFMNUJGXOF-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN COCCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332697371 375044091 /nfs/dbraw/zinc/04/40/91/375044091.db2.gz TTWSABUUYXYIKX-UHFFFAOYSA-N 0 3 251.286 1.384 20 5 CDBDHN CCN1CCN(CCNc2sccc2[N+](=O)[O-])CC1 ZINC000302011661 375160543 /nfs/dbraw/zinc/16/05/43/375160543.db2.gz YYBXOECDNHHMNW-UHFFFAOYSA-N 0 3 284.385 1.706 20 5 CDBDHN COCCN(C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000162621528 375391484 /nfs/dbraw/zinc/39/14/84/375391484.db2.gz MBOCHNZJBHEMML-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN Cc1ccc(CNCCCOCCO)cc1[N+](=O)[O-] ZINC000227333997 375503871 /nfs/dbraw/zinc/50/38/71/375503871.db2.gz GELLVJDHGYSAPM-UHFFFAOYSA-N 0 3 268.313 1.392 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)C2CC2)cs1 ZINC000353153416 375581724 /nfs/dbraw/zinc/58/17/24/375581724.db2.gz NLKJTJACFTWXAT-JTQLQIEISA-N 0 3 256.327 1.764 20 5 CDBDHN COC[C@H](CCO)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344884252 375634257 /nfs/dbraw/zinc/63/42/57/375634257.db2.gz YMCZRFQXUWVAKM-UNJUUPHPSA-N 0 3 294.351 1.985 20 5 CDBDHN C[C@H](CNc1c([N+](=O)[O-])ncn1C)N1CCC[C@@H](C)C1 ZINC000227887620 375642536 /nfs/dbraw/zinc/64/25/36/375642536.db2.gz BEGCHLDNZJIGMX-GHMZBOCLSA-N 0 3 281.360 1.861 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049069998 375876014 /nfs/dbraw/zinc/87/60/14/375876014.db2.gz DQTBAZKSXBFXSK-GFCCVEGCSA-N 0 3 278.312 1.811 20 5 CDBDHN C[C@H]1[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357075150 375882329 /nfs/dbraw/zinc/88/23/29/375882329.db2.gz VIXIHUIUWQKDOO-STQMWFEESA-N 0 3 293.367 1.998 20 5 CDBDHN CN(CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000059490904 375948977 /nfs/dbraw/zinc/94/89/77/375948977.db2.gz GNBLDZHJHOVZKV-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000267069854 376744254 /nfs/dbraw/zinc/74/42/54/376744254.db2.gz KPQDLXFTDFZRSG-MNOVXSKESA-N 0 3 252.318 1.912 20 5 CDBDHN CC1=CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000436267479 249389404 /nfs/dbraw/zinc/38/94/04/249389404.db2.gz CUAKYBLFLRSHBQ-CYBMUJFWSA-N 0 3 292.335 1.987 20 5 CDBDHN C[C@@H](NCCN1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266863368 378074413 /nfs/dbraw/zinc/07/44/13/378074413.db2.gz LSMWYUAZLUDMPW-QWHCGFSZSA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@@H](NC[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173306673 378122787 /nfs/dbraw/zinc/12/27/87/378122787.db2.gz GWHUKJYKIJSBCQ-CHWSQXEVSA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@H](NCCN1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173383393 378306537 /nfs/dbraw/zinc/30/65/37/378306537.db2.gz STJIMPVXQHVUOG-STQMWFEESA-N 0 3 293.367 1.966 20 5 CDBDHN CCc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000266950824 378885319 /nfs/dbraw/zinc/88/53/19/378885319.db2.gz SQBFXEKWSVWHEV-SNVBAGLBSA-N 0 3 279.340 1.837 20 5 CDBDHN Cc1nc(N[C@@H]2CN(C(C)C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450380019 251253764 /nfs/dbraw/zinc/25/37/64/251253764.db2.gz POWXCKIPRFBTNO-GXSJLCMTSA-N 0 3 279.344 1.834 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](N3CCCC3)C2)nc1 ZINC000302123246 285175931 /nfs/dbraw/zinc/17/59/31/285175931.db2.gz VEYUCLDAFRGLLT-SNVBAGLBSA-N 0 3 263.301 1.059 20 5 CDBDHN CO[C@H](C)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000285879437 390186580 /nfs/dbraw/zinc/18/65/80/390186580.db2.gz YOKWPTXCYLXMPQ-LLVKDONJSA-N 0 3 268.313 1.940 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCO)C2)cc1 ZINC000451543743 390631083 /nfs/dbraw/zinc/63/10/83/390631083.db2.gz CLASFCMQDDTGIN-GFCCVEGCSA-N 0 3 250.298 1.767 20 5 CDBDHN CC(C)Oc1cc(C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000411162245 390966137 /nfs/dbraw/zinc/96/61/37/390966137.db2.gz LOWPTBBBIHUCHV-UHFFFAOYSA-N 0 3 295.339 1.673 20 5 CDBDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449276879 391055093 /nfs/dbraw/zinc/05/50/93/391055093.db2.gz DDIUQEBWRLBFMK-VXGBXAGGSA-N 0 3 293.367 1.982 20 5 CDBDHN Cc1ccc(C(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000346237186 391067616 /nfs/dbraw/zinc/06/76/16/391067616.db2.gz ZDJDDFMVZXDNFX-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN COCCCN(C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413176293 391173696 /nfs/dbraw/zinc/17/36/96/391173696.db2.gz RHCFPHXTLUCQBJ-UHFFFAOYSA-N 0 3 286.307 1.509 20 5 CDBDHN CN(C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000152149714 391488557 /nfs/dbraw/zinc/48/85/57/391488557.db2.gz UQLVHTNWFDMQLH-LBPRGKRZSA-N 0 3 295.314 1.439 20 5 CDBDHN CN(C)[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190324355 130089340 /nfs/dbraw/zinc/08/93/40/130089340.db2.gz XQOVKQWERRVXNV-QMMMGPOBSA-N 0 3 256.331 1.582 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190886218 130157429 /nfs/dbraw/zinc/15/74/29/130157429.db2.gz IYBVJMIAXZILTQ-SCDSUCTJSA-N 0 3 280.324 1.188 20 5 CDBDHN C[C@@H](O)CN(CCOc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000190905428 130161248 /nfs/dbraw/zinc/16/12/48/130161248.db2.gz LZVGYMHCGZMLRI-NWDGAFQWSA-N 0 3 298.339 1.037 20 5 CDBDHN Cc1sc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000237473508 131034236 /nfs/dbraw/zinc/03/42/36/131034236.db2.gz CITPOSUKBVYRIR-SFYZADRCSA-N 0 3 283.353 1.787 20 5 CDBDHN C[C@H]1NCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262824973 131265116 /nfs/dbraw/zinc/26/51/16/131265116.db2.gz TVRZWTRFOTXMCS-MNOVXSKESA-N 0 3 277.324 1.346 20 5 CDBDHN CCOC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000459696476 392500207 /nfs/dbraw/zinc/50/02/07/392500207.db2.gz BFKFVAZWTCOWPJ-GFCCVEGCSA-N 0 3 282.344 1.682 20 5 CDBDHN Cc1nc(NCCCN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000268431959 132007817 /nfs/dbraw/zinc/00/78/17/132007817.db2.gz BHPUBYMTOYQUTL-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268528068 132021901 /nfs/dbraw/zinc/02/19/01/132021901.db2.gz WLOODXGNPFANAT-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN COC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268934322 132090630 /nfs/dbraw/zinc/09/06/30/132090630.db2.gz RISNEENERIBABV-WDEREUQCSA-N 0 3 268.313 1.561 20 5 CDBDHN CN(C)C1(CN(C)C(=O)c2cc([N+](=O)[O-])cn2C)CCC1 ZINC000526121886 392946396 /nfs/dbraw/zinc/94/63/96/392946396.db2.gz IBXWLHLTFPMFMA-UHFFFAOYSA-N 0 3 294.355 1.490 20 5 CDBDHN CCCC[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236797379 140245683 /nfs/dbraw/zinc/24/56/83/140245683.db2.gz JEWADMZXGOPIHR-NSHDSACASA-N 0 3 294.355 1.640 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN(CCCCO)C2CC2)n1 ZINC000176246905 148032779 /nfs/dbraw/zinc/03/27/79/148032779.db2.gz DUPIIYWBNXTGEK-UHFFFAOYSA-N 0 3 268.317 1.028 20 5 CDBDHN Cc1ccc(NC(=O)[C@H](N)CC(F)F)cc1[N+](=O)[O-] ZINC000336814011 151720649 /nfs/dbraw/zinc/72/06/49/151720649.db2.gz WDWCFCKAHJNZRS-MRVPVSSYSA-N 0 3 273.239 1.824 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@@H]1C ZINC000349873011 154250846 /nfs/dbraw/zinc/25/08/46/154250846.db2.gz JJMVFXDBFGZNAS-VHSXEESVSA-N 0 3 295.343 1.311 20 5 CDBDHN CSC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285190283 196217153 /nfs/dbraw/zinc/21/71/53/196217153.db2.gz CIJYRJDZDFWXGO-LBPRGKRZSA-N 0 3 284.381 1.793 20 5 CDBDHN CO[C@@H](C)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285353689 196258811 /nfs/dbraw/zinc/25/88/11/196258811.db2.gz VJHNXPJLGYLTJM-DTWKUNHWSA-N 0 3 253.302 1.863 20 5 CDBDHN CCC[C@@]1(NCCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000285491531 196302755 /nfs/dbraw/zinc/30/27/55/196302755.db2.gz IQPWSMBNUPIDGJ-CQSZACIVSA-N 0 3 295.339 1.305 20 5 CDBDHN Cc1nn(C)c(NC[C@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000044563296 175206325 /nfs/dbraw/zinc/20/63/25/175206325.db2.gz GQEBTXJULRHKIT-SNVBAGLBSA-N 0 3 267.333 1.533 20 5 CDBDHN C[C@H](C(=O)NC[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000515401160 270438729 /nfs/dbraw/zinc/43/87/29/270438729.db2.gz MTTUSKHDRHQTPB-SMDDNHRTSA-N 0 3 291.351 1.909 20 5 CDBDHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000038083201 278351782 /nfs/dbraw/zinc/35/17/82/278351782.db2.gz GECCNZUMEILSOM-MNOVXSKESA-N 0 3 298.364 1.680 20 5 CDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1 ZINC000238131360 280199223 /nfs/dbraw/zinc/19/92/23/280199223.db2.gz RLBSBFWRSGRKRM-CYBMUJFWSA-N 0 3 292.339 1.265 20 5 CDBDHN Cc1cnc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000090691998 281628160 /nfs/dbraw/zinc/62/81/60/281628160.db2.gz SSYBXQKSWFDKDD-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)CN(C)C ZINC000154310057 289201625 /nfs/dbraw/zinc/20/16/25/289201625.db2.gz UQTXMLKLYUMEND-WCQYABFASA-N 0 3 281.356 1.476 20 5 CDBDHN CO[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363675379 523972482 /nfs/dbraw/zinc/97/24/82/523972482.db2.gz OESZYUVZYSVEPA-NSHDSACASA-N 0 3 268.317 1.292 20 5 CDBDHN Cc1nc(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000161541097 526998507 /nfs/dbraw/zinc/99/85/07/526998507.db2.gz BBUIGLAHYCUYCW-VXGBXAGGSA-N 0 3 292.339 1.573 20 5 CDBDHN Cc1c(COC(=O)C2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000772538254 575720166 /nfs/dbraw/zinc/72/01/66/575720166.db2.gz YJRXIJVGMGZOGL-NSHDSACASA-N 0 3 292.291 1.425 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CCCO2)c1 ZINC000749650095 576956689 /nfs/dbraw/zinc/95/66/89/576956689.db2.gz ZKOUMEUCBWLZTE-CHWSQXEVSA-N 0 3 266.297 1.397 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2cc(O)cc(Cl)c2)c1 ZINC000893134357 617402627 /nfs/dbraw/zinc/40/26/27/617402627.db2.gz KEAISMMRPWAZES-UHFFFAOYSA-N 0 3 296.714 1.940 20 5 CDBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000892608967 617532816 /nfs/dbraw/zinc/53/28/16/617532816.db2.gz STAOJQHROOAWAZ-ZYHUDNBSSA-N 0 3 298.364 1.508 20 5 CDBDHN CC(COC(=O)C[C@@H]1NC(=O)c2ccccc21)[N+](=O)[O-] ZINC000893045141 618092776 /nfs/dbraw/zinc/09/27/76/618092776.db2.gz PFDMRVLZOIDKBQ-KCJUWKMLSA-N 0 3 278.264 1.070 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@H]2O)cc1Cl ZINC000822504297 618549371 /nfs/dbraw/zinc/54/93/71/618549371.db2.gz RCYCNTNPROHDMP-MWLCHTKSSA-N 0 3 256.689 1.861 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2COCO2)cc1Cl ZINC000894878312 619115145 /nfs/dbraw/zinc/11/51/45/619115145.db2.gz ANPRIESFQQDERK-SECBINFHSA-N 0 3 272.688 1.711 20 5 CDBDHN C[C@H](O)C[C@@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000905158886 626641176 /nfs/dbraw/zinc/64/11/76/626641176.db2.gz LIVRKHFHZCACPU-AAEUAGOBSA-N 0 3 252.314 1.407 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC/C=C\Cl)c1 ZINC000905708737 626935165 /nfs/dbraw/zinc/93/51/65/626935165.db2.gz SNTZLRMNGHKYSX-SRMRHOMVSA-N 0 3 286.715 1.677 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H](O)c2ccco2)cc1 ZINC000914795470 631573569 /nfs/dbraw/zinc/57/35/69/631573569.db2.gz MXJPXRAPQDYBJR-STQMWFEESA-N 0 3 292.291 1.544 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](O)c2ccco2)cc1 ZINC000914795469 631573707 /nfs/dbraw/zinc/57/37/07/631573707.db2.gz MXJPXRAPQDYBJR-QWHCGFSZSA-N 0 3 292.291 1.544 20 5 CDBDHN CC(C)[C@@H]1CN(C)CCN1Cn1nccc1[N+](=O)[O-] ZINC000153656698 631771338 /nfs/dbraw/zinc/77/13/38/631771338.db2.gz JRJZXHJGYNZYJG-NSHDSACASA-N 0 3 267.333 1.021 20 5 CDBDHN C[C@@H](Nc1ccc2c([N+](=O)[O-])c[nH]c2n1)[C@H]1CNCCO1 ZINC001170565321 1162930115 /nfs/dbraw/zinc/93/01/15/1162930115.db2.gz UVZQJDBXVBRIBE-LDYMZIIASA-N 0 3 291.311 1.260 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000815177619 1164112962 /nfs/dbraw/zinc/11/29/62/1164112962.db2.gz RSWUQMZTEVNROK-ZOWXZIJZSA-N 0 3 293.367 1.653 20 5 CDBDHN CCN1CCCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865528404 1164658494 /nfs/dbraw/zinc/65/84/94/1164658494.db2.gz RRFCHSXBQMSSPO-UHFFFAOYSA-N 0 3 297.330 1.758 20 5 CDBDHN C[C@H]1CCC[N@@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590265376 1173327145 /nfs/dbraw/zinc/32/71/45/1173327145.db2.gz SMVPZTVLULNDNH-VIFPVBQESA-N 0 3 288.311 1.759 20 5 CDBDHN C[C@H]1CCC[N@H+]1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001590265376 1173327153 /nfs/dbraw/zinc/32/71/53/1173327153.db2.gz SMVPZTVLULNDNH-VIFPVBQESA-N 0 3 288.311 1.759 20 5 CDBDHN Cc1onc(-c2cccnc2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106303 1163813901 /nfs/dbraw/zinc/81/39/01/1163813901.db2.gz AFXRLLZKIFPKMY-QMMMGPOBSA-N 0 3 291.263 1.867 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)[nH]c(=O)n2C)[N+](=O)[O-] ZINC000813110449 1163815462 /nfs/dbraw/zinc/81/54/62/1163815462.db2.gz AWWBMCONRPQRRG-ZETCQYMHSA-N 0 3 279.252 1.101 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865809286 1164693996 /nfs/dbraw/zinc/69/39/96/1164693996.db2.gz MLUZZCYDGNPGCV-LLVKDONJSA-N 0 3 295.314 1.487 20 5 CDBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000866060550 1164727346 /nfs/dbraw/zinc/72/73/46/1164727346.db2.gz FUVDGKLVEZICMR-LLVKDONJSA-N 0 3 294.355 1.490 20 5 CDBDHN Nc1cc(N[C@@H]2CNCc3ccsc32)ncc1[N+](=O)[O-] ZINC001155560923 1167232137 /nfs/dbraw/zinc/23/21/37/1167232137.db2.gz JMSACQOLOXXYPB-SECBINFHSA-N 0 3 291.336 1.890 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCS(=O)(=O)C1 ZINC001173211195 912330578 /nfs/dbraw/zinc/33/05/78/912330578.db2.gz QYUXJLOUSRZEGP-PWSUYJOCSA-N 0 3 298.364 1.303 20 5 CDBDHN CS(=O)(=O)c1ccc(-n2cccc2CN)c([N+](=O)[O-])c1 ZINC001167600133 896976410 /nfs/dbraw/zinc/97/64/10/896976410.db2.gz HKYGIZMEGRHGSE-UHFFFAOYSA-N 0 3 295.320 1.248 20 5 CDBDHN O=C(NCC1=CCN(C/C=C/Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000676249 936538028 /nfs/dbraw/zinc/53/80/28/936538028.db2.gz ZSPUGXHZTBZSRA-IYODYBDTSA-N 0 3 299.758 1.152 20 5 CDBDHN C[C@@H]1[C@H](O)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832219414 936565470 /nfs/dbraw/zinc/56/54/70/936565470.db2.gz DYFNRPDVFULDOI-OASPWFOLSA-N 0 3 266.297 1.083 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2cnn(C3CCC3)c2)c1 ZINC000921860331 920907715 /nfs/dbraw/zinc/90/77/15/920907715.db2.gz BBUUKXGJXZZVJV-UHFFFAOYSA-N 0 3 290.327 1.503 20 5 CDBDHN CCOCCOCCNCc1cccc([N+](=O)[O-])c1 ZINC000922942775 923383397 /nfs/dbraw/zinc/38/33/97/923383397.db2.gz ZGFDMIAFBOGARN-UHFFFAOYSA-N 0 3 268.313 1.738 20 5 CDBDHN CC(C)(C)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001118579897 924654205 /nfs/dbraw/zinc/65/42/05/924654205.db2.gz YVKKNDFYBOMDPE-UHFFFAOYSA-N 0 3 280.328 1.616 20 5 CDBDHN CN(C)C1(C)CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001165117536 924973251 /nfs/dbraw/zinc/97/32/51/924973251.db2.gz XJYCDIUXEJHETF-UHFFFAOYSA-N 0 3 270.720 1.784 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCN1 ZINC000843467983 937153316 /nfs/dbraw/zinc/15/33/16/937153316.db2.gz MFNGMBPBGDOEKX-GFCCVEGCSA-N 0 3 295.314 1.804 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)CCOC2)[N+](=O)[O-] ZINC000851037082 927504492 /nfs/dbraw/zinc/50/44/92/927504492.db2.gz RDSYDASTLMGOQW-SECBINFHSA-N 0 3 265.265 1.581 20 5 CDBDHN Cc1nc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cs1 ZINC001168958874 927578818 /nfs/dbraw/zinc/57/88/18/927578818.db2.gz QTUVEVUXFGJZEW-NXEZZACHSA-N 0 3 255.343 1.987 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ncccc2F)C1 ZINC001168964764 927586221 /nfs/dbraw/zinc/58/62/21/927586221.db2.gz VYAGVOOSTCDXAT-ZJUUUORDSA-N 0 3 253.277 1.756 20 5 CDBDHN CN(Cc1cnccn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037450 927647027 /nfs/dbraw/zinc/64/70/27/927647027.db2.gz RXABYTJUFFMNAO-JQWIXIFHSA-N 0 3 250.302 1.354 20 5 CDBDHN CCCN(CC(=O)OCC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039706 927649722 /nfs/dbraw/zinc/64/97/22/927649722.db2.gz SNHFKXJKIKBRCU-NWDGAFQWSA-N 0 3 272.345 1.707 20 5 CDBDHN CC1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586352 927749182 /nfs/dbraw/zinc/74/91/82/927749182.db2.gz NBDBWVBDIOSATN-ZDUSSCGKSA-N 0 3 280.324 1.475 20 5 CDBDHN Cc1c(F)cc([N+](=O)[O-])cc1-n1nncc1CN ZINC001169311703 927948449 /nfs/dbraw/zinc/94/84/49/927948449.db2.gz RYPLQWCREJILAM-UHFFFAOYSA-N 0 3 251.221 1.082 20 5 CDBDHN COC[C@H](CO)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000883107521 930142288 /nfs/dbraw/zinc/14/22/88/930142288.db2.gz AYMWQVRHSUJDQO-NSHDSACASA-N 0 3 268.313 1.309 20 5 CDBDHN CC(COC(=O)Cc1nn(C)c2ccccc12)[N+](=O)[O-] ZINC000817739741 930593308 /nfs/dbraw/zinc/59/33/08/930593308.db2.gz OWMUZODPSUMKGJ-SECBINFHSA-N 0 3 277.280 1.324 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@]12C[C@H]1COC2 ZINC000886201495 930825577 /nfs/dbraw/zinc/82/55/77/930825577.db2.gz HAEQSAHWPFBRJP-GSBHKFGHSA-N 0 3 260.293 1.987 20 5 CDBDHN COC[C@@H](NCc1cccnc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886918185 930994707 /nfs/dbraw/zinc/99/47/07/930994707.db2.gz TZLFDHMJEXTXRT-CHWSQXEVSA-N 0 3 295.339 1.521 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)CN1CCCC1 ZINC000822848720 931214341 /nfs/dbraw/zinc/21/43/41/931214341.db2.gz OYBWLNUEZHZSMQ-UHFFFAOYSA-N 0 3 291.351 1.692 20 5 CDBDHN O=[N+]([O-])CCN1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000930092510 933314600 /nfs/dbraw/zinc/31/46/00/933314600.db2.gz ALZXNZXJZSFULZ-GFCCVEGCSA-N 0 3 274.324 1.777 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1COC[C@H]1C ZINC000932495336 933723591 /nfs/dbraw/zinc/72/35/91/933723591.db2.gz ZYSDBMISLURYAS-MFKMUULPSA-N 0 3 293.323 1.466 20 5 CDBDHN C[C@@H]1[C@H](O)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832219416 934803998 /nfs/dbraw/zinc/80/39/98/934803998.db2.gz DYFNRPDVFULDOI-WQAKAFBOSA-N 0 3 266.297 1.083 20 5 CDBDHN C[C@@H]1C[C@H](O)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832717338 935944132 /nfs/dbraw/zinc/94/41/32/935944132.db2.gz FNGRPGGVCBKKQC-SWHYSGLUSA-N 0 3 280.324 1.331 20 5 CDBDHN COc1nc(N2CCN(C(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001158494463 938629833 /nfs/dbraw/zinc/62/98/33/938629833.db2.gz JXCAKBRNACKNRQ-NSHDSACASA-N 0 3 294.355 1.917 20 5 CDBDHN C[C@H](Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@@H]1CNCCO1 ZINC001159498219 938734146 /nfs/dbraw/zinc/73/41/46/938734146.db2.gz KPUCOOCPNMKFPA-KWQFWETISA-N 0 3 291.311 1.260 20 5 CDBDHN COC(=O)[C@H](O[C@@H]1CCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638878 941689239 /nfs/dbraw/zinc/68/92/39/941689239.db2.gz ABWVCUZTILHDEE-ZWNOBZJWSA-N 0 3 294.307 1.530 20 5 CDBDHN CCN1CCC(Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)CC1 ZINC001230230695 942593610 /nfs/dbraw/zinc/59/36/10/942593610.db2.gz ZSZKTLFJGSBRQI-UHFFFAOYSA-N 0 3 291.311 1.729 20 5 CDBDHN NCc1cncn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254567019 947527363 /nfs/dbraw/zinc/52/73/63/947527363.db2.gz MLGHKWTZRYMHAY-LBPRGKRZSA-N 0 3 258.281 1.590 20 5 CDBDHN CN(C)C1(C)CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604277 947553093 /nfs/dbraw/zinc/55/30/93/947553093.db2.gz UIQIYPTXACQBIT-AWEZNQCLSA-N 0 3 275.352 1.698 20 5 CDBDHN O=C1C[C@H](CN2CCc3ccc([N+](=O)[O-])cc3C2)CN1 ZINC001327511010 954912747 /nfs/dbraw/zinc/91/27/47/954912747.db2.gz ABQNUHOIDFUHIT-JTQLQIEISA-N 0 3 275.308 1.089 20 5 CDBDHN CC(COC(=O)c1cc2ncccc2o1)[N+](=O)[O-] ZINC001348532625 966044706 /nfs/dbraw/zinc/04/47/06/966044706.db2.gz GAWGJNFHRNGGPL-SSDOTTSWSA-N 0 3 250.210 1.650 20 5 CDBDHN Cc1cc(N[C@@H]2CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC000092026737 1174351837 /nfs/dbraw/zinc/35/18/37/1174351837.db2.gz UOLXZKOYRFEJJM-LLVKDONJSA-N 0 3 262.313 1.804 20 5 CDBDHN O=[N+]([O-])c1ccc(CN(CCc2cn[nH]n2)C2CC2)cc1 ZINC000590605869 342578135 /nfs/dbraw/zinc/57/81/35/342578135.db2.gz RDXZNXNVTDBNRN-UHFFFAOYSA-N 0 3 287.323 1.920 20 5 CDBDHN O=[N+]([O-])c1ccc(CN(CCc2c[nH]nn2)C2CC2)cc1 ZINC000590605869 342578136 /nfs/dbraw/zinc/57/81/36/342578136.db2.gz RDXZNXNVTDBNRN-UHFFFAOYSA-N 0 3 287.323 1.920 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000457198723 365631545 /nfs/dbraw/zinc/63/15/45/365631545.db2.gz BNPAZZIJKDQJEX-UHFFFAOYSA-N 0 3 295.339 1.430 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1C[C@H](F)CN1 ZINC000591281638 342624310 /nfs/dbraw/zinc/62/43/10/342624310.db2.gz HDVJNGMMOZLZHQ-QWRGUYRKSA-N 0 3 253.277 1.384 20 5 CDBDHN O=C1NCCC[C@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516799 342917225 /nfs/dbraw/zinc/91/72/25/342917225.db2.gz FKKAEOKRRBVCDF-GWCFXTLKSA-N 0 3 289.335 1.698 20 5 CDBDHN [NH3+]CCSCc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594652008 342933347 /nfs/dbraw/zinc/93/33/47/342933347.db2.gz IIVRAAAWPMIEKF-UHFFFAOYSA-N 0 3 295.324 1.073 20 5 CDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCCC[C@H]1C ZINC000076744864 342324664 /nfs/dbraw/zinc/32/46/64/342324664.db2.gz LUGOMAJAPDISMB-ZJUUUORDSA-N 0 3 294.359 1.642 20 5 CDBDHN CC[C@H](NC)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595923124 343192574 /nfs/dbraw/zinc/19/25/74/343192574.db2.gz QHHLERQSIBWFFN-NSHDSACASA-N 0 3 263.297 1.482 20 5 CDBDHN O=c1[n-]ccc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000596212903 343268236 /nfs/dbraw/zinc/26/82/36/343268236.db2.gz NUZYJPSHIMHRPN-UHFFFAOYSA-N 0 3 292.339 1.982 20 5 CDBDHN C[C@H]1CCN[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000126643097 187252821 /nfs/dbraw/zinc/25/28/21/187252821.db2.gz RFPPPZSJAKSYIU-WCQYABFASA-N 0 3 291.351 1.941 20 5 CDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596447838 343323959 /nfs/dbraw/zinc/32/39/59/343323959.db2.gz VPIZEFXSFRMQRJ-VIFPVBQESA-N 0 3 280.328 1.526 20 5 CDBDHN COC[C@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000382541793 362163625 /nfs/dbraw/zinc/16/36/25/362163625.db2.gz BDPKVMFWXYHNSU-ZWNOBZJWSA-N 0 3 268.313 1.643 20 5 CDBDHN Cc1ccc([C@@H](C)NCC2(CO)COC2)cc1[N+](=O)[O-] ZINC000090606385 342396743 /nfs/dbraw/zinc/39/67/43/342396743.db2.gz CUTNESQFINCQQW-LLVKDONJSA-N 0 3 280.324 1.563 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCN1CC[C@H](O)C1 ZINC000599093032 343952594 /nfs/dbraw/zinc/95/25/94/343952594.db2.gz MVGYBUJGXXYEMG-FZMZJTMJSA-N 0 3 291.351 1.238 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(C2CC2)C2CC2)c1 ZINC000599595185 344088968 /nfs/dbraw/zinc/08/89/68/344088968.db2.gz SVTGQIPVMCXDEQ-AWEZNQCLSA-N 0 3 292.335 1.961 20 5 CDBDHN CCN[C@H](C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000602436898 344415934 /nfs/dbraw/zinc/41/59/34/344415934.db2.gz AFPCDZYWMPXQNC-SNVBAGLBSA-N 0 3 280.328 1.121 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCOC(C)(C)C ZINC000602786981 344599902 /nfs/dbraw/zinc/59/99/02/344599902.db2.gz YQBKHJJSARLSBE-UHFFFAOYSA-N 0 3 284.360 1.847 20 5 CDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000609876484 346030064 /nfs/dbraw/zinc/03/00/64/346030064.db2.gz AXOAJQCAODNBSV-JTQLQIEISA-N 0 3 295.343 1.231 20 5 CDBDHN CCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611092376 346606253 /nfs/dbraw/zinc/60/62/53/346606253.db2.gz RTTQHFVVLXMRKT-ZDUSSCGKSA-N 0 3 293.367 2.000 20 5 CDBDHN Cc1nc(N2CC[C@H](OCCN(C)C)C2)ccc1[N+](=O)[O-] ZINC000611132832 346617208 /nfs/dbraw/zinc/61/72/08/346617208.db2.gz UEXUTMDAIMUHSJ-LBPRGKRZSA-N 0 3 294.355 1.455 20 5 CDBDHN C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336965 346751406 /nfs/dbraw/zinc/75/14/06/346751406.db2.gz UNNRTDOLHPCPLL-SLEUVZQESA-N 0 3 293.367 1.965 20 5 CDBDHN C[C@@H]1CCN[C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000127121513 348231702 /nfs/dbraw/zinc/23/17/02/348231702.db2.gz DBDPIQLGRZTXNQ-ZWNOBZJWSA-N 0 3 277.324 1.599 20 5 CDBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000045913724 348781051 /nfs/dbraw/zinc/78/10/51/348781051.db2.gz WEGYXSSVVWFKKT-UHFFFAOYSA-N 0 3 283.328 1.848 20 5 CDBDHN Cc1n[nH]c(C(=O)NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000064336905 348938922 /nfs/dbraw/zinc/93/89/22/348938922.db2.gz BMDKGANTWMJUIF-UHFFFAOYSA-N 0 3 295.343 1.088 20 5 CDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC000271281377 191047822 /nfs/dbraw/zinc/04/78/22/191047822.db2.gz CMWCDWJDISKRGE-RYUDHWBXSA-N 0 3 296.396 1.780 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000109849864 186277620 /nfs/dbraw/zinc/27/76/20/186277620.db2.gz YRLUHUKXWIQVOH-JTQLQIEISA-N 0 3 263.297 1.276 20 5 CDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000619786105 350847993 /nfs/dbraw/zinc/84/79/93/350847993.db2.gz FHPARDDWHXAEGT-SNVBAGLBSA-N 0 3 293.327 1.018 20 5 CDBDHN CCC[C@@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353470899 363039946 /nfs/dbraw/zinc/03/99/46/363039946.db2.gz LLFLZAPSASRRLR-SNVBAGLBSA-N 0 3 281.312 1.347 20 5 CDBDHN COC[C@H](O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000153721547 188099039 /nfs/dbraw/zinc/09/90/39/188099039.db2.gz VCOHFSKRSIMOHP-LLVKDONJSA-N 0 3 284.312 1.090 20 5 CDBDHN CC[C@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000153824965 188106021 /nfs/dbraw/zinc/10/60/21/188106021.db2.gz DCNYBNAKPUDAKX-JTQLQIEISA-N 0 3 281.268 1.057 20 5 CDBDHN CN(CCOc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000157358505 188312028 /nfs/dbraw/zinc/31/20/28/188312028.db2.gz HBUVGQSDFSUDOT-UHFFFAOYSA-N 0 3 290.323 1.802 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCN2CC=CCC2)c1 ZINC000279843422 363320821 /nfs/dbraw/zinc/32/08/21/363320821.db2.gz RDVDOHLBYOFBBE-UHFFFAOYSA-N 0 3 261.325 1.946 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236716318 363393313 /nfs/dbraw/zinc/39/33/13/363393313.db2.gz DIJIWVJSWDXKQX-GFCCVEGCSA-N 0 3 279.340 1.627 20 5 CDBDHN Cc1ccnc(NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000271787073 191326162 /nfs/dbraw/zinc/32/61/62/191326162.db2.gz INGHPXYWGYYONM-UHFFFAOYSA-N 0 3 262.313 1.972 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CNCCO2)c(Cl)c1 ZINC000236051862 140238803 /nfs/dbraw/zinc/23/88/03/140238803.db2.gz YRQYJZPANNDPHD-MRVPVSSYSA-N 0 3 272.692 1.044 20 5 CDBDHN COC(=O)c1cnc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000286545110 357020173 /nfs/dbraw/zinc/02/01/73/357020173.db2.gz VWSUHJFZDGWBNX-QMMMGPOBSA-N 0 3 282.300 1.138 20 5 CDBDHN CCN1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000286757350 357988064 /nfs/dbraw/zinc/98/80/64/357988064.db2.gz ZCNUQQBGEXWFIH-ZDUSSCGKSA-N 0 3 293.367 2.000 20 5 CDBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000286885311 358023824 /nfs/dbraw/zinc/02/38/24/358023824.db2.gz AMUQEFYFHVIJIO-SNVBAGLBSA-N 0 3 293.327 1.065 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000080393482 358096258 /nfs/dbraw/zinc/09/62/58/358096258.db2.gz WIXUPMVRRHJWTR-UHFFFAOYSA-N 0 3 294.355 1.294 20 5 CDBDHN C[C@@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588396 358219998 /nfs/dbraw/zinc/21/99/98/358219998.db2.gz VULJCSLTMYFXLP-NOZJJQNGSA-N 0 3 250.298 1.943 20 5 CDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000361657646 358403244 /nfs/dbraw/zinc/40/32/44/358403244.db2.gz DDOBPDXNGPJMIM-ZYHUDNBSSA-N 0 3 250.298 1.655 20 5 CDBDHN CC1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000341596216 358680671 /nfs/dbraw/zinc/68/06/71/358680671.db2.gz DYCNDGCUUFZQJN-UHFFFAOYSA-N 0 3 279.340 1.879 20 5 CDBDHN CNC(=O)C(C)(C)CNCc1ccccc1[N+](=O)[O-] ZINC000120334685 358754833 /nfs/dbraw/zinc/75/48/33/358754833.db2.gz FIBSGBODLXCMQK-UHFFFAOYSA-N 0 3 265.313 1.457 20 5 CDBDHN O=C(NCCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000072906340 358878585 /nfs/dbraw/zinc/87/85/85/358878585.db2.gz MYYYZKNVTBIMGW-UHFFFAOYSA-N 0 3 263.297 1.420 20 5 CDBDHN COc1ccc(CN[C@H](C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342206186 358967139 /nfs/dbraw/zinc/96/71/39/358967139.db2.gz PXTHZEUKZUEDLP-RKDXNWHRSA-N 0 3 254.286 1.462 20 5 CDBDHN C[C@@H]1[C@@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000385839493 360358108 /nfs/dbraw/zinc/35/81/08/360358108.db2.gz VNUSRCLBKBVCGK-ZYHUDNBSSA-N 0 3 250.298 1.798 20 5 CDBDHN CNC(=O)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298697736 200508447 /nfs/dbraw/zinc/50/84/47/200508447.db2.gz OEGNILWVFNQOSB-ZJUUUORDSA-N 0 3 265.313 1.770 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2C)n1 ZINC000178185661 189096163 /nfs/dbraw/zinc/09/61/63/189096163.db2.gz CYVYLISLSCRHNS-SNVBAGLBSA-N 0 3 250.302 1.804 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@]1(O)CCOC1 ZINC000179024235 189162455 /nfs/dbraw/zinc/16/24/55/189162455.db2.gz QKSUUBRZSXSTHR-LBPRGKRZSA-N 0 3 286.715 1.489 20 5 CDBDHN Cc1nn(C)c(N2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000575132448 360878470 /nfs/dbraw/zinc/87/84/70/360878470.db2.gz OUPSHVABFHNCPL-JTQLQIEISA-N 0 3 293.371 1.557 20 5 CDBDHN COC(CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)OC ZINC000365504168 363805568 /nfs/dbraw/zinc/80/55/68/363805568.db2.gz BMIJAGQAOBRWRF-UHFFFAOYSA-N 0 3 284.316 1.047 20 5 CDBDHN CNC(=O)C(C)(C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000120113037 363916460 /nfs/dbraw/zinc/91/64/60/363916460.db2.gz DDVPZCBZMLCPQT-UHFFFAOYSA-N 0 3 265.313 1.457 20 5 CDBDHN CN(C)[C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000170863081 364415744 /nfs/dbraw/zinc/41/57/44/364415744.db2.gz IYMWEFCPKMBCND-UZYOAWRESA-N 0 3 289.335 1.771 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3cccnc3)C2)n1 ZINC000564208606 365389973 /nfs/dbraw/zinc/38/99/73/365389973.db2.gz MHMHENREKSMFMY-ZDUSSCGKSA-N 0 3 287.323 1.676 20 5 CDBDHN CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000271015697 366954110 /nfs/dbraw/zinc/95/41/10/366954110.db2.gz RCKDYJFYOSSGLY-FNORWQNLSA-N 0 3 250.298 1.922 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000139516426 368623645 /nfs/dbraw/zinc/62/36/45/368623645.db2.gz LBDCBGFNPGWIRY-GFCCVEGCSA-N 0 3 292.339 1.488 20 5 CDBDHN C[C@H]1[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCCN1C ZINC000420613694 244280640 /nfs/dbraw/zinc/28/06/40/244280640.db2.gz SMELXBACSPNITA-GXSJLCMTSA-N 0 3 292.339 1.588 20 5 CDBDHN COC(=O)c1cnc(NC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000276587723 193391035 /nfs/dbraw/zinc/39/10/35/193391035.db2.gz PPAQUIZQHRTHNI-QMMMGPOBSA-N 0 3 282.300 1.138 20 5 CDBDHN Cc1c(NC(=O)[C@@H](C)NC2CC2)cccc1[N+](=O)[O-] ZINC000295718988 370589583 /nfs/dbraw/zinc/58/95/83/370589583.db2.gz NJKAJCUUGJMYBC-SECBINFHSA-N 0 3 263.297 1.982 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N(C)C ZINC000298426428 373599695 /nfs/dbraw/zinc/59/96/95/373599695.db2.gz XNZSKQJUPZGTIY-JTQLQIEISA-N 0 3 280.328 1.975 20 5 CDBDHN C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1 ZINC000420201747 374292293 /nfs/dbraw/zinc/29/22/93/374292293.db2.gz NICLACVXLHXWGC-SECBINFHSA-N 0 3 289.295 1.443 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCCn2cccn2)c1 ZINC000067186391 374398142 /nfs/dbraw/zinc/39/81/42/374398142.db2.gz LWSMLSNPBQAZJX-UHFFFAOYSA-N 0 3 260.297 1.971 20 5 CDBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC1 ZINC000117333270 374533855 /nfs/dbraw/zinc/53/38/55/374533855.db2.gz UUOHOJBLIJNVSV-UHFFFAOYSA-N 0 3 291.307 1.989 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)[C@@]2(F)CCNC2)cc1[N+](=O)[O-] ZINC000376694460 374565768 /nfs/dbraw/zinc/56/57/68/374565768.db2.gz HNANICHNXRXGGD-QMTHXVAHSA-N 0 3 295.314 1.782 20 5 CDBDHN Cn1cc(CCNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000069786623 374615428 /nfs/dbraw/zinc/61/54/28/374615428.db2.gz CGRAPYGKZYTVIZ-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN C[C@]1(C(N)=O)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000280827803 375025864 /nfs/dbraw/zinc/02/58/64/375025864.db2.gz VRDJPPLFOCSONF-AWEZNQCLSA-N 0 3 293.323 1.171 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)C2CC2)c1 ZINC000353075410 375574836 /nfs/dbraw/zinc/57/48/36/375574836.db2.gz XNWPXHDVHHTVOH-GFCCVEGCSA-N 0 3 250.298 1.703 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000353486317 375616525 /nfs/dbraw/zinc/61/65/25/375616525.db2.gz XHLGCALALCWTBI-UHFFFAOYSA-N 0 3 250.298 1.942 20 5 CDBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)C[C@H]1C ZINC000354601893 375732099 /nfs/dbraw/zinc/73/20/99/375732099.db2.gz WHOLDMWNQRPCDE-GHMZBOCLSA-N 0 3 279.344 1.694 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)CC(F)F)cc1 ZINC000428637580 247339156 /nfs/dbraw/zinc/33/91/56/247339156.db2.gz DENPREHMEJUGJE-SECBINFHSA-N 0 3 260.240 1.701 20 5 CDBDHN C[C@@H](NC[C@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258329 375959879 /nfs/dbraw/zinc/95/98/79/375959879.db2.gz SXUXUVWNEVBUHP-BXUZGUMPSA-N 0 3 279.340 1.312 20 5 CDBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000358340742 375962042 /nfs/dbraw/zinc/96/20/42/375962042.db2.gz HASBDBXPTOHSRX-VIFPVBQESA-N 0 3 283.303 1.343 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN2C)c1 ZINC000194687705 375949405 /nfs/dbraw/zinc/94/94/05/375949405.db2.gz SUTMVOUHDQBXAA-SNVBAGLBSA-N 0 3 293.323 1.427 20 5 CDBDHN CCc1n[nH]c(C(=O)NC[C@H](C)N(C)C2CC2)c1[N+](=O)[O-] ZINC000171808598 377055326 /nfs/dbraw/zinc/05/53/26/377055326.db2.gz ZGVHFWGUFRDTKX-QMMMGPOBSA-N 0 3 295.343 1.093 20 5 CDBDHN Cc1nc(NC[C@@H](C)N2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450255453 251195027 /nfs/dbraw/zinc/19/50/27/251195027.db2.gz BSWNSRWFUSUOTQ-WDEREUQCSA-N 0 3 293.371 1.790 20 5 CDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000288244393 197035494 /nfs/dbraw/zinc/03/54/94/197035494.db2.gz FUXRWRLMZZMEHS-QWRGUYRKSA-N 0 3 292.339 1.622 20 5 CDBDHN CC1(C)CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1 ZINC000261621565 390477920 /nfs/dbraw/zinc/47/79/20/390477920.db2.gz AFOLTRTWORNVKK-UHFFFAOYSA-N 0 3 293.352 1.788 20 5 CDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CN(C)C ZINC000346179276 391055380 /nfs/dbraw/zinc/05/53/80/391055380.db2.gz AUVOHINUDJPXSD-SNVBAGLBSA-N 0 3 295.339 1.673 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204359 391295944 /nfs/dbraw/zinc/29/59/44/391295944.db2.gz JLDXIYSPELGGQX-LDYMZIIASA-N 0 3 295.364 1.869 20 5 CDBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1 ZINC000567904400 391547239 /nfs/dbraw/zinc/54/72/39/391547239.db2.gz HTGLXOSXRPAJCN-CYBMUJFWSA-N 0 3 293.323 1.232 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000186739230 391578451 /nfs/dbraw/zinc/57/84/51/391578451.db2.gz DPDMENXHYROZDA-UHFFFAOYSA-N 0 3 277.324 1.761 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCC1(CO)CCC1 ZINC000184357761 391931556 /nfs/dbraw/zinc/93/15/56/391931556.db2.gz RPJUZOHJAZYNKB-UHFFFAOYSA-N 0 3 250.298 1.847 20 5 CDBDHN CC(COC(=O)C1(NC(=O)OC(C)(C)C)CC1)[N+](=O)[O-] ZINC000496896387 392597895 /nfs/dbraw/zinc/59/78/95/392597895.db2.gz YAIBETSYMXSQQG-QMMMGPOBSA-N 0 3 288.300 1.252 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1CCO ZINC000426263004 393039795 /nfs/dbraw/zinc/03/97/95/393039795.db2.gz HUFFECOUGCHYAH-LBPRGKRZSA-N 0 3 280.324 1.820 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000531567963 393063396 /nfs/dbraw/zinc/06/33/96/393063396.db2.gz OOYVYJPYXSPKSH-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN COC[C@H](CCO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447541592 393115655 /nfs/dbraw/zinc/11/56/55/393115655.db2.gz MZXFBXVYMXGTCF-SWLSCSKDSA-N 0 3 294.351 1.959 20 5 CDBDHN COc1nccc(CNCCc2ccccc2[N+](=O)[O-])n1 ZINC000449166826 393131934 /nfs/dbraw/zinc/13/19/34/393131934.db2.gz GJEIIOOQIDPTAA-UHFFFAOYSA-N 0 3 288.307 1.726 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237054442 140250632 /nfs/dbraw/zinc/25/06/32/140250632.db2.gz RXUVXBGLXIZDDD-IINYFYTJSA-N 0 3 291.351 1.853 20 5 CDBDHN O=[N+]([O-])c1ccccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252666949 140321442 /nfs/dbraw/zinc/32/14/42/140321442.db2.gz DFQYHFAXGACCSP-NWDGAFQWSA-N 0 3 277.324 1.870 20 5 CDBDHN CCOc1ccc([C@H](C)N[C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000349243388 154073079 /nfs/dbraw/zinc/07/30/79/154073079.db2.gz BWETXKMRWGIZLX-UWVGGRQHSA-N 0 3 295.339 1.908 20 5 CDBDHN COc1ccc(CNC[C@@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000353702653 156024691 /nfs/dbraw/zinc/02/46/91/156024691.db2.gz JYTBYIAQYDHDBA-NWDGAFQWSA-N 0 3 296.323 1.233 20 5 CDBDHN CC[C@@H](NCCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000289912302 270318935 /nfs/dbraw/zinc/31/89/35/270318935.db2.gz NLXODOKBCAEFEZ-CYBMUJFWSA-N 0 3 292.339 1.661 20 5 CDBDHN CN(C)C1(CNCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000397778397 270351032 /nfs/dbraw/zinc/35/10/32/270351032.db2.gz OAYVXVSGYRVUBI-UHFFFAOYSA-N 0 3 267.304 1.918 20 5 CDBDHN C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCN1 ZINC000420201748 274597663 /nfs/dbraw/zinc/59/76/63/274597663.db2.gz NICLACVXLHXWGC-VIFPVBQESA-N 0 3 289.295 1.443 20 5 CDBDHN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCCNCC1 ZINC000034938080 275012253 /nfs/dbraw/zinc/01/22/53/275012253.db2.gz PSLRMXKVTKLUHD-UHFFFAOYSA-N 0 3 283.715 1.684 20 5 CDBDHN CN(C)CCN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492073914 276785996 /nfs/dbraw/zinc/78/59/96/276785996.db2.gz XFQUZUUGBCEOFF-FPLPWBNLSA-N 0 3 277.324 1.628 20 5 CDBDHN C[C@H](NC[C@]1(C)CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000453418672 278265601 /nfs/dbraw/zinc/26/56/01/278265601.db2.gz YQIRXOGIQVWHKN-HZMBPMFUSA-N 0 3 277.324 1.914 20 5 CDBDHN C[C@@H](O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450570520 278391972 /nfs/dbraw/zinc/39/19/72/278391972.db2.gz PFQWZQOHYJRNQK-GHMZBOCLSA-N 0 3 280.328 1.247 20 5 CDBDHN C[C@H](NCCN1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451103349 279470343 /nfs/dbraw/zinc/47/03/43/279470343.db2.gz NEJRZSQNRPEVAZ-OLZOCXBDSA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@H](N[C@@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])cc1 ZINC000111015469 279503518 /nfs/dbraw/zinc/50/35/18/279503518.db2.gz IEWKTEFDDQFKSC-GXSJLCMTSA-N 0 3 263.297 1.524 20 5 CDBDHN CN[C@@H](C)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000571775829 294504193 /nfs/dbraw/zinc/50/41/93/294504193.db2.gz JROBUOACFQNNEK-NSHDSACASA-N 0 3 294.355 1.429 20 5 CDBDHN COC[C@H](O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575881615 317034105 /nfs/dbraw/zinc/03/41/05/317034105.db2.gz XFHRNXOXWFLUJJ-MFKMUULPSA-N 0 3 280.324 1.569 20 5 CDBDHN Cc1ccnc(N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000579674461 324248249 /nfs/dbraw/zinc/24/82/49/324248249.db2.gz LPSPGKHYTSWYGO-MNOVXSKESA-N 0 3 262.313 1.439 20 5 CDBDHN O=C1CCCN1CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582072965 324899060 /nfs/dbraw/zinc/89/90/60/324899060.db2.gz ODGGIXDJGLCPEK-ZDUSSCGKSA-N 0 3 289.335 1.794 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H]1CCC[C@@H]1F ZINC000582661420 325018634 /nfs/dbraw/zinc/01/86/34/325018634.db2.gz ZBXSISHQJAUSOK-GRYCIOLGSA-N 0 3 298.314 1.815 20 5 CDBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000054132787 1159923788 /nfs/dbraw/zinc/92/37/88/1159923788.db2.gz XTSNMYIQWIIFCQ-UHFFFAOYSA-N 0 3 278.312 1.003 20 5 CDBDHN O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168966588 1161995717 /nfs/dbraw/zinc/99/57/17/1161995717.db2.gz JPJNNALBVSIREE-AAEUAGOBSA-N 0 3 262.309 1.904 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943174 518960201 /nfs/dbraw/zinc/96/02/01/518960201.db2.gz NIZOMGYNQVNSGL-LLVKDONJSA-N 0 3 265.313 1.584 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000081554084 524080520 /nfs/dbraw/zinc/08/05/20/524080520.db2.gz XXYKKXNXOVLBGM-NSHDSACASA-N 0 3 295.339 1.288 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCCO)C2)nc1 ZINC000304334381 534882628 /nfs/dbraw/zinc/88/26/28/534882628.db2.gz WKEVTAJCAFPFMV-LLVKDONJSA-N 0 3 280.328 1.249 20 5 CDBDHN CC(C)[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833735 535206694 /nfs/dbraw/zinc/20/66/94/535206694.db2.gz BLAOOCAKWQVPIN-LLVKDONJSA-N 0 3 285.731 1.848 20 5 CDBDHN COC[C@@H](CCO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000219129643 536609652 /nfs/dbraw/zinc/60/96/52/536609652.db2.gz ZIOAMVKJDIBCFT-GFCCVEGCSA-N 0 3 268.313 1.390 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC1CC(OC)C1 ZINC000221107509 536955594 /nfs/dbraw/zinc/95/55/94/536955594.db2.gz OKUMZFJQOHMKAX-UHFFFAOYSA-N 0 3 266.297 1.870 20 5 CDBDHN CCn1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000732569794 575091691 /nfs/dbraw/zinc/09/16/91/575091691.db2.gz OBOSYBSEOHUNHT-CQSZACIVSA-N 0 3 290.323 1.634 20 5 CDBDHN CC(C)[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000733167660 575102840 /nfs/dbraw/zinc/10/28/40/575102840.db2.gz YDEKJHHPBZCKMW-ZDUSSCGKSA-N 0 3 279.340 1.911 20 5 CDBDHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000766184447 576084353 /nfs/dbraw/zinc/08/43/53/576084353.db2.gz PIPQNKCOZMHWRC-QMTHXVAHSA-N 0 3 290.323 1.713 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(CCO)CC2)c1 ZINC000750067755 576974747 /nfs/dbraw/zinc/97/47/47/576974747.db2.gz RIDJSYKRKGZREE-OAHLLOKOSA-N 0 3 294.351 1.723 20 5 CDBDHN COc1cc(OC)c(C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813108276 617345229 /nfs/dbraw/zinc/34/52/29/617345229.db2.gz XCCWKQQZWAPCKL-QMMMGPOBSA-N 0 3 299.279 1.534 20 5 CDBDHN CN(C)[C@@H](CNCC[N+](=O)[O-])c1cccc(F)c1 ZINC000899858721 622485436 /nfs/dbraw/zinc/48/54/36/622485436.db2.gz ACQCNXVAOQSWSC-LBPRGKRZSA-N 0 3 255.293 1.295 20 5 CDBDHN CC[C@@H](CO)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000916570420 632017341 /nfs/dbraw/zinc/01/73/41/632017341.db2.gz CCMHJLHDGMOYNV-JTQLQIEISA-N 0 3 281.312 1.202 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)n1 ZINC001158349992 1162906393 /nfs/dbraw/zinc/90/63/93/1162906393.db2.gz GHUYKXDXMAIRCM-VIFPVBQESA-N 0 3 261.285 1.812 20 5 CDBDHN Cc1cccc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170567746 1162949785 /nfs/dbraw/zinc/94/97/85/1162949785.db2.gz LTWPKYOQMQRNED-PWSUYJOCSA-N 0 3 265.313 1.692 20 5 CDBDHN C[C@@]1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001573622346 1170711402 /nfs/dbraw/zinc/71/14/02/1170711402.db2.gz NEVGXVJLRUODQZ-GFCCVEGCSA-N 0 3 299.277 1.555 20 5 CDBDHN C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000401338578 1186411837 /nfs/dbraw/zinc/41/18/37/1186411837.db2.gz QLZYEHADPKIJOI-CIUDSAMLSA-N 0 3 266.301 1.134 20 5 CDBDHN CC(C)OCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124424779 917348294 /nfs/dbraw/zinc/34/82/94/917348294.db2.gz AMBSLYJCHOPMSZ-UHFFFAOYSA-N 0 3 295.339 1.226 20 5 CDBDHN COC(=O)N(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000689583636 936771013 /nfs/dbraw/zinc/77/10/13/936771013.db2.gz CUZBKHXJJAKRAU-UHFFFAOYSA-N 0 3 267.285 1.383 20 5 CDBDHN COc1cnc(N(C)CCN2CCCC2)c([N+](=O)[O-])c1 ZINC001165140537 924982690 /nfs/dbraw/zinc/98/26/90/924982690.db2.gz OTNSNZVIMQBRMN-UHFFFAOYSA-N 0 3 280.328 1.530 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@@H](F)C[C@H](CO)C2)C1 ZINC001169006007 927609540 /nfs/dbraw/zinc/60/95/40/927609540.db2.gz FDNANJPNVGNLMU-RHYQMDGZSA-N 0 3 260.309 1.084 20 5 CDBDHN COC(=O)[C@@]1(C)CCCN1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011971 927618214 /nfs/dbraw/zinc/61/82/14/927618214.db2.gz OCHAYBXDCCZFEC-DMDPSCGWSA-N 0 3 270.329 1.459 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCCCC23COC3)C1 ZINC001169037255 927648192 /nfs/dbraw/zinc/64/81/92/927648192.db2.gz RLWNXAVLEYRTJR-RYUDHWBXSA-N 0 3 254.330 1.687 20 5 CDBDHN COC(=O)[C@@H](C)CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579241 927753755 /nfs/dbraw/zinc/75/37/55/927753755.db2.gz KGBNIQBQIZFRTI-GXFFZTMASA-N 0 3 296.323 1.369 20 5 CDBDHN CC(C)(F)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154100979 937503847 /nfs/dbraw/zinc/50/38/47/937503847.db2.gz BFZRUIDSLRKBJT-UHFFFAOYSA-N 0 3 297.330 1.939 20 5 CDBDHN CCOc1nc(-n2nccc2CN)ccc1[N+](=O)[O-] ZINC001155125361 937639213 /nfs/dbraw/zinc/63/92/13/937639213.db2.gz WPGOKKLCJGDGMX-UHFFFAOYSA-N 0 3 263.257 1.033 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@H](C1)CCCN2C ZINC001157259874 938470289 /nfs/dbraw/zinc/47/02/89/938470289.db2.gz GQOAMDGACZCCCQ-AAEUAGOBSA-N 0 3 276.340 1.829 20 5 CDBDHN CN1CCC[C@@H]2CN(c3cc([N+](=O)[O-])ccn3)C[C@@H]21 ZINC001157259717 938470548 /nfs/dbraw/zinc/47/05/48/938470548.db2.gz FSDQAQRPNISPLK-PWSUYJOCSA-N 0 3 262.313 1.520 20 5 CDBDHN Cc1ccnc(-n2cnc3c2CNCC3)c1[N+](=O)[O-] ZINC001164310290 939451243 /nfs/dbraw/zinc/45/12/43/939451243.db2.gz OMVXUYDEBCAVRT-UHFFFAOYSA-N 0 3 259.269 1.130 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(N(C)CCN2CCCC2)n1 ZINC001165140521 939516473 /nfs/dbraw/zinc/51/64/73/939516473.db2.gz ODUPMHMBHBGRSG-UHFFFAOYSA-N 0 3 265.317 1.225 20 5 CDBDHN CCN1CCC(Oc2ncccc2[N+](=O)[O-])CC1 ZINC001225593242 941885478 /nfs/dbraw/zinc/88/54/78/941885478.db2.gz LUXJFJSARKEWQN-UHFFFAOYSA-N 0 3 251.286 1.853 20 5 CDBDHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC001303798446 956121228 /nfs/dbraw/zinc/12/12/28/956121228.db2.gz BDJRPEISQKOJQJ-KOLCDFICSA-N 0 3 292.339 1.308 20 5 CDBDHN CC[C@@]1(NCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000616865973 342568110 /nfs/dbraw/zinc/56/81/10/342568110.db2.gz DHRXRTGISHOOLS-CQSZACIVSA-N 0 3 293.323 1.352 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000117202932 342621786 /nfs/dbraw/zinc/62/17/86/342621786.db2.gz QNXXGNKEFSLXCK-HUUCEWRRSA-N 0 3 291.351 1.630 20 5 CDBDHN C[C@H](CCO)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109514 342769297 /nfs/dbraw/zinc/76/92/97/342769297.db2.gz ZHMMGTGDUYYDRD-VXGBXAGGSA-N 0 3 298.339 1.037 20 5 CDBDHN CCN1CCC[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341591750 539038995 /nfs/dbraw/zinc/03/89/95/539038995.db2.gz JOCBIWQDQZVUES-SNVBAGLBSA-N 0 3 292.339 1.590 20 5 CDBDHN Cn1nnc2c1CC[C@H](NCc1ccc([N+](=O)[O-])cc1)C2 ZINC000594513733 342912847 /nfs/dbraw/zinc/91/28/47/342912847.db2.gz GVTZNYQPZOLTQF-NSHDSACASA-N 0 3 287.323 1.370 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420483 342903088 /nfs/dbraw/zinc/90/30/88/342903088.db2.gz VDTNDPJSKWLWDK-ZJUUUORDSA-N 0 3 293.327 1.065 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000594420483 342903089 /nfs/dbraw/zinc/90/30/89/342903089.db2.gz VDTNDPJSKWLWDK-ZJUUUORDSA-N 0 3 293.327 1.065 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422364 342903631 /nfs/dbraw/zinc/90/36/31/342903631.db2.gz YQOTWQDHJSIDFS-ZYHUDNBSSA-N 0 3 292.339 1.670 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1onc(C)c1[N+](=O)[O-] ZINC000595344700 343043890 /nfs/dbraw/zinc/04/38/90/343043890.db2.gz NXSUSCYAFFEIJX-NEPJUHHUSA-N 0 3 294.355 1.950 20 5 CDBDHN C[C@@H](O)[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000595769032 343146505 /nfs/dbraw/zinc/14/65/05/343146505.db2.gz IOXUQUWBIFJLFR-BXUZGUMPSA-N 0 3 280.324 1.819 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000598343063 343771673 /nfs/dbraw/zinc/77/16/73/343771673.db2.gz QFNOYELEZYBZCE-CYBMUJFWSA-N 0 3 291.351 1.738 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](CO)[C@H](CO)C1 ZINC000599531086 344076222 /nfs/dbraw/zinc/07/62/22/344076222.db2.gz HOBYNNVRHQCNTF-AGIUHOORSA-N 0 3 294.351 1.497 20 5 CDBDHN COc1cc(CNC[C@@H]2CC[C@@H](C)O2)c([N+](=O)[O-])cc1O ZINC000453635834 252329964 /nfs/dbraw/zinc/32/99/64/252329964.db2.gz VKGXMVBCYGNWMB-KOLCDFICSA-N 0 3 296.323 1.966 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CCC[C@@H]1O ZINC000602795579 344586640 /nfs/dbraw/zinc/58/66/40/344586640.db2.gz NMMDFAIHNRZOBX-RYUDHWBXSA-N 0 3 282.344 1.193 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](CO)c1ccccc1 ZINC000602796755 344588154 /nfs/dbraw/zinc/58/81/54/344588154.db2.gz CQBZAOZQZFTLKR-CYBMUJFWSA-N 0 3 290.323 1.423 20 5 CDBDHN COC[C@@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602836876 344619098 /nfs/dbraw/zinc/61/90/98/344619098.db2.gz HVQKMQHXCNQIFI-LBPRGKRZSA-N 0 3 282.344 1.601 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](O)[C@H]3CCCC[C@H]32)n1 ZINC000602998182 344684067 /nfs/dbraw/zinc/68/40/67/344684067.db2.gz YRWUDUPPCVNPRA-XQQFMLRXSA-N 0 3 294.355 1.417 20 5 CDBDHN Cc1ccc(NC(=O)[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000609493467 345050114 /nfs/dbraw/zinc/05/01/14/345050114.db2.gz YXBBEPYRVHCCMK-JTQLQIEISA-N 0 3 263.297 1.793 20 5 CDBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000611336966 346751327 /nfs/dbraw/zinc/75/13/27/346751327.db2.gz UNNRTDOLHPCPLL-YWPYICTPSA-N 0 3 293.367 1.965 20 5 CDBDHN NC(=O)c1ccc(CN2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000152838005 347621842 /nfs/dbraw/zinc/62/18/42/347621842.db2.gz NOLQJIRJLQMGNY-RYUDHWBXSA-N 0 3 289.335 1.926 20 5 CDBDHN CN(CCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000066924175 349005911 /nfs/dbraw/zinc/00/59/11/349005911.db2.gz SJBYWQOZQRXTLD-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000123173324 187075953 /nfs/dbraw/zinc/07/59/53/187075953.db2.gz HERXWSCZIRHTQH-UHFFFAOYSA-N 0 3 280.324 1.568 20 5 CDBDHN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000122657747 187044149 /nfs/dbraw/zinc/04/41/49/187044149.db2.gz PZYZWPSASVMKED-IUCAKERBSA-N 0 3 281.287 1.556 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856435 140220349 /nfs/dbraw/zinc/22/03/49/140220349.db2.gz QUSANRQXFDVLLQ-TVQRCGJNSA-N 0 3 279.340 1.893 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000157312303 188309968 /nfs/dbraw/zinc/30/99/68/188309968.db2.gz ZRSIYNYFMXXXKN-UHFFFAOYSA-N 0 3 260.297 1.923 20 5 CDBDHN C[C@@H](CN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000036932578 363293845 /nfs/dbraw/zinc/29/38/45/363293845.db2.gz VHRVLCYYTRHVLB-LBPRGKRZSA-N 0 3 279.340 1.405 20 5 CDBDHN CC[C@@H](N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229939093 356320576 /nfs/dbraw/zinc/32/05/76/356320576.db2.gz VWGCDMUQQKOIKE-GFCCVEGCSA-N 0 3 275.312 1.839 20 5 CDBDHN CN(C)[C@]1(CNc2ncc([N+](=O)[O-])cn2)CCSC1 ZINC000273580253 192213975 /nfs/dbraw/zinc/21/39/75/192213975.db2.gz FOUWETCEXNVLOO-NSHDSACASA-N 0 3 283.357 1.234 20 5 CDBDHN CC[C@@H](CO)NCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000186525722 357658616 /nfs/dbraw/zinc/65/86/16/357658616.db2.gz OHGKAGBSRDPKEV-JTQLQIEISA-N 0 3 284.312 1.473 20 5 CDBDHN CCN(C)C(=O)CN[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186811404 357694627 /nfs/dbraw/zinc/69/46/27/357694627.db2.gz QHQLLBFQJYCSCH-LBPRGKRZSA-N 0 3 293.367 1.984 20 5 CDBDHN C[C@H](NC[C@@H](CO)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000360882353 357730820 /nfs/dbraw/zinc/73/08/20/357730820.db2.gz DMDVMOUPLZQVPV-UBHSHLNASA-N 0 3 294.351 1.890 20 5 CDBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCOCCO ZINC000337558025 358084798 /nfs/dbraw/zinc/08/47/98/358084798.db2.gz YJWUNYAPWNISBG-XQRVVYSFSA-N 0 3 280.324 1.549 20 5 CDBDHN COc1cc(CNC[C@H](C)OC)c([N+](=O)[O-])cc1O ZINC000191153107 358116562 /nfs/dbraw/zinc/11/65/62/358116562.db2.gz JPLKBYHUXMHOTL-QMMMGPOBSA-N 0 3 270.285 1.434 20 5 CDBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000361657639 358403331 /nfs/dbraw/zinc/40/33/31/358403331.db2.gz DDOBPDXNGPJMIM-CMPLNLGQSA-N 0 3 250.298 1.655 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNCCN1CC[C@@H](O)C1 ZINC000599007989 358724756 /nfs/dbraw/zinc/72/47/56/358724756.db2.gz FPWICDJQEHTGLD-PKXJPQMGSA-N 0 3 291.351 1.264 20 5 CDBDHN CN(C)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000120324319 358742271 /nfs/dbraw/zinc/74/22/71/358742271.db2.gz ANXHPRDDLLRQSY-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000080388492 358883456 /nfs/dbraw/zinc/88/34/56/358883456.db2.gz QQVSNYCXQYSSCB-UHFFFAOYSA-N 0 3 269.276 1.368 20 5 CDBDHN NC1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000050015932 359561685 /nfs/dbraw/zinc/56/16/85/359561685.db2.gz YABGFDFUZDDVFS-UHFFFAOYSA-N 0 3 263.297 1.483 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000176358179 360204416 /nfs/dbraw/zinc/20/44/16/360204416.db2.gz AORDBAYDAFKIIE-SNVBAGLBSA-N 0 3 279.340 1.717 20 5 CDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCCN1 ZINC000177942212 189080827 /nfs/dbraw/zinc/08/08/27/189080827.db2.gz CBOHODOVCMGEOY-GFCCVEGCSA-N 0 3 292.339 1.265 20 5 CDBDHN COC[C@H](CNCc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227708053 360688417 /nfs/dbraw/zinc/68/84/17/360688417.db2.gz ZKDOVMDUVMZLMT-LBPRGKRZSA-N 0 3 268.313 1.654 20 5 CDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)N ZINC000211772590 360832484 /nfs/dbraw/zinc/83/24/84/360832484.db2.gz BNQPIZYSSXVRFY-SNVBAGLBSA-N 0 3 265.313 1.679 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN(C)C ZINC000180700898 189270616 /nfs/dbraw/zinc/27/06/16/189270616.db2.gz CJFIZJBRDKBHHM-UHFFFAOYSA-N 0 3 280.328 1.895 20 5 CDBDHN C[C@H](C[S@@](C)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000168166713 363969710 /nfs/dbraw/zinc/96/97/10/363969710.db2.gz APWHNVFIKLJWMZ-XLFHBGCDSA-N 0 3 256.327 1.451 20 5 CDBDHN CN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000124314600 364058564 /nfs/dbraw/zinc/05/85/64/364058564.db2.gz GNWNHBBEZSTSMV-UHFFFAOYSA-N 0 3 295.314 1.487 20 5 CDBDHN COC[C@@H](CCO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223951830 370746206 /nfs/dbraw/zinc/74/62/06/370746206.db2.gz MJGFJBAZUSMAEW-DGCLKSJQSA-N 0 3 282.340 1.951 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCOCCO)CCC2 ZINC000192612056 189625717 /nfs/dbraw/zinc/62/57/17/189625717.db2.gz PUBFGOVOOBGMAE-AWEZNQCLSA-N 0 3 280.324 1.571 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CO)C1CCCCC1 ZINC000541056205 364868649 /nfs/dbraw/zinc/86/86/49/364868649.db2.gz ZMTXZNRFPJWENU-NSHDSACASA-N 0 3 282.344 1.359 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H](CO)C1CCCCC1 ZINC000541056195 364870366 /nfs/dbraw/zinc/87/03/66/364870366.db2.gz ZMTXZNRFPJWENU-LLVKDONJSA-N 0 3 282.344 1.359 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351813695 365000991 /nfs/dbraw/zinc/00/09/91/365000991.db2.gz HYOOUMFKVZYADL-GWCFXTLKSA-N 0 3 266.297 1.286 20 5 CDBDHN COC[C@H](CNC/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000272638279 367785341 /nfs/dbraw/zinc/78/53/41/367785341.db2.gz CBFJHXSNKLHEAL-IYNGYCSASA-N 0 3 280.324 1.859 20 5 CDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177015 367843834 /nfs/dbraw/zinc/84/38/34/367843834.db2.gz ISQZXKIEJCULGQ-PWSUYJOCSA-N 0 3 292.339 1.479 20 5 CDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN[C@@H](C)C1 ZINC000420342669 244115726 /nfs/dbraw/zinc/11/57/26/244115726.db2.gz XSHVHWNDSWIDAM-WDEREUQCSA-N 0 3 292.339 1.216 20 5 CDBDHN NC(=O)C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000367983043 371268571 /nfs/dbraw/zinc/26/85/71/371268571.db2.gz MRFFHOFUXJYCFC-NSHDSACASA-N 0 3 293.323 1.171 20 5 CDBDHN Cc1ccc(CN[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000168768032 371432600 /nfs/dbraw/zinc/43/26/00/371432600.db2.gz IIEQVTQPRUKCQZ-NSHDSACASA-N 0 3 251.330 1.943 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000049096277 372909230 /nfs/dbraw/zinc/90/92/30/372909230.db2.gz VOISDGGOUGDFGE-GFCCVEGCSA-N 0 3 277.324 1.348 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCCN(CC)CC1 ZINC000619480935 374124827 /nfs/dbraw/zinc/12/48/27/374124827.db2.gz OIWUYUHETGALHL-UHFFFAOYSA-N 0 3 281.360 1.652 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H](O)C2)cc1 ZINC000113503708 374262076 /nfs/dbraw/zinc/26/20/76/374262076.db2.gz UOTNYVQIMHAYFV-NSHDSACASA-N 0 3 252.270 1.040 20 5 CDBDHN C[C@@H](NC[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000079928678 374430907 /nfs/dbraw/zinc/43/09/07/374430907.db2.gz QSTOWQXVLXNJLT-KOLCDFICSA-N 0 3 263.297 1.524 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCCN2C2CC2)nc1 ZINC000277336373 374782420 /nfs/dbraw/zinc/78/24/20/374782420.db2.gz FEMSIHQNCHGFJO-LLVKDONJSA-N 0 3 277.328 1.814 20 5 CDBDHN C[C@H]1NCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000277453151 374787684 /nfs/dbraw/zinc/78/76/84/374787684.db2.gz GQQSXECXAXXLLY-ZOUVEMKTSA-N 0 3 289.335 1.817 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)COCC2CC2)cc1 ZINC000037894565 374963900 /nfs/dbraw/zinc/96/39/00/374963900.db2.gz UMOUFTFYHQLSST-CQSZACIVSA-N 0 3 280.324 1.472 20 5 CDBDHN C[C@]1(O)CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000280119909 374981527 /nfs/dbraw/zinc/98/15/27/374981527.db2.gz PXVZIWXBHJHURF-LBPRGKRZSA-N 0 3 268.317 1.028 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCC[C@H]1O ZINC000305810562 375659452 /nfs/dbraw/zinc/65/94/52/375659452.db2.gz LZFRCEMZGKYSLR-DGCLKSJQSA-N 0 3 282.344 1.274 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262811171 190063711 /nfs/dbraw/zinc/06/37/11/190063711.db2.gz QYNHUCJXYWEYEK-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000073991931 376748528 /nfs/dbraw/zinc/74/85/28/376748528.db2.gz NJLKQIBSROPAEZ-NWDGAFQWSA-N 0 3 289.335 1.904 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC1(CO)CCOCC1 ZINC000265201005 190165528 /nfs/dbraw/zinc/16/55/28/190165528.db2.gz AUMSCEAOYFZALL-HWKANZROSA-N 0 3 292.335 1.739 20 5 CDBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(C)C1 ZINC000173306779 378123250 /nfs/dbraw/zinc/12/32/50/378123250.db2.gz SAOXFUBZTSJZEE-AWEZNQCLSA-N 0 3 291.351 1.690 20 5 CDBDHN CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCCN(C)C1 ZINC000266061603 190227394 /nfs/dbraw/zinc/22/73/94/190227394.db2.gz ZHPPTKCHPQLTNT-NSHDSACASA-N 0 3 250.302 1.520 20 5 CDBDHN C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000173483638 378476789 /nfs/dbraw/zinc/47/67/89/378476789.db2.gz ICTGMEZSUPCSEI-LLVKDONJSA-N 0 3 291.351 1.736 20 5 CDBDHN CCCN(CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173528037 378526175 /nfs/dbraw/zinc/52/61/75/378526175.db2.gz OFQQXIREXRRYIF-UHFFFAOYSA-N 0 3 298.339 1.687 20 5 CDBDHN C[C@@H](NC(=O)C(C)(C)N)c1cccc([N+](=O)[O-])c1 ZINC000040922815 378976521 /nfs/dbraw/zinc/97/65/21/378976521.db2.gz GBRHSVUGMYXEPX-MRVPVSSYSA-N 0 3 251.286 1.509 20 5 CDBDHN CCc1[nH]nc(C(=O)N2CCN(C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000444273218 250114570 /nfs/dbraw/zinc/11/45/70/250114570.db2.gz ZUGGVQULBIVZGY-VIFPVBQESA-N 0 3 295.343 1.047 20 5 CDBDHN COC[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000278750854 194136949 /nfs/dbraw/zinc/13/69/49/194136949.db2.gz WKPIKRUXJYWXHY-KBPBESRZSA-N 0 3 280.324 1.878 20 5 CDBDHN COCCN1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266838199 190283643 /nfs/dbraw/zinc/28/36/43/190283643.db2.gz KQYJSVGYZNDMLS-UHFFFAOYSA-N 0 3 294.355 1.821 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000267379657 190325850 /nfs/dbraw/zinc/32/58/50/190325850.db2.gz AQYIZTVTMOVTLX-LLVKDONJSA-N 0 3 290.327 1.394 20 5 CDBDHN CC1(C)C[C@H](NCCOCCO)c2cc([N+](=O)[O-])ccc21 ZINC000279227461 194342976 /nfs/dbraw/zinc/34/29/76/194342976.db2.gz ZONRKAIUYMWZTQ-AWEZNQCLSA-N 0 3 294.351 1.916 20 5 CDBDHN COCC[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281750625 390348174 /nfs/dbraw/zinc/34/81/74/390348174.db2.gz VYRZGOHNVCNJHS-RYUDHWBXSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000286915157 390815094 /nfs/dbraw/zinc/81/50/94/390815094.db2.gz HYBDAHWUYKBJGW-JTQLQIEISA-N 0 3 294.355 1.341 20 5 CDBDHN COCCNCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423322616 390825713 /nfs/dbraw/zinc/82/57/13/390825713.db2.gz NYICFOSHYKATRI-LLVKDONJSA-N 0 3 267.329 1.481 20 5 CDBDHN CN(C)C[C@@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332658213 390985466 /nfs/dbraw/zinc/98/54/66/390985466.db2.gz ANYMILRONJOGMK-ZFWWWQNUSA-N 0 3 293.367 1.484 20 5 CDBDHN CN(CCN1CCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000413121072 391159710 /nfs/dbraw/zinc/15/97/10/391159710.db2.gz UIPKGTCBUBNGKA-UHFFFAOYSA-N 0 3 268.292 1.661 20 5 CDBDHN Cc1cnc(N2CCCN([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000344989229 391334882 /nfs/dbraw/zinc/33/48/82/391334882.db2.gz NXSOHWRIEVMYDN-LBPRGKRZSA-N 0 3 294.355 1.191 20 5 CDBDHN CO[C@@H](CN)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000574210041 391876977 /nfs/dbraw/zinc/87/69/77/391876977.db2.gz LNFDMGLJFBOPOG-ZDUSSCGKSA-N 0 3 293.323 1.060 20 5 CDBDHN COC[C@@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000353638254 391906017 /nfs/dbraw/zinc/90/60/17/391906017.db2.gz ARUDLUWFSFYQFW-QMTHXVAHSA-N 0 3 294.351 1.914 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000416305487 391985076 /nfs/dbraw/zinc/98/50/76/391985076.db2.gz XKBRZOYOXKQRPE-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CO[C@@H]1COC[C@@H]1N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000459748569 392503327 /nfs/dbraw/zinc/50/33/27/392503327.db2.gz DYGCUCJWQJRBHM-CORIIIEPSA-N 0 3 294.351 1.919 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CNCCC1(F)F ZINC000423687708 392967090 /nfs/dbraw/zinc/96/70/90/392967090.db2.gz AFOOHWUADWEPPN-SNVBAGLBSA-N 0 3 299.277 1.630 20 5 CDBDHN CC[C@]1(O)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000425913397 393031400 /nfs/dbraw/zinc/03/14/00/393031400.db2.gz GHWVQVHQAWFBAX-ZDUSSCGKSA-N 0 3 250.298 1.942 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CN1C1CC1 ZINC000531005132 393057547 /nfs/dbraw/zinc/05/75/47/393057547.db2.gz DOKUCUZXAODXPM-NXEZZACHSA-N 0 3 292.339 1.288 20 5 CDBDHN C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000275196751 135104464 /nfs/dbraw/zinc/10/44/64/135104464.db2.gz AIUIVIZJILYMRI-NEPJUHHUSA-N 0 3 279.340 1.486 20 5 CDBDHN CN(C)CCOCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000226737983 140181172 /nfs/dbraw/zinc/18/11/72/140181172.db2.gz PQOWVZQPXYEXCQ-UHFFFAOYSA-N 0 3 288.735 1.633 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252667289 140322245 /nfs/dbraw/zinc/32/22/45/140322245.db2.gz IEHVBBOTWJJUCH-UONOGXRCSA-N 0 3 291.351 1.548 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252844315 140327062 /nfs/dbraw/zinc/32/70/62/140327062.db2.gz BSNAVDTYGMAOFZ-VHRBIJSZSA-N 0 3 262.309 1.798 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1CCO ZINC000310636917 149197082 /nfs/dbraw/zinc/19/70/82/149197082.db2.gz RDZGJZLPNUYOMR-GFCCVEGCSA-N 0 3 250.298 1.942 20 5 CDBDHN CCOC[C@@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352549684 155264383 /nfs/dbraw/zinc/26/43/83/155264383.db2.gz FPWQBSHYEKRUKW-ZDUSSCGKSA-N 0 3 282.340 1.467 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1O ZINC000352661701 155332595 /nfs/dbraw/zinc/33/25/95/155332595.db2.gz YNANEQUDCCAITG-CHWSQXEVSA-N 0 3 250.298 1.940 20 5 CDBDHN CCCCN(C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359321172 158214462 /nfs/dbraw/zinc/21/44/62/158214462.db2.gz VKUGTWMEWMTMJK-UHFFFAOYSA-N 0 3 293.367 1.985 20 5 CDBDHN C[C@H]1CC[C@@H](CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000373221772 160183122 /nfs/dbraw/zinc/18/31/22/160183122.db2.gz VBYDGXLFCOXCRA-AAEUAGOBSA-N 0 3 294.355 1.996 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000374544254 160294282 /nfs/dbraw/zinc/29/42/82/160294282.db2.gz DYSRRXXINDKHRS-GFCCVEGCSA-N 0 3 272.308 1.965 20 5 CDBDHN CN1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000020501976 171227715 /nfs/dbraw/zinc/22/77/15/171227715.db2.gz FLPUGKLQFTUHHX-BQYQJAHWSA-N 0 3 289.335 1.772 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCC2(O)CCOCC2)cc1 ZINC000285523060 196314087 /nfs/dbraw/zinc/31/40/87/196314087.db2.gz OKAIBVFPNWLQGL-UHFFFAOYSA-N 0 3 280.324 1.616 20 5 CDBDHN COC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071267735 176100839 /nfs/dbraw/zinc/10/08/39/176100839.db2.gz UZLOXMADMZSPPG-PWSUYJOCSA-N 0 3 268.313 1.561 20 5 CDBDHN CN1CCC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000073848744 277024519 /nfs/dbraw/zinc/02/45/19/277024519.db2.gz TXJWUWSGTOBYSG-UHFFFAOYSA-N 0 3 289.335 1.826 20 5 CDBDHN C[C@H](CN(C)C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000343798764 279280682 /nfs/dbraw/zinc/28/06/82/279280682.db2.gz WHPDLFSKRQNCBL-SECBINFHSA-N 0 3 275.312 1.900 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000525021065 281115221 /nfs/dbraw/zinc/11/52/21/281115221.db2.gz NKKJUPNKUXVSGY-CMPLNLGQSA-N 0 3 294.355 1.346 20 5 CDBDHN COC[C@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564225337 316438094 /nfs/dbraw/zinc/43/80/94/316438094.db2.gz FQQRGQKPNJVGIN-CABZTGNLSA-N 0 3 266.297 1.179 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577488520 317338822 /nfs/dbraw/zinc/33/88/22/317338822.db2.gz BFOMGWHLOIPTSW-SNVBAGLBSA-N 0 3 293.323 1.230 20 5 CDBDHN COc1ccc(CNC[C@H](O)CSC)cc1[N+](=O)[O-] ZINC000579305160 324149576 /nfs/dbraw/zinc/14/95/76/324149576.db2.gz MOPKHVSZKDIPSR-JTQLQIEISA-N 0 3 286.353 1.417 20 5 CDBDHN C[C@H](O)[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581939063 324864470 /nfs/dbraw/zinc/86/44/70/324864470.db2.gz IPQYTOALUZQBGX-YUMQZZPRSA-N 0 3 264.285 1.330 20 5 CDBDHN CN1CCCC[C@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001354298831 1160257241 /nfs/dbraw/zinc/25/72/41/1160257241.db2.gz FDCKSTXBULTNGR-VIFPVBQESA-N 0 3 265.317 1.468 20 5 CDBDHN NCc1cnnn1-c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001169310502 1162003423 /nfs/dbraw/zinc/00/34/23/1162003423.db2.gz ZACQANLOBCMCDS-UHFFFAOYSA-N 0 3 287.201 1.653 20 5 CDBDHN CC(=O)N1CC[C@@H](CN(C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156411031 519613388 /nfs/dbraw/zinc/61/33/88/519613388.db2.gz ZPFWDHDBVRZSQT-AWEZNQCLSA-N 0 3 291.351 1.895 20 5 CDBDHN CC[C@@H](N[C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018587 522923102 /nfs/dbraw/zinc/92/31/02/522923102.db2.gz IGWSPPRNDWICLV-DGCLKSJQSA-N 0 3 277.324 1.914 20 5 CDBDHN COCCN(C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000061380261 523596004 /nfs/dbraw/zinc/59/60/04/523596004.db2.gz SGZOVFUKCKFDBY-UHFFFAOYSA-N 0 3 299.302 1.042 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N(C)C1CC1 ZINC000068219666 524718809 /nfs/dbraw/zinc/71/88/09/524718809.db2.gz LNZUHRCWGDDJGY-QMMMGPOBSA-N 0 3 267.285 1.400 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000157350774 525263366 /nfs/dbraw/zinc/26/33/66/525263366.db2.gz BQZBOHNXPVCRQS-ZJUUUORDSA-N 0 3 292.339 1.390 20 5 CDBDHN NC(C(=O)NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000353122474 527327758 /nfs/dbraw/zinc/32/77/58/527327758.db2.gz AKFDVSWJBPFIJI-QMMMGPOBSA-N 0 3 277.202 1.101 20 5 CDBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000772533370 575719922 /nfs/dbraw/zinc/71/99/22/575719922.db2.gz NDRQASJHBFXOCY-SKDRFNHKSA-N 0 3 292.291 1.677 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1COC[C@H]1C ZINC000932493462 617316169 /nfs/dbraw/zinc/31/61/69/617316169.db2.gz GHZUWFOAAXQQCA-ZWNOBZJWSA-N 0 3 293.323 1.466 20 5 CDBDHN CC(COC(=O)c1ncsc1C1CC1)[N+](=O)[O-] ZINC000893048486 618100025 /nfs/dbraw/zinc/10/00/25/618100025.db2.gz WKJUENVHQIPXBL-LURJTMIESA-N 0 3 256.283 1.843 20 5 CDBDHN CN1C[C@H]2[C@@H](CCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000893938223 618199519 /nfs/dbraw/zinc/19/95/19/618199519.db2.gz CIZJBCQRTWCXRB-KWQFWETISA-N 0 3 282.731 1.784 20 5 CDBDHN COc1c(O)ccc(CNCCSC)c1[N+](=O)[O-] ZINC000892437338 618202071 /nfs/dbraw/zinc/20/20/71/618202071.db2.gz IRGLJEDIJFHJMX-UHFFFAOYSA-N 0 3 272.326 1.762 20 5 CDBDHN CC1(C)CCN(CCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000897249485 620442801 /nfs/dbraw/zinc/44/28/01/620442801.db2.gz WHOLFCJWFXILTB-UHFFFAOYSA-N 0 3 265.317 1.529 20 5 CDBDHN CSc1ccc([C@H](CNCC[N+](=O)[O-])N(C)C)cc1 ZINC000905271231 626727269 /nfs/dbraw/zinc/72/72/69/626727269.db2.gz AWKVPDLTCADIOB-ZDUSSCGKSA-N 0 3 283.397 1.878 20 5 CDBDHN CC(=O)Nc1ccc(F)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104478 677920735 /nfs/dbraw/zinc/92/07/35/677920735.db2.gz DDLWWNZIWSKQSY-ZETCQYMHSA-N 0 3 284.243 1.606 20 5 CDBDHN CN1CC[C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)C1 ZINC000812811977 678065174 /nfs/dbraw/zinc/06/51/74/678065174.db2.gz RGTORJALCJCDDG-SECBINFHSA-N 0 3 268.317 1.477 20 5 CDBDHN Cc1onc(-c2ccccn2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107767 678195999 /nfs/dbraw/zinc/19/59/99/678195999.db2.gz VZFIGCHUROEGRW-MRVPVSSYSA-N 0 3 291.263 1.867 20 5 CDBDHN CC(COC(=O)c1c[nH]nc1C(C)(C)C)[N+](=O)[O-] ZINC000816091863 679696738 /nfs/dbraw/zinc/69/67/38/679696738.db2.gz LMPGYZYKXFEBPH-SSDOTTSWSA-N 0 3 255.274 1.529 20 5 CDBDHN CNC(=O)CCN(C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876684747 677749647 /nfs/dbraw/zinc/74/96/47/677749647.db2.gz JAQWZRGWZUZGNA-UHFFFAOYSA-N 0 3 279.340 1.780 20 5 CDBDHN C[C@@H]1[C@H](O)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832220244 678257766 /nfs/dbraw/zinc/25/77/66/678257766.db2.gz PUDZGWJNZMOEMN-OASPWFOLSA-N 0 3 266.297 1.083 20 5 CDBDHN CC(COC(=O)C[C@H]1COc2ccccc2O1)[N+](=O)[O-] ZINC000835457735 678783385 /nfs/dbraw/zinc/78/33/85/678783385.db2.gz ZXIVIJFDZDYUHQ-ZJUUUORDSA-N 0 3 281.264 1.425 20 5 CDBDHN CC(COC(=O)CNC(=O)Nc1ccccc1)[N+](=O)[O-] ZINC000813115549 679025401 /nfs/dbraw/zinc/02/54/01/679025401.db2.gz UWLXUICNJXTYKN-SECBINFHSA-N 0 3 281.268 1.017 20 5 CDBDHN CN(CCO)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000884824949 679062084 /nfs/dbraw/zinc/06/20/84/679062084.db2.gz WZZADPMMSSIKAB-UHFFFAOYSA-N 0 3 296.352 1.541 20 5 CDBDHN Cc1ccn2cc(C(=O)OCC(C)[N+](=O)[O-])nc2c1 ZINC000813110993 679078225 /nfs/dbraw/zinc/07/82/25/679078225.db2.gz NTWUYDRYHBJGHN-SECBINFHSA-N 0 3 263.253 1.465 20 5 CDBDHN CC(COC(=O)[C@@H](C)OCCc1ccccc1)[N+](=O)[O-] ZINC000835454505 679398892 /nfs/dbraw/zinc/39/88/92/679398892.db2.gz KCSZYJJOAQYHJB-NWDGAFQWSA-N 0 3 281.308 1.843 20 5 CDBDHN CN(CCNc1ccc([N+](=O)[O-])s1)CCOCCO ZINC000882952381 679436424 /nfs/dbraw/zinc/43/64/24/679436424.db2.gz RWEGHRGTOUIDEA-UHFFFAOYSA-N 0 3 289.357 1.009 20 5 CDBDHN CC(COC(=O)c1csc(-c2cnccn2)n1)[N+](=O)[O-] ZINC000813104572 679461714 /nfs/dbraw/zinc/46/17/14/679461714.db2.gz OWWYNCQGXOSOMQ-SSDOTTSWSA-N 0 3 294.292 1.422 20 5 CDBDHN CC(COC(=O)c1cnc2n1CCCCC2)[N+](=O)[O-] ZINC000857029464 679509953 /nfs/dbraw/zinc/50/99/53/679509953.db2.gz NHOLZIWXZUUISZ-VIFPVBQESA-N 0 3 267.285 1.432 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(CCO)CCCO ZINC000876723510 679550044 /nfs/dbraw/zinc/55/00/44/679550044.db2.gz CJHLPMFSNIWNDX-UHFFFAOYSA-N 0 3 282.340 1.388 20 5 CDBDHN O=C(NC[C@@H]1CCN1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000856358664 679566850 /nfs/dbraw/zinc/56/68/50/679566850.db2.gz SOWHOXBSQBGMPM-BFHYXJOUSA-N 0 3 289.335 1.042 20 5 CDBDHN COc1ccc(C[C@@H](C)NC2(C)COC2)c([N+](=O)[O-])c1 ZINC001170297215 1162328053 /nfs/dbraw/zinc/32/80/53/1162328053.db2.gz MESZCEYAYODISA-SNVBAGLBSA-N 0 3 280.324 1.913 20 5 CDBDHN Cc1cccc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170567748 1162950729 /nfs/dbraw/zinc/95/07/29/1162950729.db2.gz LTWPKYOQMQRNED-ZYHUDNBSSA-N 0 3 265.313 1.692 20 5 CDBDHN C[C@@H]1NC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H]1C ZINC000401308536 1186410751 /nfs/dbraw/zinc/41/07/51/1186410751.db2.gz UMXYIJUXMPRIFD-GUBZILKMSA-N 0 3 280.328 1.144 20 5 CDBDHN C[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H](C)CN1C ZINC001164634365 719221447 /nfs/dbraw/zinc/22/14/47/719221447.db2.gz GOUAKPHYEVVEQX-ZJUUUORDSA-N 0 3 289.339 2.000 20 5 CDBDHN CC(=O)N[C@H]1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229892 912323048 /nfs/dbraw/zinc/32/30/48/912323048.db2.gz BNYQIBIQZNHWQG-FZMZJTMJSA-N 0 3 291.351 1.736 20 5 CDBDHN COc1ccc(CN[C@@H]2COC[C@H]2C)cc1[N+](=O)[O-] ZINC000699804836 914292196 /nfs/dbraw/zinc/29/21/96/914292196.db2.gz JHBDXMBENOUZIK-MWLCHTKSSA-N 0 3 266.297 1.728 20 5 CDBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCN1C ZINC000695902998 900069627 /nfs/dbraw/zinc/06/96/27/900069627.db2.gz DWIQOAHNSXZADL-BXUZGUMPSA-N 0 3 278.356 1.641 20 5 CDBDHN NCc1cn(-c2ncnc3ccc([N+](=O)[O-])cc32)cn1 ZINC001154906119 926016799 /nfs/dbraw/zinc/01/67/99/926016799.db2.gz AVOMGZXROQCBJY-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN COc1c(F)cc(-n2ccc([C@@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169232258 927845626 /nfs/dbraw/zinc/84/56/26/927845626.db2.gz BYXMEVLRFJKGMV-SSDOTTSWSA-N 0 3 280.259 1.948 20 5 CDBDHN CCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154006783 937491511 /nfs/dbraw/zinc/49/15/11/937491511.db2.gz KYJAHQKTNXXFAI-UHFFFAOYSA-N 0 3 271.342 1.662 20 5 CDBDHN NCc1cn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)cn1 ZINC001154910095 937603603 /nfs/dbraw/zinc/60/36/03/937603603.db2.gz VZCIZYIXHBVVKR-UHFFFAOYSA-N 0 3 296.290 1.696 20 5 CDBDHN CCC(C)(C)N1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001120863246 937843009 /nfs/dbraw/zinc/84/30/09/937843009.db2.gz ZMEYCMYDRCHZGE-UHFFFAOYSA-N 0 3 293.371 1.883 20 5 CDBDHN C[C@H](N)c1ccn(-c2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC001158345363 938611432 /nfs/dbraw/zinc/61/14/32/938611432.db2.gz LWJXRHYEMRNMCQ-LURJTMIESA-N 0 3 267.676 1.849 20 5 CDBDHN O=[N+]([O-])c1ccc2ncc(N3CCN4CC[C@H]4C3)nc2c1 ZINC001158424064 938622518 /nfs/dbraw/zinc/62/25/18/938622518.db2.gz SDZOKDAWFBRHDQ-NSHDSACASA-N 0 3 285.307 1.432 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001159498687 938734977 /nfs/dbraw/zinc/73/49/77/938734977.db2.gz MEFSCDOAAUJACY-GHMZBOCLSA-N 0 3 280.328 1.395 20 5 CDBDHN COc1cc(CO[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC001223905081 941705816 /nfs/dbraw/zinc/70/58/16/941705816.db2.gz BLPSNQMTGWPYOP-LLVKDONJSA-N 0 3 296.323 1.833 20 5 CDBDHN O=[N+]([O-])c1c[nH]cc2nc(O[C@@H]3CN4CCC3CC4)nc1-2 ZINC001230230027 942592509 /nfs/dbraw/zinc/59/25/09/942592509.db2.gz JRBPBEHXIUAHAD-LLVKDONJSA-N 0 3 289.295 1.339 20 5 CDBDHN CCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001230969805 942745849 /nfs/dbraw/zinc/74/58/49/942745849.db2.gz UHOKXRZGKJOZQZ-UHFFFAOYSA-N 0 3 279.340 1.943 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C ZINC001262652767 943657246 /nfs/dbraw/zinc/65/72/46/943657246.db2.gz PKYHSENXQMTHFQ-JTQLQIEISA-N 0 3 280.328 1.147 20 5 CDBDHN COC(=O)c1ccc(O[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001234049510 943727258 /nfs/dbraw/zinc/72/72/58/943727258.db2.gz YDVKZARGPSFAMN-SNVBAGLBSA-N 0 3 280.280 1.464 20 5 CDBDHN CC(=O)[C@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608631 947554977 /nfs/dbraw/zinc/55/49/77/947554977.db2.gz RLVLPJMEPYECBU-SWLSCSKDSA-N 0 3 274.320 1.973 20 5 CDBDHN CCN1C[C@@H]2C[C@H]1CN2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610224 947556086 /nfs/dbraw/zinc/55/60/86/947556086.db2.gz JLKBRCDSMJXYQU-PMPSAXMXSA-N 0 3 287.363 1.840 20 5 CDBDHN CN1CCCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC001347505076 965562686 /nfs/dbraw/zinc/56/26/86/965562686.db2.gz VLCNQNCDWJIWPZ-NSHDSACASA-N 0 3 277.324 1.809 20 5 CDBDHN CCOc1cc(NCCN2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199254 343979170 /nfs/dbraw/zinc/97/91/70/343979170.db2.gz IHVHQOPSOFETPB-LBPRGKRZSA-N 0 3 295.339 1.472 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H]2CCCC[C@H]2F)c1 ZINC000564857077 365537264 /nfs/dbraw/zinc/53/72/64/365537264.db2.gz WYPAJXKPPPWQBT-QJPTWQEYSA-N 0 3 286.307 1.023 20 5 CDBDHN CN1CC[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000590719064 342585852 /nfs/dbraw/zinc/58/58/52/342585852.db2.gz KFCNNJKEZADIKN-YGRLFVJLSA-N 0 3 299.334 1.678 20 5 CDBDHN C[C@@]1(O)CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000124888368 187159656 /nfs/dbraw/zinc/15/96/56/187159656.db2.gz MDXPTPFBNZYNCZ-CQSZACIVSA-N 0 3 264.325 1.984 20 5 CDBDHN CC(C)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046055277 342127799 /nfs/dbraw/zinc/12/77/99/342127799.db2.gz FNOBGMQVCRPWRF-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN Cc1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1[N+](=O)[O-] ZINC000591672493 342641367 /nfs/dbraw/zinc/64/13/67/342641367.db2.gz CTVAHEMYCJULNY-NSHDSACASA-N 0 3 263.297 1.840 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236931167 361830795 /nfs/dbraw/zinc/83/07/95/361830795.db2.gz LUWVQTPPCSKXKA-MFKMUULPSA-N 0 3 279.340 1.627 20 5 CDBDHN C[C@H](CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000593404915 342791557 /nfs/dbraw/zinc/79/15/57/342791557.db2.gz YRVPXXKGPLUHLL-SECBINFHSA-N 0 3 283.303 1.343 20 5 CDBDHN CO[C@H]1COC[C@@H]1N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290049114 361985704 /nfs/dbraw/zinc/98/57/04/361985704.db2.gz DYGCUCJWQJRBHM-ZLDLUXBVSA-N 0 3 294.351 1.919 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422361 342903785 /nfs/dbraw/zinc/90/37/85/342903785.db2.gz YQOTWQDHJSIDFS-CMPLNLGQSA-N 0 3 292.339 1.670 20 5 CDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000609382270 342263778 /nfs/dbraw/zinc/26/37/78/342263778.db2.gz AAGUPLPBBAQGAH-LLVKDONJSA-N 0 3 295.364 1.870 20 5 CDBDHN Cn1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000609383267 342264466 /nfs/dbraw/zinc/26/44/66/342264466.db2.gz KVWUEROXIPQGGR-LLVKDONJSA-N 0 3 292.339 1.147 20 5 CDBDHN COCCOCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594504544 342914814 /nfs/dbraw/zinc/91/48/14/342914814.db2.gz OSTHNJMFOKPFKI-ZDUSSCGKSA-N 0 3 280.324 1.835 20 5 CDBDHN CC[C@@H](NC)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595930915 343184246 /nfs/dbraw/zinc/18/42/46/343184246.db2.gz RVFNRDGAYXTKGB-SECBINFHSA-N 0 3 251.286 1.840 20 5 CDBDHN C[C@@H]1CCC[N@H+](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596075735 343226483 /nfs/dbraw/zinc/22/64/83/343226483.db2.gz KAZVCEWZJUEGAP-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN C[C@@H]1CCC[N@@H+](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596075735 343226484 /nfs/dbraw/zinc/22/64/84/343226484.db2.gz KAZVCEWZJUEGAP-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN CC[N@@H+]1CCCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596118995 343232546 /nfs/dbraw/zinc/23/25/46/343232546.db2.gz HWEYFBOEBGOIFA-SNVBAGLBSA-N 0 3 280.328 1.982 20 5 CDBDHN CC[N@H+]1CCCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596118995 343232547 /nfs/dbraw/zinc/23/25/47/343232547.db2.gz HWEYFBOEBGOIFA-SNVBAGLBSA-N 0 3 280.328 1.982 20 5 CDBDHN CN(CC1([NH+](C)C)CCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596202487 343264272 /nfs/dbraw/zinc/26/42/72/343264272.db2.gz FYKBHVHWAUEYKU-UHFFFAOYSA-N 0 3 280.328 1.616 20 5 CDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000598261870 343744065 /nfs/dbraw/zinc/74/40/65/343744065.db2.gz HIOSRBKSCKZHNF-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@H]2CC[C@@H](CO)C2)cs1 ZINC000295086339 199337560 /nfs/dbraw/zinc/33/75/60/199337560.db2.gz RAEARVCEDHICPW-SCZZXKLOSA-N 0 3 256.327 1.907 20 5 CDBDHN COCCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000599507486 344078229 /nfs/dbraw/zinc/07/82/29/344078229.db2.gz XBIKACSXUBSZCH-UHFFFAOYSA-N 0 3 282.344 1.540 20 5 CDBDHN CCOC[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602784014 344598664 /nfs/dbraw/zinc/59/86/64/344598664.db2.gz GYAMOIYBPNKNKP-CYBMUJFWSA-N 0 3 296.371 1.848 20 5 CDBDHN O=[N+]([O-])c1ccsc1NC[C@H]1CSCCN1 ZINC000603418236 344807630 /nfs/dbraw/zinc/80/76/30/344807630.db2.gz FBUNOQCNVALTGF-ZETCQYMHSA-N 0 3 259.356 1.773 20 5 CDBDHN COCCN1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000604441930 344891004 /nfs/dbraw/zinc/89/10/04/344891004.db2.gz ZNPNZLZOFHJIBM-UHFFFAOYSA-N 0 3 280.328 1.513 20 5 CDBDHN Cc1nn(C)c(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000133523187 362561724 /nfs/dbraw/zinc/56/17/24/362561724.db2.gz FHMOIKYRYZGUHR-SCZZXKLOSA-N 0 3 279.344 1.674 20 5 CDBDHN C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000072871058 345378101 /nfs/dbraw/zinc/37/81/01/345378101.db2.gz GOVBIYIPCSFWSG-AOOOYVTPSA-N 0 3 277.324 1.782 20 5 CDBDHN CN1CC[C@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000609992630 346054791 /nfs/dbraw/zinc/05/47/91/346054791.db2.gz AYCACSYQWBJVTA-JTQLQIEISA-N 0 3 275.308 1.436 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@H]3CCCOC3)C2)nc1 ZINC000610569963 346315140 /nfs/dbraw/zinc/31/51/40/346315140.db2.gz IEHFYRVOMDQWPT-YPMHNXCESA-N 0 3 292.339 1.655 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN([C@@H]3CCCOC3)CC2)n1 ZINC000618759063 347300472 /nfs/dbraw/zinc/30/04/72/347300472.db2.gz BHTZPJXEGDGGQN-GFCCVEGCSA-N 0 3 280.328 1.607 20 5 CDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000273308604 192107753 /nfs/dbraw/zinc/10/77/53/192107753.db2.gz IFMGZWGBZJDNRI-NEPJUHHUSA-N 0 3 296.323 1.055 20 5 CDBDHN C[C@@H](NCC1(CO)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000090644507 180017892 /nfs/dbraw/zinc/01/78/92/180017892.db2.gz OJQWGEYBGCRZAH-SNVBAGLBSA-N 0 3 266.297 1.254 20 5 CDBDHN COc1cc(C(=O)NC[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC000110652827 186311085 /nfs/dbraw/zinc/31/10/85/186311085.db2.gz ORGDCFJIDFKHEZ-SNVBAGLBSA-N 0 3 293.323 1.285 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000154180929 188127379 /nfs/dbraw/zinc/12/73/79/188127379.db2.gz RIBSHQDLEVWKMJ-DOMZBBRYSA-N 0 3 294.351 1.987 20 5 CDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1N(C)C ZINC000271775278 191318167 /nfs/dbraw/zinc/31/81/67/191318167.db2.gz JEELEONGFKZUHK-SCZZXKLOSA-N 0 3 299.352 1.305 20 5 CDBDHN C[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC000286340306 356259229 /nfs/dbraw/zinc/25/92/29/356259229.db2.gz YULMHNHCZPHCGO-SNVBAGLBSA-N 0 3 288.307 1.571 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCOCC2)c(F)c1 ZINC000359867537 356429575 /nfs/dbraw/zinc/42/95/75/356429575.db2.gz CKHHITPPEYCINW-CQSZACIVSA-N 0 3 298.314 1.611 20 5 CDBDHN COc1cccc(NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000134908108 356461039 /nfs/dbraw/zinc/46/10/39/356461039.db2.gz KNIGQYNHYYWVGK-VIFPVBQESA-N 0 3 253.302 1.965 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CC)CO ZINC000186520609 357658606 /nfs/dbraw/zinc/65/86/06/357658606.db2.gz PIYVSDLEJHLISS-NSHDSACASA-N 0 3 268.313 1.854 20 5 CDBDHN Cc1c(CNC(=O)NC[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000454861632 252371981 /nfs/dbraw/zinc/37/19/81/252371981.db2.gz WICXQRHXZYYECO-JTQLQIEISA-N 0 3 294.355 1.653 20 5 CDBDHN C[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000192748182 358232252 /nfs/dbraw/zinc/23/22/52/358232252.db2.gz NRDBMECUKAUQCL-SNVBAGLBSA-N 0 3 250.298 1.940 20 5 CDBDHN COC[C@H](O)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193063392 358261507 /nfs/dbraw/zinc/26/15/07/358261507.db2.gz CLJSSZJSBHJOET-UKRRQHHQSA-N 0 3 294.351 1.959 20 5 CDBDHN CCN(C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000134223171 358968948 /nfs/dbraw/zinc/96/89/48/358968948.db2.gz ZGYWVYBPMNDBAO-UHFFFAOYSA-N 0 3 292.339 1.843 20 5 CDBDHN C[C@H]1C[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCN1C ZINC000342365460 359024539 /nfs/dbraw/zinc/02/45/39/359024539.db2.gz WCMGTUWOCSRVHG-VHSXEESVSA-N 0 3 292.339 1.588 20 5 CDBDHN COC[C@H](CO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353144058 359420715 /nfs/dbraw/zinc/42/07/15/359420715.db2.gz BSYPEDLJJQZRAO-RNZFLTOJSA-N 0 3 266.297 1.205 20 5 CDBDHN Cc1nc(N(C)C[C@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000297045750 200069778 /nfs/dbraw/zinc/06/97/78/200069778.db2.gz IBZAECOALHJZLK-NSHDSACASA-N 0 3 279.344 1.471 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000408470083 359820358 /nfs/dbraw/zinc/82/03/58/359820358.db2.gz UDLJZSFIMFJQPX-YPMHNXCESA-N 0 3 275.308 1.371 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000176358196 360204666 /nfs/dbraw/zinc/20/46/66/360204666.db2.gz AORDBAYDAFKIIE-JTQLQIEISA-N 0 3 279.340 1.717 20 5 CDBDHN CS[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270412890 360499202 /nfs/dbraw/zinc/49/92/02/360499202.db2.gz XYCDGCVVNLMQMT-WDEREUQCSA-N 0 3 282.369 1.472 20 5 CDBDHN Cc1nc(N2C[C@H]3CCCN3C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297205768 360625700 /nfs/dbraw/zinc/62/57/00/360625700.db2.gz RRYUXWIGJWKVOD-MWLCHTKSSA-N 0 3 277.328 1.366 20 5 CDBDHN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCNCC1 ZINC000238054071 360715424 /nfs/dbraw/zinc/71/54/24/360715424.db2.gz QYHCNCIGXHGBPW-UHFFFAOYSA-N 0 3 292.339 1.219 20 5 CDBDHN C[C@H](CN(C)CCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000183985146 189373241 /nfs/dbraw/zinc/37/32/41/189373241.db2.gz SXEMHWBMDYTLFA-SNVBAGLBSA-N 0 3 295.368 1.983 20 5 CDBDHN CC1(C)[C@@H](O)C[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000581318968 363979130 /nfs/dbraw/zinc/97/91/30/363979130.db2.gz NELNLJKSECHICV-STQMWFEESA-N 0 3 280.324 1.723 20 5 CDBDHN CN1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053749195 370743087 /nfs/dbraw/zinc/74/30/87/370743087.db2.gz BSODGUKYLCKXEP-SNVBAGLBSA-N 0 3 264.285 1.420 20 5 CDBDHN CCOc1cc(NCCN(C)CCOC)ccc1[N+](=O)[O-] ZINC000107039988 364872068 /nfs/dbraw/zinc/87/20/68/364872068.db2.gz LHMMSZWXKUFIDK-UHFFFAOYSA-N 0 3 297.355 1.984 20 5 CDBDHN CCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270585148 366906317 /nfs/dbraw/zinc/90/63/17/366906317.db2.gz RRMTUMPYNUNGGT-UHFFFAOYSA-N 0 3 279.340 1.879 20 5 CDBDHN CN(C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669432 369786178 /nfs/dbraw/zinc/78/61/78/369786178.db2.gz CCQGBSHMFCFONW-UHFFFAOYSA-N 0 3 255.249 1.025 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1SCCN(C)C ZINC000192675984 372037055 /nfs/dbraw/zinc/03/70/55/372037055.db2.gz JKPUNYHSPVHDDC-UHFFFAOYSA-N 0 3 258.347 1.773 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000133826965 372845791 /nfs/dbraw/zinc/84/57/91/372845791.db2.gz WSDLQWDGYODCOQ-NSHDSACASA-N 0 3 294.355 1.825 20 5 CDBDHN C[C@H](NCCC(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293807434 372909802 /nfs/dbraw/zinc/90/98/02/372909802.db2.gz RKSWHGFNUWGSJY-VIFPVBQESA-N 0 3 280.328 1.306 20 5 CDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147819 374455540 /nfs/dbraw/zinc/45/55/40/374455540.db2.gz RJTSGSZZSPBVLY-WDEREUQCSA-N 0 3 294.355 1.773 20 5 CDBDHN Cn1cccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376650880 374566081 /nfs/dbraw/zinc/56/60/81/374566081.db2.gz IHCZBRRAVIEABK-UHFFFAOYSA-N 0 3 289.339 1.967 20 5 CDBDHN CCN1C[C@@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449523662 374818025 /nfs/dbraw/zinc/81/80/25/374818025.db2.gz YYKVNIBJSGYQIR-AAEUAGOBSA-N 0 3 291.351 1.736 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000277453135 374787721 /nfs/dbraw/zinc/78/77/21/374787721.db2.gz GQQSXECXAXXLLY-JZUADKBYSA-N 0 3 289.335 1.817 20 5 CDBDHN Cc1ccc(NC(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000332298866 375024203 /nfs/dbraw/zinc/02/42/03/375024203.db2.gz KSDUKDGTXZGPKY-UHFFFAOYSA-N 0 3 278.312 1.730 20 5 CDBDHN CC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282465534 375088572 /nfs/dbraw/zinc/08/85/72/375088572.db2.gz NETZSUCUFXUZPN-CYBMUJFWSA-N 0 3 252.314 1.840 20 5 CDBDHN CN(CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491290199 375306156 /nfs/dbraw/zinc/30/61/56/375306156.db2.gz AUXDAZRNRLUOIX-WTKPLQERSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000357407151 375904425 /nfs/dbraw/zinc/90/44/25/375904425.db2.gz DYAPPCJGXUHVGK-BXKDBHETSA-N 0 3 295.314 1.946 20 5 CDBDHN CCC[C@@](C)(N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262211557 190050389 /nfs/dbraw/zinc/05/03/89/190050389.db2.gz DXTVQDFWYFJUSH-CYBMUJFWSA-N 0 3 291.311 1.927 20 5 CDBDHN C[C@@H]1NCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262814511 190063611 /nfs/dbraw/zinc/06/36/11/190063611.db2.gz RONQDETZGTYHAO-QWRGUYRKSA-N 0 3 277.324 1.346 20 5 CDBDHN C[C@@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000266276577 190245042 /nfs/dbraw/zinc/24/50/42/190245042.db2.gz SDNANKJWKCARQK-NSHDSACASA-N 0 3 294.355 1.097 20 5 CDBDHN CN(Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266434527 190257330 /nfs/dbraw/zinc/25/73/30/190257330.db2.gz LJOWWJFAKBODTM-AWEZNQCLSA-N 0 3 290.323 1.284 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C1Cc2ccccc2C1 ZINC000267083837 190302407 /nfs/dbraw/zinc/30/24/07/190302407.db2.gz NTWRQCPAPLEEIL-UHFFFAOYSA-N 0 3 286.335 1.891 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2noc(N3CCNCC3)n2)cc1 ZINC000420114227 285106886 /nfs/dbraw/zinc/10/68/86/285106886.db2.gz DEJLEWWOLKFIPC-UHFFFAOYSA-N 0 3 275.268 1.054 20 5 CDBDHN O=[N+]([O-])c1cncc(Br)c1N1CCNCC1 ZINC000221199866 285187278 /nfs/dbraw/zinc/18/72/78/285187278.db2.gz QEDBMJGXNQYHFJ-UHFFFAOYSA-N 0 3 287.117 1.162 20 5 CDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cnnn1C ZINC000287432913 196856803 /nfs/dbraw/zinc/85/68/03/196856803.db2.gz SZNGVPZFKXYADW-NSHDSACASA-N 0 3 289.339 1.834 20 5 CDBDHN CCN[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602439494 390220412 /nfs/dbraw/zinc/22/04/12/390220412.db2.gz GXQMXSKTQJOXNX-VIFPVBQESA-N 0 3 263.297 1.482 20 5 CDBDHN CC(C)N1CC[C@H](N(C)c2c([N+](=O)[O-])ncn2C)C1 ZINC000450948672 390580318 /nfs/dbraw/zinc/58/03/18/390580318.db2.gz HDVYWCKTIDKODG-JTQLQIEISA-N 0 3 267.333 1.247 20 5 CDBDHN C[C@H](C(=O)N1CCNC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396092599 390679908 /nfs/dbraw/zinc/67/99/08/390679908.db2.gz JRRLDXGUKIAUOW-NSHDSACASA-N 0 3 291.351 1.909 20 5 CDBDHN CC[C@@H](NC(=O)[C@@H](CN)OC)c1cccc([N+](=O)[O-])c1 ZINC000289835555 390941384 /nfs/dbraw/zinc/94/13/84/390941384.db2.gz DVISPQBFWXPYRG-VXGBXAGGSA-N 0 3 281.312 1.136 20 5 CDBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517084994 390968261 /nfs/dbraw/zinc/96/82/61/390968261.db2.gz KHIUOUFWZSTJTO-NSHDSACASA-N 0 3 294.355 1.395 20 5 CDBDHN CCC[C@](C)(N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000519708487 391204053 /nfs/dbraw/zinc/20/40/53/391204053.db2.gz FWYSCPCQWOUMDD-AWEZNQCLSA-N 0 3 295.339 1.607 20 5 CDBDHN COc1ccc(CNC(=O)[C@@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000295210239 533638929 /nfs/dbraw/zinc/63/89/29/533638929.db2.gz AIROJXQONRIZCY-SECBINFHSA-N 0 3 293.323 1.360 20 5 CDBDHN CNC(=O)CCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000192660454 391746775 /nfs/dbraw/zinc/74/67/75/391746775.db2.gz AICHTQBZOARAFD-UHFFFAOYSA-N 0 3 251.286 1.163 20 5 CDBDHN CCC[C@H](C)[C@H](CO)NCc1c([N+](=O)[O-])ncn1C ZINC000574210237 391876942 /nfs/dbraw/zinc/87/69/42/391876942.db2.gz PLQCQIQCBTVTFL-UWVGGRQHSA-N 0 3 270.333 1.215 20 5 CDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CNCCC1(F)F ZINC000591674061 391981253 /nfs/dbraw/zinc/98/12/53/391981253.db2.gz DWZPDEWFGHNKLU-NSHDSACASA-N 0 3 299.277 1.456 20 5 CDBDHN C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248920976 131118951 /nfs/dbraw/zinc/11/89/51/131118951.db2.gz KSZBBIGRRKDHLI-MFKMUULPSA-N 0 3 250.298 1.798 20 5 CDBDHN CC[C@@H](N)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000129333497 392803516 /nfs/dbraw/zinc/80/35/16/392803516.db2.gz DCNYBNAKPUDAKX-SNVBAGLBSA-N 0 3 281.268 1.057 20 5 CDBDHN CN1C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425050697 392985888 /nfs/dbraw/zinc/98/58/88/392985888.db2.gz RSHAWFCLZFZIKX-GXTWGEPZSA-N 0 3 289.335 1.761 20 5 CDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CNCCC1(F)F ZINC000449656835 393137315 /nfs/dbraw/zinc/13/73/15/393137315.db2.gz MOBXELMZWAWAJV-LLVKDONJSA-N 0 3 299.277 1.251 20 5 CDBDHN Cn1ccc(CCNCc2cccc([N+](=O)[O-])c2)n1 ZINC000230880455 140214383 /nfs/dbraw/zinc/21/43/83/140214383.db2.gz JEKDROWRBOVGFD-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000312618904 149236122 /nfs/dbraw/zinc/23/61/22/149236122.db2.gz WGPPVPNWAVBUGY-NOZJJQNGSA-N 0 3 284.287 1.363 20 5 CDBDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000343585035 152233394 /nfs/dbraw/zinc/23/33/94/152233394.db2.gz CULNFEDJYUOFNV-SNVBAGLBSA-N 0 3 280.328 1.527 20 5 CDBDHN CN1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)C1 ZINC000346262312 153115899 /nfs/dbraw/zinc/11/58/99/153115899.db2.gz AJJYIGBNOPGSRO-CYBMUJFWSA-N 0 3 278.312 1.091 20 5 CDBDHN CS[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000286622607 286708726 /nfs/dbraw/zinc/70/87/26/286708726.db2.gz VZCGWOINHDMVON-CHWSQXEVSA-N 0 3 296.396 1.659 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC3CCC2CC3)n1 ZINC000362340060 159124852 /nfs/dbraw/zinc/12/48/52/159124852.db2.gz JRJIMLQWHZLPHQ-UHFFFAOYSA-N 0 3 250.302 1.666 20 5 CDBDHN COCCOCCCNCc1cccc([N+](=O)[O-])c1 ZINC000020192754 171058911 /nfs/dbraw/zinc/05/89/11/171058911.db2.gz WLUBLVCWSYBSSE-UHFFFAOYSA-N 0 3 268.313 1.738 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc[nH]1 ZINC000285349046 196257835 /nfs/dbraw/zinc/25/78/35/196257835.db2.gz PLMYOQWWUWNJNL-UHFFFAOYSA-N 0 3 260.297 1.992 20 5 CDBDHN C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N(C)C ZINC000037985895 173946993 /nfs/dbraw/zinc/94/69/93/173946993.db2.gz VLBXLGPTKGKKQX-MRVPVSSYSA-N 0 3 266.301 1.056 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676254 174373775 /nfs/dbraw/zinc/37/37/75/174373775.db2.gz AYZCJNKQXVUTTH-GXFFZTMASA-N 0 3 279.340 1.627 20 5 CDBDHN Cc1nn(C)c(NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000040768096 174398632 /nfs/dbraw/zinc/39/86/32/174398632.db2.gz LDQBJRQTPNTQKA-UHFFFAOYSA-N 0 3 281.360 1.925 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCC1(N(C)C)CC1 ZINC000397820721 270351010 /nfs/dbraw/zinc/35/10/10/270351010.db2.gz DTETXSVPLFJURD-UHFFFAOYSA-N 0 3 267.333 1.626 20 5 CDBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000395446639 270343442 /nfs/dbraw/zinc/34/34/42/270343442.db2.gz XNVWVDKTRCXDNY-QPUJVOFHSA-N 0 3 256.277 1.983 20 5 CDBDHN CC(C)CN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286870593 275577242 /nfs/dbraw/zinc/57/72/42/275577242.db2.gz HSOQAZIXFNFHAX-UHFFFAOYSA-N 0 3 278.356 1.955 20 5 CDBDHN CN(C)C1CN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432323536 276775647 /nfs/dbraw/zinc/77/56/47/276775647.db2.gz COUQPRJKVLXEMP-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN COCCN1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000268891119 277226233 /nfs/dbraw/zinc/22/62/33/277226233.db2.gz JJSWVHUURASZJY-GXTWGEPZSA-N 0 3 293.367 1.966 20 5 CDBDHN CC(C)[C@@](C)(NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000289455948 277849934 /nfs/dbraw/zinc/84/99/34/277849934.db2.gz XTPZEXRCRDOQQX-CQSZACIVSA-N 0 3 279.340 1.627 20 5 CDBDHN CN(C)CCSCCn1cc([N+](=O)[O-])ccc1=O ZINC000160167935 292779345 /nfs/dbraw/zinc/77/93/45/292779345.db2.gz ZRMJQBJIPNORNB-UHFFFAOYSA-N 0 3 271.342 1.051 20 5 CDBDHN CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000552032593 290044195 /nfs/dbraw/zinc/04/41/95/290044195.db2.gz MGENIACIUDHRIE-NSHDSACASA-N 0 3 294.355 1.538 20 5 CDBDHN CCOC(=O)C[C@H](C)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000182658028 323292717 /nfs/dbraw/zinc/29/27/17/323292717.db2.gz SVBPIRLAAPKRHC-JTQLQIEISA-N 0 3 284.316 1.065 20 5 CDBDHN CNc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000579241572 324138694 /nfs/dbraw/zinc/13/86/94/324138694.db2.gz CJEIBQNBVZZTQB-UWVGGRQHSA-N 0 3 292.339 1.459 20 5 CDBDHN CN(C)CCN(c1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC000582879046 325060682 /nfs/dbraw/zinc/06/06/82/325060682.db2.gz WKWGDNGOYAQOEH-UHFFFAOYSA-N 0 3 279.344 1.695 20 5 CDBDHN C[C@H](O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583703766 325227242 /nfs/dbraw/zinc/22/72/42/325227242.db2.gz JAKLJMBYDKMISC-JOYOIKCWSA-N 0 3 250.298 1.943 20 5 CDBDHN C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1 ZINC000420238384 518180225 /nfs/dbraw/zinc/18/02/25/518180225.db2.gz LBHBBBPUSDPRLP-SECBINFHSA-N 0 3 262.313 1.361 20 5 CDBDHN COCCCN(C)CCNc1ccccc1[N+](=O)[O-] ZINC000078372746 523228974 /nfs/dbraw/zinc/22/89/74/523228974.db2.gz KOQFLZIATGAWAZ-UHFFFAOYSA-N 0 3 267.329 1.975 20 5 CDBDHN COCCN(C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000061379485 523615725 /nfs/dbraw/zinc/61/57/25/523615725.db2.gz JQSPEBHNDSSHHA-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000433859831 535321884 /nfs/dbraw/zinc/32/18/84/535321884.db2.gz VMEUHMYRNBIPSF-UHFFFAOYSA-N 0 3 295.343 1.267 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCNCC2)c1 ZINC000422720302 535426360 /nfs/dbraw/zinc/42/63/60/535426360.db2.gz ZCMCBQYHKGPYMD-UHFFFAOYSA-N 0 3 293.323 1.429 20 5 CDBDHN COC(=O)c1ccc(OC[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000187671688 538448433 /nfs/dbraw/zinc/44/84/33/538448433.db2.gz SYKZMGWENYNGPE-SNVBAGLBSA-N 0 3 294.307 1.712 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CC2)c2c(c1)COCO2 ZINC000734161770 575160810 /nfs/dbraw/zinc/16/08/10/575160810.db2.gz YZBAZMYOJUOPFI-ZDUSSCGKSA-N 0 3 294.307 1.322 20 5 CDBDHN C[C@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000742241273 576591476 /nfs/dbraw/zinc/59/14/76/576591476.db2.gz UEPDYEBIICAIGH-NSHDSACASA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@@H](N[C@H](CO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763069014 576708026 /nfs/dbraw/zinc/70/80/26/576708026.db2.gz NZCCAQSQSABUSO-BXKDBHETSA-N 0 3 293.323 1.282 20 5 CDBDHN Cc1nc(N[C@@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000123831227 1175270284 /nfs/dbraw/zinc/27/02/84/1175270284.db2.gz OPUKAYJCFJYUHP-LLVKDONJSA-N 0 3 262.313 1.804 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)ncn2C)[N+](=O)[O-] ZINC000813103904 617342551 /nfs/dbraw/zinc/34/25/51/617342551.db2.gz HYYXMWJAVNHIGP-QMMMGPOBSA-N 0 3 263.253 1.395 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000894435988 618885834 /nfs/dbraw/zinc/88/58/34/618885834.db2.gz GMMAUDNJCSXNDG-MNOVXSKESA-N 0 3 279.344 1.757 20 5 CDBDHN CCC1(C[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])COC1 ZINC000894750175 619043231 /nfs/dbraw/zinc/04/32/31/619043231.db2.gz GYIGMGJPJZIMPJ-UHFFFAOYSA-N 0 3 296.323 1.825 20 5 CDBDHN C[C@H]1CN(Cc2cccc(CNCC[N+](=O)[O-])c2)CCO1 ZINC000905060114 626609661 /nfs/dbraw/zinc/60/96/61/626609661.db2.gz KIOKQNLXTVAZMM-ZDUSSCGKSA-N 0 3 293.367 1.274 20 5 CDBDHN CN(C)[C@@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905143480 626655362 /nfs/dbraw/zinc/65/53/62/626655362.db2.gz AHPAJMDLWRYZFE-LBPRGKRZSA-N 0 3 271.748 1.809 20 5 CDBDHN CCC[C@@H](NCC[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000905360381 626770022 /nfs/dbraw/zinc/77/00/22/626770022.db2.gz MZWMNPDKYJHBMM-OLZOCXBDSA-N 0 3 252.314 1.755 20 5 CDBDHN CC(COC(=O)Cc1cnn2ccccc12)[N+](=O)[O-] ZINC000842801842 682344727 /nfs/dbraw/zinc/34/47/27/682344727.db2.gz NLSVJQQGVZEWHN-SECBINFHSA-N 0 3 263.253 1.085 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](CCO)C2)cc1 ZINC000776581918 681529933 /nfs/dbraw/zinc/52/99/33/681529933.db2.gz IZAGULXSLXADLU-WFASDCNBSA-N 0 3 294.351 1.723 20 5 CDBDHN CC(COC(=O)[C@@H](C)NC(=O)c1cccs1)[N+](=O)[O-] ZINC000813114925 681734306 /nfs/dbraw/zinc/73/43/06/681734306.db2.gz XVSZIGVKFKHANM-JGVFFNPUSA-N 0 3 286.309 1.075 20 5 CDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000796201211 681764021 /nfs/dbraw/zinc/76/40/21/681764021.db2.gz GCZPHOHFAJUSPM-ZIAGYGMSSA-N 0 3 280.324 1.739 20 5 CDBDHN CN1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000858611855 681764472 /nfs/dbraw/zinc/76/44/72/681764472.db2.gz UKWLNHZHWMBNDQ-UHFFFAOYSA-N 0 3 290.367 1.278 20 5 CDBDHN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)cc(Cl)n1 ZINC000797602403 681841337 /nfs/dbraw/zinc/84/13/37/681841337.db2.gz QPLJNQKINNYQFU-UHFFFAOYSA-N 0 3 295.730 1.938 20 5 CDBDHN Cc1c(CNCCNc2cnccn2)cccc1[N+](=O)[O-] ZINC000873078521 682202223 /nfs/dbraw/zinc/20/22/23/682202223.db2.gz KXSVVFORHDPNGE-UHFFFAOYSA-N 0 3 287.323 1.895 20 5 CDBDHN CC(C)c1ccc(CN[C@@H]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000886241419 682296130 /nfs/dbraw/zinc/29/61/30/682296130.db2.gz YEFOYUZUOSBNFJ-UWEBFBLFSA-N 0 3 294.351 1.692 20 5 CDBDHN CC(=O)N1CCc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc21 ZINC000813109286 682486650 /nfs/dbraw/zinc/48/66/50/682486650.db2.gz HPABXQDLOLUJBL-VIFPVBQESA-N 0 3 292.291 1.418 20 5 CDBDHN Cc1ccc(NCCN(C)CCO)c([N+](=O)[O-])c1 ZINC000884823730 683358090 /nfs/dbraw/zinc/35/80/90/683358090.db2.gz BPWUWRFBCMBEMU-UHFFFAOYSA-N 0 3 253.302 1.239 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H](O)C2)cc1Cl ZINC000827826463 683844684 /nfs/dbraw/zinc/84/46/84/683844684.db2.gz GYQULQHLFZIMAY-KYZUINATSA-N 0 3 256.689 1.861 20 5 CDBDHN C[C@H](O)CCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279838 683883733 /nfs/dbraw/zinc/88/37/33/683883733.db2.gz YIGKCOGPZFAXKK-GWCFXTLKSA-N 0 3 268.313 1.331 20 5 CDBDHN CC(COC(=O)C[C@H](C)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113676 684083264 /nfs/dbraw/zinc/08/32/64/684083264.db2.gz SKECDGRGHIGWTI-WDEREUQCSA-N 0 3 294.307 1.403 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](F)[C@H](O)C1 ZINC001173219965 912301775 /nfs/dbraw/zinc/30/17/75/912301775.db2.gz ADSJXWGYIHOOQI-LERXQTSPSA-N 0 3 282.315 1.931 20 5 CDBDHN CC(=O)N[C@@H]1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229899 912321174 /nfs/dbraw/zinc/32/11/74/912321174.db2.gz BNYQIBIQZNHWQG-SMDDNHRTSA-N 0 3 291.351 1.736 20 5 CDBDHN CN1CC[C@H](Nc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001167272784 895017402 /nfs/dbraw/zinc/01/74/02/895017402.db2.gz DBRJAXPNQUYSHC-QMMMGPOBSA-N 0 3 291.286 1.793 20 5 CDBDHN C[C@@H]1COC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000699772562 914243911 /nfs/dbraw/zinc/24/39/11/914243911.db2.gz DOFRFDCEMHLFPR-LDYMZIIASA-N 0 3 254.261 1.858 20 5 CDBDHN C[C@H](CCO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001165903862 925041619 /nfs/dbraw/zinc/04/16/19/925041619.db2.gz CAXHSDOOBXSNMN-MRVPVSSYSA-N 0 3 251.286 1.381 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3cccnn3)CC2)C1 ZINC001169033983 927641607 /nfs/dbraw/zinc/64/16/07/927641607.db2.gz DWLSSBNPWUHVIP-OLZOCXBDSA-N 0 3 291.355 1.044 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3ccncc3C2)C1 ZINC001169037990 927647483 /nfs/dbraw/zinc/64/74/83/927647483.db2.gz UUOUXVYFWJIMBA-RISCZKNCSA-N 0 3 261.325 1.885 20 5 CDBDHN COC(=O)[C@H](C(C)C)N(C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039976 927653336 /nfs/dbraw/zinc/65/33/36/927653336.db2.gz WNDWBEHPVZIBLT-UTUOFQBUSA-N 0 3 272.345 1.561 20 5 CDBDHN Cc1cc(CN)nn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001156038928 938312872 /nfs/dbraw/zinc/31/28/72/938312872.db2.gz ZNFQCFFUWAPZFN-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN CN1CC[C@H](Nc2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001156580538 938388352 /nfs/dbraw/zinc/38/83/52/938388352.db2.gz NKVJXGLMZOVPJI-VIFPVBQESA-N 0 3 273.296 1.654 20 5 CDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1nc(CN)c2ccccc21 ZINC001156860599 938426771 /nfs/dbraw/zinc/42/67/71/938426771.db2.gz OSJUJWGKRBDCSG-UHFFFAOYSA-N 0 3 299.290 1.334 20 5 CDBDHN C[C@@H](Nc1cc([N+](=O)[O-])c2cc[nH]c2n1)[C@@H]1CNCCO1 ZINC001159496743 938733738 /nfs/dbraw/zinc/73/37/38/938733738.db2.gz FLUKAMYZFUWCLT-KCJUWKMLSA-N 0 3 291.311 1.260 20 5 CDBDHN CC(C)(C)c1cnc(-n2nccc2CN)c([N+](=O)[O-])c1 ZINC001162591385 939096395 /nfs/dbraw/zinc/09/63/95/939096395.db2.gz QYLIQBYCEKXSIR-UHFFFAOYSA-N 0 3 275.312 1.932 20 5 CDBDHN NCc1ccnn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001162592504 939097893 /nfs/dbraw/zinc/09/78/93/939097893.db2.gz HLDYWTDRFMBRFO-UHFFFAOYSA-N 0 3 276.281 1.244 20 5 CDBDHN Cc1cc(CN)nn1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001163986172 939373384 /nfs/dbraw/zinc/37/33/84/939373384.db2.gz WQBQDPKMXNZEJG-UHFFFAOYSA-N 0 3 251.221 1.082 20 5 CDBDHN Cc1cnc(N2CC(C)(N(C)C)C2)c([N+](=O)[O-])c1 ZINC001165116499 939511440 /nfs/dbraw/zinc/51/14/40/939511440.db2.gz DZGBZXHATSZQSY-UHFFFAOYSA-N 0 3 250.302 1.439 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1ccc2c([O-])coc2c1 ZINC001225340044 941845686 /nfs/dbraw/zinc/84/56/86/941845686.db2.gz AQFWIVKABMXTIW-SNVBAGLBSA-N 0 3 250.318 1.735 20 5 CDBDHN CCN1CCC[C@@H](Oc2ccc([N+](=O)[O-])cn2)C1 ZINC001225633542 941892481 /nfs/dbraw/zinc/89/24/81/941892481.db2.gz QCHAYYXPJUEVOX-LLVKDONJSA-N 0 3 251.286 1.853 20 5 CDBDHN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225916883 941928861 /nfs/dbraw/zinc/92/88/61/941928861.db2.gz XFIKJXINJATNKD-LLVKDONJSA-N 0 3 284.287 1.833 20 5 CDBDHN CN1CCC(Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])CC1 ZINC001233573002 943619854 /nfs/dbraw/zinc/61/98/54/943619854.db2.gz KGSOGHUBRPTOQM-UHFFFAOYSA-N 0 3 281.268 1.976 20 5 CDBDHN CC(COC(=O)c1cc2c(cc1Cl)NC(=O)C2)[N+](=O)[O-] ZINC001263502615 943875404 /nfs/dbraw/zinc/87/54/04/943875404.db2.gz XYEDOSOBWRRYJA-ZCFIWIBFSA-N 0 3 298.682 1.657 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cc(CN)cnc1=N ZINC001254543767 947517774 /nfs/dbraw/zinc/51/77/74/947517774.db2.gz GYHPIQOFBMLFRD-JTQLQIEISA-N 0 3 287.323 1.533 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC[C@H](O)C(F)(F)F)C2 ZINC001254579113 947538430 /nfs/dbraw/zinc/53/84/30/947538430.db2.gz PRYNXRFWKTUPJT-ONGXEEELSA-N 0 3 290.241 1.575 20 5 CDBDHN NCc1ccn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254584432 947540629 /nfs/dbraw/zinc/54/06/29/947540629.db2.gz SFHDRHJNPCIFBR-ZDUSSCGKSA-N 0 3 258.281 1.590 20 5 CDBDHN O=[N+]([O-])c1sccc1NC[C@@H](O)CN1CCCCC1 ZINC000601179599 342487963 /nfs/dbraw/zinc/48/79/63/342487963.db2.gz YWVLYNKCLPLFSV-SNVBAGLBSA-N 0 3 285.369 1.915 20 5 CDBDHN COC[C@@H](C)OC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000234776388 342046949 /nfs/dbraw/zinc/04/69/49/342046949.db2.gz SGEFOXGNHLWPDI-RISCZKNCSA-N 0 3 298.339 1.097 20 5 CDBDHN CC[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000125220783 187175412 /nfs/dbraw/zinc/17/54/12/187175412.db2.gz GDDVBODVROVTTH-SNVBAGLBSA-N 0 3 277.324 1.926 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000592244592 342681061 /nfs/dbraw/zinc/68/10/61/342681061.db2.gz DPGIXOIJHXNYFV-CYBMUJFWSA-N 0 3 277.324 1.665 20 5 CDBDHN CCN1C[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000593684852 342822277 /nfs/dbraw/zinc/82/22/77/342822277.db2.gz BOGIGBQXXRDPGM-SNVBAGLBSA-N 0 3 295.314 1.692 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593465510 342803649 /nfs/dbraw/zinc/80/36/49/342803649.db2.gz ALFRJRNEMIGIJF-GFCCVEGCSA-N 0 3 295.314 1.487 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417091 342902907 /nfs/dbraw/zinc/90/29/07/342902907.db2.gz ABXQNWLKJHISCP-AAEUAGOBSA-N 0 3 292.339 1.670 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](CO)CCF ZINC000594508775 342914833 /nfs/dbraw/zinc/91/48/33/342914833.db2.gz WBASIGKCAROZGE-BXKDBHETSA-N 0 3 268.288 1.892 20 5 CDBDHN COC[C@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019525 342995844 /nfs/dbraw/zinc/99/58/44/342995844.db2.gz QKUKBTVRPYXGIJ-IINYFYTJSA-N 0 3 298.339 1.651 20 5 CDBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC/C=C/CO ZINC000595072265 343002668 /nfs/dbraw/zinc/00/26/68/343002668.db2.gz RCUFDQZRYYJFFJ-VUDBWIFFSA-N 0 3 293.323 1.450 20 5 CDBDHN COc1ccc(CNCCOCCF)cc1[N+](=O)[O-] ZINC000596057005 343222519 /nfs/dbraw/zinc/22/25/19/343222519.db2.gz FHHFDXDKQXWWFK-UHFFFAOYSA-N 0 3 272.276 1.679 20 5 CDBDHN CN(CCNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087190361 342386014 /nfs/dbraw/zinc/38/60/14/342386014.db2.gz QZPFQAAOHHBJSG-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN CC(C)(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000596337083 343297751 /nfs/dbraw/zinc/29/77/51/343297751.db2.gz UBXYQZCTVYNLMA-QMMMGPOBSA-N 0 3 280.332 1.082 20 5 CDBDHN C[C@@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596426485 343312047 /nfs/dbraw/zinc/31/20/47/343312047.db2.gz AQHWYYCQQXNTIZ-QMMMGPOBSA-N 0 3 254.290 1.448 20 5 CDBDHN Cc1c([C@@H](C)NCCN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000599094821 343953913 /nfs/dbraw/zinc/95/39/13/343953913.db2.gz YWGWVMZUKTTXIJ-OLZOCXBDSA-N 0 3 293.367 1.620 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599571905 344090941 /nfs/dbraw/zinc/09/09/41/344090941.db2.gz WTPQQZDOGHAUST-UHFFFAOYSA-N 0 3 280.324 1.942 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000601675948 344218585 /nfs/dbraw/zinc/21/85/85/344218585.db2.gz PRTSICNNBWRDTM-NSHDSACASA-N 0 3 295.314 1.804 20 5 CDBDHN CCN[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000602439492 344417327 /nfs/dbraw/zinc/41/73/27/344417327.db2.gz GXQMXSKTQJOXNX-SECBINFHSA-N 0 3 263.297 1.482 20 5 CDBDHN CCOC1CC(N(C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602826553 344612091 /nfs/dbraw/zinc/61/20/91/344612091.db2.gz HPOOFBDDQFBRFZ-UHFFFAOYSA-N 0 3 282.344 1.599 20 5 CDBDHN COC(C)(C)CN(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602788274 344600656 /nfs/dbraw/zinc/60/06/56/344600656.db2.gz MSRJYEHTZMKLAK-UHFFFAOYSA-N 0 3 270.333 1.457 20 5 CDBDHN COCCN(C)C[C@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000314151947 344910244 /nfs/dbraw/zinc/91/02/44/344910244.db2.gz MPGYKPONKPTNBO-LBPRGKRZSA-N 0 3 298.339 1.221 20 5 CDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000609877890 346031379 /nfs/dbraw/zinc/03/13/79/346031379.db2.gz QCVXYQSEGAGCJT-NSHDSACASA-N 0 3 294.355 1.538 20 5 CDBDHN CC(C)N1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612780606 347282613 /nfs/dbraw/zinc/28/26/13/347282613.db2.gz JOHZGAIPRMMCOT-UHFFFAOYSA-N 0 3 265.317 1.305 20 5 CDBDHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000086467873 179298620 /nfs/dbraw/zinc/29/86/20/179298620.db2.gz FBMLEBGFEFJLRR-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN CC1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551222 180002501 /nfs/dbraw/zinc/00/25/01/180002501.db2.gz VSUUKBXBBPYOBN-UHFFFAOYSA-N 0 3 265.313 1.488 20 5 CDBDHN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000122657390 187044434 /nfs/dbraw/zinc/04/44/34/187044434.db2.gz PZYZWPSASVMKED-BDAKNGLRSA-N 0 3 281.287 1.556 20 5 CDBDHN CNCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000152876832 188050024 /nfs/dbraw/zinc/05/00/24/188050024.db2.gz XXTRJCIAJLIAAH-UHFFFAOYSA-N 0 3 265.313 1.551 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@H](CCO)c2ccccc2)n1 ZINC000271707078 191284461 /nfs/dbraw/zinc/28/44/61/191284461.db2.gz UNXZEDNHUIXFBE-CYBMUJFWSA-N 0 3 290.323 1.505 20 5 CDBDHN COC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268934320 366150531 /nfs/dbraw/zinc/15/05/31/366150531.db2.gz RISNEENERIBABV-QWRGUYRKSA-N 0 3 268.313 1.561 20 5 CDBDHN C[C@@H]1C[C@H](O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000340911484 363558104 /nfs/dbraw/zinc/55/81/04/363558104.db2.gz FLPSPZJWNRCQNO-MNOVXSKESA-N 0 3 266.297 1.429 20 5 CDBDHN CCCN(C)CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360514551 357343482 /nfs/dbraw/zinc/34/34/82/357343482.db2.gz IYUFOJIONOLWRW-UHFFFAOYSA-N 0 3 279.340 1.861 20 5 CDBDHN CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)N(C)C ZINC000360526017 357359854 /nfs/dbraw/zinc/35/98/54/357359854.db2.gz CVLFMFXSIPJDEK-LBPRGKRZSA-N 0 3 279.340 1.860 20 5 CDBDHN C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190424362 358072146 /nfs/dbraw/zinc/07/21/46/358072146.db2.gz NFUGSLPOBMHZMR-GDLCADMTSA-N 0 3 280.324 1.331 20 5 CDBDHN COc1ccc(CNCCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000116919751 358152295 /nfs/dbraw/zinc/15/22/95/358152295.db2.gz ACVOJDVQWRKLRF-IBGZPJMESA-N 0 3 286.353 1.462 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408228228 358450702 /nfs/dbraw/zinc/45/07/02/358450702.db2.gz WKYMWYHPDWTEKD-JOYOIKCWSA-N 0 3 280.328 1.335 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(OC[C@H](O)CN(C)C2CC2)c1 ZINC000290495089 366531407 /nfs/dbraw/zinc/53/14/07/366531407.db2.gz AGBPAGWHMHNZFB-GFCCVEGCSA-N 0 3 280.324 1.737 20 5 CDBDHN COC[C@@H](O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539060762 358950400 /nfs/dbraw/zinc/95/04/00/358950400.db2.gz QUHMIVJMDANMTL-YPMHNXCESA-N 0 3 282.340 1.951 20 5 CDBDHN CC(C)NC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000047889338 359187914 /nfs/dbraw/zinc/18/79/14/359187914.db2.gz UFKGCFOUBOCHHR-UHFFFAOYSA-N 0 3 265.313 1.599 20 5 CDBDHN Cc1nc(N(C)[C@@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000297098909 200084680 /nfs/dbraw/zinc/08/46/80/200084680.db2.gz LAFDONXMWQPCDF-SNVBAGLBSA-N 0 3 265.317 1.224 20 5 CDBDHN C[C@H]1[C@@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000385839487 360358584 /nfs/dbraw/zinc/35/85/84/360358584.db2.gz VNUSRCLBKBVCGK-CMPLNLGQSA-N 0 3 250.298 1.798 20 5 CDBDHN CN1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000035084502 361223856 /nfs/dbraw/zinc/22/38/56/361223856.db2.gz GEYNEPAUGNGWFD-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN C[C@@H]1CCC[C@H](CO)N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383875 189295790 /nfs/dbraw/zinc/29/57/90/189295790.db2.gz LOHWALSBRKXTRD-DFBGVHRSSA-N 0 3 294.351 1.864 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509253 201037567 /nfs/dbraw/zinc/03/75/67/201037567.db2.gz AVPVWFBOUPCEIW-CMPLNLGQSA-N 0 3 264.329 1.766 20 5 CDBDHN COCCOCCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000223448282 361450621 /nfs/dbraw/zinc/45/06/21/361450621.db2.gz ZRCQPDIYIREMNH-UHFFFAOYSA-N 0 3 298.339 1.746 20 5 CDBDHN COCCCN(CCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000275436879 193037145 /nfs/dbraw/zinc/03/71/45/193037145.db2.gz JXDOYYSRGHYFJL-UHFFFAOYSA-N 0 3 298.339 1.304 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000269382166 368947533 /nfs/dbraw/zinc/94/75/33/368947533.db2.gz PHDRTJMGULTQPT-VIFPVBQESA-N 0 3 295.343 1.123 20 5 CDBDHN COC(=O)c1cnc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000276587721 193390945 /nfs/dbraw/zinc/39/09/45/193390945.db2.gz PPAQUIZQHRTHNI-MRVPVSSYSA-N 0 3 282.300 1.138 20 5 CDBDHN CCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000301245730 369907356 /nfs/dbraw/zinc/90/73/56/369907356.db2.gz LDFFPTFFSNIEJX-SECBINFHSA-N 0 3 280.332 1.253 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCN(C)C1 ZINC000194639331 372908913 /nfs/dbraw/zinc/90/89/13/372908913.db2.gz PVZBOPIMGLAVGM-GFCCVEGCSA-N 0 3 291.351 1.975 20 5 CDBDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000273032302 373692049 /nfs/dbraw/zinc/69/20/49/373692049.db2.gz DQIHUVVMLHCTBK-NSHDSACASA-N 0 3 264.329 1.910 20 5 CDBDHN CSCC[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000130803402 373743799 /nfs/dbraw/zinc/74/37/99/373743799.db2.gz RXPOOHRSNAWMAA-SNVBAGLBSA-N 0 3 283.353 1.922 20 5 CDBDHN Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000368383706 373835859 /nfs/dbraw/zinc/83/58/59/373835859.db2.gz GATCROCYCLWHOC-QWRGUYRKSA-N 0 3 281.287 1.333 20 5 CDBDHN CC(C)N1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000298748262 374125478 /nfs/dbraw/zinc/12/54/78/374125478.db2.gz VMBUZJZXZQSTKI-UHFFFAOYSA-N 0 3 280.332 1.252 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000421701879 374328414 /nfs/dbraw/zinc/32/84/14/374328414.db2.gz IRFRIWQFHRCFBQ-JTQLQIEISA-N 0 3 280.328 1.100 20 5 CDBDHN N[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000423834757 246128381 /nfs/dbraw/zinc/12/83/81/246128381.db2.gz CSHRGOIWXRKJPT-LBPRGKRZSA-N 0 3 297.742 1.992 20 5 CDBDHN O=C(N1CCc2ccc([N+](=O)[O-])cc21)[C@@]1(F)CCNC1 ZINC000370800349 374403006 /nfs/dbraw/zinc/40/30/06/374403006.db2.gz MEGCRPGAJQGZRF-CYBMUJFWSA-N 0 3 279.271 1.186 20 5 CDBDHN COc1ccc(CNCC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282359606 375081988 /nfs/dbraw/zinc/08/19/88/375081988.db2.gz NGAGUOAVHBDFKE-FQEVSTJZSA-N 0 3 298.364 1.604 20 5 CDBDHN Cc1nc(N(C)CCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000302232049 375182308 /nfs/dbraw/zinc/18/23/08/375182308.db2.gz CKFLAGQFQRSTNO-UHFFFAOYSA-N 0 3 264.329 1.829 20 5 CDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344735601 375359032 /nfs/dbraw/zinc/35/90/32/375359032.db2.gz XDOGRZWAADFJEE-NSHDSACASA-N 0 3 294.355 1.773 20 5 CDBDHN C[C@@H]1CCC[C@@H](CO)N1CCn1cc([N+](=O)[O-])cn1 ZINC000305193706 375568412 /nfs/dbraw/zinc/56/84/12/375568412.db2.gz DHNMZJKKMRTHJD-MNOVXSKESA-N 0 3 268.317 1.027 20 5 CDBDHN Cn1cnc(CCNC/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000344888369 375649553 /nfs/dbraw/zinc/64/95/53/375649553.db2.gz RDWVKEDRKWGYTP-XQRVVYSFSA-N 0 3 287.323 1.569 20 5 CDBDHN C[C@H]1OCC[C@]1(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000227979347 375659852 /nfs/dbraw/zinc/65/98/52/375659852.db2.gz RNNXDFACXWKVEW-MFKMUULPSA-N 0 3 266.297 1.224 20 5 CDBDHN COCCN(C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889573 375642808 /nfs/dbraw/zinc/64/28/08/375642808.db2.gz MDEYRBMLDOERFA-UHFFFAOYSA-N 0 3 289.282 1.863 20 5 CDBDHN COc1cc(C(=O)NCCN(C)C)c([N+](=O)[O-])cc1F ZINC000294163373 375721315 /nfs/dbraw/zinc/72/13/15/375721315.db2.gz BOLVGWDRGXMOMC-UHFFFAOYSA-N 0 3 285.275 1.034 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133583711 375803705 /nfs/dbraw/zinc/80/37/05/375803705.db2.gz DUVHAZUNOMVYPN-SNVBAGLBSA-N 0 3 281.287 1.558 20 5 CDBDHN C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000249004348 376116219 /nfs/dbraw/zinc/11/62/19/376116219.db2.gz ZFTZLXHMFAOFCA-FZMZJTMJSA-N 0 3 280.324 1.676 20 5 CDBDHN COCCN(CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347376214 376058030 /nfs/dbraw/zinc/05/80/30/376058030.db2.gz ZYNVXWKDAYYVET-JLHYYAGUSA-N 0 3 294.351 1.939 20 5 CDBDHN CCN(C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357326870 376983959 /nfs/dbraw/zinc/98/39/59/376983959.db2.gz ZOQXIWQNOXLAJV-UHFFFAOYSA-N 0 3 275.312 1.324 20 5 CDBDHN CC(C)(C)[C@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265424279 190180934 /nfs/dbraw/zinc/18/09/34/190180934.db2.gz KIFTVWSUALDXRI-LBPRGKRZSA-N 0 3 295.339 1.530 20 5 CDBDHN CC(C)N(C)CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089312638 377822405 /nfs/dbraw/zinc/82/24/05/377822405.db2.gz SVWPCBMEASERMO-UHFFFAOYSA-N 0 3 279.340 1.594 20 5 CDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCCN1CCCC1 ZINC000172979304 377793582 /nfs/dbraw/zinc/79/35/82/377793582.db2.gz GKJNOOPQHYQDHC-UHFFFAOYSA-N 0 3 277.324 1.349 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266069710 190228057 /nfs/dbraw/zinc/22/80/57/190228057.db2.gz KEJFOQMZUVWNTA-ONGXEEELSA-N 0 3 280.328 1.335 20 5 CDBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245594370 378596139 /nfs/dbraw/zinc/59/61/39/378596139.db2.gz QZJWYOVAPZAXET-RYUDHWBXSA-N 0 3 279.340 1.877 20 5 CDBDHN Cc1nc(N[C@@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450276844 251205142 /nfs/dbraw/zinc/20/51/42/251205142.db2.gz NZWQDZUVVUAFFK-SECBINFHSA-N 0 3 263.301 1.342 20 5 CDBDHN COC[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281318282 195195078 /nfs/dbraw/zinc/19/50/78/195195078.db2.gz ZQEKADIONWVNMK-QWRGUYRKSA-N 0 3 268.313 1.561 20 5 CDBDHN CN1CCN(CCNc2ncccc2[N+](=O)[O-])CC1(C)C ZINC000281586550 195297649 /nfs/dbraw/zinc/29/76/49/195297649.db2.gz GMZRNQYTFJGQEV-UHFFFAOYSA-N 0 3 293.371 1.428 20 5 CDBDHN O=C1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2)N1 ZINC000433171398 390497236 /nfs/dbraw/zinc/49/72/36/390497236.db2.gz AZXHUAPOZWJVMJ-NSHDSACASA-N 0 3 263.297 1.353 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000287320152 390874404 /nfs/dbraw/zinc/87/44/04/390874404.db2.gz WVQAMMXJQICMCK-JTQLQIEISA-N 0 3 297.380 1.753 20 5 CDBDHN Cc1cc(C(=O)NCC2(N(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000416300425 391983084 /nfs/dbraw/zinc/98/30/84/391983084.db2.gz ISBPKSKFLOEAET-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CN1C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])n3C)[C@@H]2C1 ZINC000425057148 392985147 /nfs/dbraw/zinc/98/51/47/392985147.db2.gz MBPIXFVEJUELLK-CMPLNLGQSA-N 0 3 292.339 1.100 20 5 CDBDHN Cc1c(C(=O)N[C@H]2CNCCC2(F)F)cccc1[N+](=O)[O-] ZINC000449656090 393137027 /nfs/dbraw/zinc/13/70/27/393137027.db2.gz JDHSYEYPJFNFPP-NSHDSACASA-N 0 3 299.277 1.630 20 5 CDBDHN CO[C@@H]1COC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000459756245 285795712 /nfs/dbraw/zinc/79/57/12/285795712.db2.gz NLFVWDGMZIDPTJ-MDUKQBBOSA-N 0 3 278.308 1.611 20 5 CDBDHN COCCNCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092495685 147013796 /nfs/dbraw/zinc/01/37/96/147013796.db2.gz YJVUBIKNTSWKCS-JTQLQIEISA-N 0 3 281.312 1.008 20 5 CDBDHN C[C@@H](NCCc1ncn(C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000094984720 147104015 /nfs/dbraw/zinc/10/40/15/147104015.db2.gz QSRKUUNGFSOFCA-SNVBAGLBSA-N 0 3 275.312 1.617 20 5 CDBDHN CO[C@]1(C)C[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286881 148034959 /nfs/dbraw/zinc/03/49/59/148034959.db2.gz LACHCSMGLCKJRI-SMDDNHRTSA-N 0 3 296.371 1.927 20 5 CDBDHN CCCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000343970792 152374179 /nfs/dbraw/zinc/37/41/79/152374179.db2.gz IQKQAURIKUSQEZ-SNVBAGLBSA-N 0 3 265.317 1.093 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](C)C1 ZINC000349878282 154253984 /nfs/dbraw/zinc/25/39/84/154253984.db2.gz VQJJXICXZXLEFH-ZJUUUORDSA-N 0 3 295.343 1.168 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CC[C@@H](CO)O1 ZINC000353709807 156032326 /nfs/dbraw/zinc/03/23/26/156032326.db2.gz SGWRIOSHRFCDRS-RDJPRVRMSA-N 0 3 292.335 1.738 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CC[C@H](CO)O1 ZINC000353709809 156032457 /nfs/dbraw/zinc/03/24/57/156032457.db2.gz SGWRIOSHRFCDRS-XEKFUKFUSA-N 0 3 292.335 1.738 20 5 CDBDHN C[C@H](NC[C@@H](CO)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000360882354 158659864 /nfs/dbraw/zinc/65/98/64/158659864.db2.gz DMDVMOUPLZQVPV-YUTCNCBUSA-N 0 3 294.351 1.890 20 5 CDBDHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268106 196237607 /nfs/dbraw/zinc/23/76/07/196237607.db2.gz QRNMHKJTWCKDHR-CKLFPEKLSA-N 0 3 279.340 1.987 20 5 CDBDHN CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000046468211 175396967 /nfs/dbraw/zinc/39/69/67/175396967.db2.gz VAOYERSZSKLIAD-UHFFFAOYSA-N 0 3 277.324 1.761 20 5 CDBDHN COCCCN(C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000078372858 177335986 /nfs/dbraw/zinc/33/59/86/177335986.db2.gz GZZVFUOVDUPBGQ-UHFFFAOYSA-N 0 3 285.348 1.017 20 5 CDBDHN C[C@@]1(F)CNCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414765372 263040777 /nfs/dbraw/zinc/04/07/77/263040777.db2.gz BXOWYDFQXLKIOZ-CYBMUJFWSA-N 0 3 285.294 1.867 20 5 CDBDHN C[C@@H]1CN(C)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000408450437 274334063 /nfs/dbraw/zinc/33/40/63/274334063.db2.gz JEZVAZUPWZIRBM-SECBINFHSA-N 0 3 275.312 1.611 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H]2CN2CCCC2)nc1 ZINC000275084251 275040846 /nfs/dbraw/zinc/04/08/46/275040846.db2.gz ZFWQTYQUEQTJAB-LLVKDONJSA-N 0 3 277.328 1.449 20 5 CDBDHN CN1C[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000192553002 277199603 /nfs/dbraw/zinc/19/96/03/277199603.db2.gz LSSDFOLUPNFTEW-OCAPTIKFSA-N 0 3 254.315 1.049 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)NC[C@H]1C ZINC000261667591 535969584 /nfs/dbraw/zinc/96/95/84/535969584.db2.gz ZPLUIYVINBDORT-DTWKUNHWSA-N 0 3 267.333 1.306 20 5 CDBDHN CC(C)C[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943178 519366646 /nfs/dbraw/zinc/36/66/46/519366646.db2.gz IZQNVPJBPJZMSR-LBPRGKRZSA-N 0 3 265.313 1.584 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](CO)C2)cc1 ZINC000304315430 527372430 /nfs/dbraw/zinc/37/24/30/527372430.db2.gz RLUNSVGSZIWRCF-LLVKDONJSA-N 0 3 266.297 1.288 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1COCCO1 ZINC000338715470 527397588 /nfs/dbraw/zinc/39/75/88/527397588.db2.gz GOGNJMMCDBRIII-MASHWEEQSA-N 0 3 278.308 1.613 20 5 CDBDHN CCN(CCOC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273044423 528562721 /nfs/dbraw/zinc/56/27/21/528562721.db2.gz PQPXWRTZECZTTF-GFCCVEGCSA-N 0 3 298.339 1.303 20 5 CDBDHN CCN1CCCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000731902717 575069691 /nfs/dbraw/zinc/06/96/91/575069691.db2.gz LWMDQMFXGLMLCG-UHFFFAOYSA-N 0 3 289.339 1.775 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CO)C1CC1 ZINC000771822420 575620499 /nfs/dbraw/zinc/62/04/99/575620499.db2.gz XHHSMFKQQIRVQJ-ZDUSSCGKSA-N 0 3 280.324 1.854 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CO)C1CC1 ZINC000771822417 575620528 /nfs/dbraw/zinc/62/05/28/575620528.db2.gz XHHSMFKQQIRVQJ-CYBMUJFWSA-N 0 3 280.324 1.854 20 5 CDBDHN CC(COC(=O)CCc1cccnc1Cl)[N+](=O)[O-] ZINC000851036230 617565732 /nfs/dbraw/zinc/56/57/32/617565732.db2.gz GPGFANVUUNTVOH-QMMMGPOBSA-N 0 3 272.688 1.876 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]CC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000893531539 618044160 /nfs/dbraw/zinc/04/41/60/618044160.db2.gz KTFNTYHYTXBOPL-JTQLQIEISA-N 0 3 296.323 1.825 20 5 CDBDHN COc1ccc(CCC(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000893048464 618100759 /nfs/dbraw/zinc/10/07/59/618100759.db2.gz VPQRSUZIRNFOIG-VIFPVBQESA-N 0 3 268.269 1.231 20 5 CDBDHN COc1c(O)ccc(CNC[C@@H](OC)C2CC2)c1[N+](=O)[O-] ZINC000894631597 618997966 /nfs/dbraw/zinc/99/79/66/618997966.db2.gz IGVHQIMBVKGHJP-GFCCVEGCSA-N 0 3 296.323 1.824 20 5 CDBDHN COc1ccccc1C1(CNCC[N+](=O)[O-])CC1 ZINC000905084010 626602206 /nfs/dbraw/zinc/60/22/06/626602206.db2.gz YPZLMKCOXWOYQX-UHFFFAOYSA-N 0 3 250.298 1.593 20 5 CDBDHN O=[N+]([O-])CCN[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000905121848 626632339 /nfs/dbraw/zinc/63/23/39/626632339.db2.gz GXTNZYXIJISXNS-GFCCVEGCSA-N 0 3 267.304 1.661 20 5 CDBDHN CC(C)(CO)[C@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000905178709 626663046 /nfs/dbraw/zinc/66/30/46/626663046.db2.gz CIXLIFLQFYTRHB-CYBMUJFWSA-N 0 3 266.341 1.655 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000063055025 685393133 /nfs/dbraw/zinc/39/31/33/685393133.db2.gz CSSYZGMDORMDFO-UHFFFAOYSA-N 0 3 292.339 1.345 20 5 CDBDHN C[C@H](NC[C@@H]1CCC(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000852096724 684366028 /nfs/dbraw/zinc/36/60/28/684366028.db2.gz NIXKUADEVBGALO-CABZTGNLSA-N 0 3 264.281 1.951 20 5 CDBDHN C[C@@H](O)CCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279842 684370551 /nfs/dbraw/zinc/37/05/51/684370551.db2.gz YIGKCOGPZFAXKK-MFKMUULPSA-N 0 3 268.313 1.331 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(OC)CC1 ZINC000924951101 684448813 /nfs/dbraw/zinc/44/88/13/684448813.db2.gz BPOWFUWZFCLGKN-UHFFFAOYSA-N 0 3 295.339 1.719 20 5 CDBDHN Cc1nc2c(cccc2C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813104917 684474758 /nfs/dbraw/zinc/47/47/58/684474758.db2.gz SVSMKXNMDBWNEM-SSDOTTSWSA-N 0 3 264.237 1.958 20 5 CDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000796201209 684788298 /nfs/dbraw/zinc/78/82/98/684788298.db2.gz GCZPHOHFAJUSPM-KGLIPLIRSA-N 0 3 280.324 1.739 20 5 CDBDHN O=C1CCCN1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846081720 684805721 /nfs/dbraw/zinc/80/57/21/684805721.db2.gz MATLAJOBCFQPQK-UHFFFAOYSA-N 0 3 297.742 1.960 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000778256247 684839456 /nfs/dbraw/zinc/83/94/56/684839456.db2.gz ZJNLRZHIHIOUQT-SWHYSGLUSA-N 0 3 280.324 1.331 20 5 CDBDHN O=[N+]([O-])CCN[C@H]1c2ccccc2CC12CCOCC2 ZINC000930518523 684886803 /nfs/dbraw/zinc/88/68/03/684886803.db2.gz ACFVSQVLNOYIAO-AWEZNQCLSA-N 0 3 276.336 1.947 20 5 CDBDHN CC(COC(=O)c1ccc(-c2cnn(C)c2)o1)[N+](=O)[O-] ZINC000835453331 685029098 /nfs/dbraw/zinc/02/90/98/685029098.db2.gz AMYXQCJPQABGFX-MRVPVSSYSA-N 0 3 279.252 1.502 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1-c1cccnc1)[N+](=O)[O-] ZINC000813108189 685151760 /nfs/dbraw/zinc/15/17/60/685151760.db2.gz CDAHRVPEBOAHAB-SECBINFHSA-N 0 3 290.279 1.304 20 5 CDBDHN CC(COC(=O)c1n[nH]c2c1CCCCC2)[N+](=O)[O-] ZINC000813105646 685186200 /nfs/dbraw/zinc/18/62/00/685186200.db2.gz RBKPGUAFEZPYHD-MRVPVSSYSA-N 0 3 267.285 1.501 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]2CCO)c1 ZINC000778267221 685795649 /nfs/dbraw/zinc/79/56/49/685795649.db2.gz CECLBYOSBOVYNC-JSGCOSHPSA-N 0 3 280.324 1.475 20 5 CDBDHN CC(C)C(=O)Nc1cc(C(=O)OCC(C)[N+](=O)[O-])ccn1 ZINC000816091498 685830124 /nfs/dbraw/zinc/83/01/24/685830124.db2.gz ZFZXXVJNOAVCOC-VIFPVBQESA-N 0 3 295.295 1.498 20 5 CDBDHN Cc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000819297276 685877391 /nfs/dbraw/zinc/87/73/91/685877391.db2.gz NQNGYCPZMOVAER-AWEZNQCLSA-N 0 3 290.323 1.460 20 5 CDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000842363246 686379879 /nfs/dbraw/zinc/37/98/79/686379879.db2.gz CZERYVFBKWKXNF-KPXOXKRLSA-N 0 3 294.263 1.907 20 5 CDBDHN COC[C@@H](CCO)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873058519 686529450 /nfs/dbraw/zinc/52/94/50/686529450.db2.gz PVHVKCQHPAXYGA-GFCCVEGCSA-N 0 3 282.340 1.699 20 5 CDBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000044215381 687036420 /nfs/dbraw/zinc/03/64/20/687036420.db2.gz DOEKWUUYEZSKJW-UHFFFAOYSA-N 0 3 279.296 1.544 20 5 CDBDHN CN1CC[C@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000922574304 687530718 /nfs/dbraw/zinc/53/07/18/687530718.db2.gz LBUFCDORQZLKSC-NSHDSACASA-N 0 3 293.323 1.160 20 5 CDBDHN CC(COC(=O)c1ccn(-c2ccccc2F)n1)[N+](=O)[O-] ZINC000813111372 687554820 /nfs/dbraw/zinc/55/48/20/687554820.db2.gz SFLMSWCCTWAOEF-SECBINFHSA-N 0 3 293.254 1.833 20 5 CDBDHN COC(=O)N(C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850548631 687556917 /nfs/dbraw/zinc/55/69/17/687556917.db2.gz WRHRQQZKWBLFLU-VIFPVBQESA-N 0 3 296.327 1.526 20 5 CDBDHN CC(COC(=O)c1cccc2c1OC(F)(F)O2)[N+](=O)[O-] ZINC000851036801 687875917 /nfs/dbraw/zinc/87/59/17/687875917.db2.gz NHSAROZJZZTGIS-LURJTMIESA-N 0 3 289.190 1.830 20 5 CDBDHN CC(COC(=O)c1ccc(-n2cnnc2)cc1)[N+](=O)[O-] ZINC000813111473 687955224 /nfs/dbraw/zinc/95/52/24/687955224.db2.gz IBSPBUFYMCNXHF-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)[N+](=O)[O-] ZINC000813111638 687962946 /nfs/dbraw/zinc/96/29/46/687962946.db2.gz JMQSKKXABBQAFZ-QMMMGPOBSA-N 0 3 292.291 1.738 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1COC(=O)C1 ZINC001173234315 912325994 /nfs/dbraw/zinc/32/59/94/912325994.db2.gz OEKWWJAELCPSEC-GXSJLCMTSA-N 0 3 264.281 1.431 20 5 CDBDHN Cc1cc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)nn1C ZINC001168973880 927596077 /nfs/dbraw/zinc/59/60/77/927596077.db2.gz PGRYLQSZYIMRTG-QWRGUYRKSA-N 0 3 252.318 1.264 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2cc3ccccn3n2)C1 ZINC001169001654 927605113 /nfs/dbraw/zinc/60/51/13/927605113.db2.gz HDZUWJXBLDDONW-VXGBXAGGSA-N 0 3 274.324 1.869 20 5 CDBDHN COc1ncc([N+](=O)[O-])cc1-n1ccc([C@H](C)N)n1 ZINC001169231552 927840439 /nfs/dbraw/zinc/84/04/39/927840439.db2.gz MLOHTXJJWOUAOK-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN C[C@@H](Nc1cc(Cl)ncc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159498902 930309710 /nfs/dbraw/zinc/30/97/10/930309710.db2.gz RYVVDTJMOJRQIS-GMSGAONNSA-N 0 3 286.719 1.432 20 5 CDBDHN CC(F)(F)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122517397 937938904 /nfs/dbraw/zinc/93/89/04/937938904.db2.gz ZQIWYWHRSSKCEO-UHFFFAOYSA-N 0 3 287.266 1.456 20 5 CDBDHN Cc1cc(CN)nn1-c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001156039220 938312920 /nfs/dbraw/zinc/31/29/20/938312920.db2.gz PPGPFNSBWJGYNT-UHFFFAOYSA-N 0 3 281.703 1.904 20 5 CDBDHN O=[N+]([O-])c1cnc(Cl)cc1N1CCNC2(CC2)C1 ZINC001158933950 938680197 /nfs/dbraw/zinc/68/01/97/938680197.db2.gz WQHDPEZBELFYKX-UHFFFAOYSA-N 0 3 268.704 1.585 20 5 CDBDHN C[C@H](Nc1cc([N+](=O)[O-])cc(Cl)n1)[C@@H]1CNCCO1 ZINC001159488186 938731804 /nfs/dbraw/zinc/73/18/04/938731804.db2.gz AOVZQPHMWZLEGI-CBAPKCEASA-N 0 3 286.719 1.432 20 5 CDBDHN NCc1cn(-c2ncnc3sc([N+](=O)[O-])cc32)cn1 ZINC001162298731 938974347 /nfs/dbraw/zinc/97/43/47/938974347.db2.gz OFYKOBXJUCSSHM-UHFFFAOYSA-N 0 3 276.281 1.244 20 5 CDBDHN CN(C)C1(C)CN(c2cnc3cc([N+](=O)[O-])ccc3n2)C1 ZINC001165116490 939511723 /nfs/dbraw/zinc/51/17/23/939511723.db2.gz DNLDTOSEGVNFNG-UHFFFAOYSA-N 0 3 287.323 1.678 20 5 CDBDHN COC(=O)c1cccc(CO[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001223665552 941690650 /nfs/dbraw/zinc/69/06/50/941690650.db2.gz UNEXYZSNSZZBPX-LLVKDONJSA-N 0 3 294.307 1.602 20 5 CDBDHN CCN1CC[C@@H](Oc2c(C)ccnc2[N+](=O)[O-])C1 ZINC001233556072 943616041 /nfs/dbraw/zinc/61/60/41/943616041.db2.gz JRMBUCYAKOZWLI-SNVBAGLBSA-N 0 3 251.286 1.771 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](CO)[C@H](O)C1 ZINC001254552258 947520264 /nfs/dbraw/zinc/52/02/64/947520264.db2.gz JNDDNKONRFOAED-UXIGCNINSA-N 0 3 294.351 1.201 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](F)[C@@H](N)C1 ZINC001246529748 948231832 /nfs/dbraw/zinc/23/18/32/948231832.db2.gz LPNSBQBPLKRJEF-WCQGTBRESA-N 0 3 267.304 1.507 20 5 CDBDHN CO[C@@]1(C)C[C@H]1NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001346376132 965071634 /nfs/dbraw/zinc/07/16/34/965071634.db2.gz IESFLWYGFBTQNS-UPJWGTAASA-N 0 3 266.297 1.395 20 5 CDBDHN Cc1cc(C)n2ncc(C(=O)OCC(C)[N+](=O)[O-])c2n1 ZINC001348208118 965876112 /nfs/dbraw/zinc/87/61/12/965876112.db2.gz KUEZDEXNPYNDAJ-SECBINFHSA-N 0 3 278.268 1.168 20 5 CDBDHN C[C@@H]1[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCCN1C ZINC000342834860 361751191 /nfs/dbraw/zinc/75/11/91/361751191.db2.gz LARPUCXNTJGFJV-MWLCHTKSSA-N 0 3 292.339 1.588 20 5 CDBDHN CC[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000125220973 187175319 /nfs/dbraw/zinc/17/53/19/187175319.db2.gz GDDVBODVROVTTH-JTQLQIEISA-N 0 3 277.324 1.926 20 5 CDBDHN COc1cccc(C(=O)N2CCNCC2(C)C)c1[N+](=O)[O-] ZINC000591678194 342641595 /nfs/dbraw/zinc/64/15/95/342641595.db2.gz MHTUUWDEHFLPGU-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN Cc1c(CC(=O)NC[C@@H]2C[C@H](F)CN2)cccc1[N+](=O)[O-] ZINC000591685941 342643317 /nfs/dbraw/zinc/64/33/17/342643317.db2.gz CIZSQNHYSXCSSY-RYUDHWBXSA-N 0 3 295.314 1.262 20 5 CDBDHN NC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000592532629 342704946 /nfs/dbraw/zinc/70/49/46/342704946.db2.gz OCCVYOYONKRRKF-UHFFFAOYSA-N 0 3 293.323 1.361 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCCC[C@@H]1CO ZINC000157002081 342176054 /nfs/dbraw/zinc/17/60/54/342176054.db2.gz XLSFLGBHCQXKBM-GFCCVEGCSA-N 0 3 282.344 1.337 20 5 CDBDHN C[C@H](NC[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712232 342243935 /nfs/dbraw/zinc/24/39/35/342243935.db2.gz VCUKMKAEWPNIKE-JQWIXIFHSA-N 0 3 265.313 1.234 20 5 CDBDHN Cn1nnc2c1CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)C2 ZINC000594513731 342912906 /nfs/dbraw/zinc/91/29/06/342912906.db2.gz GVTZNYQPZOLTQF-LLVKDONJSA-N 0 3 287.323 1.370 20 5 CDBDHN Cn1nnc2c1CC[C@@H](NCc1cccc([N+](=O)[O-])c1)C2 ZINC000594517100 342917120 /nfs/dbraw/zinc/91/71/20/342917120.db2.gz VCYKTNHXNUQCHS-LLVKDONJSA-N 0 3 287.323 1.370 20 5 CDBDHN CC[C@@H](NC)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595953228 343195342 /nfs/dbraw/zinc/19/53/42/343195342.db2.gz YCYZXQBLVMSXFK-SECBINFHSA-N 0 3 267.285 1.540 20 5 CDBDHN O=c1[n-]ccc(NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000596074579 343226024 /nfs/dbraw/zinc/22/60/24/343226024.db2.gz VTRUZRPDFIBGGG-UHFFFAOYSA-N 0 3 280.328 1.983 20 5 CDBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596062374 343223767 /nfs/dbraw/zinc/22/37/67/343223767.db2.gz NCYMGQJUOLRRSO-UHFFFAOYSA-N 0 3 292.339 1.590 20 5 CDBDHN CCN1C[C@@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1C ZINC000596176928 343261307 /nfs/dbraw/zinc/26/13/07/343261307.db2.gz LBFUPMXVDNGUFR-NXEZZACHSA-N 0 3 279.344 1.491 20 5 CDBDHN C[NH+](C)C1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596279074 343296800 /nfs/dbraw/zinc/29/68/00/343296800.db2.gz VOFCXMNPDCPHRX-UHFFFAOYSA-N 0 3 280.328 1.980 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000598569864 343832192 /nfs/dbraw/zinc/83/21/92/343832192.db2.gz FRJFXADFGURUPN-ZDUSSCGKSA-N 0 3 295.314 1.804 20 5 CDBDHN CN1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602504734 344456762 /nfs/dbraw/zinc/45/67/62/344456762.db2.gz UASXOAZEZAVJDB-UHFFFAOYSA-N 0 3 290.323 1.920 20 5 CDBDHN CCC1(CO)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602802336 344591527 /nfs/dbraw/zinc/59/15/27/344591527.db2.gz YZLBSWSGLQDAAB-UHFFFAOYSA-N 0 3 296.371 1.584 20 5 CDBDHN CO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602826861 344612471 /nfs/dbraw/zinc/61/24/71/344612471.db2.gz OHWIZTPOCXUMAY-JQWIXIFHSA-N 0 3 282.344 1.599 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCCCC2)c(F)c1 ZINC000052131505 362472092 /nfs/dbraw/zinc/47/20/92/362472092.db2.gz AOULZWJDSMKEHK-GFCCVEGCSA-N 0 3 297.330 1.993 20 5 CDBDHN C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343516030 362491135 /nfs/dbraw/zinc/49/11/35/362491135.db2.gz KJBNLJLZELWSMG-SMDDNHRTSA-N 0 3 291.351 1.736 20 5 CDBDHN C[C@H]1C[C@H](C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726889 362510970 /nfs/dbraw/zinc/51/09/70/362510970.db2.gz HXCPCKGNOZYFQM-RYUDHWBXSA-N 0 3 279.340 1.734 20 5 CDBDHN COc1ccc(CNC[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000097441030 185604888 /nfs/dbraw/zinc/60/48/88/185604888.db2.gz VGQYIEMDNBDRKI-JTQLQIEISA-N 0 3 268.313 1.712 20 5 CDBDHN C[C@](CO)(NCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000610485061 346291071 /nfs/dbraw/zinc/29/10/71/346291071.db2.gz IYKWNQVTTSDWRB-CQSZACIVSA-N 0 3 290.323 1.289 20 5 CDBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)CN1C1CC1 ZINC000133535226 362764726 /nfs/dbraw/zinc/76/47/26/362764726.db2.gz IZCSFWGORUOIHQ-JGVFFNPUSA-N 0 3 278.316 1.004 20 5 CDBDHN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273428513 192147701 /nfs/dbraw/zinc/14/77/01/192147701.db2.gz WVHWKDWLFYHOQE-IINYFYTJSA-N 0 3 290.323 1.713 20 5 CDBDHN CC1(C)[C@H](O)C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000129355677 362930705 /nfs/dbraw/zinc/93/07/05/362930705.db2.gz RLNOORODEVRWSN-NWDGAFQWSA-N 0 3 250.298 1.844 20 5 CDBDHN O=[N+]([O-])c1cccnc1NCCCN1CCC(O)CC1 ZINC000059363434 348879596 /nfs/dbraw/zinc/87/95/96/348879596.db2.gz ZJHODEHQHRWTCU-UHFFFAOYSA-N 0 3 280.328 1.249 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000066958438 349007542 /nfs/dbraw/zinc/00/75/42/349007542.db2.gz JDMUEROWLAWYSV-UHFFFAOYSA-N 0 3 265.313 1.585 20 5 CDBDHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000105871193 186081142 /nfs/dbraw/zinc/08/11/42/186081142.db2.gz MLYGSBOGPNQUBS-ZYHUDNBSSA-N 0 3 287.323 1.852 20 5 CDBDHN COc1ccc(CNCCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000106466727 186120484 /nfs/dbraw/zinc/12/04/84/186120484.db2.gz CUBVOPUTEZYVCG-UHFFFAOYSA-N 0 3 295.339 1.608 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353470002 363032524 /nfs/dbraw/zinc/03/25/24/363032524.db2.gz HZNYCYXXEZXDTP-TVQRCGJNSA-N 0 3 295.339 1.593 20 5 CDBDHN CC[C@@H](N[C@@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000122147816 187017512 /nfs/dbraw/zinc/01/75/12/187017512.db2.gz NVUFRHTUPJAZLD-JOYOIKCWSA-N 0 3 265.313 1.899 20 5 CDBDHN CN(C)C(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000411939106 363383222 /nfs/dbraw/zinc/38/32/22/363383222.db2.gz NIZYRMVMDVYSRV-GFCCVEGCSA-N 0 3 277.324 1.505 20 5 CDBDHN CN1CC=C(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000271897251 191397179 /nfs/dbraw/zinc/39/71/79/191397179.db2.gz FYXRYOYHLRAACT-UHFFFAOYSA-N 0 3 293.298 1.726 20 5 CDBDHN Cc1c([C@@H](C)NCCc2ncn(C)n2)cccc1[N+](=O)[O-] ZINC000358410107 355924774 /nfs/dbraw/zinc/92/47/74/355924774.db2.gz XDGRRMUCQRXOET-LLVKDONJSA-N 0 3 289.339 1.925 20 5 CDBDHN COc1ccc(CNCCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000227956100 356337143 /nfs/dbraw/zinc/33/71/43/356337143.db2.gz APYIFYCWGLGAIN-SNVBAGLBSA-N 0 3 268.313 1.854 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](c3cccnc3)C2)c1 ZINC000578527991 356717386 /nfs/dbraw/zinc/71/73/86/356717386.db2.gz WYNPYBDMOSWUCP-CYBMUJFWSA-N 0 3 287.323 1.676 20 5 CDBDHN CC(C)(O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000070940269 357174271 /nfs/dbraw/zinc/17/42/71/357174271.db2.gz BOCZTHCQFUEPND-UHFFFAOYSA-N 0 3 279.340 1.488 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@@H](O)CN1CCCCC1 ZINC000048559780 357190103 /nfs/dbraw/zinc/19/01/03/357190103.db2.gz XDCKBUKSBJMBMB-LLVKDONJSA-N 0 3 280.328 1.249 20 5 CDBDHN Cc1c(CNC(=O)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000360526432 357358646 /nfs/dbraw/zinc/35/86/46/357358646.db2.gz UDPGDAHGZCOEES-UHFFFAOYSA-N 0 3 291.351 1.861 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000193700276 358317528 /nfs/dbraw/zinc/31/75/28/358317528.db2.gz JWEWPGKSIVWPNH-JDRNFJBZSA-N 0 3 289.335 1.722 20 5 CDBDHN Cc1cc(C(=O)NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000538650398 358887020 /nfs/dbraw/zinc/88/70/20/358887020.db2.gz VLDVDYMOCAIXME-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559796 363639700 /nfs/dbraw/zinc/63/97/00/363639700.db2.gz BIZCKMONUAWHGO-GXSJLCMTSA-N 0 3 265.317 1.161 20 5 CDBDHN CCN(C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000112926393 359365861 /nfs/dbraw/zinc/36/58/61/359365861.db2.gz DROBYLVZZLASST-UHFFFAOYSA-N 0 3 299.302 1.181 20 5 CDBDHN COC[C@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000069912585 359715068 /nfs/dbraw/zinc/71/50/68/359715068.db2.gz MGARAPVLKHHARL-GFCCVEGCSA-N 0 3 254.286 1.082 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176667616 189003923 /nfs/dbraw/zinc/00/39/23/189003923.db2.gz UTEVOHVTRIFOME-SECBINFHSA-N 0 3 278.312 1.001 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000176371633 360253746 /nfs/dbraw/zinc/25/37/46/360253746.db2.gz YDYMVBKXZSTFOY-UHFFFAOYSA-N 0 3 296.283 1.137 20 5 CDBDHN CCCCN(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178563657 189127189 /nfs/dbraw/zinc/12/71/89/189127189.db2.gz QJYBEVKLRPNDJO-AWEZNQCLSA-N 0 3 282.340 1.723 20 5 CDBDHN CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181555232 189300584 /nfs/dbraw/zinc/30/05/84/189300584.db2.gz SQSYSERCYFNUMF-NSHDSACASA-N 0 3 266.297 1.429 20 5 CDBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000181635795 189303178 /nfs/dbraw/zinc/30/31/78/189303178.db2.gz NXHQDVILODIFSZ-JTQLQIEISA-N 0 3 261.285 1.537 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)N(C)C ZINC000455175781 252384382 /nfs/dbraw/zinc/38/43/82/252384382.db2.gz XCDRBTQFWQKZBN-VIFPVBQESA-N 0 3 296.327 1.675 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351813696 365002468 /nfs/dbraw/zinc/00/24/68/365002468.db2.gz HYOOUMFKVZYADL-GXFFZTMASA-N 0 3 266.297 1.286 20 5 CDBDHN CC(C)(C(=O)N1CCCNCC1)c1ccc([N+](=O)[O-])cc1 ZINC000269113447 367134863 /nfs/dbraw/zinc/13/48/63/367134863.db2.gz GCBSJPQWLDGZED-UHFFFAOYSA-N 0 3 291.351 1.694 20 5 CDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000272185473 367293404 /nfs/dbraw/zinc/29/34/04/367293404.db2.gz MKNOXTBFJMRUTA-SNVBAGLBSA-N 0 3 294.355 1.725 20 5 CDBDHN Cc1nc(N2CC[C@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272258586 367571303 /nfs/dbraw/zinc/57/13/03/367571303.db2.gz ZPZYGOKGKHWGQD-YPMHNXCESA-N 0 3 276.340 1.829 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCOC[C@@H](C3CCC3)C2)c1 ZINC000367833842 370965105 /nfs/dbraw/zinc/96/51/05/370965105.db2.gz SSZJUHBXIYOJKV-ZDUSSCGKSA-N 0 3 294.355 1.540 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000331159498 203584825 /nfs/dbraw/zinc/58/48/25/203584825.db2.gz DWUDZMRHTKOEOW-STQMWFEESA-N 0 3 291.351 1.908 20 5 CDBDHN CN(CCn1nccc1[N+](=O)[O-])Cc1ccccc1 ZINC000295665983 370558192 /nfs/dbraw/zinc/55/81/92/370558192.db2.gz FNUSZMBMWBMBFQ-UHFFFAOYSA-N 0 3 260.297 1.923 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC(C3CC3)CC2)c1 ZINC000368332676 373304137 /nfs/dbraw/zinc/30/41/37/373304137.db2.gz QYXHDNHBSMNHKO-UHFFFAOYSA-N 0 3 264.329 1.913 20 5 CDBDHN COc1cc(NCCN(C)C)c(F)cc1[N+](=O)[O-] ZINC000090998281 373690414 /nfs/dbraw/zinc/69/04/14/373690414.db2.gz YCVDBIYIZZXZTE-UHFFFAOYSA-N 0 3 257.265 1.716 20 5 CDBDHN C[C@@H](N[C@H]1C[C@@H](O)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296086405 373752638 /nfs/dbraw/zinc/75/26/38/373752638.db2.gz XSHBRFZDXDXNHF-QNSHHTMESA-N 0 3 251.286 1.351 20 5 CDBDHN CCc1nn(C)c(NC[C@@H]2CCCN2CC)c1[N+](=O)[O-] ZINC000091559426 374041793 /nfs/dbraw/zinc/04/17/93/374041793.db2.gz LKGZXWVRJDFHLT-JTQLQIEISA-N 0 3 281.360 1.787 20 5 CDBDHN COCC[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547395742 374160081 /nfs/dbraw/zinc/16/00/81/374160081.db2.gz NIXQQDCYEHOXLO-RYUDHWBXSA-N 0 3 282.340 1.951 20 5 CDBDHN N[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000423834756 246129050 /nfs/dbraw/zinc/12/90/50/246129050.db2.gz CSHRGOIWXRKJPT-GFCCVEGCSA-N 0 3 297.742 1.992 20 5 CDBDHN CCC[C@]1(CO)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000377544456 374608435 /nfs/dbraw/zinc/60/84/35/374608435.db2.gz PWWRFFRPLFEUCP-ZDUSSCGKSA-N 0 3 282.344 1.276 20 5 CDBDHN CNC(=O)[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093360719 374747742 /nfs/dbraw/zinc/74/77/42/374747742.db2.gz QCKLXMDBOCGEBZ-CYBMUJFWSA-N 0 3 291.351 1.861 20 5 CDBDHN C[C@@H]1CN(CCCNc2ncc([N+](=O)[O-])cn2)CCCO1 ZINC000277670928 374802222 /nfs/dbraw/zinc/80/22/22/374802222.db2.gz PSKFJXFEVNBTCY-LLVKDONJSA-N 0 3 295.343 1.298 20 5 CDBDHN CC(C)COC[C@H](O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000037894560 374957599 /nfs/dbraw/zinc/95/75/99/374957599.db2.gz UUFOVJXQAHZIQR-CQSZACIVSA-N 0 3 282.340 1.718 20 5 CDBDHN CN1CC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000096268642 375070043 /nfs/dbraw/zinc/07/00/43/375070043.db2.gz UMEDVIIDEVOMFM-HNNXBMFYSA-N 0 3 289.335 1.763 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCc3n[nH]nc3C2)cc1 ZINC000351645612 375315382 /nfs/dbraw/zinc/31/53/82/375315382.db2.gz OEJSBOBPFGWROE-UHFFFAOYSA-N 0 3 273.296 1.314 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000351830400 375333489 /nfs/dbraw/zinc/33/34/89/375333489.db2.gz RMGMPPDHYZTGCR-LLVKDONJSA-N 0 3 294.355 1.387 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H](C)CC(N)=O ZINC000345043087 375730601 /nfs/dbraw/zinc/73/06/01/375730601.db2.gz DSVWZGWNBMXPHA-YAEJEKNGSA-N 0 3 277.324 1.852 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@H]2Cc3cccc(O)c3C2)n1 ZINC000429258260 247446461 /nfs/dbraw/zinc/44/64/61/247446461.db2.gz GZAQAFHSTVAAMK-NSHDSACASA-N 0 3 288.307 1.254 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000296605950 376579137 /nfs/dbraw/zinc/57/91/37/376579137.db2.gz YTEJOTIQCXXNOG-SECBINFHSA-N 0 3 263.297 1.352 20 5 CDBDHN COC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278694746 194107602 /nfs/dbraw/zinc/10/76/02/194107602.db2.gz QFOCGSPTFXVDBS-KBPBESRZSA-N 0 3 280.324 1.878 20 5 CDBDHN COc1ccc(OCCN(C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000266534322 190264959 /nfs/dbraw/zinc/26/49/59/190264959.db2.gz NETOWQZGWYECKI-NSHDSACASA-N 0 3 296.323 1.703 20 5 CDBDHN CCN(CCCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266545242 190265865 /nfs/dbraw/zinc/26/58/65/190265865.db2.gz JIQMXZBNKSDMIB-UHFFFAOYSA-N 0 3 298.339 1.687 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN(CCO)Cc2ccccc2)c1 ZINC000266898429 190288561 /nfs/dbraw/zinc/28/85/61/190288561.db2.gz HJPKDAIYZGYBMV-UHFFFAOYSA-N 0 3 290.323 1.286 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246521525 379596325 /nfs/dbraw/zinc/59/63/25/379596325.db2.gz FTTAZMBHGYOOTK-AAEUAGOBSA-N 0 3 280.328 1.292 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199323 190385514 /nfs/dbraw/zinc/38/55/14/190385514.db2.gz OJIVUHPFYIYKLB-HZMBPMFUSA-N 0 3 289.335 1.807 20 5 CDBDHN CC(C)[C@](C)(NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000289300461 197289276 /nfs/dbraw/zinc/28/92/76/197289276.db2.gz IETUJFJFETUHGU-AWEZNQCLSA-N 0 3 295.339 1.463 20 5 CDBDHN CCN1CCN(CCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286022784 390189768 /nfs/dbraw/zinc/18/97/68/390189768.db2.gz FYLNOJSMWAKTKL-UHFFFAOYSA-N 0 3 296.346 1.783 20 5 CDBDHN CO[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000281819792 195395987 /nfs/dbraw/zinc/39/59/87/195395987.db2.gz WUPZKWAOPDTHKE-ZYHUDNBSSA-N 0 3 268.317 1.291 20 5 CDBDHN Cc1nc(N(C)[C@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450959216 390581812 /nfs/dbraw/zinc/58/18/12/390581812.db2.gz XVZXISVOUFHXPP-NSHDSACASA-N 0 3 279.344 1.612 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN(C)CCCOC ZINC000360998220 390618708 /nfs/dbraw/zinc/61/87/08/390618708.db2.gz ZBAODYSUBBEIQF-UHFFFAOYSA-N 0 3 299.375 1.500 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366401683 391157315 /nfs/dbraw/zinc/15/73/15/391157315.db2.gz LXGMKGUJPDINAH-XEZLXBQYSA-N 0 3 262.309 1.826 20 5 CDBDHN CCc1ccc(OC[C@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000290797847 391432091 /nfs/dbraw/zinc/43/20/91/391432091.db2.gz PESHLIFUGKPVLA-CYBMUJFWSA-N 0 3 294.351 1.991 20 5 CDBDHN CC[C@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000419218009 392887437 /nfs/dbraw/zinc/88/74/37/392887437.db2.gz FKLVAWKFUWXVBY-WCQYABFASA-N 0 3 294.355 1.901 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)NC1CC1 ZINC000449101759 393129932 /nfs/dbraw/zinc/12/99/32/393129932.db2.gz VMYZAZUQSWDPKJ-VIFPVBQESA-N 0 3 293.323 1.360 20 5 CDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CNCCC1(F)F ZINC000449656836 393136934 /nfs/dbraw/zinc/13/69/34/393136934.db2.gz MOBXELMZWAWAJV-NSHDSACASA-N 0 3 299.277 1.251 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(C(N)=O)C1 ZINC000280805065 393151759 /nfs/dbraw/zinc/15/17/59/393151759.db2.gz SMGMEHRUQAKZJX-HZMBPMFUSA-N 0 3 277.324 1.853 20 5 CDBDHN COCCNCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000215510912 140161703 /nfs/dbraw/zinc/16/17/03/140161703.db2.gz BVMVMXVMXAJPJO-UHFFFAOYSA-N 0 3 253.302 1.551 20 5 CDBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245889181 140279078 /nfs/dbraw/zinc/27/90/78/140279078.db2.gz JJLMCEOMDHUEBG-WDEREUQCSA-N 0 3 252.318 1.769 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252667292 140321767 /nfs/dbraw/zinc/32/17/67/140321767.db2.gz IFQSMYHTDFJCBU-GJZGRUSLSA-N 0 3 291.351 1.548 20 5 CDBDHN O=[N+]([O-])c1cc(CNCC2(CO)CCC2)cs1 ZINC000184376216 148346552 /nfs/dbraw/zinc/34/65/52/148346552.db2.gz PQLPTTOIXLDJIC-UHFFFAOYSA-N 0 3 256.327 1.909 20 5 CDBDHN C[C@H]1NCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262763068 149112157 /nfs/dbraw/zinc/11/21/57/149112157.db2.gz IULFBGWWZARNJO-GHMZBOCLSA-N 0 3 292.339 1.216 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000334041757 149305613 /nfs/dbraw/zinc/30/56/13/149305613.db2.gz BQUJAPHEJRRLOR-ONGXEEELSA-N 0 3 292.339 1.511 20 5 CDBDHN C[C@@H](CN(C)C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343785430 152301896 /nfs/dbraw/zinc/30/18/96/152301896.db2.gz ATSHJIIXWDYINB-QMMMGPOBSA-N 0 3 266.301 1.056 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000346177846 153085916 /nfs/dbraw/zinc/08/59/16/153085916.db2.gz GMDCYJPLVZEGSB-SSDOTTSWSA-N 0 3 257.315 1.336 20 5 CDBDHN C[C@@H](C(=O)N[C@@H](C)CN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000346223600 153102867 /nfs/dbraw/zinc/10/28/67/153102867.db2.gz MPFQMDKDBWOJIG-VHSXEESVSA-N 0 3 297.330 1.904 20 5 CDBDHN Cc1[nH]cnc1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000346229596 153106027 /nfs/dbraw/zinc/10/60/27/153106027.db2.gz RRBBGEOHUJRMHO-UHFFFAOYSA-N 0 3 274.280 1.485 20 5 CDBDHN C[C@@H]1COCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000374338008 160274819 /nfs/dbraw/zinc/27/48/19/160274819.db2.gz BFSVPDWVGDUEKV-LBPRGKRZSA-N 0 3 280.324 1.942 20 5 CDBDHN C[C@@H](N[C@@H](C)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000036932634 287048963 /nfs/dbraw/zinc/04/89/63/287048963.db2.gz MGZMLKUGHUUQJC-QWHCGFSZSA-N 0 3 293.367 1.966 20 5 CDBDHN O=C(CN1CCNCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037395749 173176031 /nfs/dbraw/zinc/17/60/31/173176031.db2.gz UEAPQADSZLRJEB-UHFFFAOYSA-N 0 3 298.730 1.092 20 5 CDBDHN CO[C@H]1COC[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000289817133 274081408 /nfs/dbraw/zinc/08/14/08/274081408.db2.gz NLFVWDGMZIDPTJ-JRCXTIHVSA-N 0 3 278.308 1.611 20 5 CDBDHN Cc1nc(N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000268432076 274842543 /nfs/dbraw/zinc/84/25/43/274842543.db2.gz BKNFWYMQLNCDLQ-LBPRGKRZSA-N 0 3 274.324 1.749 20 5 CDBDHN CN1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413032062 277031903 /nfs/dbraw/zinc/03/19/03/277031903.db2.gz JXWOCWXRPDWRIU-UHFFFAOYSA-N 0 3 254.265 1.635 20 5 CDBDHN C[C@H](NCCN1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000296692626 279469886 /nfs/dbraw/zinc/46/98/86/279469886.db2.gz JXWSXGYICXDUHA-JTQLQIEISA-N 0 3 278.312 1.271 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCC1(CO)CC1 ZINC000395931187 280694873 /nfs/dbraw/zinc/69/48/73/280694873.db2.gz JFPDQLCGGSAFDT-UHFFFAOYSA-N 0 3 250.298 1.847 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000561768802 293102689 /nfs/dbraw/zinc/10/26/89/293102689.db2.gz VSXVSFGJIGDFMU-QWRGUYRKSA-N 0 3 279.340 1.765 20 5 CDBDHN N[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000564823628 293423196 /nfs/dbraw/zinc/42/31/96/293423196.db2.gz MIEODYFNMPEUTN-CYBMUJFWSA-N 0 3 293.323 1.217 20 5 CDBDHN CN1CC[C@@H](c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)C1 ZINC000349912122 316140821 /nfs/dbraw/zinc/14/08/21/316140821.db2.gz JKBVGYMWEMOELW-SECBINFHSA-N 0 3 289.295 1.646 20 5 CDBDHN CC(C)NC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000047889341 519703654 /nfs/dbraw/zinc/70/36/54/519703654.db2.gz UPZHOKKPAMEQIV-UHFFFAOYSA-N 0 3 265.313 1.599 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NCCN(C)C1CC1 ZINC000426909848 536885501 /nfs/dbraw/zinc/88/55/01/536885501.db2.gz SCIUJNPKPYBGJA-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CC(C)[C@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000733166447 575102722 /nfs/dbraw/zinc/10/27/22/575102722.db2.gz PVMHEGMBEKAHRU-AWEZNQCLSA-N 0 3 293.367 1.840 20 5 CDBDHN COc1cc(CN[C@@H](CCO)C2CC2)c([N+](=O)[O-])cc1F ZINC000771805687 575614617 /nfs/dbraw/zinc/61/46/17/575614617.db2.gz SPMDPHDTZVDPDO-LBPRGKRZSA-N 0 3 298.314 1.993 20 5 CDBDHN Cc1c(COC(=O)C2CCN(C)C2=O)cccc1[N+](=O)[O-] ZINC000772538253 575720231 /nfs/dbraw/zinc/72/02/31/575720231.db2.gz YJRXIJVGMGZOGL-LLVKDONJSA-N 0 3 292.291 1.425 20 5 CDBDHN C[C@@]1(CO)CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893727 576441354 /nfs/dbraw/zinc/44/13/54/576441354.db2.gz OJRTVPRXSYXAJI-KGLIPLIRSA-N 0 3 280.324 1.475 20 5 CDBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761078302 576543788 /nfs/dbraw/zinc/54/37/88/576543788.db2.gz BKFXMJMYPJLLCC-LBPRGKRZSA-N 0 3 263.341 1.773 20 5 CDBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000893329415 617583351 /nfs/dbraw/zinc/58/33/51/617583351.db2.gz QOZHIBZJJCFLTN-JQWIXIFHSA-N 0 3 298.364 1.508 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CN2CCC1CC2 ZINC000892792915 617754279 /nfs/dbraw/zinc/75/42/79/617754279.db2.gz LLUXKWBOBAUKOQ-CQSZACIVSA-N 0 3 292.339 1.147 20 5 CDBDHN CC(COC(=O)[C@@]1(C)OCCc2ccccc21)[N+](=O)[O-] ZINC000893046625 618097799 /nfs/dbraw/zinc/09/77/99/618097799.db2.gz DKLWTKRRORZZCC-YGRLFVJLSA-N 0 3 279.292 1.683 20 5 CDBDHN CC(COC(=O)C[C@@H]1CCC2(CCC2)O1)[N+](=O)[O-] ZINC000893046923 618098861 /nfs/dbraw/zinc/09/88/61/618098861.db2.gz HSLVNIMWHIAQEH-ZJUUUORDSA-N 0 3 257.286 1.687 20 5 CDBDHN O=c1[n-]ccc(N2CC[NH2+]C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000895253006 619496339 /nfs/dbraw/zinc/49/63/39/619496339.db2.gz KFGBNSIJFTYNAP-UHFFFAOYSA-N 0 3 292.339 1.808 20 5 CDBDHN CC(C)(C)N1CC[C@@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000845733447 693989058 /nfs/dbraw/zinc/98/90/58/693989058.db2.gz BCVHKLMTFQLGLM-SNVBAGLBSA-N 0 3 296.327 1.207 20 5 CDBDHN COC[C@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591988 688456958 /nfs/dbraw/zinc/45/69/58/688456958.db2.gz NRUGVEDOIDUWBH-KGLIPLIRSA-N 0 3 280.324 1.739 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)CC(F)F)c1 ZINC000843112523 688749628 /nfs/dbraw/zinc/74/96/28/688749628.db2.gz YVGXNIAXHPAAKF-MWLCHTKSSA-N 0 3 290.266 1.234 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1C1CCC1)[N+](=O)[O-] ZINC000842363224 694302712 /nfs/dbraw/zinc/30/27/12/694302712.db2.gz CFOIFXARFKULTC-MRVPVSSYSA-N 0 3 267.285 1.510 20 5 CDBDHN CC(COC(=O)[C@H](C)OCCc1ccccc1)[N+](=O)[O-] ZINC000835454506 692143191 /nfs/dbraw/zinc/14/31/91/692143191.db2.gz KCSZYJJOAQYHJB-RYUDHWBXSA-N 0 3 281.308 1.843 20 5 CDBDHN Cc1c(CNCCNC(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000133465620 692546681 /nfs/dbraw/zinc/54/66/81/692546681.db2.gz OLGYMZLRFYWOBJ-UHFFFAOYSA-N 0 3 277.324 1.519 20 5 CDBDHN COc1ccc(/C=C/C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813115603 693060522 /nfs/dbraw/zinc/06/05/22/693060522.db2.gz WDDUQEXDFZUNIE-BREXMAIKSA-N 0 3 295.291 1.925 20 5 CDBDHN CC(COC(=O)c1cc2n(n1)CCCC2)[N+](=O)[O-] ZINC000835455924 694580411 /nfs/dbraw/zinc/58/04/11/694580411.db2.gz QHWOGRBTFRHNHO-MRVPVSSYSA-N 0 3 253.258 1.041 20 5 CDBDHN CC(COC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F)[N+](=O)[O-] ZINC000845576633 693205004 /nfs/dbraw/zinc/20/50/04/693205004.db2.gz OIVZWGIMRLBQPW-HLTSFMKQSA-N 0 3 299.245 1.942 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC/C=C\CO ZINC000873135604 693309805 /nfs/dbraw/zinc/30/98/05/693309805.db2.gz KRBQYNVLMBMHPP-ARJAWSKDSA-N 0 3 250.298 1.850 20 5 CDBDHN COCc1csc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000851036434 694653852 /nfs/dbraw/zinc/65/38/52/694653852.db2.gz JKZCMGDNGMSCDK-SSDOTTSWSA-N 0 3 259.283 1.717 20 5 CDBDHN CC(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000857067938 693400226 /nfs/dbraw/zinc/40/02/26/693400226.db2.gz JBPFMDXCPQKNHU-LLVKDONJSA-N 0 3 297.742 1.959 20 5 CDBDHN Cc1c(CN[C@@]2(CCO)CCOC2)cccc1[N+](=O)[O-] ZINC000873115234 694705604 /nfs/dbraw/zinc/70/56/04/694705604.db2.gz KCNWEEHSGISITJ-AWEZNQCLSA-N 0 3 280.324 1.534 20 5 CDBDHN C[C@H](O)[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559234 694810923 /nfs/dbraw/zinc/81/09/23/694810923.db2.gz HJLYJFKJMJDNEM-ZLKJLUDKSA-N 0 3 280.324 1.473 20 5 CDBDHN CCO[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932969921 694637238 /nfs/dbraw/zinc/63/72/38/694637238.db2.gz RKJZLGIUJVEUFM-KBPBESRZSA-N 0 3 280.324 1.739 20 5 CDBDHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@H]1CNCCO1 ZINC000130607349 694675326 /nfs/dbraw/zinc/67/53/26/694675326.db2.gz BJBTUOLUFGPYQD-SNVBAGLBSA-N 0 3 288.307 1.543 20 5 CDBDHN CC(C)C[C@H]1CN(C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000933249362 694842409 /nfs/dbraw/zinc/84/24/09/694842409.db2.gz GFMWFFSOIYZWGV-ZDUSSCGKSA-N 0 3 295.387 1.453 20 5 CDBDHN COc1cc(NCC2CN(C)C2)cc([N+](=O)[O-])c1C ZINC001170256095 1162318590 /nfs/dbraw/zinc/31/85/90/1162318590.db2.gz CUNQQLJHXCCFKS-UHFFFAOYSA-N 0 3 265.313 1.885 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC001158349898 1162903046 /nfs/dbraw/zinc/90/30/46/1162903046.db2.gz VQEPTVMIVDGFJM-ZCFIWIBFSA-N 0 3 278.228 1.103 20 5 CDBDHN CCOc1cnc(N[C@@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170564265 1162928061 /nfs/dbraw/zinc/92/80/61/1162928061.db2.gz OTQWSQWJIJHLSP-JOYOIKCWSA-N 0 3 296.327 1.177 20 5 CDBDHN C[C@H](Nc1c(Cl)nccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170565133 1162930199 /nfs/dbraw/zinc/93/01/99/1162930199.db2.gz UGOBGXZHTDPKIL-CBAPKCEASA-N 0 3 286.719 1.432 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H]1CNCCO1 ZINC001170567126 1162941545 /nfs/dbraw/zinc/94/15/45/1162941545.db2.gz JFOGXYWSHFXPQM-PWSUYJOCSA-N 0 3 265.313 1.692 20 5 CDBDHN C[C@@H](Nc1ccc(N(C)C)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170576254 1162992889 /nfs/dbraw/zinc/99/28/89/1162992889.db2.gz ZOHGRWGAGQLIRD-QMTHXVAHSA-N 0 3 294.355 1.450 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000401211991 1186406476 /nfs/dbraw/zinc/40/64/76/1186406476.db2.gz AMGBLAVWOPPNHM-OUAUKWLOSA-N 0 3 277.324 1.806 20 5 CDBDHN CC(COC(=O)c1ccn(-c2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813103120 723399851 /nfs/dbraw/zinc/39/98/51/723399851.db2.gz ODIMJGDXOHFWFT-VIFPVBQESA-N 0 3 293.254 1.833 20 5 CDBDHN Cc1cc2nc(C)cc(C(=O)OCC(C)[N+](=O)[O-])n2n1 ZINC000813114851 723662555 /nfs/dbraw/zinc/66/25/55/723662555.db2.gz XAJNNOPECNMTOR-VIFPVBQESA-N 0 3 278.268 1.168 20 5 CDBDHN O=C1NCCC12CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000877783383 723552724 /nfs/dbraw/zinc/55/27/24/723552724.db2.gz QXCYBUNNDXAGOP-UHFFFAOYSA-N 0 3 289.335 1.697 20 5 CDBDHN CNC(=O)CN[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173179317 912282320 /nfs/dbraw/zinc/28/23/20/912282320.db2.gz OUZSYGJLSGRJJA-MRVPVSSYSA-N 0 3 299.302 1.009 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)CCO ZINC001173219640 912300748 /nfs/dbraw/zinc/30/07/48/912300748.db2.gz OQGVVAWVCGGVFD-SNVBAGLBSA-N 0 3 266.297 1.067 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)CCO ZINC001173219639 912302361 /nfs/dbraw/zinc/30/23/61/912302361.db2.gz OQGVVAWVCGGVFD-JTQLQIEISA-N 0 3 266.297 1.067 20 5 CDBDHN COc1ccc(CNC[C@@](C)(O)C(F)F)cc1[N+](=O)[O-] ZINC000698678638 912694613 /nfs/dbraw/zinc/69/46/13/912694613.db2.gz UPTJBIHTQFLADL-GFCCVEGCSA-N 0 3 290.266 1.709 20 5 CDBDHN CN1C[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)CC1=O ZINC001168726674 921609934 /nfs/dbraw/zinc/60/99/34/921609934.db2.gz MVSFWSQTLAVRMM-SECBINFHSA-N 0 3 290.323 1.088 20 5 CDBDHN CC(COC(=O)Cn1ccc2ccc(F)cc21)[N+](=O)[O-] ZINC000842801289 918485459 /nfs/dbraw/zinc/48/54/59/918485459.db2.gz FPAOPOBGAXWVKB-VIFPVBQESA-N 0 3 280.255 1.989 20 5 CDBDHN NC(=O)[C@@H](N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168975869 927599284 /nfs/dbraw/zinc/59/92/84/927599284.db2.gz XRQLTUABVVNCGH-WXHSDQCUSA-N 0 3 277.324 1.248 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(CCF)CC2)C1 ZINC001169035972 927643651 /nfs/dbraw/zinc/64/36/51/927643651.db2.gz MKBNAMZRUVQFTQ-NEPJUHHUSA-N 0 3 259.325 1.019 20 5 CDBDHN C[C@]1(O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592619 927785318 /nfs/dbraw/zinc/78/53/18/927785318.db2.gz QZUUMXFZINNBJB-OLZOCXBDSA-N 0 3 266.297 1.085 20 5 CDBDHN C[C@@H](O)[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852559232 927816216 /nfs/dbraw/zinc/81/62/16/927816216.db2.gz HJLYJFKJMJDNEM-HONMWMINSA-N 0 3 280.324 1.473 20 5 CDBDHN CCC[C@@H](C)[C@@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886267781 930843217 /nfs/dbraw/zinc/84/32/17/930843217.db2.gz UXRBHSDQMVAFEM-ZYHUDNBSSA-N 0 3 267.329 1.877 20 5 CDBDHN NCc1cn(-c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC001154905758 937602227 /nfs/dbraw/zinc/60/22/27/937602227.db2.gz PETUDEORDBHJOT-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN NCc1cn(-c2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC001154905487 937602280 /nfs/dbraw/zinc/60/22/80/937602280.db2.gz JBPKCDCBGRDSPC-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN NCc1cnnn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001158427695 938623089 /nfs/dbraw/zinc/62/30/89/938623089.db2.gz DWSQOZKGPUMPKQ-UHFFFAOYSA-N 0 3 297.278 1.091 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2nccc2CN)c1 ZINC001162597934 939100376 /nfs/dbraw/zinc/10/03/76/939100376.db2.gz VTWPFPQSSHLRIY-UHFFFAOYSA-N 0 3 276.252 1.026 20 5 CDBDHN O=[N+]([O-])c1c[nH]c2ncnc(N[C@H]3CN4CCC3CC4)c12 ZINC001163386107 939259928 /nfs/dbraw/zinc/25/99/28/939259928.db2.gz MOHGIZVNGGOZGQ-VIFPVBQESA-N 0 3 288.311 1.372 20 5 CDBDHN CN1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3o2)C1 ZINC001227227708 942152986 /nfs/dbraw/zinc/15/29/86/942152986.db2.gz BZUJNQHCMPPGTD-SECBINFHSA-N 0 3 263.253 1.819 20 5 CDBDHN O=[N+]([O-])CCNCCCOc1cccc2cccnc21 ZINC001262564205 946714719 /nfs/dbraw/zinc/71/47/19/946714719.db2.gz BIBDCTWHMQRSPU-UHFFFAOYSA-N 0 3 275.308 1.870 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(O)CC1 ZINC001254550090 947519961 /nfs/dbraw/zinc/51/99/61/947519961.db2.gz CNPBUOPDLSAPAK-NSHDSACASA-N 0 3 264.325 1.983 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H](CO)c1cccnc1)C2 ZINC001254589665 947541892 /nfs/dbraw/zinc/54/18/92/947541892.db2.gz QRMVDGZIXBWIJO-HOCLYGCPSA-N 0 3 299.330 1.780 20 5 CDBDHN CO[C@H](C)[C@@H](C)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001308930906 956599249 /nfs/dbraw/zinc/59/92/49/956599249.db2.gz MSVVPJMRZLWBKG-DMTCVQMQSA-N 0 3 298.339 1.002 20 5 CDBDHN COc1cc(C(=O)NOCCN(C)C)cc([N+](=O)[O-])c1C ZINC001330818545 956649642 /nfs/dbraw/zinc/64/96/42/956649642.db2.gz DYNCDGUKUICCSJ-UHFFFAOYSA-N 0 3 297.311 1.135 20 5 CDBDHN CC(C)Cn1cccc(C(=O)OCC(C)[N+](=O)[O-])c1=O ZINC001346124734 964947897 /nfs/dbraw/zinc/94/78/97/964947897.db2.gz ZEWJBCLTCBDQFL-JTQLQIEISA-N 0 3 282.296 1.326 20 5 CDBDHN Cc1cc(NC(=O)CNC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001515789111 969917497 /nfs/dbraw/zinc/91/74/97/969917497.db2.gz LCXDGXHNRWAGFS-ZDUSSCGKSA-N 0 3 293.323 1.610 20 5 CDBDHN C[C@H]1[C@H](N2CCCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000588085492 342492413 /nfs/dbraw/zinc/49/24/13/342492413.db2.gz LFPQBBJQDIMNKL-WDEREUQCSA-N 0 3 279.344 1.391 20 5 CDBDHN COCCN(CCN(C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000592758577 342724687 /nfs/dbraw/zinc/72/46/87/342724687.db2.gz JJJWMAKOMCSTGK-UHFFFAOYSA-N 0 3 295.339 1.245 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC[C@@]2(O)CCCOC2)cc1 ZINC000593690956 342823472 /nfs/dbraw/zinc/82/34/72/342823472.db2.gz CTJVRNXZQDWXRY-AWEZNQCLSA-N 0 3 280.324 1.616 20 5 CDBDHN CC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000129817132 342197183 /nfs/dbraw/zinc/19/71/83/342197183.db2.gz NZINFAQQQUKAKB-GFCCVEGCSA-N 0 3 263.297 1.217 20 5 CDBDHN C[C@@H](N[C@@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593719405 342828866 /nfs/dbraw/zinc/82/88/66/342828866.db2.gz XMYVEEWEYRXGQC-MWLCHTKSSA-N 0 3 256.277 1.966 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1COCCN1 ZINC000600678737 342244227 /nfs/dbraw/zinc/24/42/27/342244227.db2.gz TZSZLEVECXFBAE-MASHWEEQSA-N 0 3 277.324 1.186 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc([N+](=O)[O-])c[nH]1 ZINC000594417092 342902753 /nfs/dbraw/zinc/90/27/53/342902753.db2.gz ABXQNWLKJHISCP-DGCLKSJQSA-N 0 3 292.339 1.670 20 5 CDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC/C=C/CO ZINC000595073137 343002504 /nfs/dbraw/zinc/00/25/04/343002504.db2.gz SGOHTUBRIJDOIT-VUDBWIFFSA-N 0 3 293.323 1.450 20 5 CDBDHN C[N@@H+]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596111947 343230274 /nfs/dbraw/zinc/23/02/74/343230274.db2.gz FHXFDJUOZDCQNO-QMMMGPOBSA-N 0 3 252.274 1.059 20 5 CDBDHN C[N@H+]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596111947 343230275 /nfs/dbraw/zinc/23/02/75/343230275.db2.gz FHXFDJUOZDCQNO-QMMMGPOBSA-N 0 3 252.274 1.059 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596244035 343285802 /nfs/dbraw/zinc/28/58/02/343285802.db2.gz OCUVERWQNDYMRT-NSHDSACASA-N 0 3 290.323 1.477 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1 ZINC000598341409 343770121 /nfs/dbraw/zinc/77/01/21/343770121.db2.gz AYUOUOSSZJLZQN-VIFPVBQESA-N 0 3 295.343 1.094 20 5 CDBDHN COC[C@@H](O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000231604275 362330006 /nfs/dbraw/zinc/33/00/06/362330006.db2.gz KYMAEEYUHMMBBX-LBPRGKRZSA-N 0 3 268.313 1.390 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC=CCC1 ZINC000612121912 347031260 /nfs/dbraw/zinc/03/12/60/347031260.db2.gz SYGIZLJQXUDRBZ-LBPRGKRZSA-N 0 3 278.308 1.596 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccsc2)c1 ZINC000063152707 344396084 /nfs/dbraw/zinc/39/60/84/344396084.db2.gz ZGJYFTQZGXTPLX-NSHDSACASA-N 0 3 282.325 1.004 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C[C@@H]1C ZINC000602782732 344597936 /nfs/dbraw/zinc/59/79/36/344597936.db2.gz WHKOLDUVHCGNSC-ZJUUUORDSA-N 0 3 252.318 1.830 20 5 CDBDHN CC(=O)c1ccc(NC[C@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603421149 344800150 /nfs/dbraw/zinc/80/01/50/344800150.db2.gz XZISKNPQWQNFCZ-NSHDSACASA-N 0 3 295.364 1.914 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CSCCN2)cc1 ZINC000603421118 344800164 /nfs/dbraw/zinc/80/01/64/344800164.db2.gz XSLCPEPZYYJGFN-SNVBAGLBSA-N 0 3 253.327 1.712 20 5 CDBDHN Cn1ncc(CCCNCc2csc([N+](=O)[O-])c2)n1 ZINC000292846558 362512729 /nfs/dbraw/zinc/51/27/29/362512729.db2.gz BLGRJWLSIHPZKR-UHFFFAOYSA-N 0 3 281.341 1.507 20 5 CDBDHN C[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000120926680 345642307 /nfs/dbraw/zinc/64/23/07/345642307.db2.gz UHJAQFSKUDDLNI-HUBLWGQQSA-N 0 3 293.367 1.965 20 5 CDBDHN COC(=O)C[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000610484837 346289520 /nfs/dbraw/zinc/28/95/20/346289520.db2.gz IBSYCGILIIQUHL-LLVKDONJSA-N 0 3 296.327 1.209 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](OCCN(C)C)C2)n1 ZINC000611132730 346616897 /nfs/dbraw/zinc/61/68/97/346616897.db2.gz DBDPMHUJNJEVGR-LBPRGKRZSA-N 0 3 294.355 1.455 20 5 CDBDHN COCc1cc([N+](=O)[O-])ccc1N1CC(N(C)C)C1 ZINC000273330194 192115379 /nfs/dbraw/zinc/11/53/79/192115379.db2.gz QYNJAGPKINNBFJ-UHFFFAOYSA-N 0 3 265.313 1.491 20 5 CDBDHN Cc1cnc(NC[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000090692036 180024371 /nfs/dbraw/zinc/02/43/71/180024371.db2.gz JTFXFAFGJMJXDJ-SNVBAGLBSA-N 0 3 250.302 1.662 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848265 180044856 /nfs/dbraw/zinc/04/48/56/180044856.db2.gz ZKABKKVQQPIOJF-RISCZKNCSA-N 0 3 280.324 1.705 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000106879708 186146391 /nfs/dbraw/zinc/14/63/91/186146391.db2.gz RBYPMHCWPMWJQT-LBPRGKRZSA-N 0 3 266.297 1.694 20 5 CDBDHN COc1cccc(C(=O)N[C@H]2CCNC[C@H]2F)c1[N+](=O)[O-] ZINC001579260291 1172128718 /nfs/dbraw/zinc/12/87/18/1172128718.db2.gz ZAYRUBYTKHQDFS-ZJUUUORDSA-N 0 3 297.286 1.033 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000079767916 350966792 /nfs/dbraw/zinc/96/67/92/350966792.db2.gz RVRQEXIVVPDJSJ-AWEZNQCLSA-N 0 3 280.324 1.676 20 5 CDBDHN Cc1c(CNC(=O)[C@H](N)CC(C)C)cccc1[N+](=O)[O-] ZINC000231856419 140219528 /nfs/dbraw/zinc/21/95/28/140219528.db2.gz PJTPZWCKLALXGL-GFCCVEGCSA-N 0 3 279.340 1.893 20 5 CDBDHN CCN(CCCO)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000135426503 358478489 /nfs/dbraw/zinc/47/84/89/358478489.db2.gz AEXHUERIDNIDDS-UHFFFAOYSA-N 0 3 268.313 1.808 20 5 CDBDHN Cc1nn(C)c(NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000271756186 191308368 /nfs/dbraw/zinc/30/83/68/191308368.db2.gz CWLTUTWKGLNYFA-UHFFFAOYSA-N 0 3 265.317 1.311 20 5 CDBDHN COc1ccc(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000060859453 358848389 /nfs/dbraw/zinc/84/83/89/358848389.db2.gz JIMPTWSHHWUQFI-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291316998 358929423 /nfs/dbraw/zinc/92/94/23/358929423.db2.gz UGVPAQWBRIMNEW-FZMZJTMJSA-N 0 3 282.340 1.985 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCOCCN(C)C)n1 ZINC000231208226 359252876 /nfs/dbraw/zinc/25/28/76/359252876.db2.gz KEXADUSNRGMNMP-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN CCN(CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000045914752 360041225 /nfs/dbraw/zinc/04/12/25/360041225.db2.gz QEFVTUIBAIADNU-UHFFFAOYSA-N 0 3 266.297 1.980 20 5 CDBDHN COc1cc(C(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000176372438 360253686 /nfs/dbraw/zinc/25/36/86/360253686.db2.gz ODQXDVVBGXPIAY-UHFFFAOYSA-N 0 3 281.312 1.237 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177176344 189034237 /nfs/dbraw/zinc/03/42/37/189034237.db2.gz WWXQDJPPHQQPAR-QWRGUYRKSA-N 0 3 289.335 1.950 20 5 CDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000130990937 361030740 /nfs/dbraw/zinc/03/07/40/361030740.db2.gz LTLVYWYFHWUWTG-JTQLQIEISA-N 0 3 261.285 1.537 20 5 CDBDHN CN(C)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180601979 189264450 /nfs/dbraw/zinc/26/44/50/189264450.db2.gz CBWSXHYPEXJPDS-UHFFFAOYSA-N 0 3 286.719 1.931 20 5 CDBDHN CC[C@@H]1CN(C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000572716116 361605868 /nfs/dbraw/zinc/60/58/68/361605868.db2.gz XWVKNONUCAWSEK-CYBMUJFWSA-N 0 3 293.367 2.000 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000345816262 364023215 /nfs/dbraw/zinc/02/32/15/364023215.db2.gz KNVTYTGILMFGBR-STQMWFEESA-N 0 3 277.324 1.599 20 5 CDBDHN C[C@]1(F)CNCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000414765809 241376069 /nfs/dbraw/zinc/37/60/69/241376069.db2.gz GGFUGEQCRCXJAG-ZDUSSCGKSA-N 0 3 267.304 1.728 20 5 CDBDHN Cc1nc(N2CCC[C@H]3CN(C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000297361150 367132323 /nfs/dbraw/zinc/13/23/23/367132323.db2.gz CBPFJQADDWBGFM-RYUDHWBXSA-N 0 3 291.355 1.614 20 5 CDBDHN CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)(C)CN1CCCC1 ZINC000416332407 241956085 /nfs/dbraw/zinc/95/60/85/241956085.db2.gz GQBHVALEWNBKBF-UHFFFAOYSA-N 0 3 295.343 1.264 20 5 CDBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000330848265 203310182 /nfs/dbraw/zinc/31/01/82/203310182.db2.gz KWBQQXSTHPWWPT-SECBINFHSA-N 0 3 252.318 1.997 20 5 CDBDHN CNC(=O)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000298714259 373803496 /nfs/dbraw/zinc/80/34/96/373803496.db2.gz WOLKBNFZLBUPEO-SECBINFHSA-N 0 3 251.286 1.209 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](OCC3CC3)C2)n1 ZINC000368791505 374327357 /nfs/dbraw/zinc/32/73/57/374327357.db2.gz LAMHOXGDWZEKGU-CYBMUJFWSA-N 0 3 294.355 1.682 20 5 CDBDHN C[C@H](NCC1(CC(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421864312 374338232 /nfs/dbraw/zinc/33/82/32/374338232.db2.gz XQPINKLMUJYUNE-JTQLQIEISA-N 0 3 277.324 1.901 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820474 246117162 /nfs/dbraw/zinc/11/71/62/246117162.db2.gz CAWPSXZSDWUCBQ-TVQRCGJNSA-N 0 3 292.339 1.248 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)N(C)C ZINC000277586732 374797287 /nfs/dbraw/zinc/79/72/87/374797287.db2.gz MQXKDWVZVFFWKN-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC[C@@H](CO)C2)c(F)c1 ZINC000449428540 374810159 /nfs/dbraw/zinc/81/01/59/374810159.db2.gz RUKWSOAODWEYTO-KOLCDFICSA-N 0 3 268.288 1.985 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000277411112 374786415 /nfs/dbraw/zinc/78/64/15/374786415.db2.gz HWEBJPFNBYCFPF-JTQLQIEISA-N 0 3 293.323 1.285 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCC2(N3CCOCC3)CC2)c1 ZINC000277469881 374790221 /nfs/dbraw/zinc/79/02/21/374790221.db2.gz KAWIZQRZQDAYPC-UHFFFAOYSA-N 0 3 291.351 1.549 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1=CCN(C)CC1 ZINC000278416421 374843142 /nfs/dbraw/zinc/84/31/42/374843142.db2.gz BTXABAZBNHITSS-UHFFFAOYSA-N 0 3 289.335 1.895 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](N2CCCCC2)C1 ZINC000332112200 375006374 /nfs/dbraw/zinc/00/63/74/375006374.db2.gz GLQCABUSNRAUDE-LBPRGKRZSA-N 0 3 293.371 1.389 20 5 CDBDHN CCN(CCNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000227549733 375559011 /nfs/dbraw/zinc/55/90/11/375559011.db2.gz GOAIXSJTJAITGX-UHFFFAOYSA-N 0 3 250.302 1.886 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000353492844 375618968 /nfs/dbraw/zinc/61/89/68/375618968.db2.gz VSEBPUWYYNICSH-UHFFFAOYSA-N 0 3 266.297 1.429 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@]2(O)CCN(C)C2)c1 ZINC000358299722 375960516 /nfs/dbraw/zinc/96/05/16/375960516.db2.gz FOTQPTOFMSPQPN-CYBMUJFWSA-N 0 3 265.313 1.382 20 5 CDBDHN Cc1ccc(NC(=O)[C@@H](N)C2CCOCC2)cc1[N+](=O)[O-] ZINC000262061335 190047669 /nfs/dbraw/zinc/04/76/69/190047669.db2.gz RRDGCMGCCCNLNV-ZDUSSCGKSA-N 0 3 293.323 1.596 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262809853 190063690 /nfs/dbraw/zinc/06/36/90/190063690.db2.gz QYNHUCJXYWEYEK-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN COc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262842799 190064172 /nfs/dbraw/zinc/06/41/72/190064172.db2.gz XPABOMLDOZRYQJ-VHSXEESVSA-N 0 3 293.323 1.426 20 5 CDBDHN Cc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262735297 190061856 /nfs/dbraw/zinc/06/18/56/190061856.db2.gz CHLLICAQVAZUHA-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN COCCN1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000264593350 190121131 /nfs/dbraw/zinc/12/11/31/190121131.db2.gz MBPSLPLUBIKIOM-NSHDSACASA-N 0 3 285.369 1.467 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](O)C23CCCC3)c1 ZINC000433295789 248019592 /nfs/dbraw/zinc/01/95/92/248019592.db2.gz FSXKEBNQASXCBQ-GFCCVEGCSA-N 0 3 280.328 1.171 20 5 CDBDHN CCN(C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000264886973 190141978 /nfs/dbraw/zinc/14/19/78/190141978.db2.gz JASVCHRBLHJIOW-UHFFFAOYSA-N 0 3 294.355 1.465 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)C1CC1 ZINC000265102648 190158477 /nfs/dbraw/zinc/15/84/77/190158477.db2.gz TWBWTAANNRZKSL-ZDUSSCGKSA-N 0 3 280.324 1.854 20 5 CDBDHN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000172794377 377760444 /nfs/dbraw/zinc/76/04/44/377760444.db2.gz ISXPIQDBUBUJNL-UHFFFAOYSA-N 0 3 291.351 1.690 20 5 CDBDHN C[C@@H](NC[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173306661 378122758 /nfs/dbraw/zinc/12/27/58/378122758.db2.gz GWHUKJYKIJSBCQ-QWHCGFSZSA-N 0 3 293.367 1.966 20 5 CDBDHN CN(C)C1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493817042 253564457 /nfs/dbraw/zinc/56/44/57/253564457.db2.gz HKAIRYKYSNNOPC-VMPITWQZSA-N 0 3 289.335 1.818 20 5 CDBDHN COC(=O)c1cnc(SCCN(C)C)c([N+](=O)[O-])c1 ZINC000189345762 140114246 /nfs/dbraw/zinc/11/42/46/140114246.db2.gz GGMJOJGQKJUHMI-UHFFFAOYSA-N 0 3 285.325 1.430 20 5 CDBDHN CO[C@@]1(C)C[C@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451484680 390626908 /nfs/dbraw/zinc/62/69/08/390626908.db2.gz HJATYIHVGNTVMQ-GWCFXTLKSA-N 0 3 282.344 1.622 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CO)C1 ZINC000266912591 391054953 /nfs/dbraw/zinc/05/49/53/391054953.db2.gz JKJCRVVBIRGSQK-GHMZBOCLSA-N 0 3 250.298 1.970 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N)cc1[N+](=O)[O-] ZINC000121818625 391423124 /nfs/dbraw/zinc/42/31/24/391423124.db2.gz LIRDCIFGYPEJCR-BDAKNGLRSA-N 0 3 251.286 1.428 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CCNC(C)(C)C1 ZINC000212733241 391496659 /nfs/dbraw/zinc/49/66/59/391496659.db2.gz WBZSABREJUJPIQ-UHFFFAOYSA-N 0 3 267.333 1.308 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@H](CN3CCCC3)C2)s1 ZINC000192461344 140141203 /nfs/dbraw/zinc/14/12/03/140141203.db2.gz OQWQKHNGNGSXCO-SNVBAGLBSA-N 0 3 282.369 1.973 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C(F)F ZINC000449176777 392017564 /nfs/dbraw/zinc/01/75/64/392017564.db2.gz ULLKKZMGNZZAAP-LDYMZIIASA-N 0 3 274.267 1.741 20 5 CDBDHN N[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC000423180169 392959428 /nfs/dbraw/zinc/95/94/28/392959428.db2.gz IIINJQDBEQOMRE-CQSZACIVSA-N 0 3 289.335 1.607 20 5 CDBDHN CC[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000532494453 393074759 /nfs/dbraw/zinc/07/47/59/393074759.db2.gz CKKYYXOHXJKOCA-ZDUSSCGKSA-N 0 3 295.339 1.430 20 5 CDBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000184642081 148359480 /nfs/dbraw/zinc/35/94/80/148359480.db2.gz KVACJHALCOURHH-ZDUSSCGKSA-N 0 3 293.367 1.841 20 5 CDBDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000312618908 149236209 /nfs/dbraw/zinc/23/62/09/149236209.db2.gz WGPPVPNWAVBUGY-ZANVPECISA-N 0 3 284.287 1.363 20 5 CDBDHN C[C@@H](NC[C@@H](O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000305119448 287031240 /nfs/dbraw/zinc/03/12/40/287031240.db2.gz JBWQGRZLTJGYPC-ZWNOBZJWSA-N 0 3 267.329 1.168 20 5 CDBDHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268108 196237768 /nfs/dbraw/zinc/23/77/68/196237768.db2.gz QRNMHKJTWCKDHR-HJIKLVIJSA-N 0 3 279.340 1.987 20 5 CDBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000040676171 174373856 /nfs/dbraw/zinc/37/38/56/174373856.db2.gz FBLKIEAALQEKQV-LBPRGKRZSA-N 0 3 291.351 1.738 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044286138 175159348 /nfs/dbraw/zinc/15/93/48/175159348.db2.gz SQKHEKARRYLMNO-SNVBAGLBSA-N 0 3 283.353 1.870 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCN(C3CC3)C2)c1 ZINC000044685241 175231141 /nfs/dbraw/zinc/23/11/41/175231141.db2.gz NCCXXPYLBLXXLX-LBPRGKRZSA-N 0 3 261.325 1.921 20 5 CDBDHN Cc1ccc(CNC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071301658 176113861 /nfs/dbraw/zinc/11/38/61/176113861.db2.gz AJPXZONVCBVAJE-ZDUSSCGKSA-N 0 3 250.298 1.764 20 5 CDBDHN CN(C)C1CN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413213733 273793015 /nfs/dbraw/zinc/79/30/15/273793015.db2.gz JZLZUPLGTUDNCD-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCNCC2)c(Br)c1 ZINC000036245114 275041093 /nfs/dbraw/zinc/04/10/93/275041093.db2.gz OSQUTVIVKAKFCN-UHFFFAOYSA-N 0 3 287.117 1.162 20 5 CDBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000174691266 277215066 /nfs/dbraw/zinc/21/50/66/277215066.db2.gz NQNGXLJRIGSSFG-GXTWGEPZSA-N 0 3 289.335 1.904 20 5 CDBDHN COc1cccc(N2C[C@@H]3CCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000450778648 278017049 /nfs/dbraw/zinc/01/70/49/278017049.db2.gz LZEGWCLVUGZJDE-CMPLNLGQSA-N 0 3 277.324 1.744 20 5 CDBDHN C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000134258978 279345277 /nfs/dbraw/zinc/34/52/77/279345277.db2.gz KWTPZUDLZQQZSH-SECBINFHSA-N 0 3 295.314 1.946 20 5 CDBDHN CO[C@@]1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCOC1 ZINC000573814179 294893250 /nfs/dbraw/zinc/89/32/50/294893250.db2.gz CAYRJPZKSOFJAQ-DZGCQCFKSA-N 0 3 292.335 1.977 20 5 CDBDHN CN(CC[C@@H]1CCCO1)CCn1ccc([N+](=O)[O-])n1 ZINC000342603694 482490965 /nfs/dbraw/zinc/49/09/65/482490965.db2.gz LZURKTDEQVWYCA-NSHDSACASA-N 0 3 268.317 1.292 20 5 CDBDHN COCCNCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000234668954 523939095 /nfs/dbraw/zinc/93/90/95/523939095.db2.gz MVABFTHCTZXTOQ-UHFFFAOYSA-N 0 3 275.255 1.521 20 5 CDBDHN C[C@@H](NCCN1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245468014 525448488 /nfs/dbraw/zinc/44/84/88/525448488.db2.gz STJIMPVXQHVUOG-QWHCGFSZSA-N 0 3 293.367 1.966 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](N)CC(C)C ZINC000353434629 525460968 /nfs/dbraw/zinc/46/09/68/525460968.db2.gz CNKDQWOQYWNVEZ-LBPRGKRZSA-N 0 3 295.339 1.593 20 5 CDBDHN CCc1n[nH]c(C(=O)N[C@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000767922482 576239031 /nfs/dbraw/zinc/23/90/31/576239031.db2.gz PXCLRBHVYNOLRA-SNVBAGLBSA-N 0 3 297.359 1.196 20 5 CDBDHN CN(C)CCNC(=S)NCCc1ccccc1[N+](=O)[O-] ZINC000741870399 576576994 /nfs/dbraw/zinc/57/69/94/576576994.db2.gz SQSAUSLXWXBQLH-UHFFFAOYSA-N 0 3 296.396 1.163 20 5 CDBDHN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813103791 617342773 /nfs/dbraw/zinc/34/27/73/617342773.db2.gz UARSHYGRPMCUTN-ZETCQYMHSA-N 0 3 298.295 1.630 20 5 CDBDHN CCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1OC ZINC000891461282 617422449 /nfs/dbraw/zinc/42/24/49/617422449.db2.gz VBKPWGSWQKHMHM-SNVBAGLBSA-N 0 3 280.328 1.895 20 5 CDBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000893329420 617583304 /nfs/dbraw/zinc/58/33/04/617583304.db2.gz QOZHIBZJJCFLTN-ZYHUDNBSSA-N 0 3 298.364 1.508 20 5 CDBDHN C[C@H]1CCCN(CCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891838370 617634297 /nfs/dbraw/zinc/63/42/97/617634297.db2.gz QZPBXQOJSDCMMG-JTQLQIEISA-N 0 3 267.333 1.472 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1Br)[N+](=O)[O-] ZINC000893046708 618098163 /nfs/dbraw/zinc/09/81/63/618098163.db2.gz GFWWFDXODUDTJG-RXMQYKEDSA-N 0 3 292.089 1.005 20 5 CDBDHN Cc1cc(N[C@H](C)[C@H]2CN(C)CCN2C)ccc1[N+](=O)[O-] ZINC000895246948 619492852 /nfs/dbraw/zinc/49/28/52/619492852.db2.gz DFQZCRFTERHUQM-IUODEOHRSA-N 0 3 292.383 1.949 20 5 CDBDHN Cc1nn(C)c(NCCN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000897248821 620442114 /nfs/dbraw/zinc/44/21/14/620442114.db2.gz DAHUCBUFDWKRBD-UHFFFAOYSA-N 0 3 281.360 1.781 20 5 CDBDHN Cc1ccc(N2CCC[C@H](NCC[N+](=O)[O-])C2)cc1 ZINC000905140963 626653632 /nfs/dbraw/zinc/65/36/32/626653632.db2.gz ZGQLLVSSARTSOB-ZDUSSCGKSA-N 0 3 263.341 1.830 20 5 CDBDHN Cc1c(CN2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000917030304 632132560 /nfs/dbraw/zinc/13/25/60/632132560.db2.gz XLKCUNDNJPFDDZ-GFCCVEGCSA-N 0 3 277.324 1.601 20 5 CDBDHN C[C@H](CCO)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446033 695422379 /nfs/dbraw/zinc/42/23/79/695422379.db2.gz BKBPPJHDOQVROL-ZWNOBZJWSA-N 0 3 268.313 1.331 20 5 CDBDHN CCC[C@H](C)[C@@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886267778 695525956 /nfs/dbraw/zinc/52/59/56/695525956.db2.gz UXRBHSDQMVAFEM-CMPLNLGQSA-N 0 3 267.329 1.877 20 5 CDBDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCC[N+](=O)[O-] ZINC000791053175 695584358 /nfs/dbraw/zinc/58/43/58/695584358.db2.gz BIEGSNVIXXRUHM-ZDUSSCGKSA-N 0 3 289.376 1.792 20 5 CDBDHN CC(COC(=O)c1cccc2c1O[C@H](C)C(=O)N2)[N+](=O)[O-] ZINC000813109025 695692925 /nfs/dbraw/zinc/69/29/25/695692925.db2.gz DMSYENBAUFXDLD-JGVFFNPUSA-N 0 3 294.263 1.228 20 5 CDBDHN Cc1oc(-c2ccco2)nc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813104800 695739865 /nfs/dbraw/zinc/73/98/65/695739865.db2.gz HRTIXBXZVWHZMK-MRVPVSSYSA-N 0 3 294.263 1.994 20 5 CDBDHN Cc1ccc(CNCCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000886324412 695782188 /nfs/dbraw/zinc/78/21/88/695782188.db2.gz OSXGTINWFMBJFU-UHFFFAOYSA-N 0 3 278.312 1.018 20 5 CDBDHN CC(COC(=O)[C@@H](C)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113174 695829073 /nfs/dbraw/zinc/82/90/73/695829073.db2.gz XUCGPQRRYAJZDS-NXEZZACHSA-N 0 3 280.280 1.013 20 5 CDBDHN C[C@@H]1C[C@@H](CO)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278162 696030939 /nfs/dbraw/zinc/03/09/39/696030939.db2.gz TVDWPPAZNQMKDG-LALPHHSUSA-N 0 3 294.351 1.579 20 5 CDBDHN C[C@H](Nc1cccc2ncc([N+](=O)[O-])n21)[C@@H]1CNCCO1 ZINC001170577077 1162996956 /nfs/dbraw/zinc/99/69/56/1162996956.db2.gz XZAHMOMYTYWQHT-UWVGGRQHSA-N 0 3 291.311 1.031 20 5 CDBDHN C[C@@H]1NC[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000401211987 1186406508 /nfs/dbraw/zinc/40/65/08/1186406508.db2.gz AMGBLAVWOPPNHM-DCAQKATOSA-N 0 3 277.324 1.806 20 5 CDBDHN CN(C[C@H](O)C1CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591235 723774530 /nfs/dbraw/zinc/77/45/30/723774530.db2.gz HUVOHKUZNDQVIW-UONOGXRCSA-N 0 3 280.324 1.331 20 5 CDBDHN CC(COC(=O)c1cn(C)c(=O)c2ccccc12)[N+](=O)[O-] ZINC000813111466 723878490 /nfs/dbraw/zinc/87/84/90/723878490.db2.gz HZCWNUKHIDWPCE-SECBINFHSA-N 0 3 290.275 1.361 20 5 CDBDHN C[C@]12CCN(CC[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000930366155 724362908 /nfs/dbraw/zinc/36/29/08/724362908.db2.gz FEYWVEPFEJRPGB-SFYZADRCSA-N 0 3 253.129 1.779 20 5 CDBDHN CN(CCOCC1CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592688 724796766 /nfs/dbraw/zinc/79/67/66/724796766.db2.gz SHPJBWICXYSLTA-HNNXBMFYSA-N 0 3 294.351 1.987 20 5 CDBDHN C[C@@H](NCCn1cccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788641678 724814186 /nfs/dbraw/zinc/81/41/86/724814186.db2.gz KJPSEXWJUIIBIU-SNVBAGLBSA-N 0 3 275.312 1.724 20 5 CDBDHN C[C@H](N)c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227460 724830277 /nfs/dbraw/zinc/83/02/77/724830277.db2.gz WZWOHVHIQWOTQS-ZETCQYMHSA-N 0 3 281.703 1.908 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1C1CCC1)[N+](=O)[O-] ZINC000842363225 723739852 /nfs/dbraw/zinc/73/98/52/723739852.db2.gz CFOIFXARFKULTC-QMMMGPOBSA-N 0 3 267.285 1.510 20 5 CDBDHN COCC[C@H](CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000798967443 724072405 /nfs/dbraw/zinc/07/24/05/724072405.db2.gz YWPXRVOCFAYVNX-SNVBAGLBSA-N 0 3 288.731 1.735 20 5 CDBDHN Cc1c(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000819189398 724231824 /nfs/dbraw/zinc/23/18/24/724231824.db2.gz CEDFIYGZGMTJHH-AWEZNQCLSA-N 0 3 290.323 1.460 20 5 CDBDHN CC(COC(=O)c1c(C2CC2)cnn1C)[N+](=O)[O-] ZINC000851037116 725068665 /nfs/dbraw/zinc/06/86/65/725068665.db2.gz QAPYSPBUYAWPLD-ZETCQYMHSA-N 0 3 253.258 1.120 20 5 CDBDHN Cc1nc(C2CCN(CC[N+](=O)[O-])CC2)[nH]c1C ZINC000931748681 725123990 /nfs/dbraw/zinc/12/39/90/725123990.db2.gz MXTXUNSIZKWELB-UHFFFAOYSA-N 0 3 252.318 1.483 20 5 CDBDHN Cc1nn(C(C)C)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000847714613 725269595 /nfs/dbraw/zinc/26/95/95/725269595.db2.gz XLTTUMNYMCVXDO-QMMMGPOBSA-N 0 3 255.274 1.594 20 5 CDBDHN COC(=O)N(C)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000850390388 725408791 /nfs/dbraw/zinc/40/87/91/725408791.db2.gz XYKOWIRUEUTVEL-UHFFFAOYSA-N 0 3 297.311 1.391 20 5 CDBDHN CC(COC(=O)[C@H](C)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113199 725409740 /nfs/dbraw/zinc/40/97/40/725409740.db2.gz XUCGPQRRYAJZDS-ZJUUUORDSA-N 0 3 280.280 1.013 20 5 CDBDHN CC(=O)N[C@H](CCC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000851036814 725411148 /nfs/dbraw/zinc/41/11/48/725411148.db2.gz NKKUULGZEPIVFV-GXSJLCMTSA-N 0 3 274.317 1.136 20 5 CDBDHN C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000856796744 725411816 /nfs/dbraw/zinc/41/18/16/725411816.db2.gz ZDIASTVDWADNEZ-UXIGCNINSA-N 0 3 294.351 1.579 20 5 CDBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1[N+](=O)[O-] ZINC000813107079 725994543 /nfs/dbraw/zinc/99/45/43/725994543.db2.gz LUKPWDJLXUEVQG-MRVPVSSYSA-N 0 3 268.225 1.725 20 5 CDBDHN CC[C@H](NC(=O)CNCCOC)c1cccc([N+](=O)[O-])c1 ZINC000237002867 726007084 /nfs/dbraw/zinc/00/70/84/726007084.db2.gz VDLLSSNCKQQZRK-ZDUSSCGKSA-N 0 3 295.339 1.398 20 5 CDBDHN COc1cnc(-n2nc(CN)c3ccccc32)cc1[N+](=O)[O-] ZINC001167696744 898534176 /nfs/dbraw/zinc/53/41/76/898534176.db2.gz JWTOYUGTZUKUDF-UHFFFAOYSA-N 0 3 299.290 1.796 20 5 CDBDHN COc1ncc([N+](=O)[O-])cc1-n1nc(CN)c2ccccc21 ZINC001167697656 898576387 /nfs/dbraw/zinc/57/63/87/898576387.db2.gz IUBPSYHQUSUPHU-UHFFFAOYSA-N 0 3 299.290 1.796 20 5 CDBDHN CCOc1cnc(-n2ccc([C@@H](C)N)n2)c([N+](=O)[O-])c1 ZINC001169227748 927826853 /nfs/dbraw/zinc/82/68/53/927826853.db2.gz FDPXAJPEDWOLFL-MRVPVSSYSA-N 0 3 277.284 1.594 20 5 CDBDHN CCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154156034 937511054 /nfs/dbraw/zinc/51/10/54/937511054.db2.gz WUIYDENBXCJION-UHFFFAOYSA-N 0 3 279.340 1.991 20 5 CDBDHN NCc1ccnn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001155123659 937638335 /nfs/dbraw/zinc/63/83/35/937638335.db2.gz CWCFTZWBRMWRGY-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN Cc1nc(Cl)nc(-n2cnc3c2CNCC3)c1[N+](=O)[O-] ZINC001164310625 939451272 /nfs/dbraw/zinc/45/12/72/939451272.db2.gz WYTGIWUCYDWTHA-UHFFFAOYSA-N 0 3 294.702 1.178 20 5 CDBDHN Cc1cnc(-n2cnc3c2CNCC3)c([N+](=O)[O-])c1 ZINC001164309844 939451546 /nfs/dbraw/zinc/45/15/46/939451546.db2.gz FPPJMQCARNFQGY-UHFFFAOYSA-N 0 3 259.269 1.130 20 5 CDBDHN O=[N+]([O-])c1c([O-])ccnc1OC1CC[NH+](C2CC2)CC1 ZINC001225667607 941896872 /nfs/dbraw/zinc/89/68/72/941896872.db2.gz SYEVIZNDQBGCNN-UHFFFAOYSA-N 0 3 279.296 1.701 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCN(C)C1 ZINC001229957857 942558516 /nfs/dbraw/zinc/55/85/16/942558516.db2.gz MLPGDKFIWZIPGL-SNVBAGLBSA-N 0 3 294.307 1.773 20 5 CDBDHN CC(=O)N1CC(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254541612 947517511 /nfs/dbraw/zinc/51/75/11/947517511.db2.gz IBGCXGHMKUKWKY-JTQLQIEISA-N 0 3 277.324 1.346 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1N(C)C[C@H]1CCCN1C ZINC001326197880 954260793 /nfs/dbraw/zinc/26/07/93/954260793.db2.gz FLJJOJFGQWOJGW-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN CCCN(C)CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319133468 958391080 /nfs/dbraw/zinc/39/10/80/958391080.db2.gz OGBVLBAXHWMZDX-UHFFFAOYSA-N 0 3 277.324 1.779 20 5 CDBDHN CC(=O)OC[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC001336760658 960558094 /nfs/dbraw/zinc/55/80/94/960558094.db2.gz JSBAGGMGQMLYAS-VIFPVBQESA-N 0 3 266.297 1.944 20 5 CDBDHN Cc1cccc2nc(C(=O)OCC(C)[N+](=O)[O-])cn21 ZINC001344449799 964315260 /nfs/dbraw/zinc/31/52/60/964315260.db2.gz ZGWJTAJSUNXWNI-SECBINFHSA-N 0 3 263.253 1.465 20 5 CDBDHN CC(COC(=O)c1cc(C(F)(F)F)n(C)n1)[N+](=O)[O-] ZINC001515230619 976411569 /nfs/dbraw/zinc/41/15/69/976411569.db2.gz RFMOXMFGBIEWPK-YFKPBYRVSA-N 0 3 281.190 1.261 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCCOC1 ZINC000131912765 341992348 /nfs/dbraw/zinc/99/23/48/341992348.db2.gz ZKCOYTMAEMELOH-LBPRGKRZSA-N 0 3 295.339 1.115 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609132071 342091344 /nfs/dbraw/zinc/09/13/44/342091344.db2.gz FBEHVXXPMWWUTH-UHFFFAOYSA-N 0 3 280.328 1.101 20 5 CDBDHN COc1ccc(CNC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591281829 342624357 /nfs/dbraw/zinc/62/43/57/342624357.db2.gz NFUKYEGZXLHDPF-QWRGUYRKSA-N 0 3 283.303 1.393 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCCCC[C@H]2CO)n1 ZINC000594017169 342866590 /nfs/dbraw/zinc/86/65/90/342866590.db2.gz SUADJVZITHTPGP-NSHDSACASA-N 0 3 268.317 1.028 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000079768099 342232797 /nfs/dbraw/zinc/23/27/97/342232797.db2.gz FIEHEJIPTJQLBB-ZDUSSCGKSA-N 0 3 250.298 1.798 20 5 CDBDHN CC[C@H]1CN(C)CCCN1c1ncccc1[N+](=O)[O-] ZINC000594873684 342973099 /nfs/dbraw/zinc/97/30/99/342973099.db2.gz KWPBZMPONFILKS-NSHDSACASA-N 0 3 264.329 1.910 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCNC(C)=O ZINC000595004923 342995549 /nfs/dbraw/zinc/99/55/49/342995549.db2.gz UIZPGYOJTIVWLR-JTQLQIEISA-N 0 3 295.339 1.780 20 5 CDBDHN Cc1noc(CN2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595507146 343080033 /nfs/dbraw/zinc/08/00/33/343080033.db2.gz KNNVBQDWEBGOFH-JTQLQIEISA-N 0 3 294.355 1.807 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000595872683 343177206 /nfs/dbraw/zinc/17/72/06/343177206.db2.gz KQNSBQWBRWSKDG-DOMZBBRYSA-N 0 3 294.351 1.924 20 5 CDBDHN CCOC(=O)c1ccnc(N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000080684694 342359148 /nfs/dbraw/zinc/35/91/48/342359148.db2.gz NPGIPTPPEAMYKJ-UHFFFAOYSA-N 0 3 296.327 1.164 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000081865279 342373130 /nfs/dbraw/zinc/37/31/30/342373130.db2.gz ZOXHEGFFRQXFKL-UHFFFAOYSA-N 0 3 290.323 1.710 20 5 CDBDHN CS[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1N(C)C ZINC000596177990 343249003 /nfs/dbraw/zinc/24/90/03/343249003.db2.gz KHMDAVBJCQUKSR-NXEZZACHSA-N 0 3 297.384 1.054 20 5 CDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598265396 343744719 /nfs/dbraw/zinc/74/47/19/343744719.db2.gz SOKBQOGCVLKHQZ-NSHDSACASA-N 0 3 294.355 1.773 20 5 CDBDHN Cc1nc(N[C@H](C)C2=CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000295084744 199337140 /nfs/dbraw/zinc/33/71/40/199337140.db2.gz ROCUIYHRYSQBJA-SECBINFHSA-N 0 3 277.328 1.756 20 5 CDBDHN Cc1ccc([C@H](C)N[C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599081501 343957078 /nfs/dbraw/zinc/95/70/78/343957078.db2.gz NJNSXJWWRSMATP-ZKYQVNSYSA-N 0 3 280.324 1.704 20 5 CDBDHN O=[N+]([O-])c1ccc2oc(CNC[C@@H]3CCOC3)nc2c1 ZINC000602512607 344459755 /nfs/dbraw/zinc/45/97/55/344459755.db2.gz WAJACPBDXBVNTI-VIFPVBQESA-N 0 3 277.280 1.862 20 5 CDBDHN CN(C)C1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602696369 344543497 /nfs/dbraw/zinc/54/34/97/344543497.db2.gz QLNKRCRACALXFJ-UHFFFAOYSA-N 0 3 290.323 1.920 20 5 CDBDHN CC[C@](C)(N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203293 344734727 /nfs/dbraw/zinc/73/47/27/344734727.db2.gz NDKMCLHFUIMHKL-ZDUSSCGKSA-N 0 3 293.302 1.958 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC000602997557 344684192 /nfs/dbraw/zinc/68/41/92/344684192.db2.gz MONMQLOKTNVKBP-MCIONIFRSA-N 0 3 294.355 1.417 20 5 CDBDHN CN1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000292773151 362505173 /nfs/dbraw/zinc/50/51/73/362505173.db2.gz LFUQMXKSPOOMSM-GFCCVEGCSA-N 0 3 282.369 1.973 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](O)CC2)cc1 ZINC000293196380 362538806 /nfs/dbraw/zinc/53/88/06/362538806.db2.gz QMZWGFRYBKEWDW-ZDUSSCGKSA-N 0 3 250.298 1.942 20 5 CDBDHN O=[N+]([O-])c1ccc(CCNCc2cnc3cnccn23)cc1 ZINC000344205604 362555309 /nfs/dbraw/zinc/55/53/09/362555309.db2.gz DCCZEXRFIFNTNF-UHFFFAOYSA-N 0 3 297.318 1.970 20 5 CDBDHN Cc1cscc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000094880995 347747716 /nfs/dbraw/zinc/74/77/16/347747716.db2.gz RRQXGHPINSJGBD-LBPRGKRZSA-N 0 3 296.352 1.312 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000086467500 179297898 /nfs/dbraw/zinc/29/78/98/179297898.db2.gz UUIIFTBIZTXWNL-WDEREUQCSA-N 0 3 277.324 1.346 20 5 CDBDHN COc1ccc(CN(CCO)CC2CC2)cc1[N+](=O)[O-] ZINC000064516071 348942987 /nfs/dbraw/zinc/94/29/87/348942987.db2.gz NWSYHBRFZKVWEL-UHFFFAOYSA-N 0 3 280.324 1.808 20 5 CDBDHN COCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090548993 180001756 /nfs/dbraw/zinc/00/17/56/180001756.db2.gz NXFWFGGLURKOMG-UHFFFAOYSA-N 0 3 295.339 1.115 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848263 180044228 /nfs/dbraw/zinc/04/42/28/180044228.db2.gz ZKABKKVQQPIOJF-BXUZGUMPSA-N 0 3 280.324 1.705 20 5 CDBDHN COc1ccc(CN(C)C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000079767476 350965522 /nfs/dbraw/zinc/96/55/22/350965522.db2.gz ODRJBRJIEAFHPP-ZDUSSCGKSA-N 0 3 280.324 1.806 20 5 CDBDHN COC1(C)CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000271699248 191282221 /nfs/dbraw/zinc/28/22/21/191282221.db2.gz GXIMWQXXXBOCPY-UHFFFAOYSA-N 0 3 295.339 1.257 20 5 CDBDHN CN(C)C(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411944801 363384433 /nfs/dbraw/zinc/38/44/33/363384433.db2.gz RFWZDJJWMACZRZ-LBPRGKRZSA-N 0 3 277.324 1.505 20 5 CDBDHN Cc1c(CN2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000050116727 357231436 /nfs/dbraw/zinc/23/14/36/357231436.db2.gz AGHKVHSDZDFEQZ-GFCCVEGCSA-N 0 3 250.298 1.860 20 5 CDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408070038 357804463 /nfs/dbraw/zinc/80/44/63/357804463.db2.gz DSQOQLKCFHHPPE-ZYHUDNBSSA-N 0 3 292.339 1.622 20 5 CDBDHN C[C@H]1NCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000277453147 366467098 /nfs/dbraw/zinc/46/70/98/366467098.db2.gz GQQSXECXAXXLLY-XPMWWOIKSA-N 0 3 289.335 1.817 20 5 CDBDHN COc1ccc(CNC[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000342212371 358966268 /nfs/dbraw/zinc/96/62/68/358966268.db2.gz NMIPPDJEHDHSFD-LBPRGKRZSA-N 0 3 282.340 1.958 20 5 CDBDHN C[C@H](NCCN1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000451103350 359035522 /nfs/dbraw/zinc/03/55/22/359035522.db2.gz NEJRZSQNRPEVAZ-STQMWFEESA-N 0 3 293.367 1.966 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000106882173 359010542 /nfs/dbraw/zinc/01/05/42/359010542.db2.gz SUQBJWGPHCFDQN-NSHDSACASA-N 0 3 266.297 1.694 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H](O)COCC1CC1 ZINC000050015746 359274839 /nfs/dbraw/zinc/27/48/39/359274839.db2.gz VQYHACNWVGGGHN-ZDUSSCGKSA-N 0 3 280.324 1.472 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCCCC2)c1 ZINC000000244271 359384083 /nfs/dbraw/zinc/38/40/83/359384083.db2.gz HJCKVQGTMRZSKI-ZDUSSCGKSA-N 0 3 280.324 1.820 20 5 CDBDHN Nc1c(C(=O)NCCN2CCCC2)cccc1[N+](=O)[O-] ZINC000157306035 237100232 /nfs/dbraw/zinc/10/02/32/237100232.db2.gz NNOVZFAXGKXJEC-UHFFFAOYSA-N 0 3 278.312 1.003 20 5 CDBDHN CCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297003378 200059799 /nfs/dbraw/zinc/05/97/99/200059799.db2.gz GAJIAYDEVIPSSS-LLVKDONJSA-N 0 3 279.344 1.980 20 5 CDBDHN COc1ccc(CN(C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000135615661 359781029 /nfs/dbraw/zinc/78/10/29/359781029.db2.gz RUPQBSJOVOPQHG-SECBINFHSA-N 0 3 254.286 1.416 20 5 CDBDHN CN1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000297943192 200307566 /nfs/dbraw/zinc/30/75/66/200307566.db2.gz SDQVRVZRMKTXML-UHFFFAOYSA-N 0 3 279.340 1.611 20 5 CDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000270411802 360490987 /nfs/dbraw/zinc/49/09/87/360490987.db2.gz XPJHRHLQVXKTGG-WDEREUQCSA-N 0 3 282.369 1.472 20 5 CDBDHN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000147982978 360753833 /nfs/dbraw/zinc/75/38/33/360753833.db2.gz JEFBHEXPAXQGQY-UHFFFAOYSA-N 0 3 267.260 1.169 20 5 CDBDHN COC[C@@H](CCO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000219142280 360806212 /nfs/dbraw/zinc/80/62/12/360806212.db2.gz RBYICZMBYQPVCD-LLVKDONJSA-N 0 3 284.312 1.090 20 5 CDBDHN Cc1nc(N2C[C@H](N3CCCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000294828904 361413148 /nfs/dbraw/zinc/41/31/48/361413148.db2.gz AJIRSOYOQUHYTJ-CMPLNLGQSA-N 0 3 291.355 1.756 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2COCCO2)c1 ZINC000037998092 361523064 /nfs/dbraw/zinc/52/30/64/361523064.db2.gz FMVGQQBHBJLJSL-GFCCVEGCSA-N 0 3 252.270 1.100 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCCCO)C2)nc1 ZINC000304311082 239356345 /nfs/dbraw/zinc/35/63/45/239356345.db2.gz MBHADFVBHAOJPE-LBPRGKRZSA-N 0 3 294.355 1.639 20 5 CDBDHN CCN(C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149253758 364837710 /nfs/dbraw/zinc/83/77/10/364837710.db2.gz RRKWPTOQYVYAJK-UHFFFAOYSA-N 0 3 285.731 1.930 20 5 CDBDHN CN1CC=C(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000271939949 367038105 /nfs/dbraw/zinc/03/81/05/367038105.db2.gz WQMRJLKIJICJQQ-UHFFFAOYSA-N 0 3 293.298 1.726 20 5 CDBDHN COc1ccc(CNC2CCN(OC)CC2)cc1[N+](=O)[O-] ZINC000421403789 244694010 /nfs/dbraw/zinc/69/40/10/244694010.db2.gz XWCTYPIMOSUZBV-UHFFFAOYSA-N 0 3 295.339 1.719 20 5 CDBDHN Cc1nc(N2CC[C@]3(CCN(C)C3)C2)ncc1[N+](=O)[O-] ZINC000295685795 370572124 /nfs/dbraw/zinc/57/21/24/370572124.db2.gz NBCQZUPFFFKWEO-ZDUSSCGKSA-N 0 3 277.328 1.225 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)C2(N)CC2)cc1[N+](=O)[O-] ZINC000237547783 371201835 /nfs/dbraw/zinc/20/18/35/371201835.db2.gz VFRIEEIUJKJHNM-VIFPVBQESA-N 0 3 263.297 1.572 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000368463259 373841159 /nfs/dbraw/zinc/84/11/59/373841159.db2.gz UASVEFYOVLMEKW-KFWWJZLASA-N 0 3 292.335 1.785 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC1CCC(O)CC1 ZINC000020089506 374507856 /nfs/dbraw/zinc/50/78/56/374507856.db2.gz DELTZHFOMFJNKL-UHFFFAOYSA-N 0 3 250.298 1.988 20 5 CDBDHN Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000274531502 374676627 /nfs/dbraw/zinc/67/66/27/374676627.db2.gz UNCDZUAXYBHFLV-JTQLQIEISA-N 0 3 295.343 1.229 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)[C@H]1CCCO1 ZINC000447968990 374727929 /nfs/dbraw/zinc/72/79/29/374727929.db2.gz TYPHAWFYKGZQFZ-UONOGXRCSA-N 0 3 280.324 1.533 20 5 CDBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCOC1 ZINC000280601897 375006813 /nfs/dbraw/zinc/00/68/13/375006813.db2.gz ODOOOMJPNVCLMI-VHSXEESVSA-N 0 3 290.323 1.986 20 5 CDBDHN CCN1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000493587155 375466306 /nfs/dbraw/zinc/46/63/06/375466306.db2.gz QHVDLGCMQHGYQN-SBDDDAINSA-N 0 3 289.335 1.818 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000163393468 375687740 /nfs/dbraw/zinc/68/77/40/375687740.db2.gz PAXCYLFVMFPOND-CYBMUJFWSA-N 0 3 291.351 1.853 20 5 CDBDHN CNC(=O)CCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171040897 376038583 /nfs/dbraw/zinc/03/85/83/376038583.db2.gz WPJDYEWZFAFXPG-UHFFFAOYSA-N 0 3 281.312 1.171 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000262824980 190063613 /nfs/dbraw/zinc/06/36/13/190063613.db2.gz TVRZWTRFOTXMCS-WDEREUQCSA-N 0 3 277.324 1.346 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264400601 190107017 /nfs/dbraw/zinc/10/70/17/190107017.db2.gz JLNNZLZHIXJTSH-VIFPVBQESA-N 0 3 266.301 1.089 20 5 CDBDHN COCCCN(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000172771464 377740858 /nfs/dbraw/zinc/74/08/58/377740858.db2.gz VKWSWNROPTXDNM-UHFFFAOYSA-N 0 3 282.344 1.678 20 5 CDBDHN CN(C)C/C=C/C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266083587 190228884 /nfs/dbraw/zinc/22/88/84/190228884.db2.gz DSDLWSCBFIARPM-VMPITWQZSA-N 0 3 277.324 1.371 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@]2(CCO)CCOC2)c1 ZINC000278550403 194039014 /nfs/dbraw/zinc/03/90/14/194039014.db2.gz ZBONXJVQZSEVAY-ZDUSSCGKSA-N 0 3 266.297 1.226 20 5 CDBDHN COC[C@@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278677840 194098646 /nfs/dbraw/zinc/09/86/46/194098646.db2.gz JOXVQTYBTLRREN-GXTWGEPZSA-N 0 3 280.324 1.569 20 5 CDBDHN CO[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000267611924 190341550 /nfs/dbraw/zinc/34/15/50/190341550.db2.gz BKLSMRIPAMEJOC-OCCSQVGLSA-N 0 3 296.323 1.055 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])N(C)C ZINC000268154855 190381855 /nfs/dbraw/zinc/38/18/55/190381855.db2.gz NEUMOAVBTJSEOE-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN CN(CCNc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000288482334 197090580 /nfs/dbraw/zinc/09/05/80/197090580.db2.gz PJSUBWRLPIGDPF-UHFFFAOYSA-N 0 3 250.302 1.683 20 5 CDBDHN COC[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281318286 195195439 /nfs/dbraw/zinc/19/54/39/195195439.db2.gz ZQEKADIONWVNMK-WDEREUQCSA-N 0 3 268.313 1.561 20 5 CDBDHN CC(C)[C@](C)(NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000289455947 390817132 /nfs/dbraw/zinc/81/71/32/390817132.db2.gz XTPZEXRCRDOQQX-AWEZNQCLSA-N 0 3 279.340 1.627 20 5 CDBDHN COC[C@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000289585213 390821017 /nfs/dbraw/zinc/82/10/17/390821017.db2.gz ARUDLUWFSFYQFW-IINYFYTJSA-N 0 3 294.351 1.914 20 5 CDBDHN C[C@@H](NC(=O)N(C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176241464 390915712 /nfs/dbraw/zinc/91/57/12/390915712.db2.gz GAWMNLKAQAFBDC-LLVKDONJSA-N 0 3 294.355 1.859 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000516294633 390965156 /nfs/dbraw/zinc/96/51/56/390965156.db2.gz ZHVRNERWEXJABJ-GFCCVEGCSA-N 0 3 295.339 1.463 20 5 CDBDHN CCO[C@@H]1CCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000452020131 390977689 /nfs/dbraw/zinc/97/76/89/390977689.db2.gz SRMHXOBAVSCQHP-CHWSQXEVSA-N 0 3 295.339 1.304 20 5 CDBDHN CCOC(=O)N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000185770301 390986451 /nfs/dbraw/zinc/98/64/51/390986451.db2.gz NWGHEUWBIZXVLU-LBPRGKRZSA-N 0 3 293.323 1.915 20 5 CDBDHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccccc1[N+](=O)[O-] ZINC000266462419 391070965 /nfs/dbraw/zinc/07/09/65/391070965.db2.gz MLAMCTQTCCTFIC-QWRGUYRKSA-N 0 3 287.323 1.852 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1CC[C@@H](CO)O1 ZINC000517406044 391125307 /nfs/dbraw/zinc/12/53/07/391125307.db2.gz SGWRIOSHRFCDRS-FJDWXNHUSA-N 0 3 292.335 1.738 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517544285 391162291 /nfs/dbraw/zinc/16/22/91/391162291.db2.gz CEJSLPAEBZLAQN-JTQLQIEISA-N 0 3 280.328 1.100 20 5 CDBDHN CCN1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000413573734 391240975 /nfs/dbraw/zinc/24/09/75/391240975.db2.gz SPMOPSVGTAJBID-SECBINFHSA-N 0 3 251.290 1.199 20 5 CDBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000573908101 391609781 /nfs/dbraw/zinc/60/97/81/391609781.db2.gz AZXDTEASEAGEPT-SNVBAGLBSA-N 0 3 295.343 1.264 20 5 CDBDHN CC(COC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496925356 391930146 /nfs/dbraw/zinc/93/01/46/391930146.db2.gz NYGNBASBGZYKTE-IUCAKERBSA-N 0 3 290.316 1.450 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(N(C)C)CC1 ZINC000416308698 391985205 /nfs/dbraw/zinc/98/52/05/391985205.db2.gz RJIULCUADQEVRZ-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC1(CO)CCSCC1 ZINC000459700556 392500118 /nfs/dbraw/zinc/50/01/18/392500118.db2.gz PSWQXHZAAAELSU-UHFFFAOYSA-N 0 3 282.365 1.943 20 5 CDBDHN Cc1nc(NCC2(N(C)C)CC2)ncc1[N+](=O)[O-] ZINC000419001932 392884200 /nfs/dbraw/zinc/88/42/00/392884200.db2.gz BEIHBMPGGDQJQR-UHFFFAOYSA-N 0 3 251.290 1.199 20 5 CDBDHN COCCCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000419378088 392892333 /nfs/dbraw/zinc/89/23/33/392892333.db2.gz COUCKGMAAKGFOH-UHFFFAOYSA-N 0 3 283.328 1.115 20 5 CDBDHN CCN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282226026 393173194 /nfs/dbraw/zinc/17/31/94/393173194.db2.gz OPIQCZNOUJBGBD-UHFFFAOYSA-N 0 3 264.329 1.709 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CNCCC1(F)F ZINC000449667578 393137720 /nfs/dbraw/zinc/13/77/20/393137720.db2.gz VELOGKLSKOLSTF-NSHDSACASA-N 0 3 299.277 1.630 20 5 CDBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/CN(C)C ZINC000493783236 393220034 /nfs/dbraw/zinc/22/00/34/393220034.db2.gz HHYKVGMULGRRRC-SNAWJCMRSA-N 0 3 278.312 1.693 20 5 CDBDHN COCCNCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000216078322 140161844 /nfs/dbraw/zinc/16/18/44/140161844.db2.gz DCIDPUDWZAXNRZ-UHFFFAOYSA-N 0 3 290.323 1.791 20 5 CDBDHN CSC[C@@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000217864314 140165488 /nfs/dbraw/zinc/16/54/88/140165488.db2.gz HSESAMKJTPEFCK-LBPRGKRZSA-N 0 3 270.354 1.798 20 5 CDBDHN COCCNCCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000261586779 140357204 /nfs/dbraw/zinc/35/72/04/140357204.db2.gz JCQZFTPQOSMNGF-UHFFFAOYSA-N 0 3 271.292 1.690 20 5 CDBDHN CCO[C@H]1C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176260407 148033262 /nfs/dbraw/zinc/03/32/62/148033262.db2.gz LZCPUQRYSKYVIV-NEPJUHHUSA-N 0 3 296.371 1.927 20 5 CDBDHN C[C@H](CN(C)C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000343804855 152309058 /nfs/dbraw/zinc/30/90/58/152309058.db2.gz KAQKXTNNQJJPHC-SNVBAGLBSA-N 0 3 274.324 1.927 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@H]1C ZINC000349873012 154250378 /nfs/dbraw/zinc/25/03/78/154250378.db2.gz JJMVFXDBFGZNAS-ZJUUUORDSA-N 0 3 295.343 1.311 20 5 CDBDHN CC(C)OCCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000350071208 154318701 /nfs/dbraw/zinc/31/87/01/154318701.db2.gz IQOIMVWYRRHRLT-UHFFFAOYSA-N 0 3 270.333 1.538 20 5 CDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000362073901 159060815 /nfs/dbraw/zinc/06/08/15/159060815.db2.gz AKMZNZLODATKNV-RYUDHWBXSA-N 0 3 280.324 1.534 20 5 CDBDHN Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])n[n-]1 ZINC000285735805 196382148 /nfs/dbraw/zinc/38/21/48/196382148.db2.gz QBRYXLHBWHLUNT-UHFFFAOYSA-N 0 3 292.299 1.033 20 5 CDBDHN C[C@@H](NCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000038047387 174057249 /nfs/dbraw/zinc/05/72/49/174057249.db2.gz LMCUBJZADDVZIR-SNVBAGLBSA-N 0 3 286.353 1.680 20 5 CDBDHN C[C@H](NC[C@@H]1COCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038060762 174071745 /nfs/dbraw/zinc/07/17/45/174071745.db2.gz MMMTUPBFIZYHSZ-GXFFZTMASA-N 0 3 266.297 1.661 20 5 CDBDHN C[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(=O)[nH]n1 ZINC000286263202 196545498 /nfs/dbraw/zinc/54/54/98/196545498.db2.gz VASAJJBUPWFDKR-SNVBAGLBSA-N 0 3 288.307 1.571 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)c2nonc21 ZINC000044417229 175173415 /nfs/dbraw/zinc/17/34/15/175173415.db2.gz BYOXLQNXHDNNQE-MRVPVSSYSA-N 0 3 289.295 1.780 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000525805854 262369062 /nfs/dbraw/zinc/36/90/62/262369062.db2.gz FQQOXEBGRIKVFU-NSHDSACASA-N 0 3 277.324 1.666 20 5 CDBDHN Cc1c(CNC(=O)[C@@H](N)C2CCC2)cccc1[N+](=O)[O-] ZINC000399026751 270367911 /nfs/dbraw/zinc/36/79/11/270367911.db2.gz KABBJDIPQADKCA-ZDUSSCGKSA-N 0 3 277.324 1.647 20 5 CDBDHN Cc1ccc(NC(=O)[C@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000399226634 270370879 /nfs/dbraw/zinc/37/08/79/270370879.db2.gz NIYAYTBIGMYTIT-GFCCVEGCSA-N 0 3 263.297 1.969 20 5 CDBDHN Cc1c(CN(C[C@@H](C)O)[C@H](C)CO)cccc1[N+](=O)[O-] ZINC000248957631 280397701 /nfs/dbraw/zinc/39/77/01/280397701.db2.gz QKVWHAPTJBNZSI-GHMZBOCLSA-N 0 3 282.340 1.467 20 5 CDBDHN COCC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000154866422 289219708 /nfs/dbraw/zinc/21/97/08/289219708.db2.gz NAUQMAVVTWVTDA-UHFFFAOYSA-N 0 3 295.339 1.856 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157336212 289284127 /nfs/dbraw/zinc/28/41/27/289284127.db2.gz OYWMPXWZFNVKRX-SNVBAGLBSA-N 0 3 292.339 1.249 20 5 CDBDHN Cc1ccccc1[C@@H](CO)NCCn1cc([N+](=O)[O-])cn1 ZINC000541983856 289529876 /nfs/dbraw/zinc/52/98/76/289529876.db2.gz SVUXGJCQUDSQBS-CQSZACIVSA-N 0 3 290.323 1.423 20 5 CDBDHN CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000556083555 290252560 /nfs/dbraw/zinc/25/25/60/290252560.db2.gz NUGHEVCXNXSBFN-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN Cc1ccc(CN[C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000161571093 524601718 /nfs/dbraw/zinc/60/17/18/524601718.db2.gz RPWFJHVAWONMFG-SECBINFHSA-N 0 3 251.286 1.257 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](N)CC(C)C ZINC000353434628 525461646 /nfs/dbraw/zinc/46/16/46/525461646.db2.gz CNKDQWOQYWNVEZ-GFCCVEGCSA-N 0 3 295.339 1.593 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)NC[C@H]1C ZINC000261667593 535969904 /nfs/dbraw/zinc/96/99/04/535969904.db2.gz ZPLUIYVINBDORT-RKDXNWHRSA-N 0 3 267.333 1.306 20 5 CDBDHN CN1CCC[C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000731030495 575030793 /nfs/dbraw/zinc/03/07/93/575030793.db2.gz ROEIYVOGDCGVLQ-NSHDSACASA-N 0 3 289.339 1.996 20 5 CDBDHN C[C@@H]1CCCN1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000742241381 576591846 /nfs/dbraw/zinc/59/18/46/576591846.db2.gz PIPADSBWOPYMNB-GFCCVEGCSA-N 0 3 291.351 1.738 20 5 CDBDHN CC(COC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1)[N+](=O)[O-] ZINC000893044479 618092526 /nfs/dbraw/zinc/09/25/26/618092526.db2.gz JMKKZZLDCWSDAK-SKDRFNHKSA-N 0 3 292.291 1.460 20 5 CDBDHN CC(COC(=O)c1c2c(nn1C)CCCC2)[N+](=O)[O-] ZINC000893045416 618092868 /nfs/dbraw/zinc/09/28/68/618092868.db2.gz WDXSUYSWMQUZFF-MRVPVSSYSA-N 0 3 267.285 1.121 20 5 CDBDHN COc1cccc2c(C(=O)OCC(C)[N+](=O)[O-])cnn21 ZINC000893046404 618093931 /nfs/dbraw/zinc/09/39/31/618093931.db2.gz ASMWQOGIDYCISL-QMMMGPOBSA-N 0 3 279.252 1.165 20 5 CDBDHN CN1C[C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893938221 618198614 /nfs/dbraw/zinc/19/86/14/618198614.db2.gz CIZJBCQRTWCXRB-GZMMTYOYSA-N 0 3 282.731 1.784 20 5 CDBDHN CCC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895057559 619242133 /nfs/dbraw/zinc/24/21/33/619242133.db2.gz GBTAKUMYACGOBV-SECBINFHSA-N 0 3 266.301 1.274 20 5 CDBDHN COc1ccc(OCCCNCC[N+](=O)[O-])cc1 ZINC000905068653 626614799 /nfs/dbraw/zinc/61/47/99/626614799.db2.gz QLULLZAUMYFBPN-UHFFFAOYSA-N 0 3 254.286 1.330 20 5 CDBDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905119120 626630390 /nfs/dbraw/zinc/63/03/90/626630390.db2.gz ZYNUXUIBRRJOSK-SNVBAGLBSA-N 0 3 273.333 1.252 20 5 CDBDHN O=[N+]([O-])CCNC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000905231005 626685900 /nfs/dbraw/zinc/68/59/00/626685900.db2.gz IIVZPKBKDZVRJG-CABCVRRESA-N 0 3 296.342 1.766 20 5 CDBDHN CC(C)Oc1ccc([C@H](CNCC[N+](=O)[O-])N(C)C)cc1 ZINC000905263376 626712426 /nfs/dbraw/zinc/71/24/26/626712426.db2.gz VAMIJFDCHCNCFT-HNNXBMFYSA-N 0 3 295.383 1.943 20 5 CDBDHN C[C@H](O)[C@](C)(CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905366031 626785202 /nfs/dbraw/zinc/78/52/02/626785202.db2.gz SCVWGDJELLLTFB-JSGCOSHPSA-N 0 3 266.341 1.483 20 5 CDBDHN O=[N+]([O-])CCNC[C@H](CO)c1ccc(Cl)cc1 ZINC000905415745 626804366 /nfs/dbraw/zinc/80/43/66/626804366.db2.gz OMINBPKAJFZALX-SNVBAGLBSA-N 0 3 258.705 1.282 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCOC3CC3)C2)nc1 ZINC000929986051 632224495 /nfs/dbraw/zinc/22/44/95/632224495.db2.gz FEPVUWMAFYLUEI-LLVKDONJSA-N 0 3 292.339 1.655 20 5 CDBDHN C[C@@H](Nc1c(Cl)nccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170565132 1162932984 /nfs/dbraw/zinc/93/29/84/1162932984.db2.gz UGOBGXZHTDPKIL-APPZFPTMSA-N 0 3 286.719 1.432 20 5 CDBDHN Cc1cnc(CN)n1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001169029443 1161997519 /nfs/dbraw/zinc/99/75/19/1161997519.db2.gz PQYJOTDBPQHSLO-UHFFFAOYSA-N 0 3 272.268 1.424 20 5 CDBDHN C[C@@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[NH+](C)C ZINC001589876757 1173193388 /nfs/dbraw/zinc/19/33/88/1173193388.db2.gz PMUAPRLXUWIUIX-QMMMGPOBSA-N 0 3 291.315 1.137 20 5 CDBDHN CC(COC(=O)c1cc2nccnc2cc1F)[N+](=O)[O-] ZINC000813114596 1163817354 /nfs/dbraw/zinc/81/73/54/1163817354.db2.gz DJUCCQMBHXKNPK-SSDOTTSWSA-N 0 3 279.227 1.591 20 5 CDBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCC(F)(F)F ZINC000839735792 726261364 /nfs/dbraw/zinc/26/13/64/726261364.db2.gz FWPFDHMMTPJMAA-RKDXNWHRSA-N 0 3 297.277 1.042 20 5 CDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000830703549 726261540 /nfs/dbraw/zinc/26/15/40/726261540.db2.gz DGAJAQQKHHTKLM-CYBMUJFWSA-N 0 3 282.340 1.579 20 5 CDBDHN CC(COC(=O)[C@@H](C)OCCc1ccccc1)[N+](=O)[O-] ZINC000835454508 727229973 /nfs/dbraw/zinc/22/99/73/727229973.db2.gz KCSZYJJOAQYHJB-VXGBXAGGSA-N 0 3 281.308 1.843 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000796205270 726271142 /nfs/dbraw/zinc/27/11/42/726271142.db2.gz XCFZZDOPHNRUNA-UONOGXRCSA-N 0 3 280.324 1.739 20 5 CDBDHN COc1ccn2c(C(=O)OCC(C)[N+](=O)[O-])cnc2c1 ZINC000821166914 726399000 /nfs/dbraw/zinc/39/90/00/726399000.db2.gz KKAIPQMPHWOHMB-MRVPVSSYSA-N 0 3 279.252 1.165 20 5 CDBDHN CC[C@H](CO)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000857329528 726916906 /nfs/dbraw/zinc/91/69/06/726916906.db2.gz LWPPUGLEQLJXAL-WDEREUQCSA-N 0 3 295.339 1.591 20 5 CDBDHN Cc1c(CNCCO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000724911221 726932979 /nfs/dbraw/zinc/93/29/79/726932979.db2.gz PKFXNNPRJORDFM-ZDUSSCGKSA-N 0 3 280.324 1.798 20 5 CDBDHN O=[N+]([O-])c1cnc2ccccc2c1NC[C@@H]1CNCCO1 ZINC000130607130 727301908 /nfs/dbraw/zinc/30/19/08/727301908.db2.gz BJBTUOLUFGPYQD-JTQLQIEISA-N 0 3 288.307 1.543 20 5 CDBDHN CC[S@@](=O)CCNCc1cccc([N+](=O)[O-])c1C ZINC000132811535 727305778 /nfs/dbraw/zinc/30/57/78/727305778.db2.gz AVGVJZBCVMDTBC-SFHVURJKSA-N 0 3 270.354 1.761 20 5 CDBDHN COC[C@@H](NCc1cccnc1[N+](=O)[O-])C(C)C ZINC000886127132 727391305 /nfs/dbraw/zinc/39/13/05/727391305.db2.gz BTIXYRINDFQANN-LLVKDONJSA-N 0 3 253.302 1.750 20 5 CDBDHN CN(C)CCONC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000839781573 727397426 /nfs/dbraw/zinc/39/74/26/727397426.db2.gz UEXXQPTWODTOEQ-QWHCGFSZSA-N 0 3 293.323 1.308 20 5 CDBDHN CC(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813109550 727828072 /nfs/dbraw/zinc/82/80/72/727828072.db2.gz LHRUWDHZKASMIY-MRVPVSSYSA-N 0 3 280.280 1.775 20 5 CDBDHN CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000826086461 727998497 /nfs/dbraw/zinc/99/84/97/727998497.db2.gz VFCYGDYNOQKOJO-NSHDSACASA-N 0 3 271.361 1.375 20 5 CDBDHN CC(COC(=O)c1ccc2[nH]c(=O)oc2c1)[N+](=O)[O-] ZINC000813113729 728201042 /nfs/dbraw/zinc/20/10/42/728201042.db2.gz IHQITTPOKRJAMR-LURJTMIESA-N 0 3 266.209 1.355 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CCC(C)(C)C1 ZINC000890079882 728286576 /nfs/dbraw/zinc/28/65/76/728286576.db2.gz JRDZLVUSPLPMNB-UHFFFAOYSA-N 0 3 294.355 1.395 20 5 CDBDHN C[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000311645736 898883763 /nfs/dbraw/zinc/88/37/63/898883763.db2.gz CXZNQSIFFHDDBM-SSDOTTSWSA-N 0 3 265.248 1.393 20 5 CDBDHN CC(COC(=O)[C@H](C)Oc1ccccn1)[N+](=O)[O-] ZINC000835456164 936734427 /nfs/dbraw/zinc/73/44/27/936734427.db2.gz SBQSPCFJHOBKEW-IUCAKERBSA-N 0 3 254.242 1.057 20 5 CDBDHN C[NH+](C)CCn1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199802308 925867681 /nfs/dbraw/zinc/86/76/81/925867681.db2.gz OJYHCHSXMSYJHG-UHFFFAOYSA-N 0 3 291.311 1.802 20 5 CDBDHN CC(C)N1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776276946 926537168 /nfs/dbraw/zinc/53/71/68/926537168.db2.gz LYRRBBDQUBAFGL-HNNXBMFYSA-N 0 3 293.367 1.654 20 5 CDBDHN NCc1cnnn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001169310274 927945510 /nfs/dbraw/zinc/94/55/10/927945510.db2.gz SZCZHDZTQWBLHO-UHFFFAOYSA-N 0 3 258.241 1.116 20 5 CDBDHN CCOc1cc([N+](=O)[O-])ccc1-n1nncc1CN ZINC001169309615 927946853 /nfs/dbraw/zinc/94/68/53/927946853.db2.gz FIJHWKMBNCQAJF-UHFFFAOYSA-N 0 3 263.257 1.033 20 5 CDBDHN CC[C@H](CO)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000857329523 928694899 /nfs/dbraw/zinc/69/48/99/928694899.db2.gz LWPPUGLEQLJXAL-GHMZBOCLSA-N 0 3 295.339 1.591 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)CCOCCO)c1 ZINC000882951516 930109167 /nfs/dbraw/zinc/10/91/67/930109167.db2.gz IOXNKYUBSNHFRF-UHFFFAOYSA-N 0 3 297.355 1.256 20 5 CDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC001154063873 937498724 /nfs/dbraw/zinc/49/87/24/937498724.db2.gz DFQQCSUZCNITOH-UHFFFAOYSA-N 0 3 277.324 1.601 20 5 CDBDHN Cc1cc(NC(=O)[C@@H](N)CC(F)F)cc([N+](=O)[O-])c1 ZINC001122599573 937944536 /nfs/dbraw/zinc/94/45/36/937944536.db2.gz NWRFRSPAAQIJIR-VIFPVBQESA-N 0 3 273.239 1.824 20 5 CDBDHN Cc1nc(N[C@]2(C)CCCN(C)C2)ncc1[N+](=O)[O-] ZINC001162340436 939029420 /nfs/dbraw/zinc/02/94/20/939029420.db2.gz SNJOTPSHEACGPF-GFCCVEGCSA-N 0 3 265.317 1.589 20 5 CDBDHN NCc1ccnn1-c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001162585344 939094456 /nfs/dbraw/zinc/09/44/56/939094456.db2.gz DMROVMJPHJMDSL-UHFFFAOYSA-N 0 3 294.702 1.560 20 5 CDBDHN Cc1c(F)cc([N+](=O)[O-])cc1-n1nccc1CN ZINC001162597783 939100156 /nfs/dbraw/zinc/10/01/56/939100156.db2.gz SJVLXZHIUPFTGJ-UHFFFAOYSA-N 0 3 250.233 1.687 20 5 CDBDHN COC(=O)c1cccc([N+](=O)[O-])c1OC1CCN(C)CC1 ZINC001227122310 942137198 /nfs/dbraw/zinc/13/71/98/942137198.db2.gz MJNLFJHZGUXGPH-UHFFFAOYSA-N 0 3 294.307 1.854 20 5 CDBDHN CCN1CC[C@@H](Oc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001227295038 942164392 /nfs/dbraw/zinc/16/43/92/942164392.db2.gz IBLTVALNZVIEDK-LLVKDONJSA-N 0 3 294.307 1.854 20 5 CDBDHN CC(C)N1CCC[C@H](Oc2ncncc2[N+](=O)[O-])C1 ZINC001228656123 942348858 /nfs/dbraw/zinc/34/88/58/942348858.db2.gz ZQWQZWSAQBQOMB-JTQLQIEISA-N 0 3 266.301 1.636 20 5 CDBDHN CCOC(=O)c1ccc(O[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001230912642 942732824 /nfs/dbraw/zinc/73/28/24/942732824.db2.gz IKFRQWNONREBKT-NSHDSACASA-N 0 3 294.307 1.854 20 5 CDBDHN CCN1CC[C@@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233702695 943643460 /nfs/dbraw/zinc/64/34/60/943643460.db2.gz PCWQGQAZZJJQLJ-SNVBAGLBSA-N 0 3 281.268 1.976 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC001331701091 957214859 /nfs/dbraw/zinc/21/48/59/957214859.db2.gz GHRODSAUQOICCH-YPMHNXCESA-N 0 3 277.324 1.991 20 5 CDBDHN Cc1cc(NC(=O)[C@H](N)CC2CC2)cc([N+](=O)[O-])c1 ZINC001356537965 969420335 /nfs/dbraw/zinc/42/03/35/969420335.db2.gz PBTRLABEPRUTMF-GFCCVEGCSA-N 0 3 263.297 1.969 20 5 CDBDHN CCc1nn(C)c(NC[C@@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000091562095 1174299240 /nfs/dbraw/zinc/29/92/40/1174299240.db2.gz LTOFQHPYDMKPNT-JTQLQIEISA-N 0 3 281.360 1.787 20 5 CDBDHN CCOc1cc(NC(=O)CNC)c([N+](=O)[O-])cc1OCC ZINC001573801136 1170780270 /nfs/dbraw/zinc/78/02/70/1170780270.db2.gz NNBHWOWKXJTSTI-UHFFFAOYSA-N 0 3 297.311 1.550 20 5 CDBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000608860438 342079365 /nfs/dbraw/zinc/07/93/65/342079365.db2.gz LOQZKAAUKHKAQM-CYBMUJFWSA-N 0 3 290.323 1.284 20 5 CDBDHN COc1ccc(CN[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000096811733 185115281 /nfs/dbraw/zinc/11/52/81/185115281.db2.gz YCJBBAVMCJNLNX-SECBINFHSA-N 0 3 254.286 1.464 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1NCC1(C)C ZINC000591673492 342641481 /nfs/dbraw/zinc/64/14/81/342641481.db2.gz ZGDBVXAIKYDTDK-LLVKDONJSA-N 0 3 263.297 1.840 20 5 CDBDHN CC(=O)NCCN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000592151882 342669151 /nfs/dbraw/zinc/66/91/51/342669151.db2.gz BZGBCGFNOGHAMB-UHFFFAOYSA-N 0 3 295.339 1.432 20 5 CDBDHN CCCN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCN(C)C1 ZINC000592459968 342694231 /nfs/dbraw/zinc/69/42/31/342694231.db2.gz ROZSKNKMXLNIGY-NSHDSACASA-N 0 3 294.355 1.490 20 5 CDBDHN C[C@H](O)CCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000075782611 342190565 /nfs/dbraw/zinc/19/05/65/342190565.db2.gz LWGCJEDMXGNXMV-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN CCC[C@H](N[C@@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000323180857 342840761 /nfs/dbraw/zinc/84/07/61/342840761.db2.gz PIVAKUKVQCLXBE-MJBXVCDLSA-N 0 3 280.324 1.785 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](OC3CCC3)C2)n1 ZINC000594026746 342867806 /nfs/dbraw/zinc/86/78/06/342867806.db2.gz ODPOKXGJARAFQB-ZDUSSCGKSA-N 0 3 294.355 1.825 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1COCCN1 ZINC000600678734 342244120 /nfs/dbraw/zinc/24/41/20/342244120.db2.gz TZSZLEVECXFBAE-HSBHDXMMSA-N 0 3 277.324 1.186 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])[nH]1 ZINC000594422363 342903813 /nfs/dbraw/zinc/90/38/13/342903813.db2.gz YQOTWQDHJSIDFS-PWSUYJOCSA-N 0 3 292.339 1.670 20 5 CDBDHN CC[C@](C)(N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651339 342933039 /nfs/dbraw/zinc/93/30/39/342933039.db2.gz BYDDNGORTYTNGQ-LBPRGKRZSA-N 0 3 277.284 1.465 20 5 CDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000108303859 349734395 /nfs/dbraw/zinc/73/43/95/349734395.db2.gz OEQXNOXSCOOKAB-SNVBAGLBSA-N 0 3 279.296 1.402 20 5 CDBDHN C[C@@H](CC[NH+](C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596099746 343235965 /nfs/dbraw/zinc/23/59/65/343235965.db2.gz WIPLDSQFEWTGSS-QMMMGPOBSA-N 0 3 254.290 1.448 20 5 CDBDHN CCN1CCCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000596270275 343281642 /nfs/dbraw/zinc/28/16/42/343281642.db2.gz YEORKBLCKABMJF-JTQLQIEISA-N 0 3 267.333 1.249 20 5 CDBDHN CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596518865 343340754 /nfs/dbraw/zinc/34/07/54/343340754.db2.gz XXKJJNAJPUPPHO-NSHDSACASA-N 0 3 292.339 1.590 20 5 CDBDHN Cn1c(C(=O)N[C@H]2CCN(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925762 343663657 /nfs/dbraw/zinc/66/36/57/343663657.db2.gz QYXFRMJEYRLDSJ-JTQLQIEISA-N 0 3 294.355 1.536 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000598569146 343831825 /nfs/dbraw/zinc/83/18/25/343831825.db2.gz AZAGCEZQPJHHJD-AWEZNQCLSA-N 0 3 291.351 1.973 20 5 CDBDHN C[C@H](NCCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599085238 343951086 /nfs/dbraw/zinc/95/10/86/343951086.db2.gz NJSRDGBWUWFUDJ-SMDDNHRTSA-N 0 3 279.340 1.312 20 5 CDBDHN CC[C@H](N[C@@H]1CCOC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000599078788 343955972 /nfs/dbraw/zinc/95/59/72/343955972.db2.gz BCOWGDGAVSQULJ-BFHYXJOUSA-N 0 3 280.324 1.785 20 5 CDBDHN CCN1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602802051 344591165 /nfs/dbraw/zinc/59/11/65/344591165.db2.gz SKSHIFHFMRVKLV-LLVKDONJSA-N 0 3 281.360 1.126 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000161301290 362446244 /nfs/dbraw/zinc/44/62/44/362446244.db2.gz SJNMUZHZAWYHFO-LDYMZIIASA-N 0 3 251.286 1.907 20 5 CDBDHN O=[N+]([O-])c1cc(F)c(NC[C@H]2CSCCN2)c(F)c1 ZINC000603419385 344807693 /nfs/dbraw/zinc/80/76/93/344807693.db2.gz NEWSSQJEUXZMRZ-ZETCQYMHSA-N 0 3 289.307 1.990 20 5 CDBDHN O=[N+]([O-])c1cccc(F)c1NC[C@H]1CSCCN1 ZINC000603418567 344807696 /nfs/dbraw/zinc/80/76/96/344807696.db2.gz GGKIDYRWVVTXOT-QMMMGPOBSA-N 0 3 271.317 1.851 20 5 CDBDHN C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057719219 347086532 /nfs/dbraw/zinc/08/65/32/347086532.db2.gz CRECXCUABUWXMG-LLVKDONJSA-N 0 3 291.351 1.736 20 5 CDBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000609833560 346004680 /nfs/dbraw/zinc/00/46/80/346004680.db2.gz NBVPDPPUSPNUSY-SNVBAGLBSA-N 0 3 281.312 1.792 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(CO)COC1 ZINC000539053798 282445333 /nfs/dbraw/zinc/44/53/33/282445333.db2.gz HBBKIAWWJIPKNC-NSHDSACASA-N 0 3 280.324 1.563 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)CC2CC2)cc1 ZINC000611108185 346609767 /nfs/dbraw/zinc/60/97/67/346609767.db2.gz BISXCPNGYMJEAL-GFCCVEGCSA-N 0 3 250.298 1.845 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@H](CO)CC2CC2)cs1 ZINC000611108213 346610426 /nfs/dbraw/zinc/61/04/26/346610426.db2.gz HQXJPVRIHYGJNK-JTQLQIEISA-N 0 3 256.327 1.907 20 5 CDBDHN CN(CCN(C)C1CC1)c1cccnc1[N+](=O)[O-] ZINC000613701010 347878544 /nfs/dbraw/zinc/87/85/44/347878544.db2.gz SADWXDUOLKHYLR-UHFFFAOYSA-N 0 3 250.302 1.520 20 5 CDBDHN C[C@H](NCCSCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293657334 362852658 /nfs/dbraw/zinc/85/26/58/362852658.db2.gz IXDRETNOGWHYIE-JTQLQIEISA-N 0 3 299.396 1.943 20 5 CDBDHN C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N(C)C ZINC000266096691 362939431 /nfs/dbraw/zinc/93/94/31/362939431.db2.gz QSCJPLOGGDLUMJ-JTQLQIEISA-N 0 3 265.313 1.204 20 5 CDBDHN CCc1nn(C)c(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000091559437 180191466 /nfs/dbraw/zinc/19/14/66/180191466.db2.gz DWKVHAJRMALXBS-UHFFFAOYSA-N 0 3 267.333 1.397 20 5 CDBDHN CNC(=O)c1ccc(NC[C@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000108876873 186234211 /nfs/dbraw/zinc/23/42/11/186234211.db2.gz JBWAOHVUKVFWFC-VIFPVBQESA-N 0 3 280.328 1.316 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000110652177 186311396 /nfs/dbraw/zinc/31/13/96/186311396.db2.gz ISVMOPYRQJTACY-VIFPVBQESA-N 0 3 281.287 1.415 20 5 CDBDHN CC(C)NC(=O)c1ccc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000291381298 198005856 /nfs/dbraw/zinc/00/58/56/198005856.db2.gz RNYFGXMWGDPJCA-UHFFFAOYSA-N 0 3 294.355 1.707 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000154180793 188128042 /nfs/dbraw/zinc/12/80/42/188128042.db2.gz RIBSHQDLEVWKMJ-WFASDCNBSA-N 0 3 294.351 1.987 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC2(O)CCOCC2)cc1 ZINC000112717160 366125497 /nfs/dbraw/zinc/12/54/97/366125497.db2.gz MQYAKGMCKFADEQ-UHFFFAOYSA-N 0 3 266.297 1.226 20 5 CDBDHN CCC[C@@H](N)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000229926542 356313740 /nfs/dbraw/zinc/31/37/40/356313740.db2.gz FTVIKZNZNGXWPT-LLVKDONJSA-N 0 3 261.285 1.975 20 5 CDBDHN COc1cccc(N[C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000134929157 356655118 /nfs/dbraw/zinc/65/51/18/356655118.db2.gz KNKSFDUKTKCONU-SECBINFHSA-N 0 3 253.302 1.965 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000379469202 357122659 /nfs/dbraw/zinc/12/26/59/357122659.db2.gz NTHXUZSGUNWDLD-RKDXNWHRSA-N 0 3 281.287 1.556 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000048411457 357182245 /nfs/dbraw/zinc/18/22/45/357182245.db2.gz KEFYZGDGFMLHQF-LLVKDONJSA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000189558489 358025336 /nfs/dbraw/zinc/02/53/36/358025336.db2.gz HICNIBWNEDJRGQ-QWHCGFSZSA-N 0 3 293.367 1.482 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190886197 358098140 /nfs/dbraw/zinc/09/81/40/358098140.db2.gz IYBVJMIAXZILTQ-OSMZGAPFSA-N 0 3 280.324 1.188 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCOCC(F)F)c1 ZINC000190890215 358098462 /nfs/dbraw/zinc/09/84/62/358098462.db2.gz KAGSOLUBZOURKL-UHFFFAOYSA-N 0 3 260.240 1.966 20 5 CDBDHN C[C@H]1CCNC(=O)[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000193631738 358310503 /nfs/dbraw/zinc/31/05/03/358310503.db2.gz UNOXACGCEUHTSR-GXFFZTMASA-N 0 3 293.323 1.088 20 5 CDBDHN Cc1c(CNC(C)(C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000186235059 358792098 /nfs/dbraw/zinc/79/20/98/358792098.db2.gz RESFSFAYQCCFRD-UHFFFAOYSA-N 0 3 265.313 1.647 20 5 CDBDHN CCN(CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000134231241 358999868 /nfs/dbraw/zinc/99/98/68/358999868.db2.gz OIDILKJKBNULSS-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN CN(CC[C@@H]1CCCO1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000342612639 359135640 /nfs/dbraw/zinc/13/56/40/359135640.db2.gz YHEYWLVVJUNIDE-ZDUSSCGKSA-N 0 3 295.339 1.257 20 5 CDBDHN Cc1nn(C)c(N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000049502132 359314213 /nfs/dbraw/zinc/31/42/13/359314213.db2.gz ASVCGTITFHOXBE-SNVBAGLBSA-N 0 3 281.360 1.923 20 5 CDBDHN O=[N+]([O-])c1ccccc1N[C@@H](CO)CN1CCCCC1 ZINC000288888982 359412263 /nfs/dbraw/zinc/41/22/63/359412263.db2.gz HIOSKBLVHVTVID-GFCCVEGCSA-N 0 3 279.340 1.854 20 5 CDBDHN COc1ccc(CN(CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000221196583 359508495 /nfs/dbraw/zinc/50/84/95/359508495.db2.gz XSFMALRENIDIPA-UHFFFAOYSA-N 0 3 280.324 1.950 20 5 CDBDHN CN1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000297807225 200284805 /nfs/dbraw/zinc/28/48/05/200284805.db2.gz IGKTWIFSTPTQOH-UHFFFAOYSA-N 0 3 279.340 1.611 20 5 CDBDHN C[C@@H]1[C@H](CO)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000385839491 360358468 /nfs/dbraw/zinc/35/84/68/360358468.db2.gz VNUSRCLBKBVCGK-PWSUYJOCSA-N 0 3 250.298 1.798 20 5 CDBDHN CCc1nn(C)c(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000575155310 360970916 /nfs/dbraw/zinc/97/09/16/360970916.db2.gz ILSOLKSMEJJRCY-NXEZZACHSA-N 0 3 293.371 1.928 20 5 CDBDHN Cc1ccc([C@H](C)NCCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000289758447 360954497 /nfs/dbraw/zinc/95/44/97/360954497.db2.gz HXZPNUZYEXXIGG-NSHDSACASA-N 0 3 292.339 1.579 20 5 CDBDHN CCOCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000036229523 361320033 /nfs/dbraw/zinc/32/00/33/361320033.db2.gz QAGDPLRNOJFGJJ-UHFFFAOYSA-N 0 3 254.286 1.730 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN[C@H](CO)c2ccccc2)c1 ZINC000182895605 189338859 /nfs/dbraw/zinc/33/88/59/189338859.db2.gz WMRAINUDZRVNNN-CYBMUJFWSA-N 0 3 276.296 1.115 20 5 CDBDHN CC(=O)N1CC(NC/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000581498634 364001893 /nfs/dbraw/zinc/00/18/93/364001893.db2.gz FNLKIGVFOJTRSL-IZZDOVSWSA-N 0 3 289.335 1.818 20 5 CDBDHN Cc1ccc(CN[C@@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000168212585 364118396 /nfs/dbraw/zinc/11/83/96/364118396.db2.gz LJKLIDKQMPGHNV-YPMLDQLKSA-N 0 3 270.354 1.760 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCOCC(F)F)cc1 ZINC000190895110 189577801 /nfs/dbraw/zinc/57/78/01/189577801.db2.gz BFGDBJGBBBWSND-UHFFFAOYSA-N 0 3 260.240 1.966 20 5 CDBDHN CC(C)N(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000151989869 364803590 /nfs/dbraw/zinc/80/35/90/364803590.db2.gz FJIPTSPEUOKCFC-UHFFFAOYSA-N 0 3 293.367 1.936 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCC[C@@H]1O ZINC000305810560 364941914 /nfs/dbraw/zinc/94/19/14/364941914.db2.gz LZFRCEMZGKYSLR-AAEUAGOBSA-N 0 3 282.344 1.274 20 5 CDBDHN CS[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270932028 366945789 /nfs/dbraw/zinc/94/57/89/366945789.db2.gz CSUVPCGSCKXIMC-RYUDHWBXSA-N 0 3 296.396 1.780 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000130531417 367284909 /nfs/dbraw/zinc/28/49/09/367284909.db2.gz BWBMETPKHQNZHR-PRHODGIISA-N 0 3 281.312 1.915 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000054460278 367294369 /nfs/dbraw/zinc/29/43/69/367294369.db2.gz ZALQXLATHAEDKH-LLVKDONJSA-N 0 3 292.339 1.512 20 5 CDBDHN C[C@]1(F)CNCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420323788 244085805 /nfs/dbraw/zinc/08/58/05/244085805.db2.gz BLYHXTOXEBLCCY-AWEZNQCLSA-N 0 3 297.330 1.607 20 5 CDBDHN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN[C@H](C)C1 ZINC000420333148 244100146 /nfs/dbraw/zinc/10/01/46/244100146.db2.gz HLXZYBIDKQNMQJ-MNOVXSKESA-N 0 3 292.339 1.216 20 5 CDBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000330848266 203308941 /nfs/dbraw/zinc/30/89/41/203308941.db2.gz KWBQQXSTHPWWPT-VIFPVBQESA-N 0 3 252.318 1.997 20 5 CDBDHN Cc1cc(N2C[C@H]3CCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC000520506542 373112775 /nfs/dbraw/zinc/11/27/75/373112775.db2.gz IJVIVAHGIIODCU-PWSUYJOCSA-N 0 3 262.313 1.439 20 5 CDBDHN O=C(C[C@H]1CSCCN1)Nc1cccc([N+](=O)[O-])c1 ZINC000091134262 373747294 /nfs/dbraw/zinc/74/72/94/373747294.db2.gz UBFLYAQTMAIGQN-JTQLQIEISA-N 0 3 281.337 1.628 20 5 CDBDHN Cc1cc(NC(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000298708529 373805942 /nfs/dbraw/zinc/80/59/42/373805942.db2.gz JONCPSUICBXAGE-JTQLQIEISA-N 0 3 280.328 1.975 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091672895 374098688 /nfs/dbraw/zinc/09/86/88/374098688.db2.gz PYASEPOENMUAGQ-KGLIPLIRSA-N 0 3 277.324 1.870 20 5 CDBDHN Cc1c(CN[C@H](CO)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447920941 374722121 /nfs/dbraw/zinc/72/21/21/374722121.db2.gz YQEQATHKKNNJQC-OCCSQVGLSA-N 0 3 280.324 1.533 20 5 CDBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331017761 374879143 /nfs/dbraw/zinc/87/91/43/374879143.db2.gz MMUYLKVKYJDUCV-SNVBAGLBSA-N 0 3 280.328 1.479 20 5 CDBDHN COC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282485121 375088522 /nfs/dbraw/zinc/08/85/22/375088522.db2.gz PFTWYIMCBDNWSA-UHFFFAOYSA-N 0 3 266.297 1.632 20 5 CDBDHN CCOCCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293896205 375410440 /nfs/dbraw/zinc/41/04/40/375410440.db2.gz WFBKBHKPMZFQNV-VIFPVBQESA-N 0 3 253.302 1.864 20 5 CDBDHN CCC[C@@](C)(N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353252997 375591106 /nfs/dbraw/zinc/59/11/06/375591106.db2.gz OZKOUJJZNDDBGS-OAHLLOKOSA-N 0 3 291.351 1.997 20 5 CDBDHN CCC[C@](C)(N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353442475 375609656 /nfs/dbraw/zinc/60/96/56/375609656.db2.gz RQBRLQQWFAIMBX-AWEZNQCLSA-N 0 3 295.339 1.737 20 5 CDBDHN C[C@H](NC[C@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258332 375959382 /nfs/dbraw/zinc/95/93/82/375959382.db2.gz SXUXUVWNEVBUHP-SMDDNHRTSA-N 0 3 279.340 1.312 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCNC(=O)CC1 ZINC000296513628 376323450 /nfs/dbraw/zinc/32/34/50/376323450.db2.gz MGEJZKYLNFXUNO-LBPRGKRZSA-N 0 3 291.351 1.943 20 5 CDBDHN C[C@@H]1NCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262824977 190063594 /nfs/dbraw/zinc/06/35/94/190063594.db2.gz TVRZWTRFOTXMCS-QWRGUYRKSA-N 0 3 277.324 1.346 20 5 CDBDHN CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000265969488 190219357 /nfs/dbraw/zinc/21/93/57/190219357.db2.gz AWSNWGHNIXQJNO-SNVBAGLBSA-N 0 3 250.302 1.520 20 5 CDBDHN COCCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173469931 378455560 /nfs/dbraw/zinc/45/55/60/378455560.db2.gz ATMXPOUSLHJMMR-GFCCVEGCSA-N 0 3 294.355 1.903 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CO)C1 ZINC000266912599 378665265 /nfs/dbraw/zinc/66/52/65/378665265.db2.gz JKJCRVVBIRGSQK-WDEREUQCSA-N 0 3 250.298 1.970 20 5 CDBDHN Cc1cc(NCCCN2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000266806209 190281534 /nfs/dbraw/zinc/28/15/34/190281534.db2.gz DFZFFWCEXZGKDP-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN CC[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N(C)C ZINC000268843827 190441128 /nfs/dbraw/zinc/44/11/28/190441128.db2.gz NNGKTERTYNQWQR-GFCCVEGCSA-N 0 3 279.340 1.594 20 5 CDBDHN CN(C)C/C=C/C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000492614124 253256690 /nfs/dbraw/zinc/25/66/90/253256690.db2.gz FDOCEIRTJBFLTQ-ONEGZZNKSA-N 0 3 297.742 1.982 20 5 CDBDHN Cc1c(CN[C@](C)(C(N)=O)C(C)C)cccc1[N+](=O)[O-] ZINC000289411240 197334723 /nfs/dbraw/zinc/33/47/23/197334723.db2.gz SZEBYGJEUKCORL-AWEZNQCLSA-N 0 3 279.340 1.893 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCN(C)C1 ZINC000289051092 197221369 /nfs/dbraw/zinc/22/13/69/197221369.db2.gz ZZOYHIWWKIKEEM-JTQLQIEISA-N 0 3 267.333 1.483 20 5 CDBDHN CSCCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000281369560 195214243 /nfs/dbraw/zinc/21/42/43/195214243.db2.gz LQQJTTRTBMFIBP-UHFFFAOYSA-N 0 3 285.369 1.441 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000450935457 390580285 /nfs/dbraw/zinc/58/02/85/390580285.db2.gz GLQIVWCYITZFJT-AWEZNQCLSA-N 0 3 280.324 1.485 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000450978299 390584059 /nfs/dbraw/zinc/58/40/59/390584059.db2.gz YFYVMCRSJDEVSP-CYBMUJFWSA-N 0 3 280.324 1.485 20 5 CDBDHN COC(=O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464722 533428348 /nfs/dbraw/zinc/42/83/48/533428348.db2.gz IEYDUCSZKKNMMR-SNVBAGLBSA-N 0 3 294.311 1.039 20 5 CDBDHN C[C@H]1[C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCN1C ZINC000343480452 391634502 /nfs/dbraw/zinc/63/45/02/391634502.db2.gz RHZVHTGSZSBHMZ-GXSJLCMTSA-N 0 3 292.339 1.588 20 5 CDBDHN CCN1C[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000459459011 392439916 /nfs/dbraw/zinc/43/99/16/392439916.db2.gz HRJVHYQBNIVBJK-RYUDHWBXSA-N 0 3 281.360 1.206 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NC1CC1 ZINC000459550275 392463151 /nfs/dbraw/zinc/46/31/51/392463151.db2.gz HUBPBOHTEFUDSZ-SNVBAGLBSA-N 0 3 277.324 1.394 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000525291966 392925625 /nfs/dbraw/zinc/92/56/25/392925625.db2.gz UZCDQOWVDMMHMH-LBPRGKRZSA-N 0 3 291.351 1.975 20 5 CDBDHN Cc1ccc(CNCC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421349863 392930924 /nfs/dbraw/zinc/93/09/24/392930924.db2.gz JZCBEBIHJRZNSY-UHFFFAOYSA-N 0 3 277.324 1.648 20 5 CDBDHN CN(C)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000096311299 393175721 /nfs/dbraw/zinc/17/57/21/393175721.db2.gz MFLYZFDQQCYDAQ-UHFFFAOYSA-N 0 3 289.133 1.726 20 5 CDBDHN CN1CC[C@@H](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000187651638 140081873 /nfs/dbraw/zinc/08/18/73/140081873.db2.gz QLKQRWMIHGCOTL-SECBINFHSA-N 0 3 289.291 1.143 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000245889178 140279123 /nfs/dbraw/zinc/27/91/23/140279123.db2.gz JJLMCEOMDHUEBG-GHMZBOCLSA-N 0 3 252.318 1.769 20 5 CDBDHN COc1ccc(NC(=O)[C@@H]2C[C@@H](C)CCN2)cc1[N+](=O)[O-] ZINC000127625815 147564061 /nfs/dbraw/zinc/56/40/61/147564061.db2.gz MEPZGCBYQMMPFE-ONGXEEELSA-N 0 3 293.323 1.930 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](N)CC(F)F ZINC000311361626 149211927 /nfs/dbraw/zinc/21/19/27/149211927.db2.gz HOTFSGMXNBNLPK-QMMMGPOBSA-N 0 3 273.239 1.824 20 5 CDBDHN CNC(=O)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000322775229 149263780 /nfs/dbraw/zinc/26/37/80/149263780.db2.gz JIFSWVATOIORJS-SECBINFHSA-N 0 3 251.286 1.209 20 5 CDBDHN COc1cc(CN(C)[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352668688 155342590 /nfs/dbraw/zinc/34/25/90/155342590.db2.gz UIPODEHRWMTIAT-AAEUAGOBSA-N 0 3 280.324 1.949 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344041573 152399934 /nfs/dbraw/zinc/39/99/34/152399934.db2.gz WKQZWWAAEGXKHH-OUCADQQQSA-N 0 3 292.335 1.676 20 5 CDBDHN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346685532 153271826 /nfs/dbraw/zinc/27/18/26/153271826.db2.gz SQAINFHKFWMVHN-GWCFXTLKSA-N 0 3 278.308 1.978 20 5 CDBDHN CN1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020496726 171227071 /nfs/dbraw/zinc/22/70/71/171227071.db2.gz CFLNKUZDYALQLF-VMPITWQZSA-N 0 3 289.335 1.772 20 5 CDBDHN CN(CCOCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285373934 196264977 /nfs/dbraw/zinc/26/49/77/196264977.db2.gz REUUEQGJUHWLNI-UHFFFAOYSA-N 0 3 268.313 1.078 20 5 CDBDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000044537835 175199510 /nfs/dbraw/zinc/19/95/10/175199510.db2.gz JSRHCLZKSLTRKU-VIFPVBQESA-N 0 3 251.290 1.139 20 5 CDBDHN Cc1c(CNCCC(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000044992260 175286324 /nfs/dbraw/zinc/28/63/24/175286324.db2.gz CIGICALWHCAOSN-UHFFFAOYSA-N 0 3 265.313 1.471 20 5 CDBDHN O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000080156599 177615966 /nfs/dbraw/zinc/61/59/66/177615966.db2.gz YCTJCHJFWMIDIY-UHFFFAOYSA-N 0 3 281.287 1.560 20 5 CDBDHN O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1 ZINC000238131022 280199039 /nfs/dbraw/zinc/19/90/39/280199039.db2.gz RLBSBFWRSGRKRM-ZDUSSCGKSA-N 0 3 292.339 1.265 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC2CCS(=O)(=O)CC2)cc1 ZINC000036330979 280364471 /nfs/dbraw/zinc/36/44/71/280364471.db2.gz WUXHQLAUEPQXFG-UHFFFAOYSA-N 0 3 284.337 1.262 20 5 CDBDHN [NH3+]C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089091654 303409132 /nfs/dbraw/zinc/40/91/32/303409132.db2.gz YDSPLTFXCYAVJH-VHSXEESVSA-N 0 3 299.352 1.001 20 5 CDBDHN CC[C@@]1(CO)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000187589682 523739785 /nfs/dbraw/zinc/73/97/85/523739785.db2.gz CHRZCUXAHYTXFZ-CYBMUJFWSA-N 0 3 282.344 1.276 20 5 CDBDHN C[C@H](NC(=O)C(N)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353136522 525129358 /nfs/dbraw/zinc/12/93/58/525129358.db2.gz XNGQSFWCXDGORP-IMTBSYHQSA-N 0 3 291.229 1.662 20 5 CDBDHN C[C@@H](NCCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000148731325 525469513 /nfs/dbraw/zinc/46/95/13/525469513.db2.gz MALDCJZVIPRHOO-SNVBAGLBSA-N 0 3 275.312 1.617 20 5 CDBDHN NC(=O)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000367983299 526904981 /nfs/dbraw/zinc/90/49/81/526904981.db2.gz OKVODQLLPMXIPG-NSHDSACASA-N 0 3 263.297 1.292 20 5 CDBDHN NC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000052943208 527128710 /nfs/dbraw/zinc/12/87/10/527128710.db2.gz IDSAUHUBLWJWOL-UHFFFAOYSA-N 0 3 277.324 1.873 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2CCCCO2)c1 ZINC000749691705 574539385 /nfs/dbraw/zinc/53/93/85/574539385.db2.gz RCIQTXVISPCBOK-UONOGXRCSA-N 0 3 280.324 1.787 20 5 CDBDHN Cc1ccc(CN[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734165383 575161362 /nfs/dbraw/zinc/16/13/62/575161362.db2.gz YBBNGDIVIUKYFV-GFCCVEGCSA-N 0 3 250.298 1.764 20 5 CDBDHN CN1CCC(ONC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000773549760 575823557 /nfs/dbraw/zinc/82/35/57/575823557.db2.gz MUNONWURMOGKNL-UHFFFAOYSA-N 0 3 279.296 1.350 20 5 CDBDHN CC(COC(=O)[C@H](C)NC(=O)c1cccs1)[N+](=O)[O-] ZINC000813114927 617349167 /nfs/dbraw/zinc/34/91/67/617349167.db2.gz XVSZIGVKFKHANM-YUMQZZPRSA-N 0 3 286.309 1.075 20 5 CDBDHN COc1cc([N+](=O)[O-])cnc1NCCN1CCCCC1 ZINC000891837703 617635268 /nfs/dbraw/zinc/63/52/68/617635268.db2.gz RDPPCTNDBGBNNT-UHFFFAOYSA-N 0 3 280.328 1.896 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1 ZINC000856489186 617646646 /nfs/dbraw/zinc/64/66/46/617646646.db2.gz LDBIFFLQXOIGII-NSHDSACASA-N 0 3 271.361 1.278 20 5 CDBDHN CSc1nccnc1C(=O)OCC(C)[N+](=O)[O-] ZINC000893047209 618099366 /nfs/dbraw/zinc/09/93/66/618099366.db2.gz JWSIZPRSAZDGQK-ZCFIWIBFSA-N 0 3 257.271 1.021 20 5 CDBDHN CC(C)(CNCC[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000905077520 626392648 /nfs/dbraw/zinc/39/26/48/626392648.db2.gz ZNIBOHBRKDEZEL-UHFFFAOYSA-N 0 3 266.297 1.559 20 5 CDBDHN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCC[N+](=O)[O-] ZINC000905363832 626783945 /nfs/dbraw/zinc/78/39/45/626783945.db2.gz GUKRPHQJLPFQIZ-JOYOIKCWSA-N 0 3 256.277 1.504 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC/C=C\Cl)cc1 ZINC000905706101 626933972 /nfs/dbraw/zinc/93/39/72/626933972.db2.gz DWSWJDSJQCKWIE-YXRBIWEASA-N 0 3 256.689 1.970 20 5 CDBDHN COc1ccc(C[C@H](C)N[C@@H]2COC(=O)C2)c([N+](=O)[O-])c1 ZINC001170304959 1162330266 /nfs/dbraw/zinc/33/02/66/1162330266.db2.gz IMSGXMKUELPZQB-ONGXEEELSA-N 0 3 294.307 1.440 20 5 CDBDHN COc1nc(C)c(N[C@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569396 1162948557 /nfs/dbraw/zinc/94/85/57/1162948557.db2.gz RTYZLHPBCSHTPJ-BXKDBHETSA-N 0 3 296.327 1.096 20 5 CDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000111614229 1158596990 /nfs/dbraw/zinc/59/69/90/1158596990.db2.gz BHSLWZMERCPWKL-UHFFFAOYSA-N 0 3 280.328 1.270 20 5 CDBDHN C[C@@H](Nc1ccc2nc[nH]c2c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170574815 1162977855 /nfs/dbraw/zinc/97/78/55/1162977855.db2.gz UFZIISWNJYYWBO-KCJUWKMLSA-N 0 3 291.311 1.260 20 5 CDBDHN COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCN(C)C1 ZINC001233979604 1167392319 /nfs/dbraw/zinc/39/23/19/1167392319.db2.gz ABEJQTYCXLFHLV-GFCCVEGCSA-N 0 3 280.324 1.597 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)OC1CNC1)CC2 ZINC001579643073 1172232891 /nfs/dbraw/zinc/23/28/91/1172232891.db2.gz KCEAHNOZMWBRDR-UHFFFAOYSA-N 0 3 277.280 1.374 20 5 CDBDHN CC[N@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001590717118 1173497173 /nfs/dbraw/zinc/49/71/73/1173497173.db2.gz NFYSCUKUFKAOGR-UHFFFAOYSA-N 0 3 288.311 1.759 20 5 CDBDHN CC[N@@H+](Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C1CC1 ZINC001590717118 1173497176 /nfs/dbraw/zinc/49/71/76/1173497176.db2.gz NFYSCUKUFKAOGR-UHFFFAOYSA-N 0 3 288.311 1.759 20 5 CDBDHN Cc1nn(C)cc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000157710466 1178207706 /nfs/dbraw/zinc/20/77/06/1178207706.db2.gz SYTYHOCEVUOBQW-AWEZNQCLSA-N 0 3 290.323 1.460 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CN1CCCC1 ZINC000822756939 728901106 /nfs/dbraw/zinc/90/11/06/728901106.db2.gz KPLYFLYBSKIAGR-UHFFFAOYSA-N 0 3 291.351 1.692 20 5 CDBDHN CC(COC(=O)c1cc2ccccc2c(=O)n1C)[N+](=O)[O-] ZINC000813113695 729185317 /nfs/dbraw/zinc/18/53/17/729185317.db2.gz SUEJKIBYDNJMGG-VIFPVBQESA-N 0 3 290.275 1.361 20 5 CDBDHN CN(CCCF)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000887141227 729685018 /nfs/dbraw/zinc/68/50/18/729685018.db2.gz KHVXKQZAOLEKJJ-GFCCVEGCSA-N 0 3 256.277 1.920 20 5 CDBDHN COc1ccc2c(c1)OC[C@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000813109945 730065887 /nfs/dbraw/zinc/06/58/87/730065887.db2.gz QNHQDQPYUDEVMH-GXSJLCMTSA-N 0 3 295.291 1.455 20 5 CDBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H]1CCN(C)C1 ZINC001167280878 895051893 /nfs/dbraw/zinc/05/18/93/895051893.db2.gz GQWWMIXRJCSVAI-JTQLQIEISA-N 0 3 293.323 1.806 20 5 CDBDHN COc1ccc(CN[C@@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC000699804834 914289684 /nfs/dbraw/zinc/28/96/84/914289684.db2.gz JHBDXMBENOUZIK-GXSJLCMTSA-N 0 3 266.297 1.728 20 5 CDBDHN CCS(=O)(=O)CCNCCc1ccccc1[N+](=O)[O-] ZINC000233821047 915049424 /nfs/dbraw/zinc/04/94/24/915049424.db2.gz NGGAKTZDOMMVHF-UHFFFAOYSA-N 0 3 286.353 1.162 20 5 CDBDHN COC(=O)[C@H](C)CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579242 927754316 /nfs/dbraw/zinc/75/43/16/927754316.db2.gz KGBNIQBQIZFRTI-MFKMUULPSA-N 0 3 296.323 1.369 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000782632414 937257328 /nfs/dbraw/zinc/25/73/28/937257328.db2.gz KIFYXDSBALHJSK-GXTWGEPZSA-N 0 3 262.309 1.452 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)C[C@H]1CCCO1 ZINC000886229075 930832229 /nfs/dbraw/zinc/83/22/29/930832229.db2.gz KUSFWESHZZESKQ-CHWSQXEVSA-N 0 3 280.324 1.614 20 5 CDBDHN COc1cc(N[C@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC001156580846 938388694 /nfs/dbraw/zinc/38/86/94/938388694.db2.gz WROPXWHYUAZBEP-QMMMGPOBSA-N 0 3 252.274 1.114 20 5 CDBDHN C[C@H](N)c1ccn(-c2cc([N+](=O)[O-])cc(Cl)n2)n1 ZINC001158344892 938611179 /nfs/dbraw/zinc/61/11/79/938611179.db2.gz JAAZQVHRTBGOMV-LURJTMIESA-N 0 3 267.676 1.849 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCCC[C@@]23CNCCO3)nc1 ZINC001163643929 939297279 /nfs/dbraw/zinc/29/72/79/939297279.db2.gz NSGUKSZGPSVYCP-WCQYABFASA-N 0 3 293.327 1.098 20 5 CDBDHN C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664676 941896356 /nfs/dbraw/zinc/89/63/56/941896356.db2.gz RFJMHXGPAWCTCS-DDFAGTSDSA-N 0 3 293.323 1.805 20 5 CDBDHN C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664676 941896360 /nfs/dbraw/zinc/89/63/60/941896360.db2.gz RFJMHXGPAWCTCS-DDFAGTSDSA-N 0 3 293.323 1.805 20 5 CDBDHN CC(=O)N/C(=C\c1cccs1)C(=O)OCC(C)[N+](=O)[O-] ZINC001525760336 970983986 /nfs/dbraw/zinc/98/39/86/970983986.db2.gz YWXOSJGPNWFROM-OITNDJBGSA-N 0 3 298.320 1.434 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(=O)N(C)CC1 ZINC001254561654 947524427 /nfs/dbraw/zinc/52/44/27/947524427.db2.gz HSTRQYLQPBPAOT-LBPRGKRZSA-N 0 3 291.351 1.690 20 5 CDBDHN CO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001307780095 956441012 /nfs/dbraw/zinc/44/10/12/956441012.db2.gz DNWFKRJTLQZSGM-JQWIXIFHSA-N 0 3 268.317 1.148 20 5 CDBDHN CC(C)(C)N1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC001337565339 961275697 /nfs/dbraw/zinc/27/56/97/961275697.db2.gz WCJSHOWNOJZLAD-UHFFFAOYSA-N 0 3 267.333 1.165 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601006260 342458597 /nfs/dbraw/zinc/45/85/97/342458597.db2.gz SVSSGNGOKRKDFI-VIFPVBQESA-N 0 3 281.287 1.415 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](O)C1 ZINC000074313774 361783285 /nfs/dbraw/zinc/78/32/85/361783285.db2.gz MJCHZGUWHNMGEX-LBPRGKRZSA-N 0 3 293.323 1.298 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330567008 365610076 /nfs/dbraw/zinc/61/00/76/365610076.db2.gz BAPGQVPUUVQNPN-OLZOCXBDSA-N 0 3 293.367 1.998 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1NCC1(C)C ZINC000591672880 342641415 /nfs/dbraw/zinc/64/14/15/342641415.db2.gz QDTJTGKVQGJWFA-GFCCVEGCSA-N 0 3 293.323 1.218 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201682 342879865 /nfs/dbraw/zinc/87/98/65/342879865.db2.gz PGFQPJJAORTTFO-GHMZBOCLSA-N 0 3 293.323 1.935 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419791 342903182 /nfs/dbraw/zinc/90/31/82/342903182.db2.gz RLQRULLASIAIHI-MNOVXSKESA-N 0 3 293.327 1.065 20 5 CDBDHN CC[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594521549 342917438 /nfs/dbraw/zinc/91/74/38/342917438.db2.gz SQSORFZMLREGPP-SKDRFNHKSA-N 0 3 250.298 1.943 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CNC(=O)C1 ZINC000595043786 342998540 /nfs/dbraw/zinc/99/85/40/342998540.db2.gz AFAASPPPNYSJCO-VHSXEESVSA-N 0 3 293.323 1.390 20 5 CDBDHN CCN(CC)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000075135273 342309148 /nfs/dbraw/zinc/30/91/48/342309148.db2.gz QEBNEJLBLFQNNC-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN O=C1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744315 343150333 /nfs/dbraw/zinc/15/03/33/343150333.db2.gz VTZTVUGCJBMUKO-OCCSQVGLSA-N 0 3 289.335 1.695 20 5 CDBDHN COC[C@](C)(O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000069911792 342347135 /nfs/dbraw/zinc/34/71/35/342347135.db2.gz LZFLKGKKFBGSDF-CYBMUJFWSA-N 0 3 268.313 1.390 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H]3C[C@H]3C2)c1 ZINC000595805992 343158776 /nfs/dbraw/zinc/15/87/76/343158776.db2.gz CQIXFAYQVMQUKG-SGMGOOAPSA-N 0 3 292.335 1.676 20 5 CDBDHN CC[C@H](NC)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000595924304 343192960 /nfs/dbraw/zinc/19/29/60/343192960.db2.gz KQGOZNDIKXFGNF-JTQLQIEISA-N 0 3 251.286 1.840 20 5 CDBDHN COCC[N@H+](C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596075131 343226209 /nfs/dbraw/zinc/22/62/09/343226209.db2.gz XIYRGPZSVZRNKP-UHFFFAOYSA-N 0 3 284.316 1.076 20 5 CDBDHN COCC[N@@H+](C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596075131 343226211 /nfs/dbraw/zinc/22/62/11/343226211.db2.gz XIYRGPZSVZRNKP-UHFFFAOYSA-N 0 3 284.316 1.076 20 5 CDBDHN O=c1[nH]ccc(N2CC[C@@H](N3CC=CC3)C2)c1[N+](=O)[O-] ZINC000596142607 343242043 /nfs/dbraw/zinc/24/20/43/343242043.db2.gz UBBDFMXRURSNRZ-SNVBAGLBSA-N 0 3 276.296 1.146 20 5 CDBDHN C[N@@H+]1CCC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000596170205 343258490 /nfs/dbraw/zinc/25/84/90/343258490.db2.gz XYTXTHKKQFDEOK-MNOVXSKESA-N 0 3 292.339 1.616 20 5 CDBDHN C[N@H+]1CCC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000596170205 343258493 /nfs/dbraw/zinc/25/84/93/343258493.db2.gz XYTXTHKKQFDEOK-MNOVXSKESA-N 0 3 292.339 1.616 20 5 CDBDHN CN(C[C@H]1CCC[N@@H+]1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596277502 343296086 /nfs/dbraw/zinc/29/60/86/343296086.db2.gz GVKURAHPZYSUTA-SECBINFHSA-N 0 3 266.301 1.226 20 5 CDBDHN CN(C[C@H]1CCC[N@H+]1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596277502 343296087 /nfs/dbraw/zinc/29/60/87/343296087.db2.gz GVKURAHPZYSUTA-SECBINFHSA-N 0 3 266.301 1.226 20 5 CDBDHN C[C@@H](NCC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090606698 342396748 /nfs/dbraw/zinc/39/67/48/342396748.db2.gz ZKSUKDNVQJGRED-SNVBAGLBSA-N 0 3 266.297 1.254 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000619567052 349805330 /nfs/dbraw/zinc/80/53/30/349805330.db2.gz LHKYMSDWPDNMNI-SNVBAGLBSA-N 0 3 295.343 1.183 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000619567052 349805335 /nfs/dbraw/zinc/80/53/35/349805335.db2.gz LHKYMSDWPDNMNI-SNVBAGLBSA-N 0 3 295.343 1.183 20 5 CDBDHN COC(=O)[C@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000597218681 343483442 /nfs/dbraw/zinc/48/34/42/343483442.db2.gz RUYXYEFZQUMPTI-PHIMTYICSA-N 0 3 264.281 1.636 20 5 CDBDHN Cn1cc(CN2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000602473581 344432630 /nfs/dbraw/zinc/43/26/30/344432630.db2.gz UYJSWDWAXHUFCB-UWVGGRQHSA-N 0 3 250.302 1.560 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)C(C)(C)C1 ZINC000602825187 344611567 /nfs/dbraw/zinc/61/15/67/344611567.db2.gz JYIVXBYJELIBRC-UHFFFAOYSA-N 0 3 281.360 1.126 20 5 CDBDHN CC[C@H](C)N1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602841565 344621951 /nfs/dbraw/zinc/62/19/51/344621951.db2.gz UDJBHSUFQCDYQK-LBPRGKRZSA-N 0 3 295.387 1.516 20 5 CDBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000129320866 362647609 /nfs/dbraw/zinc/64/76/09/362647609.db2.gz LCYAPIWBBHCGMJ-NEPJUHHUSA-N 0 3 250.298 1.844 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@H]3CCCOC3)C2)nc1 ZINC000610569960 346314865 /nfs/dbraw/zinc/31/48/65/346314865.db2.gz IEHFYRVOMDQWPT-AAEUAGOBSA-N 0 3 292.339 1.655 20 5 CDBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611221650 346695722 /nfs/dbraw/zinc/69/57/22/346695722.db2.gz DSLKLALCLWDTBI-MNOVXSKESA-N 0 3 264.329 1.909 20 5 CDBDHN O=[N+]([O-])c1cccnc1N1CCN(c2ccncc2)CC1 ZINC000026758339 348660697 /nfs/dbraw/zinc/66/06/97/348660697.db2.gz SRAHISCBCSEBRM-UHFFFAOYSA-N 0 3 285.307 1.711 20 5 CDBDHN Cc1c(NC(=O)C[C@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000091300091 180126785 /nfs/dbraw/zinc/12/67/85/180126785.db2.gz YZHDFQWRKHXXFL-JTQLQIEISA-N 0 3 279.296 1.220 20 5 CDBDHN CC(C)[C@@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000312159039 350754512 /nfs/dbraw/zinc/75/45/12/350754512.db2.gz HWDRBXMSOKEPLV-CYBMUJFWSA-N 0 3 275.312 1.890 20 5 CDBDHN CCCN(CCN(C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000123774992 366041469 /nfs/dbraw/zinc/04/14/69/366041469.db2.gz UAZUVSIBPKUCJL-UHFFFAOYSA-N 0 3 293.367 1.938 20 5 CDBDHN Cc1c(CNC(=O)[C@H](N)C(C)C)cccc1[N+](=O)[O-] ZINC000231856206 140219736 /nfs/dbraw/zinc/21/97/36/140219736.db2.gz DQTUMNQXQTWIDW-GFCCVEGCSA-N 0 3 265.313 1.503 20 5 CDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000153987138 188116443 /nfs/dbraw/zinc/11/64/43/188116443.db2.gz MKXXAIFHWLHNAS-CQSZACIVSA-N 0 3 291.351 1.690 20 5 CDBDHN NC(=O)[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000157095330 188296701 /nfs/dbraw/zinc/29/67/01/188296701.db2.gz ZJUAJZMGLHMWRK-PYEVWLCESA-N 0 3 275.308 1.415 20 5 CDBDHN C[C@@H]1C[C@H](O)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000401688937 356426949 /nfs/dbraw/zinc/42/69/49/356426949.db2.gz DPQUOFJANPNXCJ-RISCZKNCSA-N 0 3 264.325 1.840 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H]3OCCC[C@H]3C2)n1 ZINC000246960796 356555251 /nfs/dbraw/zinc/55/52/51/356555251.db2.gz XLQADRPXJKQTQO-NWDGAFQWSA-N 0 3 280.328 1.292 20 5 CDBDHN COc1cccc(N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000134929134 356661112 /nfs/dbraw/zinc/66/11/12/356661112.db2.gz KNKSFDUKTKCONU-VIFPVBQESA-N 0 3 253.302 1.965 20 5 CDBDHN CC[C@](C)(O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284066712 357637634 /nfs/dbraw/zinc/63/76/34/357637634.db2.gz LAOBOWQQXGTZRF-ZANVPECISA-N 0 3 267.329 1.989 20 5 CDBDHN CN(C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190324337 358067419 /nfs/dbraw/zinc/06/74/19/358067419.db2.gz XQOVKQWERRVXNV-MRVPVSSYSA-N 0 3 256.331 1.582 20 5 CDBDHN COc1cc(C[NH2+]CC[C@H](C)CCO)c([N+](=O)[O-])cc1[O-] ZINC000294671086 199127552 /nfs/dbraw/zinc/12/75/52/199127552.db2.gz ANYKTVVOENGMGD-JTQLQIEISA-N 0 3 298.339 1.807 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000193700299 358317565 /nfs/dbraw/zinc/31/75/65/358317565.db2.gz JWEWPGKSIVWPNH-OZAOCKQISA-N 0 3 289.335 1.722 20 5 CDBDHN Cc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000287345721 358448058 /nfs/dbraw/zinc/44/80/58/358448058.db2.gz ZDJDDFMVZXDNFX-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408228224 358450546 /nfs/dbraw/zinc/45/05/46/358450546.db2.gz WKYMWYHPDWTEKD-BXKDBHETSA-N 0 3 280.328 1.335 20 5 CDBDHN Cc1nc(N[C@H]2C[C@@H](C)N(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553304 200226513 /nfs/dbraw/zinc/22/65/13/200226513.db2.gz QYPNUBDNSVYRQF-SCZZXKLOSA-N 0 3 277.328 1.730 20 5 CDBDHN Cc1c(CN2C[C@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000340906262 363666743 /nfs/dbraw/zinc/66/67/43/363666743.db2.gz ATWWYIPGBKZWSV-JOYOIKCWSA-N 0 3 250.298 1.858 20 5 CDBDHN C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N(C)C ZINC000298383406 200413035 /nfs/dbraw/zinc/41/30/35/200413035.db2.gz ZQAPMWFZRWQTCD-SNVBAGLBSA-N 0 3 281.312 1.040 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000177129715 189030968 /nfs/dbraw/zinc/03/09/68/189030968.db2.gz QIGDRIZSVOSRCW-PWSUYJOCSA-N 0 3 289.335 1.950 20 5 CDBDHN CN(C)CCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000176388064 360266676 /nfs/dbraw/zinc/26/66/76/360266676.db2.gz QJTIGFYDKOGBPM-UHFFFAOYSA-N 0 3 265.313 1.157 20 5 CDBDHN COC[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000227690384 360289569 /nfs/dbraw/zinc/28/95/69/360289569.db2.gz VDONHHAPARNWNJ-ZWNOBZJWSA-N 0 3 268.313 1.907 20 5 CDBDHN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000136048927 360675671 /nfs/dbraw/zinc/67/56/71/360675671.db2.gz IJDDNTZBVCXJJE-QWRGUYRKSA-N 0 3 277.324 1.346 20 5 CDBDHN CN(C)[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000575327514 364004905 /nfs/dbraw/zinc/00/49/05/364004905.db2.gz XWYBQCHJVWXXMC-STQMWFEESA-N 0 3 299.758 1.355 20 5 CDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249558859 364874595 /nfs/dbraw/zinc/87/45/95/364874595.db2.gz KXYDZGSUYFLPRT-WCQYABFASA-N 0 3 280.324 1.676 20 5 CDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C)c1 ZINC000053366467 364988456 /nfs/dbraw/zinc/98/84/56/364988456.db2.gz GVDKUGOXYJNESB-UHFFFAOYSA-N 0 3 283.353 1.608 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)nc1 ZINC000110490045 365051292 /nfs/dbraw/zinc/05/12/92/365051292.db2.gz FNFYPADALJCYQX-NEPJUHHUSA-N 0 3 278.312 1.265 20 5 CDBDHN CC[C@@H]1CCCCN1CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548419863 366904868 /nfs/dbraw/zinc/90/48/68/366904868.db2.gz UOGNUUSMKIPOFF-SNVBAGLBSA-N 0 3 295.343 1.312 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669496 369786258 /nfs/dbraw/zinc/78/62/58/369786258.db2.gz JCEHBKQSLCFWFX-LLVKDONJSA-N 0 3 295.314 1.948 20 5 CDBDHN COC(=O)c1cc(NC(=O)C2(N)CCC2)cc([N+](=O)[O-])c1 ZINC000295544445 370470428 /nfs/dbraw/zinc/47/04/28/370470428.db2.gz XRKWGGAFSDNLFN-UHFFFAOYSA-N 0 3 293.279 1.201 20 5 CDBDHN CC[C@@H](CO)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000295705913 370581508 /nfs/dbraw/zinc/58/15/08/370581508.db2.gz MVQCYJPROYGTKU-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN CN(CCNc1ccc([N+](=O)[O-])c2nonc21)C1CC1 ZINC000059035212 373043189 /nfs/dbraw/zinc/04/31/89/373043189.db2.gz FCMIYIIOCBDXAI-UHFFFAOYSA-N 0 3 277.284 1.637 20 5 CDBDHN C[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)N1CCC[C@@H](C)C1 ZINC000298725371 374082699 /nfs/dbraw/zinc/08/26/99/374082699.db2.gz MMYDMEZHHSLMSL-NXEZZACHSA-N 0 3 294.359 1.499 20 5 CDBDHN CNC(=O)CCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000065684167 374280713 /nfs/dbraw/zinc/28/07/13/374280713.db2.gz OKQAPQTYMIZDRS-UHFFFAOYSA-N 0 3 251.286 1.163 20 5 CDBDHN C[C@@H]1NCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000277453141 374788115 /nfs/dbraw/zinc/78/81/15/374788115.db2.gz GQQSXECXAXXLLY-LHXDFBSTSA-N 0 3 289.335 1.817 20 5 CDBDHN CS[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000282222478 375073653 /nfs/dbraw/zinc/07/36/53/375073653.db2.gz ODVJLHJWWWGNGX-STQMWFEESA-N 0 3 296.396 1.659 20 5 CDBDHN C[C@@H]1[C@H](C)N(C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000357075148 375881997 /nfs/dbraw/zinc/88/19/97/375881997.db2.gz VIXIHUIUWQKDOO-QWHCGFSZSA-N 0 3 293.367 1.998 20 5 CDBDHN COc1cc(OC[C@H](O)CN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000357455260 375910898 /nfs/dbraw/zinc/91/08/98/375910898.db2.gz PWQSTUJDEZIVAK-LLVKDONJSA-N 0 3 296.323 1.437 20 5 CDBDHN CCC[C@](C)(N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000262327286 190053016 /nfs/dbraw/zinc/05/30/16/190053016.db2.gz UKVDRFDLUXLUAK-AWEZNQCLSA-N 0 3 294.355 1.640 20 5 CDBDHN Cc1nc(NCCN2CCCCC2)ncc1[N+](=O)[O-] ZINC000296561015 376386288 /nfs/dbraw/zinc/38/62/88/376386288.db2.gz PMSXGAUCBLEBGO-UHFFFAOYSA-N 0 3 265.317 1.591 20 5 CDBDHN C[C@H]1NCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000262749835 190062156 /nfs/dbraw/zinc/06/21/56/190062156.db2.gz GKHFSSJAIAOTGH-GHMZBOCLSA-N 0 3 293.323 1.182 20 5 CDBDHN CN(CCCN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000264605524 190122225 /nfs/dbraw/zinc/12/22/25/190122225.db2.gz CVTHZGYKLDXQQW-UHFFFAOYSA-N 0 3 292.383 1.669 20 5 CDBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264767331 190133642 /nfs/dbraw/zinc/13/36/42/190133642.db2.gz NQXHGBMGKJSEDS-SNVBAGLBSA-N 0 3 280.328 1.527 20 5 CDBDHN CN1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266042232 190225989 /nfs/dbraw/zinc/22/59/89/190225989.db2.gz PVRWPBPJCPEMSE-UHFFFAOYSA-N 0 3 277.324 1.301 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000266111426 190231329 /nfs/dbraw/zinc/23/13/29/190231329.db2.gz UGIBTPFYOMHTRT-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN CN(C)[C@@]1(CNc2ncccc2[N+](=O)[O-])CCSC1 ZINC000267146599 190306643 /nfs/dbraw/zinc/30/66/43/190306643.db2.gz ZAYVFYSHRBBZLR-GFCCVEGCSA-N 0 3 282.369 1.839 20 5 CDBDHN CC[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449770636 251009287 /nfs/dbraw/zinc/00/92/87/251009287.db2.gz GBRTXEUUDYNBDC-WMADIVHISA-N 0 3 277.324 1.722 20 5 CDBDHN C[C@H](NC[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453405854 252313242 /nfs/dbraw/zinc/31/32/42/252313242.db2.gz QPPJBKNLGSAHDS-IINYFYTJSA-N 0 3 277.324 1.914 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NC1CC1 ZINC000459550274 392462860 /nfs/dbraw/zinc/46/28/60/392462860.db2.gz HUBPBOHTEFUDSZ-JTQLQIEISA-N 0 3 277.324 1.394 20 5 CDBDHN COCC1(NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000532213252 393069016 /nfs/dbraw/zinc/06/90/16/393069016.db2.gz VHCNUYDPFLLZNH-UHFFFAOYSA-N 0 3 266.297 1.872 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](C)C1 ZINC000343082024 152024868 /nfs/dbraw/zinc/02/48/68/152024868.db2.gz WBZLLASSTRUARF-WDEREUQCSA-N 0 3 294.355 1.773 20 5 CDBDHN COc1ccc(CN(C)[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000352679391 155357988 /nfs/dbraw/zinc/35/79/88/155357988.db2.gz ZRPWMUOOLUCUKQ-WCQYABFASA-N 0 3 280.324 1.949 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346149699 153072164 /nfs/dbraw/zinc/07/21/64/153072164.db2.gz YAMVINXWDVTHJT-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN C[C@@H](CO)N1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000346673669 153266922 /nfs/dbraw/zinc/26/69/22/153266922.db2.gz VMGZFRCWFUMILA-NSHDSACASA-N 0 3 299.396 1.545 20 5 CDBDHN Cc1ccc(NC(=O)CCOC2CNC2)cc1[N+](=O)[O-] ZINC000349063694 154042277 /nfs/dbraw/zinc/04/22/77/154042277.db2.gz ZJWIJTJCFPQPRJ-UHFFFAOYSA-N 0 3 279.296 1.220 20 5 CDBDHN CCN1CCC(N(C)c2c([N+](=O)[O-])ncn2C)CC1 ZINC000354037266 156236073 /nfs/dbraw/zinc/23/60/73/156236073.db2.gz CPIUVIGNZDYJBN-UHFFFAOYSA-N 0 3 267.333 1.249 20 5 CDBDHN CO[C@H](C)CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704350 196373178 /nfs/dbraw/zinc/37/31/78/196373178.db2.gz ONGLHRQNXURQHK-ZWNOBZJWSA-N 0 3 268.313 1.595 20 5 CDBDHN CC(C)NC(=O)NCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000517365406 260155358 /nfs/dbraw/zinc/15/53/58/260155358.db2.gz BNYNUIPFLJCNOY-LLVKDONJSA-N 0 3 294.355 1.953 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)C1 ZINC000524285555 260344244 /nfs/dbraw/zinc/34/42/44/260344244.db2.gz ARZIZSNCFKMEQQ-SNVBAGLBSA-N 0 3 265.317 1.003 20 5 CDBDHN CCN(CCO)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000184542342 270253204 /nfs/dbraw/zinc/25/32/04/270253204.db2.gz GDFMCMPOYDXWPG-UHFFFAOYSA-N 0 3 297.355 1.007 20 5 CDBDHN C[C@@H](NC(=O)[C@H](N)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000399016700 270366224 /nfs/dbraw/zinc/36/62/24/270366224.db2.gz GFRZPZPMIIVNRR-NOZJJQNGSA-N 0 3 277.324 1.899 20 5 CDBDHN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CCN1 ZINC000052783456 274368917 /nfs/dbraw/zinc/36/89/17/274368917.db2.gz DIMKZPNDAKKTCE-SSDOTTSWSA-N 0 3 267.314 1.102 20 5 CDBDHN C[C@@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000119861606 279373100 /nfs/dbraw/zinc/37/31/00/279373100.db2.gz GOENIQKUSWSISQ-MRVPVSSYSA-N 0 3 251.286 1.293 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000212555678 280087028 /nfs/dbraw/zinc/08/70/28/280087028.db2.gz NCFJHICIVGXZDX-MCTUQULKSA-N 0 3 289.335 1.817 20 5 CDBDHN Cc1nc(N2C[C@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000250954286 281945817 /nfs/dbraw/zinc/94/58/17/281945817.db2.gz QQOVLSYCCKAFNN-DTWKUNHWSA-N 0 3 250.302 1.485 20 5 CDBDHN CC(C)Oc1nc(N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000568782721 294102899 /nfs/dbraw/zinc/10/28/99/294102899.db2.gz YNMDMVNNDFFBFJ-UHFFFAOYSA-N 0 3 294.355 1.919 20 5 CDBDHN C[C@@H](C(=O)N(C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000569171041 294169518 /nfs/dbraw/zinc/16/95/18/294169518.db2.gz NANJYZHGFHZSSU-LLVKDONJSA-N 0 3 279.340 1.718 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000408364156 303020225 /nfs/dbraw/zinc/02/02/25/303020225.db2.gz HTFFTRCNDBBWPO-GHMZBOCLSA-N 0 3 279.344 1.249 20 5 CDBDHN [NH3+]C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089091655 303407284 /nfs/dbraw/zinc/40/72/84/303407284.db2.gz YDSPLTFXCYAVJH-UWVGGRQHSA-N 0 3 299.352 1.001 20 5 CDBDHN CC/C=C/CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563529889 316325176 /nfs/dbraw/zinc/32/51/76/316325176.db2.gz KCSSHNPSZLCBJK-ITDFMYJTSA-N 0 3 280.324 1.890 20 5 CDBDHN C[C@H](NC1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000577488519 317338992 /nfs/dbraw/zinc/33/89/92/317338992.db2.gz BFOMGWHLOIPTSW-JTQLQIEISA-N 0 3 293.323 1.230 20 5 CDBDHN C[C@@H](N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295211006 534285518 /nfs/dbraw/zinc/28/55/18/534285518.db2.gz UQWBUFKBMFAJNQ-ZWNOBZJWSA-N 0 3 282.340 1.719 20 5 CDBDHN CC(=O)N1CC[C@@H](CN(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000156671605 519613249 /nfs/dbraw/zinc/61/32/49/519613249.db2.gz KOSGUEXSWPAOFT-ZDUSSCGKSA-N 0 3 291.351 1.895 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000155448749 521946198 /nfs/dbraw/zinc/94/61/98/521946198.db2.gz RXUVXBGLXIZDDD-HZMBPMFUSA-N 0 3 291.351 1.853 20 5 CDBDHN COCCNCCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000227861068 523938460 /nfs/dbraw/zinc/93/84/60/523938460.db2.gz BGHRLGPAGPSMKE-UHFFFAOYSA-N 0 3 287.291 1.390 20 5 CDBDHN COc1ccc(CN[C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000049076298 524089176 /nfs/dbraw/zinc/08/91/76/524089176.db2.gz ZLPWAWVMSILRJD-LLVKDONJSA-N 0 3 290.323 1.978 20 5 CDBDHN C[C@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000247077042 525773292 /nfs/dbraw/zinc/77/32/92/525773292.db2.gz GUWJGRATUCMPAO-OLZOCXBDSA-N 0 3 293.367 1.482 20 5 CDBDHN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CNCCO3)ccc2c1 ZINC000157397745 527381770 /nfs/dbraw/zinc/38/17/70/527381770.db2.gz LKDYDXLLSUMOST-LBPRGKRZSA-N 0 3 288.307 1.543 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC2(CO)CCOCC2)c1 ZINC000069248283 527386548 /nfs/dbraw/zinc/38/65/48/527386548.db2.gz QZIMJKPOLUWFKV-UHFFFAOYSA-N 0 3 266.297 1.226 20 5 CDBDHN CN1CCC(Nc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000424056837 536345705 /nfs/dbraw/zinc/34/57/05/536345705.db2.gz ILBCTJWWZGMFBR-UHFFFAOYSA-N 0 3 268.292 1.822 20 5 CDBDHN CC(C)(COC(=O)C1CCN(C2CC2)CC1)[N+](=O)[O-] ZINC000851129711 617576239 /nfs/dbraw/zinc/57/62/39/617576239.db2.gz PANABULQNKKVBR-UHFFFAOYSA-N 0 3 270.329 1.459 20 5 CDBDHN CC(COC(=O)C1C[C@H]2CC[C@@H](C1)S2)[N+](=O)[O-] ZINC000893046646 618097538 /nfs/dbraw/zinc/09/75/38/618097538.db2.gz DWWDHTZKLDZNDS-BFARCFIYSA-N 0 3 259.327 1.869 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCCN2CCCC[C@@H]12 ZINC000894435989 618886009 /nfs/dbraw/zinc/88/60/09/618886009.db2.gz GMMAUDNJCSXNDG-QWRGUYRKSA-N 0 3 279.344 1.757 20 5 CDBDHN COc1c(O)ccc(CN[C@H](C)[C@H](C)OC)c1[N+](=O)[O-] ZINC000894551909 618960726 /nfs/dbraw/zinc/96/07/26/618960726.db2.gz BBVUHASBQPGFLC-BDAKNGLRSA-N 0 3 284.312 1.822 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC/C=C\Cl ZINC000905708481 626935117 /nfs/dbraw/zinc/93/51/17/626935117.db2.gz PGCDCGXKCGEWIG-NWPZZWLHSA-N 0 3 286.715 1.677 20 5 CDBDHN COc1ccc(C[C@@H](C)N2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336565 1162339405 /nfs/dbraw/zinc/33/94/05/1162339405.db2.gz ZKNSPPVXKZEQEO-RWSFTLGLSA-N 0 3 294.351 1.847 20 5 CDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000401318838 1184134403 /nfs/dbraw/zinc/13/44/03/1184134403.db2.gz FMEITBIUZLBWAG-XHNCKOQMSA-N 0 3 267.285 1.399 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000401230691 1186408225 /nfs/dbraw/zinc/40/82/25/1186408225.db2.gz MZIPRHIRJHKTAX-VGMNWLOBSA-N 0 3 283.353 1.867 20 5 CDBDHN Cc1cc2c[nH]nc2c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813100447 1163805282 /nfs/dbraw/zinc/80/52/82/1163805282.db2.gz SLJDXLHLSPWECG-MRVPVSSYSA-N 0 3 263.253 1.693 20 5 CDBDHN COc1cc(NCCN(C)CCO)c(F)cc1[N+](=O)[O-] ZINC000884825133 730565276 /nfs/dbraw/zinc/56/52/76/730565276.db2.gz GZRZDSOVVBWTCU-UHFFFAOYSA-N 0 3 287.291 1.079 20 5 CDBDHN C[C@@H](N)c1cn(Cc2cc(F)ccc2[N+](=O)[O-])nn1 ZINC000124279753 731972082 /nfs/dbraw/zinc/97/20/82/731972082.db2.gz NXKSPQHQIGKKEM-SSDOTTSWSA-N 0 3 265.248 1.393 20 5 CDBDHN COCC[C@@H](N)C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000884331128 732062565 /nfs/dbraw/zinc/06/25/65/732062565.db2.gz GLAZPJCJXUXVMN-LLVKDONJSA-N 0 3 293.323 1.156 20 5 CDBDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCC[N+](=O)[O-] ZINC000791053172 732130325 /nfs/dbraw/zinc/13/03/25/732130325.db2.gz BIEGSNVIXXRUHM-CYBMUJFWSA-N 0 3 289.376 1.792 20 5 CDBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000884825992 732452751 /nfs/dbraw/zinc/45/27/51/732452751.db2.gz BGRHZCKHLCSFRO-UHFFFAOYSA-N 0 3 289.282 1.868 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCO[C@@H]2CCOC2)cc1 ZINC000725000303 732567403 /nfs/dbraw/zinc/56/74/03/732567403.db2.gz WSXRYTLKHKEDFZ-CYBMUJFWSA-N 0 3 266.297 1.490 20 5 CDBDHN Cn1c(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)ccc1[N+](=O)[O-] ZINC000923310730 732708018 /nfs/dbraw/zinc/70/80/18/732708018.db2.gz XSXCEBWSMNMNGR-WDEREUQCSA-N 0 3 292.339 1.242 20 5 CDBDHN CC[C@H]1CN(C)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823195478 732805388 /nfs/dbraw/zinc/80/53/88/732805388.db2.gz ZDMSICVBPVAVSP-ZFWWWQNUSA-N 0 3 293.367 1.654 20 5 CDBDHN Cc1cc(Cl)nc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC001344999705 964527515 /nfs/dbraw/zinc/52/75/15/964527515.db2.gz ZTWYZENFPYKLDZ-SSDOTTSWSA-N 0 3 258.661 1.865 20 5 CDBDHN COc1c(F)cc(N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001167278585 895022259 /nfs/dbraw/zinc/02/22/59/895022259.db2.gz NHWSWMFEFAONAE-QMMMGPOBSA-N 0 3 269.276 1.859 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC001117687901 921980306 /nfs/dbraw/zinc/98/03/06/921980306.db2.gz RALZWTKTEKMYDT-GHMZBOCLSA-N 0 3 276.340 1.757 20 5 CDBDHN CC(COC(=O)[C@H]1CCc2ccccc2O1)[N+](=O)[O-] ZINC000842363552 937046987 /nfs/dbraw/zinc/04/69/87/937046987.db2.gz KUPDBHKALZLNQE-BXKDBHETSA-N 0 3 265.265 1.589 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ccn(CCF)n2)C1 ZINC001168995830 927602998 /nfs/dbraw/zinc/60/29/98/927602998.db2.gz TYQZGFLUMJKLSS-QWRGUYRKSA-N 0 3 270.308 1.388 20 5 CDBDHN Cc1c(F)cnc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001169228972 927829995 /nfs/dbraw/zinc/82/99/95/927829995.db2.gz TVAOIAJBRBULPX-SSDOTTSWSA-N 0 3 265.248 1.643 20 5 CDBDHN Nc1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000853232203 927989402 /nfs/dbraw/zinc/98/94/02/927989402.db2.gz VTSGOUCMJHWDFO-JTQLQIEISA-N 0 3 262.313 1.826 20 5 CDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(Cl)n1 ZINC001123042858 936107114 /nfs/dbraw/zinc/10/71/14/936107114.db2.gz SMUMPZFHZXDCDO-LURJTMIESA-N 0 3 274.660 1.566 20 5 CDBDHN Cc1nc(Cl)nc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001158346242 938611796 /nfs/dbraw/zinc/61/17/96/938611796.db2.gz ULBHOWOECZJVIJ-YFKPBYRVSA-N 0 3 282.691 1.552 20 5 CDBDHN CC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001158535024 938633190 /nfs/dbraw/zinc/63/31/90/938633190.db2.gz NPXBPCWMBLOKTQ-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN CN(C)C1CN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001163934004 939357018 /nfs/dbraw/zinc/35/70/18/939357018.db2.gz VXAOCSSXUYVENR-UHFFFAOYSA-N 0 3 273.296 1.288 20 5 CDBDHN Cc1c(CNCCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000405331806 940982139 /nfs/dbraw/zinc/98/21/39/940982139.db2.gz CPRVQRSQECKJQY-UHFFFAOYSA-N 0 3 277.324 1.615 20 5 CDBDHN COC(=O)[C@@H](O[C@@H]1CCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638877 941689028 /nfs/dbraw/zinc/68/90/28/941689028.db2.gz ABWVCUZTILHDEE-MFKMUULPSA-N 0 3 294.307 1.530 20 5 CDBDHN COc1cccc(CO[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001223808534 941699780 /nfs/dbraw/zinc/69/97/80/941699780.db2.gz CAWMGZFYTYBDFV-LLVKDONJSA-N 0 3 266.297 1.824 20 5 CDBDHN CCN1CC[C@H](Oc2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC001225449631 941861669 /nfs/dbraw/zinc/86/16/69/941861669.db2.gz XDHLWNMRQNPOGH-NSHDSACASA-N 0 3 294.307 1.854 20 5 CDBDHN O=[N+]([O-])c1c[nH]cc2nc(O[C@H]3CN4CCC3CC4)nc1-2 ZINC001230230031 942592336 /nfs/dbraw/zinc/59/23/36/942592336.db2.gz JRBPBEHXIUAHAD-NSHDSACASA-N 0 3 289.295 1.339 20 5 CDBDHN O=[N+]([O-])c1ccsc1N1CC(N[C@H]2CCOC2)C1 ZINC001307217644 956380240 /nfs/dbraw/zinc/38/02/40/956380240.db2.gz QORQPKNODAPTKB-QMMMGPOBSA-N 0 3 269.326 1.223 20 5 CDBDHN COCC[C@H](N)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001573978755 1170852747 /nfs/dbraw/zinc/85/27/47/1170852747.db2.gz XVQHHGYBGCOJIG-SKDRFNHKSA-N 0 3 281.312 1.136 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1COCC[C@H]1O)CCC2 ZINC000601306493 342551228 /nfs/dbraw/zinc/55/12/28/342551228.db2.gz KCDWKJHWMMGQON-RBSFLKMASA-N 0 3 292.335 1.712 20 5 CDBDHN CN1CC[C@@](O)(CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342830447 361749121 /nfs/dbraw/zinc/74/91/21/361749121.db2.gz JLJFOBNJTRPHHO-GFCCVEGCSA-N 0 3 269.276 1.212 20 5 CDBDHN Cc1nc(N2C[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000590719077 342585812 /nfs/dbraw/zinc/58/58/12/342585812.db2.gz OHRXMXAEAIJNJC-PWSUYJOCSA-N 0 3 262.313 1.439 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(C2CCCC2)C1 ZINC000609287805 342100324 /nfs/dbraw/zinc/10/03/24/342100324.db2.gz URNYDRMYERNFDY-SNVBAGLBSA-N 0 3 279.344 1.757 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[C@H](F)CN1 ZINC000591281942 342624248 /nfs/dbraw/zinc/62/42/48/342624248.db2.gz ZHGONZPSQVIDRC-RYUDHWBXSA-N 0 3 297.330 1.783 20 5 CDBDHN C[C@@H](C(=O)NCC1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000591321566 342625854 /nfs/dbraw/zinc/62/58/54/342625854.db2.gz JHLIFEGOURWINN-LLVKDONJSA-N 0 3 291.351 1.909 20 5 CDBDHN C[C@H](NC(=O)[C@H]1NCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591667923 342641081 /nfs/dbraw/zinc/64/10/81/342641081.db2.gz GGCXUYIOIUCBTN-JOYOIKCWSA-N 0 3 277.324 1.770 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592473466 342698565 /nfs/dbraw/zinc/69/85/65/342698565.db2.gz RGFWAJYDPJEQAF-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN C[C@@H](NC[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712234 342243795 /nfs/dbraw/zinc/24/37/95/342243795.db2.gz VCUKMKAEWPNIKE-ZYHUDNBSSA-N 0 3 265.313 1.234 20 5 CDBDHN CCC(C)(C)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000594593344 342923222 /nfs/dbraw/zinc/92/32/22/342923222.db2.gz BEPLBOZHPVUXRV-UHFFFAOYSA-N 0 3 279.344 1.695 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)CO ZINC000595011619 342990327 /nfs/dbraw/zinc/99/03/27/342990327.db2.gz CHFCCCHAFQFWHE-DTWKUNHWSA-N 0 3 254.286 1.635 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1COCCO1 ZINC000595735490 343135229 /nfs/dbraw/zinc/13/52/29/343135229.db2.gz AMPWAQKXDDBYRT-AWEZNQCLSA-N 0 3 280.324 1.485 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000080389482 342352226 /nfs/dbraw/zinc/35/22/26/342352226.db2.gz YGTBEUJKXOSCTA-UHFFFAOYSA-N 0 3 251.286 1.228 20 5 CDBDHN O=c1[n-]ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596082406 343220408 /nfs/dbraw/zinc/22/04/08/343220408.db2.gz JTKBBPQOGXRBRT-NXEZZACHSA-N 0 3 278.312 1.734 20 5 CDBDHN O=c1[n-]ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000596082406 343220409 /nfs/dbraw/zinc/22/04/09/343220409.db2.gz JTKBBPQOGXRBRT-NXEZZACHSA-N 0 3 278.312 1.734 20 5 CDBDHN C[C@H]1C[C@H](Nc2ccc(N)c([N+](=O)[O-])n2)CN1C1CC1 ZINC000596155349 343247260 /nfs/dbraw/zinc/24/72/60/343247260.db2.gz IHFPSBBAEXXSQH-IUCAKERBSA-N 0 3 277.328 1.031 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000598342015 343770951 /nfs/dbraw/zinc/77/09/51/343770951.db2.gz JVVSQQDCUNSDQV-GFCCVEGCSA-N 0 3 295.314 1.948 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN1 ZINC000598575613 343833704 /nfs/dbraw/zinc/83/37/04/343833704.db2.gz VAVZAHXUJKHOPI-NSHDSACASA-N 0 3 292.339 1.247 20 5 CDBDHN CN(CCNC(=O)c1c(N)cccc1[N+](=O)[O-])C1CC1 ZINC000272488422 529916521 /nfs/dbraw/zinc/91/65/21/529916521.db2.gz RKWRTQWGRNFWCI-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC12CCC2 ZINC000612087017 347010205 /nfs/dbraw/zinc/01/02/05/347010205.db2.gz UIBQEWKCAPCPQI-GFCCVEGCSA-N 0 3 292.335 1.963 20 5 CDBDHN CN1CCCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000599139820 343959895 /nfs/dbraw/zinc/95/98/95/343959895.db2.gz QMHBYILCNSMYIB-VIFPVBQESA-N 0 3 270.358 1.617 20 5 CDBDHN CCN[C@H](C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602444571 344430980 /nfs/dbraw/zinc/43/09/80/344430980.db2.gz HVPOTPRUGHUTPE-SECBINFHSA-N 0 3 281.312 1.218 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@@H]1C ZINC000602778643 344593979 /nfs/dbraw/zinc/59/39/79/344593979.db2.gz MSOFMKSXSXDTGF-UWVGGRQHSA-N 0 3 252.318 1.830 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cnn(C)c1 ZINC000602810373 344603066 /nfs/dbraw/zinc/60/30/66/344603066.db2.gz LNCMYBMELYWNJD-SECBINFHSA-N 0 3 278.316 1.184 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000602902066 344655248 /nfs/dbraw/zinc/65/52/48/344655248.db2.gz FOUGIFVOEVPVCN-ZWNOBZJWSA-N 0 3 282.344 1.050 20 5 CDBDHN Cc1ncc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)s1 ZINC000602957353 344673136 /nfs/dbraw/zinc/67/31/36/344673136.db2.gz SBEJBEONSKEGRZ-QMMMGPOBSA-N 0 3 281.341 1.907 20 5 CDBDHN COCC(C)(C)N(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602838810 344620892 /nfs/dbraw/zinc/62/08/92/344620892.db2.gz HTVLIOMTYVQCIS-UHFFFAOYSA-N 0 3 270.333 1.457 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](O)[C@H]3CCCC[C@@H]32)n1 ZINC000602998180 344684217 /nfs/dbraw/zinc/68/42/17/344684217.db2.gz YRWUDUPPCVNPRA-AVGNSLFASA-N 0 3 294.355 1.417 20 5 CDBDHN COCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000273209082 192076295 /nfs/dbraw/zinc/07/62/95/192076295.db2.gz VBKZHOMZAMWSRZ-UHFFFAOYSA-N 0 3 299.302 1.641 20 5 CDBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000293378069 362555799 /nfs/dbraw/zinc/55/57/99/362555799.db2.gz JRJOGJPUJGWLKB-GWCFXTLKSA-N 0 3 268.313 1.331 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000033092962 345441179 /nfs/dbraw/zinc/44/11/79/345441179.db2.gz MXXIFRKJIRHJTJ-VIFPVBQESA-N 0 3 251.286 1.275 20 5 CDBDHN Cc1nn(C)c(N[C@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000609631209 345983677 /nfs/dbraw/zinc/98/36/77/345983677.db2.gz OSKMRBVKTAAAPV-NSHDSACASA-N 0 3 279.344 1.533 20 5 CDBDHN COCCCN(C)CCNc1cccnc1[N+](=O)[O-] ZINC000610280123 346242302 /nfs/dbraw/zinc/24/23/02/346242302.db2.gz PFUJROOUQMFAMK-UHFFFAOYSA-N 0 3 268.317 1.370 20 5 CDBDHN CCO[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000610447907 346284483 /nfs/dbraw/zinc/28/44/83/346284483.db2.gz LVHQJGHAFRLPEB-GFCCVEGCSA-N 0 3 268.317 1.292 20 5 CDBDHN C[C@@H](NCCSCCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293657336 362852782 /nfs/dbraw/zinc/85/27/82/362852782.db2.gz IXDRETNOGWHYIE-SNVBAGLBSA-N 0 3 299.396 1.943 20 5 CDBDHN COC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000069913093 349110829 /nfs/dbraw/zinc/11/08/29/349110829.db2.gz VLRNAPXOFMJZFZ-LBPRGKRZSA-N 0 3 254.286 1.082 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN(C)CCOC ZINC000091559034 180191449 /nfs/dbraw/zinc/19/14/49/180191449.db2.gz GVWYMHMUUTZNQG-UHFFFAOYSA-N 0 3 285.348 1.110 20 5 CDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000454355778 252344280 /nfs/dbraw/zinc/34/42/80/252344280.db2.gz MHNDOZMKTWPTCV-JTQLQIEISA-N 0 3 280.328 1.478 20 5 CDBDHN CS[C@H](CO)[C@@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722311 363207161 /nfs/dbraw/zinc/20/71/61/363207161.db2.gz MNLNDMPUOWEBPY-JRKPZEMJSA-N 0 3 299.396 1.940 20 5 CDBDHN CCC[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000036872994 363284037 /nfs/dbraw/zinc/28/40/37/363284037.db2.gz QWXTUIDKZJVOPP-JTQLQIEISA-N 0 3 251.286 1.969 20 5 CDBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000271900213 191399330 /nfs/dbraw/zinc/39/93/30/191399330.db2.gz ZETQKLQOJOQNJI-UHFFFAOYSA-N 0 3 289.295 1.805 20 5 CDBDHN COC(C)(C)CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000558681440 356040687 /nfs/dbraw/zinc/04/06/87/356040687.db2.gz CTWCPPGOBKTWEA-UHFFFAOYSA-N 0 3 256.306 1.148 20 5 CDBDHN CN1CC[C@H]2[C@@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088223 283161084 /nfs/dbraw/zinc/16/10/84/283161084.db2.gz ISYXRXXFZGIPMJ-RYUDHWBXSA-N 0 3 276.340 1.910 20 5 CDBDHN CC[C@](C)(O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284064550 357636847 /nfs/dbraw/zinc/63/68/47/357636847.db2.gz LAOBOWQQXGTZRF-RNCFNFMXSA-N 0 3 267.329 1.989 20 5 CDBDHN C[C@@H]1OCC[C@]1(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000227979337 358688648 /nfs/dbraw/zinc/68/86/48/358688648.db2.gz RNNXDFACXWKVEW-GWCFXTLKSA-N 0 3 266.297 1.224 20 5 CDBDHN CCN(CCn1ccc([N+](=O)[O-])n1)C[C@@H](C)OC ZINC000291154852 358884843 /nfs/dbraw/zinc/88/48/43/358884843.db2.gz FBXLNRPDPKWCBI-SNVBAGLBSA-N 0 3 256.306 1.148 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000305162822 359050418 /nfs/dbraw/zinc/05/04/18/359050418.db2.gz XLIPCNMVONFRTM-WCQYABFASA-N 0 3 281.356 1.476 20 5 CDBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)C1=CCN(C)CC1 ZINC000357934738 359083960 /nfs/dbraw/zinc/08/39/60/359083960.db2.gz HTGPUPHCHPTBHK-JTQLQIEISA-N 0 3 292.339 1.314 20 5 CDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000479495277 359448823 /nfs/dbraw/zinc/44/88/23/359448823.db2.gz BACBTQRNHXGMNX-VIFPVBQESA-N 0 3 295.343 1.120 20 5 CDBDHN COCCCN(C)CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000297243958 200123821 /nfs/dbraw/zinc/12/38/21/200123821.db2.gz UXFZRCHEMOPAQX-UHFFFAOYSA-N 0 3 283.332 1.073 20 5 CDBDHN Cc1nc(NC[C@@H](C)N(C)C2CC2)ncc1[N+](=O)[O-] ZINC000297324774 200148695 /nfs/dbraw/zinc/14/86/95/200148695.db2.gz ZUZNQQCIUGFYOV-MRVPVSSYSA-N 0 3 265.317 1.588 20 5 CDBDHN CN(C)CCSc1nc2sccn2c1[N+](=O)[O-] ZINC000301617244 201098207 /nfs/dbraw/zinc/09/82/07/201098207.db2.gz WDTYUTCYKGJTMY-UHFFFAOYSA-N 0 3 272.355 1.958 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@H](CO)c2ccc(F)cc2)n1 ZINC000273125017 239046098 /nfs/dbraw/zinc/04/60/98/239046098.db2.gz QECLBJFYWOYYID-GFCCVEGCSA-N 0 3 294.286 1.254 20 5 CDBDHN CCN(C)C[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000581835179 364041062 /nfs/dbraw/zinc/04/10/62/364041062.db2.gz OSHNTGVQIMOVQQ-JTQLQIEISA-N 0 3 271.342 1.395 20 5 CDBDHN CCCN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301119530 367806852 /nfs/dbraw/zinc/80/68/52/367806852.db2.gz XYDYDSBRFBBQCX-UHFFFAOYSA-N 0 3 280.332 1.253 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C ZINC000330898252 203367353 /nfs/dbraw/zinc/36/73/53/203367353.db2.gz IBTXZQBZDOINAY-DTWKUNHWSA-N 0 3 266.301 1.135 20 5 CDBDHN CCC[C@](C)(N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668518 369785083 /nfs/dbraw/zinc/78/50/83/369785083.db2.gz FRGIGCFACLZXQB-ZDUSSCGKSA-N 0 3 265.313 1.729 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423473658 374383394 /nfs/dbraw/zinc/38/33/94/374383394.db2.gz HKWUGOMNAGNCHL-TZMCWYRMSA-N 0 3 292.383 1.457 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000423530190 374388521 /nfs/dbraw/zinc/38/85/21/374388521.db2.gz WONOWGGOUKSVDD-YPMHNXCESA-N 0 3 279.340 1.542 20 5 CDBDHN CSC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429313619 374581624 /nfs/dbraw/zinc/58/16/24/374581624.db2.gz XQLAPDGUUCGSNC-NSHDSACASA-N 0 3 284.385 1.866 20 5 CDBDHN N[C@@H]1C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000424174740 246368839 /nfs/dbraw/zinc/36/88/39/246368839.db2.gz PLRPUPBHHHKSKK-WCBMZHEXSA-N 0 3 269.688 1.212 20 5 CDBDHN Cc1c([C@@H](C)NC[C@@H](O)CN(C)C)cccc1[N+](=O)[O-] ZINC000154310372 374696114 /nfs/dbraw/zinc/69/61/14/374696114.db2.gz YZIPYLNCVBQTDV-VXGBXAGGSA-N 0 3 281.356 1.476 20 5 CDBDHN Cc1ccccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037894961 374995932 /nfs/dbraw/zinc/99/59/32/374995932.db2.gz FEJKQMNCOATVNT-AWEZNQCLSA-N 0 3 290.323 1.250 20 5 CDBDHN CN(C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347252294 375003461 /nfs/dbraw/zinc/00/34/61/375003461.db2.gz BTQUTKBXIKHGPQ-UHFFFAOYSA-N 0 3 270.264 1.417 20 5 CDBDHN Cc1n[nH]c(C(=O)N[C@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000299573556 375181447 /nfs/dbraw/zinc/18/14/47/375181447.db2.gz WFCJKEVIACTVDZ-SECBINFHSA-N 0 3 295.343 1.231 20 5 CDBDHN CC[C@@H](O)[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000304508320 375456762 /nfs/dbraw/zinc/45/67/62/375456762.db2.gz HKWHNUURSBUOFY-QWHCGFSZSA-N 0 3 282.344 1.417 20 5 CDBDHN CCOC(=O)N1CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000495903704 375457398 /nfs/dbraw/zinc/45/73/98/375457398.db2.gz MYEBEPCUFSNBJF-VHSXEESVSA-N 0 3 288.300 1.063 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCOC2)c(Cl)c1 ZINC000230146883 375524683 /nfs/dbraw/zinc/52/46/83/375524683.db2.gz NGKVQHUTFISGHL-LBPRGKRZSA-N 0 3 286.715 1.489 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000344896173 375647545 /nfs/dbraw/zinc/64/75/45/375647545.db2.gz VOJYDXZIZNMYOE-UHFFFAOYSA-N 0 3 297.359 1.294 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000344896173 375647552 /nfs/dbraw/zinc/64/75/52/375647552.db2.gz VOJYDXZIZNMYOE-UHFFFAOYSA-N 0 3 297.359 1.294 20 5 CDBDHN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCN1C ZINC000345012237 375714597 /nfs/dbraw/zinc/71/45/97/375714597.db2.gz PIKONXUCNVKZJA-DTWKUNHWSA-N 0 3 266.301 1.135 20 5 CDBDHN C[C@@H]1[C@H](C)N(C)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000357064873 375881242 /nfs/dbraw/zinc/88/12/42/375881242.db2.gz JREOIKJIRWOQNM-QWHCGFSZSA-N 0 3 293.367 1.998 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134249013 375941146 /nfs/dbraw/zinc/94/11/46/375941146.db2.gz UQGBVORMUKGVCM-NSHDSACASA-N 0 3 295.314 1.900 20 5 CDBDHN CC(C)c1ccc(CNC[C@H](O)CO)cc1[N+](=O)[O-] ZINC000347499023 376312294 /nfs/dbraw/zinc/31/22/94/376312294.db2.gz GBQLWYXALBHODI-NSHDSACASA-N 0 3 268.313 1.161 20 5 CDBDHN CCOC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296680731 377206065 /nfs/dbraw/zinc/20/60/65/377206065.db2.gz IFEOGURAELNHDQ-GXFFZTMASA-N 0 3 268.313 1.643 20 5 CDBDHN C[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190814114 378583706 /nfs/dbraw/zinc/58/37/06/378583706.db2.gz NYGPFWHICODVBC-QWRGUYRKSA-N 0 3 268.313 1.158 20 5 CDBDHN COCCCN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173575422 378645331 /nfs/dbraw/zinc/64/53/31/378645331.db2.gz CLTSSLYRNGNGSE-UHFFFAOYSA-N 0 3 298.339 1.951 20 5 CDBDHN CCN1CCN([C@H](C)CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000059389362 379656049 /nfs/dbraw/zinc/65/60/49/379656049.db2.gz QPAUONDCCRAUGS-GFCCVEGCSA-N 0 3 293.371 1.428 20 5 CDBDHN CCCN1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450227235 251182180 /nfs/dbraw/zinc/18/21/80/251182180.db2.gz OWUDTILLXOKKRT-UHFFFAOYSA-N 0 3 279.344 1.980 20 5 CDBDHN Cc1nc(NCCN2CCCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000450484300 251305001 /nfs/dbraw/zinc/30/50/01/251305001.db2.gz KXYGSFDANHQFFN-UHFFFAOYSA-N 0 3 293.371 1.649 20 5 CDBDHN COC[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281318277 195194893 /nfs/dbraw/zinc/19/48/93/195194893.db2.gz ZQEKADIONWVNMK-MNOVXSKESA-N 0 3 268.313 1.561 20 5 CDBDHN COC[C@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451202782 390604228 /nfs/dbraw/zinc/60/42/28/390604228.db2.gz PPNLVTVGVJDKDF-GFCCVEGCSA-N 0 3 268.317 1.150 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000269438290 391091457 /nfs/dbraw/zinc/09/14/57/391091457.db2.gz ORSJTDMONCRLEG-SECBINFHSA-N 0 3 295.343 1.265 20 5 CDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CN(C)C ZINC000343789205 391637839 /nfs/dbraw/zinc/63/78/39/391637839.db2.gz MMKKVJRHDXPUDY-VIFPVBQESA-N 0 3 280.328 1.316 20 5 CDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CN(C)C ZINC000343789204 391637880 /nfs/dbraw/zinc/63/78/80/391637880.db2.gz MMKKVJRHDXPUDY-SECBINFHSA-N 0 3 280.328 1.316 20 5 CDBDHN CCN(C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266002462 391664276 /nfs/dbraw/zinc/66/42/76/391664276.db2.gz NXMDAZPKMFAGFY-UHFFFAOYSA-N 0 3 293.367 1.940 20 5 CDBDHN C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190424339 130102544 /nfs/dbraw/zinc/10/25/44/130102544.db2.gz NFUGSLPOBMHZMR-HONMWMINSA-N 0 3 280.324 1.331 20 5 CDBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000192173893 130387647 /nfs/dbraw/zinc/38/76/47/130387647.db2.gz HRHIOATWPABXQK-SNVBAGLBSA-N 0 3 270.358 1.619 20 5 CDBDHN CC(COC(=O)[C@H](C)CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496469886 391922043 /nfs/dbraw/zinc/92/20/43/391922043.db2.gz NDGCJKVRWDRGDW-RKDXNWHRSA-N 0 3 290.316 1.356 20 5 CDBDHN C[C@H]1CCCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471781 392043940 /nfs/dbraw/zinc/04/39/40/392043940.db2.gz VWTMICHBUMYWPX-NWDGAFQWSA-N 0 3 280.324 1.819 20 5 CDBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000263797340 131332952 /nfs/dbraw/zinc/33/29/52/131332952.db2.gz YMMWKJBIGHSNHL-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263957028 131369022 /nfs/dbraw/zinc/36/90/22/131369022.db2.gz MMEHOIUJDRFNHO-UWVGGRQHSA-N 0 3 294.359 1.499 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459775792 392504942 /nfs/dbraw/zinc/50/49/42/392504942.db2.gz KNFQAQLDEZJKJE-UTLUCORTSA-N 0 3 250.302 1.607 20 5 CDBDHN Cc1nc(N2CCN(C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000348372667 392874447 /nfs/dbraw/zinc/87/44/47/392874447.db2.gz ZESZNJPRJBISDJ-SNVBAGLBSA-N 0 3 264.329 1.829 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000421707420 392942648 /nfs/dbraw/zinc/94/26/48/392942648.db2.gz XIEKZCGEJFZIQR-LBPRGKRZSA-N 0 3 295.314 1.900 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCc3ccccc3CC2)n1 ZINC000530904990 393054864 /nfs/dbraw/zinc/05/48/64/393054864.db2.gz SGKJFQBKHRBBLE-UHFFFAOYSA-N 0 3 286.335 1.892 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N(C)C ZINC000449223430 393131400 /nfs/dbraw/zinc/13/14/00/393131400.db2.gz JTIRPIYTUPHGPS-JTQLQIEISA-N 0 3 265.313 1.204 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H](O)C(F)F ZINC000449176767 393131858 /nfs/dbraw/zinc/13/18/58/393131858.db2.gz ULLKKZMGNZZAAP-GZMMTYOYSA-N 0 3 274.267 1.741 20 5 CDBDHN NC(=O)[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449744562 393141085 /nfs/dbraw/zinc/14/10/85/393141085.db2.gz IBSRIUIXIXDALA-SCZZXKLOSA-N 0 3 297.742 1.992 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC1(O)CCCCCC1 ZINC000187346415 140078380 /nfs/dbraw/zinc/07/83/80/140078380.db2.gz HXAYLYFZGLONMV-UHFFFAOYSA-N 0 3 296.371 1.808 20 5 CDBDHN CSCC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231857071 140220370 /nfs/dbraw/zinc/22/03/70/140220370.db2.gz GDDPIDPDXAJWQJ-NSHDSACASA-N 0 3 297.380 1.600 20 5 CDBDHN CCCC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236782143 140245397 /nfs/dbraw/zinc/24/53/97/140245397.db2.gz GCJMEUJQYPRDSU-AWEZNQCLSA-N 0 3 291.351 1.997 20 5 CDBDHN COc1ccc(CN(C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000286769888 397976694 /nfs/dbraw/zinc/97/66/94/397976694.db2.gz ZRPWMUOOLUCUKQ-DGCLKSJQSA-N 0 3 280.324 1.949 20 5 CDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCCC1 ZINC000180892494 148167668 /nfs/dbraw/zinc/16/76/68/148167668.db2.gz SVVCKHQEFLAKAV-UHFFFAOYSA-N 0 3 278.312 1.003 20 5 CDBDHN CCn1cc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000181445579 148201198 /nfs/dbraw/zinc/20/11/98/148201198.db2.gz UDTVCZHIYAKFHZ-JTQLQIEISA-N 0 3 278.316 1.359 20 5 CDBDHN CCCN1CCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000343915532 152351301 /nfs/dbraw/zinc/35/13/01/152351301.db2.gz GXXKTWXEEWYIBW-JTQLQIEISA-N 0 3 267.333 1.615 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000346272003 153120379 /nfs/dbraw/zinc/12/03/79/153120379.db2.gz RJUQGFQMKYDUIB-SNVBAGLBSA-N 0 3 265.313 1.204 20 5 CDBDHN CC(C)(CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCCCC1 ZINC000348497958 153911054 /nfs/dbraw/zinc/91/10/54/153911054.db2.gz VQHCDPLYICBAIS-UHFFFAOYSA-N 0 3 295.343 1.312 20 5 CDBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000352150923 154986134 /nfs/dbraw/zinc/98/61/34/154986134.db2.gz YZCMMGIWVFZJDV-LLVKDONJSA-N 0 3 293.367 1.939 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC[C@H](CO)O1 ZINC000353702090 156024470 /nfs/dbraw/zinc/02/44/70/156024470.db2.gz IAKVVIVLBWFMDA-UONOGXRCSA-N 0 3 280.324 1.533 20 5 CDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000359667950 158329021 /nfs/dbraw/zinc/32/90/21/158329021.db2.gz AXEKFSPSBKMKTP-CYBMUJFWSA-N 0 3 268.313 1.158 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362083889 159065393 /nfs/dbraw/zinc/06/53/93/159065393.db2.gz BVGWHCLFODJPOA-NWDGAFQWSA-N 0 3 280.324 1.534 20 5 CDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408122670 160703459 /nfs/dbraw/zinc/70/34/59/160703459.db2.gz YPVOEYINEIWFRB-MFKMUULPSA-N 0 3 292.339 1.622 20 5 CDBDHN COC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071269819 176103531 /nfs/dbraw/zinc/10/35/31/176103531.db2.gz NMNYCGMQLLONCY-JOYOIKCWSA-N 0 3 254.286 1.253 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000525805720 262368070 /nfs/dbraw/zinc/36/80/70/262368070.db2.gz KOUHOJFGRFJYTR-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN CN(C)C1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278331623 273792551 /nfs/dbraw/zinc/79/25/51/273792551.db2.gz IOAXKCWBYVUSIV-UHFFFAOYSA-N 0 3 290.245 1.759 20 5 CDBDHN O=[N+]([O-])c1cnc(NC2CCN(C3CCC3)CC2)nc1 ZINC000295963492 275041203 /nfs/dbraw/zinc/04/12/03/275041203.db2.gz JSWDTSRCHUIXFG-UHFFFAOYSA-N 0 3 277.328 1.814 20 5 CDBDHN CN1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278852104 277194998 /nfs/dbraw/zinc/19/49/98/277194998.db2.gz VRIUXRJRQXBHKC-FZMZJTMJSA-N 0 3 289.335 1.793 20 5 CDBDHN CN1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278852110 277205267 /nfs/dbraw/zinc/20/52/67/277205267.db2.gz VRIUXRJRQXBHKC-RISCZKNCSA-N 0 3 289.335 1.793 20 5 CDBDHN Cc1nc(NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000397971424 280710709 /nfs/dbraw/zinc/71/07/09/280710709.db2.gz MSLNJUJVFWVYJF-UHFFFAOYSA-N 0 3 250.302 1.226 20 5 CDBDHN CC(C)=CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571158882 294378320 /nfs/dbraw/zinc/37/83/20/294378320.db2.gz ZFKRLGYDAQGFMN-ZDUSSCGKSA-N 0 3 280.324 1.890 20 5 CDBDHN CC(C)NCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000581440510 324748804 /nfs/dbraw/zinc/74/88/04/324748804.db2.gz ILLGGDRCRPIIQE-UHFFFAOYSA-N 0 3 279.340 1.944 20 5 CDBDHN CN[C@@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000582855972 325059534 /nfs/dbraw/zinc/05/95/34/325059534.db2.gz HNBIWBWKSHQBCG-NSHDSACASA-N 0 3 279.340 1.642 20 5 CDBDHN CC(C)NCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943244 519719863 /nfs/dbraw/zinc/71/98/63/519719863.db2.gz ONDIHJKLFBIYBO-UHFFFAOYSA-N 0 3 251.286 1.209 20 5 CDBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000050683008 522642674 /nfs/dbraw/zinc/64/26/74/522642674.db2.gz PEEXVQAQWOIEKD-UHFFFAOYSA-N 0 3 292.339 1.462 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CN2CCC1CC2 ZINC000052812230 525578445 /nfs/dbraw/zinc/57/84/45/525578445.db2.gz ZYSRJTBQFGXDCU-LBPRGKRZSA-N 0 3 262.313 1.804 20 5 CDBDHN C[C@@H]1OCC[C@]1(C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755170499 576934225 /nfs/dbraw/zinc/93/42/25/576934225.db2.gz SKJCKJVXLYYCKR-GDLCADMTSA-N 0 3 280.324 1.785 20 5 CDBDHN CN(C)CCSc1nc2ccccn2c1[N+](=O)[O-] ZINC000756766020 577003456 /nfs/dbraw/zinc/00/34/56/577003456.db2.gz HSJRPGNUPHAOSM-UHFFFAOYSA-N 0 3 266.326 1.896 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCCNc2ncccn2)cc1 ZINC000751507932 577046598 /nfs/dbraw/zinc/04/65/98/577046598.db2.gz ZHUOYLMGTMRHGQ-UHFFFAOYSA-N 0 3 287.323 1.977 20 5 CDBDHN CC(COC(=O)c1ccccc1SCC(N)=O)[N+](=O)[O-] ZINC000813114042 617347818 /nfs/dbraw/zinc/34/78/18/617347818.db2.gz LNZYWPWLQUAZCN-MRVPVSSYSA-N 0 3 298.320 1.086 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000893069106 618124899 /nfs/dbraw/zinc/12/48/99/618124899.db2.gz BGMVRQNOBUILNP-KOLCDFICSA-N 0 3 296.323 1.824 20 5 CDBDHN CNc1ccccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000902335428 624695244 /nfs/dbraw/zinc/69/52/44/624695244.db2.gz BDXBUPZSMNARPE-UHFFFAOYSA-N 0 3 275.312 1.623 20 5 CDBDHN C[C@H](CN1CCN(c2ccccc2)CC1)NCC[N+](=O)[O-] ZINC000905132202 626646611 /nfs/dbraw/zinc/64/66/11/626646611.db2.gz KPPPQIKPYGBWCS-CQSZACIVSA-N 0 3 292.383 1.063 20 5 CDBDHN O=[N+]([O-])CCNCCc1nc2c(s1)CCCC2 ZINC000905192324 626670137 /nfs/dbraw/zinc/67/01/37/626670137.db2.gz ZIOLPGCKKWAFHP-UHFFFAOYSA-N 0 3 255.343 1.431 20 5 CDBDHN O=[N+]([O-])CCN[C@H]1CCCN(c2ccccc2F)C1 ZINC000905192495 626670195 /nfs/dbraw/zinc/67/01/95/626670195.db2.gz UKZJPEFQHFRCRF-NSHDSACASA-N 0 3 267.304 1.661 20 5 CDBDHN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2c1)[C@@H]1CNCCO1 ZINC001170571771 1162966249 /nfs/dbraw/zinc/96/62/49/1162966249.db2.gz ZRFQZGXLRUMPCP-ONGXEEELSA-N 0 3 291.311 1.031 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cnco1 ZINC001132030360 1163154187 /nfs/dbraw/zinc/15/41/87/1163154187.db2.gz RSZLGDFOEFQYHH-UHFFFAOYSA-N 0 3 290.279 1.102 20 5 CDBDHN COC[C@H](CCO)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873058520 1165508471 /nfs/dbraw/zinc/50/84/71/1165508471.db2.gz PVHVKCQHPAXYGA-LBPRGKRZSA-N 0 3 282.340 1.699 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](CO)[C@H](CO)C1 ZINC000879696076 1166397349 /nfs/dbraw/zinc/39/73/49/1166397349.db2.gz HOBYNNVRHQCNTF-RWMBFGLXSA-N 0 3 294.351 1.497 20 5 CDBDHN Nc1cc([N+](=O)[O-])cnc1N[C@H]1CNCc2ccsc21 ZINC001155565928 1167232768 /nfs/dbraw/zinc/23/27/68/1167232768.db2.gz VSHPTEOQMZVTCJ-JTQLQIEISA-N 0 3 291.336 1.890 20 5 CDBDHN O=C(OC1CNC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580801404 1172540962 /nfs/dbraw/zinc/54/09/62/1172540962.db2.gz PUZNZAFQAAIAIG-UHFFFAOYSA-N 0 3 263.253 1.066 20 5 CDBDHN O=[N+]([O-])c1cc(F)cnc1N1CCNC2(CC2)C1 ZINC001158933693 1163847004 /nfs/dbraw/zinc/84/70/04/1163847004.db2.gz SQZSFHXCZMDIKH-UHFFFAOYSA-N 0 3 252.249 1.071 20 5 CDBDHN COC(=O)C[C@](C)(NCc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886309129 735517313 /nfs/dbraw/zinc/51/73/13/735517313.db2.gz UOSPWNYUDHWZTP-AWEZNQCLSA-N 0 3 293.323 1.811 20 5 CDBDHN CC(COC(=O)Cc1cnn2ccccc12)[N+](=O)[O-] ZINC000842801843 735942736 /nfs/dbraw/zinc/94/27/36/735942736.db2.gz NLSVJQQGVZEWHN-VIFPVBQESA-N 0 3 263.253 1.085 20 5 CDBDHN CC(COC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)[N+](=O)[O-] ZINC000813104745 736079110 /nfs/dbraw/zinc/07/91/10/736079110.db2.gz GQKRPJFXZMKGSF-XCBNKYQSSA-N 0 3 296.254 1.460 20 5 CDBDHN C[C@H]1COC[C@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932495076 733414994 /nfs/dbraw/zinc/41/49/94/733414994.db2.gz XIXRAZHPVPNNAJ-GXFFZTMASA-N 0 3 293.323 1.182 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCN(C)C1 ZINC000850432098 733544050 /nfs/dbraw/zinc/54/40/50/733544050.db2.gz QZTWQFOYRXSVGM-WDEREUQCSA-N 0 3 279.340 1.958 20 5 CDBDHN CC[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000229934680 733751813 /nfs/dbraw/zinc/75/18/13/733751813.db2.gz LIRTWGLBUCICAX-JTQLQIEISA-N 0 3 279.275 1.784 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845739341 733825605 /nfs/dbraw/zinc/82/56/05/733825605.db2.gz RUIUGGQOSNSMEW-JTQLQIEISA-N 0 3 295.339 1.963 20 5 CDBDHN COC(=O)[C@H]1CN(C)CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000840358409 733868996 /nfs/dbraw/zinc/86/89/96/733868996.db2.gz AGDRGNNJPKKIIL-NSHDSACASA-N 0 3 293.323 1.136 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](c3ccccn3)C2)c1 ZINC000799191465 734040841 /nfs/dbraw/zinc/04/08/41/734040841.db2.gz LMPWQVKYYPZGHG-GFCCVEGCSA-N 0 3 287.323 1.676 20 5 CDBDHN CO[C@@H](CC(=O)OCC(C)[N+](=O)[O-])C(F)(F)F ZINC000845574816 734239062 /nfs/dbraw/zinc/23/90/62/734239062.db2.gz DDBGBYQKHALCCZ-RITPCOANSA-N 0 3 259.180 1.162 20 5 CDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000776582226 734240764 /nfs/dbraw/zinc/24/07/64/734240764.db2.gz MQTBNZMVRAEEBA-CHWSQXEVSA-N 0 3 266.297 1.349 20 5 CDBDHN CCN1CCN(CCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000853153324 734241385 /nfs/dbraw/zinc/24/13/85/734241385.db2.gz MBYKACFEXJHENC-UHFFFAOYSA-N 0 3 296.346 1.783 20 5 CDBDHN Cc1nn(C)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813107312 734312950 /nfs/dbraw/zinc/31/29/50/734312950.db2.gz PCIFWJXXZOPRQY-LURJTMIESA-N 0 3 283.309 1.765 20 5 CDBDHN CC(COC(=O)Cc1nn(C)c2ccccc12)[N+](=O)[O-] ZINC000817739742 734719746 /nfs/dbraw/zinc/71/97/46/734719746.db2.gz OWMUZODPSUMKGJ-VIFPVBQESA-N 0 3 277.280 1.324 20 5 CDBDHN CCCN(CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774474 734797839 /nfs/dbraw/zinc/79/78/39/734797839.db2.gz DWTAOAYXUTUESG-UHFFFAOYSA-N 0 3 256.277 1.938 20 5 CDBDHN CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000782577347 734910440 /nfs/dbraw/zinc/91/04/40/734910440.db2.gz AVQITMPKROCQMQ-ZIAGYGMSSA-N 0 3 294.351 1.721 20 5 CDBDHN CC(COC(=O)c1ccnc(NC(=O)C2CC2)c1)[N+](=O)[O-] ZINC000813103525 735237443 /nfs/dbraw/zinc/23/74/43/735237443.db2.gz CTTDHSRRIHPXJQ-QMMMGPOBSA-N 0 3 293.279 1.252 20 5 CDBDHN CC(C)(CC(N)=O)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000230652838 735632334 /nfs/dbraw/zinc/63/23/34/735632334.db2.gz IENYVWDMDJIUIN-UHFFFAOYSA-N 0 3 285.731 1.992 20 5 CDBDHN COc1cc(N[C@@]2(C)CCCN(C)C2)ncc1[N+](=O)[O-] ZINC001162341506 922355779 /nfs/dbraw/zinc/35/57/79/922355779.db2.gz MFHAOBCCXAGZOE-ZDUSSCGKSA-N 0 3 280.328 1.895 20 5 CDBDHN COC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC000689584391 936775273 /nfs/dbraw/zinc/77/52/73/936775273.db2.gz FVXJHNGFSDWZMU-UHFFFAOYSA-N 0 3 267.285 1.383 20 5 CDBDHN COc1cc([N+](=O)[O-])c(-n2nc(CN)cc2C)cc1F ZINC001163985555 924453588 /nfs/dbraw/zinc/45/35/88/924453588.db2.gz WGJVXVWYRROYRR-UHFFFAOYSA-N 0 3 280.259 1.695 20 5 CDBDHN NC(=O)[C@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006355 927610770 /nfs/dbraw/zinc/61/07/70/927610770.db2.gz XRQLTUABVVNCGH-RAIGVLPGSA-N 0 3 277.324 1.248 20 5 CDBDHN CCCc1cc(CN)nn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987902 927624573 /nfs/dbraw/zinc/62/45/73/927624573.db2.gz LEZMFTMBTNJZTG-GWCFXTLKSA-N 0 3 266.345 1.912 20 5 CDBDHN Cc1nc2c(n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1)CNCC2 ZINC001169039909 927655136 /nfs/dbraw/zinc/65/51/36/927655136.db2.gz VQFRNHNJNLSGFQ-WDEREUQCSA-N 0 3 264.329 1.455 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)n1 ZINC001169227183 927827466 /nfs/dbraw/zinc/82/74/66/927827466.db2.gz AHNQJHKCKFKOQA-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN COc1nc(C)c(-n2ccc([C@@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169234623 927849741 /nfs/dbraw/zinc/84/97/41/927849741.db2.gz ZOEZVKWKLWOTTQ-SSDOTTSWSA-N 0 3 277.284 1.512 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000852702883 927851072 /nfs/dbraw/zinc/85/10/72/927851072.db2.gz KHXFAXXLPSCICN-KCPJHIHWSA-N 0 3 294.351 1.579 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(N2C[C@H]3CCCN(C)[C@H]3C2)n1 ZINC001157264548 938471911 /nfs/dbraw/zinc/47/19/11/938471911.db2.gz FGDGLYUIUAPPHR-PWSUYJOCSA-N 0 3 277.328 1.224 20 5 CDBDHN CCN1CCCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001163776411 939329115 /nfs/dbraw/zinc/32/91/15/939329115.db2.gz YFFIDUNWHXHJRL-UHFFFAOYSA-N 0 3 265.317 1.104 20 5 CDBDHN O=[N+]([O-])c1ccc(CO[C@H]2CN3CCC2CC3)cn1 ZINC001224109349 941721193 /nfs/dbraw/zinc/72/11/93/941721193.db2.gz RNBSBSNPYUUKMY-LBPRGKRZSA-N 0 3 263.297 1.601 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690466 942205037 /nfs/dbraw/zinc/20/50/37/942205037.db2.gz HHQPPCNAVPKFMB-QMMMGPOBSA-N 0 3 280.308 1.340 20 5 CDBDHN Cc1[nH]c(=O)cc(O[C@@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001228685408 942357142 /nfs/dbraw/zinc/35/71/42/942357142.db2.gz HIXKGJCTWSSTOH-LLVKDONJSA-N 0 3 279.296 1.477 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC(N3CCCC3)C1)C2 ZINC001254601006 947550966 /nfs/dbraw/zinc/55/09/66/947550966.db2.gz UVNHARRHEARYHY-OAHLLOKOSA-N 0 3 287.363 1.842 20 5 CDBDHN CN1C[C@@H]2C[C@H]1CN2[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602782 947554542 /nfs/dbraw/zinc/55/45/42/947554542.db2.gz ITJIBCHPCNAARM-ILXRZTDVSA-N 0 3 273.336 1.450 20 5 CDBDHN COc1ccsc1CNCCn1cc([N+](=O)[O-])cn1 ZINC001308317079 956515369 /nfs/dbraw/zinc/51/53/69/956515369.db2.gz ZEXGJODEZDOINZ-UHFFFAOYSA-N 0 3 282.325 1.651 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@]2(C)CCOC2)c1[N+](=O)[O-] ZINC001342959226 963871685 /nfs/dbraw/zinc/87/16/85/963871685.db2.gz FHTBBCDDOLEAMA-AWEZNQCLSA-N 0 3 296.323 1.825 20 5 CDBDHN Cc1cc(NC(=O)[C@@H](C)NC2CC2)cc([N+](=O)[O-])c1 ZINC001343777899 964137148 /nfs/dbraw/zinc/13/71/48/964137148.db2.gz UUMXFTAVFMLKSB-SECBINFHSA-N 0 3 263.297 1.982 20 5 CDBDHN CC[C@H](C)n1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC001344999220 964526282 /nfs/dbraw/zinc/52/62/82/964526282.db2.gz XENXXWHYLNJFDE-IUCAKERBSA-N 0 3 255.274 1.676 20 5 CDBDHN CC(COC(=O)[C@]1(c2ccccc2)CCCO1)[N+](=O)[O-] ZINC001346123204 964940759 /nfs/dbraw/zinc/94/07/59/964940759.db2.gz JYGBTFQQTINRCJ-BXUZGUMPSA-N 0 3 279.292 1.901 20 5 CDBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000046275728 342055936 /nfs/dbraw/zinc/05/59/36/342055936.db2.gz JDYWGYVWZOJHIH-SECBINFHSA-N 0 3 251.286 1.275 20 5 CDBDHN CN1CC[C@@H]2CN(c3ccc([N+](=O)[O-])s3)C[C@@H]21 ZINC000590719106 342585816 /nfs/dbraw/zinc/58/58/16/342585816.db2.gz RHZVRSKDYGPDRY-BDAKNGLRSA-N 0 3 253.327 1.797 20 5 CDBDHN O=C1NCCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000590971939 342612351 /nfs/dbraw/zinc/61/23/51/342612351.db2.gz YAEQOECDJPZVBQ-LLVKDONJSA-N 0 3 263.297 1.211 20 5 CDBDHN CC(C)[C@@H](N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649355 342931794 /nfs/dbraw/zinc/93/17/94/342931794.db2.gz LNIDUIDSGSNXQG-LLVKDONJSA-N 0 3 262.273 1.226 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000594714954 342946678 /nfs/dbraw/zinc/94/66/78/342946678.db2.gz VAASIEGSDHPPNG-DRZSPHRISA-N 0 3 280.328 1.027 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(CO)COC1 ZINC000595020960 342995983 /nfs/dbraw/zinc/99/59/83/342995983.db2.gz BOAMYFQRELIIMH-SNVBAGLBSA-N 0 3 296.323 1.263 20 5 CDBDHN COC[C@@]1(CO)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000451934543 362048348 /nfs/dbraw/zinc/04/83/48/362048348.db2.gz VGYXNVPEFANPQV-HNNXBMFYSA-N 0 3 294.351 1.468 20 5 CDBDHN C[C@H](CO)[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000595678077 343129961 /nfs/dbraw/zinc/12/99/61/343129961.db2.gz QFKULKBFIDOATH-VXGBXAGGSA-N 0 3 282.344 1.274 20 5 CDBDHN COC1CCN(CCNc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000080249732 342351245 /nfs/dbraw/zinc/35/12/45/342351245.db2.gz KVUHBGRITVQEKM-UHFFFAOYSA-N 0 3 294.355 1.821 20 5 CDBDHN O=c1[n-]ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596076861 343226757 /nfs/dbraw/zinc/22/67/57/343226757.db2.gz QTEVZTYUYQSUBV-ONGXEEELSA-N 0 3 278.312 1.734 20 5 CDBDHN O=c1[n-]ccc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596076861 343226759 /nfs/dbraw/zinc/22/67/59/343226759.db2.gz QTEVZTYUYQSUBV-ONGXEEELSA-N 0 3 278.312 1.734 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000596243394 343285374 /nfs/dbraw/zinc/28/53/74/343285374.db2.gz LEQBUPIAFFOKRM-QMMMGPOBSA-N 0 3 257.265 1.068 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596482707 343328025 /nfs/dbraw/zinc/32/80/25/343328025.db2.gz UNDSARYLPNWCLR-VIFPVBQESA-N 0 3 266.301 1.137 20 5 CDBDHN CC[C@@H](NCC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090644619 342396876 /nfs/dbraw/zinc/39/68/76/342396876.db2.gz FKIDIDVQSVGRBR-CYBMUJFWSA-N 0 3 280.324 1.644 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCNC2(CCCCC2)C1 ZINC000400765273 342442794 /nfs/dbraw/zinc/44/27/94/342442794.db2.gz KNZAZUOVTSADLB-UHFFFAOYSA-N 0 3 292.339 1.671 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000598341451 343770201 /nfs/dbraw/zinc/77/02/01/343770201.db2.gz BTTKPOQOTLURJJ-VIFPVBQESA-N 0 3 266.301 1.137 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)Nc1cccc([N+](=O)[O-])c1 ZINC000598916318 343920005 /nfs/dbraw/zinc/92/00/05/343920005.db2.gz XUUJYUUAVUBKHE-WPRPVWTQSA-N 0 3 282.275 1.416 20 5 CDBDHN COCc1cc([N+](=O)[O-])ccc1NCCN1CC[C@@H](O)C1 ZINC000599176353 343966153 /nfs/dbraw/zinc/96/61/53/343966153.db2.gz RJKAVNHOVVWTMP-CYBMUJFWSA-N 0 3 295.339 1.220 20 5 CDBDHN C[C@H](CF)NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602660912 344533642 /nfs/dbraw/zinc/53/36/42/344533642.db2.gz AVOGMCGGCWYPSH-SNVBAGLBSA-N 0 3 282.319 1.906 20 5 CDBDHN CC(C)(CCO)NCc1ccc([N+](=O)[O-])cc1F ZINC000310921590 535050430 /nfs/dbraw/zinc/05/04/30/535050430.db2.gz HIEWXMBVUZSTHP-UHFFFAOYSA-N 0 3 256.277 1.985 20 5 CDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056240462 348814952 /nfs/dbraw/zinc/81/49/52/348814952.db2.gz HMIOTLKDPACFRN-GHMZBOCLSA-N 0 3 294.355 1.773 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccncc2)CC1 ZINC000008338152 350548407 /nfs/dbraw/zinc/54/84/07/350548407.db2.gz YYTRQGSVQGRQGK-UHFFFAOYSA-N 0 3 288.311 1.050 20 5 CDBDHN COc1ccc(CN[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000109546877 186262300 /nfs/dbraw/zinc/26/23/00/186262300.db2.gz DWZTZQOPTYTCMT-NSHDSACASA-N 0 3 266.297 1.872 20 5 CDBDHN CNC(=O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000111268297 186383619 /nfs/dbraw/zinc/38/36/19/186383619.db2.gz QDKXCFXTZYEZJP-LBPRGKRZSA-N 0 3 277.324 1.553 20 5 CDBDHN CSC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000292288114 198231353 /nfs/dbraw/zinc/23/13/53/198231353.db2.gz CEUGIFMTPSLTLW-LLVKDONJSA-N 0 3 284.385 1.866 20 5 CDBDHN COCCN1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000358422228 356208759 /nfs/dbraw/zinc/20/87/59/356208759.db2.gz BFALOBUMHCMNFQ-UHFFFAOYSA-N 0 3 280.328 1.513 20 5 CDBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000286275006 356242732 /nfs/dbraw/zinc/24/27/32/356242732.db2.gz VMVAYNJCZRZSRM-SNVBAGLBSA-N 0 3 288.307 1.571 20 5 CDBDHN CC(C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000106409294 357244663 /nfs/dbraw/zinc/24/46/63/357244663.db2.gz YJUSRAVGNQHIPO-ZDUSSCGKSA-N 0 3 279.340 1.797 20 5 CDBDHN Cc1ccc(CN(C)CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000188838766 357943177 /nfs/dbraw/zinc/94/31/77/357943177.db2.gz UYMAHHPBUVPGEV-UHFFFAOYSA-N 0 3 294.351 1.877 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@]1(O)CCOC1)CCC2 ZINC000193050360 358261028 /nfs/dbraw/zinc/26/10/28/358261028.db2.gz QODHPLZDAQBZNC-GJZGRUSLSA-N 0 3 292.335 1.713 20 5 CDBDHN Cc1nc(NCC2=CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000294873419 199225340 /nfs/dbraw/zinc/22/53/40/199225340.db2.gz DXTQTJYFIBIZBJ-UHFFFAOYSA-N 0 3 263.301 1.367 20 5 CDBDHN C[C@H](O)CCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135406197 358636471 /nfs/dbraw/zinc/63/64/71/358636471.db2.gz DLCLFBNZSRYRTA-NSHDSACASA-N 0 3 252.314 1.840 20 5 CDBDHN C[C@@H](O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162832159 358834734 /nfs/dbraw/zinc/83/47/34/358834734.db2.gz PKNWJLLCEFBBAW-ZYHUDNBSSA-N 0 3 250.298 1.798 20 5 CDBDHN O=[N+]([O-])c1cnc2c(c1)CN(CC[C@H]1CCOC1)CC2 ZINC000450691822 358980784 /nfs/dbraw/zinc/98/07/84/358980784.db2.gz JPYKSTRMGVZZBU-NSHDSACASA-N 0 3 277.324 1.775 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)n1 ZINC000451697711 359069366 /nfs/dbraw/zinc/06/93/66/359069366.db2.gz RIPOPFDWQVFERS-UPJWGTAASA-N 0 3 294.355 1.274 20 5 CDBDHN CC[C@@H](C)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000451839389 359084340 /nfs/dbraw/zinc/08/43/40/359084340.db2.gz JSGOXXWCOXCFJP-GFCCVEGCSA-N 0 3 281.360 1.207 20 5 CDBDHN CCN(C)CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049937542 359523232 /nfs/dbraw/zinc/52/32/32/359523232.db2.gz UUOKBCHUAMVBBQ-UHFFFAOYSA-N 0 3 266.301 1.057 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054150131 359543652 /nfs/dbraw/zinc/54/36/52/359543652.db2.gz NHJIPQJDRHWKTP-NSHDSACASA-N 0 3 295.314 1.948 20 5 CDBDHN Cc1nc(N2CCC[C@@H]2CN(C)C)ncc1[N+](=O)[O-] ZINC000297369351 200166011 /nfs/dbraw/zinc/16/60/11/200166011.db2.gz CQTVLMBERWGLRF-SNVBAGLBSA-N 0 3 265.317 1.224 20 5 CDBDHN C[C@@H](N[C@@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000135716442 359951241 /nfs/dbraw/zinc/95/12/41/359951241.db2.gz GVIOLWCUIJYEQK-DTWKUNHWSA-N 0 3 251.286 1.509 20 5 CDBDHN CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000270394828 360485581 /nfs/dbraw/zinc/48/55/81/360485581.db2.gz UBKBAFFIJBVETJ-NEPJUHHUSA-N 0 3 296.396 1.780 20 5 CDBDHN Cc1c(CN2CC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000367306828 361285495 /nfs/dbraw/zinc/28/54/95/361285495.db2.gz AWRLCGGKMICFLH-NSHDSACASA-N 0 3 277.324 1.601 20 5 CDBDHN COc1ccc(CNC(=O)[C@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000295210244 239302537 /nfs/dbraw/zinc/30/25/37/239302537.db2.gz AIROJXQONRIZCY-VIFPVBQESA-N 0 3 293.323 1.360 20 5 CDBDHN COC[C@@H](CCO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223970112 370765679 /nfs/dbraw/zinc/76/56/79/370765679.db2.gz HDCJIHGMMHGRME-ZYHUDNBSSA-N 0 3 268.313 1.643 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1ncc([N+](=O)[O-])cc1F ZINC000420640213 244304946 /nfs/dbraw/zinc/30/49/46/244304946.db2.gz SQLPXICCHOUNLW-SECBINFHSA-N 0 3 268.292 1.659 20 5 CDBDHN C[C@@]1(O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269637981 373244010 /nfs/dbraw/zinc/24/40/10/373244010.db2.gz HYOSVBUZWVVLDA-CHWSQXEVSA-N 0 3 266.297 1.085 20 5 CDBDHN C[C@@H](O)CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000130722526 373480130 /nfs/dbraw/zinc/48/01/30/373480130.db2.gz IMULDOJRGPWTPR-OKPNEXGHSA-N 0 3 250.298 1.921 20 5 CDBDHN C[C@@H](O)CCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675458 373670114 /nfs/dbraw/zinc/67/01/14/373670114.db2.gz PBKWJDKAPVUJIS-MFKMUULPSA-N 0 3 268.313 1.331 20 5 CDBDHN CCOCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369489408 374355118 /nfs/dbraw/zinc/35/51/18/374355118.db2.gz GAJHSFAUBONJPX-UHFFFAOYSA-N 0 3 268.317 1.465 20 5 CDBDHN C[C@@H](NC[C@@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486332 374386566 /nfs/dbraw/zinc/38/65/66/374386566.db2.gz WIECRKWQPQWHIE-RISCZKNCSA-N 0 3 278.356 1.149 20 5 CDBDHN CC[C@H](NC[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423523851 374387760 /nfs/dbraw/zinc/38/77/60/374387760.db2.gz NUJZHNCRLJXNHQ-KBPBESRZSA-N 0 3 279.340 1.624 20 5 CDBDHN CN(C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081588953 374527679 /nfs/dbraw/zinc/52/76/79/374527679.db2.gz SLAKMXSJFYSREL-UHFFFAOYSA-N 0 3 261.285 1.512 20 5 CDBDHN CCN1C[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000449518945 374816930 /nfs/dbraw/zinc/81/69/30/374816930.db2.gz OZOUPXYVFOQHAD-VUDGCMKMSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCC(C)CC1 ZINC000299374687 375165851 /nfs/dbraw/zinc/16/58/51/375165851.db2.gz SDMGHZMTQUAMIO-NSHDSACASA-N 0 3 294.355 1.773 20 5 CDBDHN Cc1c(CNC(=O)/C=C\CN(C)C)cccc1[N+](=O)[O-] ZINC000493328234 375443743 /nfs/dbraw/zinc/44/37/43/375443743.db2.gz CENQTVDKFITWBC-YVMONPNESA-N 0 3 277.324 1.637 20 5 CDBDHN COc1ccc(NC(=O)[C@H]2CCCCN2)cc1[N+](=O)[O-] ZINC000132496064 375507123 /nfs/dbraw/zinc/50/71/23/375507123.db2.gz IJNGWFXGVMZTSX-SNVBAGLBSA-N 0 3 279.296 1.684 20 5 CDBDHN COC[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000227690380 375590620 /nfs/dbraw/zinc/59/06/20/375590620.db2.gz VDONHHAPARNWNJ-GWCFXTLKSA-N 0 3 268.313 1.907 20 5 CDBDHN CC[C@@H](CO)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000294011956 375623390 /nfs/dbraw/zinc/62/33/90/375623390.db2.gz YFPFIRNIHOHCBL-NSHDSACASA-N 0 3 268.313 1.806 20 5 CDBDHN CC(COC(=O)[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496000876 375700907 /nfs/dbraw/zinc/70/09/07/375700907.db2.gz CRXLMKKHDMJRQT-YUMQZZPRSA-N 0 3 276.289 1.108 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)CC(F)F)c1 ZINC000428639207 247339367 /nfs/dbraw/zinc/33/93/67/247339367.db2.gz HQGATNDYIPXKGB-SECBINFHSA-N 0 3 260.240 1.701 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCOCC3)CC2)cc1 ZINC000266996938 379020764 /nfs/dbraw/zinc/02/07/64/379020764.db2.gz BVQLXYONHNJNAO-UHFFFAOYSA-N 0 3 291.351 1.896 20 5 CDBDHN [NH3+]C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000382454718 412953567 /nfs/dbraw/zinc/95/35/67/412953567.db2.gz PMUHXWGGLOMVJL-VHSXEESVSA-N 0 3 299.352 1.001 20 5 CDBDHN C[C@H]1C[C@@H](CO)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288544584 197108733 /nfs/dbraw/zinc/10/87/33/197108733.db2.gz AEIRTBRVJVZOLO-SLEUVZQESA-N 0 3 294.351 1.721 20 5 CDBDHN COCC[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281750623 195365050 /nfs/dbraw/zinc/36/50/50/195365050.db2.gz VYRZGOHNVCNJHS-NWDGAFQWSA-N 0 3 282.340 1.951 20 5 CDBDHN CO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000451545736 390630940 /nfs/dbraw/zinc/63/09/40/390630940.db2.gz AFZKNVVABYXVFT-LBPRGKRZSA-N 0 3 282.344 1.538 20 5 CDBDHN CN1CCC[C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000520213524 391251767 /nfs/dbraw/zinc/25/17/67/391251767.db2.gz NBCVASIKKLJZGS-JTQLQIEISA-N 0 3 292.339 1.447 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](CO)C2)c1 ZINC000265918131 391653551 /nfs/dbraw/zinc/65/35/51/391653551.db2.gz XPGMPIOUBYXCAF-LLVKDONJSA-N 0 3 266.297 1.288 20 5 CDBDHN C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])N(C)C ZINC000341799245 130037805 /nfs/dbraw/zinc/03/78/05/130037805.db2.gz OBMCAYZVKALJBP-MRVPVSSYSA-N 0 3 266.301 1.056 20 5 CDBDHN C[C@@H]1CSCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000190393535 130098433 /nfs/dbraw/zinc/09/84/33/130098433.db2.gz BSVUZTAYUIDANZ-NSHDSACASA-N 0 3 297.380 1.441 20 5 CDBDHN CC(C)[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353249195 391901102 /nfs/dbraw/zinc/90/11/02/391901102.db2.gz LSWJUUHZHBFGBP-CYBMUJFWSA-N 0 3 277.324 1.463 20 5 CDBDHN CCC[C@@](C)(N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262702420 131252324 /nfs/dbraw/zinc/25/23/24/131252324.db2.gz JJKWHCYIIOQOGQ-CQSZACIVSA-N 0 3 279.340 1.771 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](CN(C)C)C1 ZINC000266504195 131741850 /nfs/dbraw/zinc/74/18/50/131741850.db2.gz BIEZTYPYOLOCND-CHWSQXEVSA-N 0 3 293.367 1.918 20 5 CDBDHN C[C@H]1CNCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420178816 392900654 /nfs/dbraw/zinc/90/06/54/392900654.db2.gz UWKMVXZVYVBRGH-VIFPVBQESA-N 0 3 289.295 1.443 20 5 CDBDHN COc1cc(CN2CC[C@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000489191230 392946282 /nfs/dbraw/zinc/94/62/82/392946282.db2.gz XICDFLNHIYALKJ-OAHLLOKOSA-N 0 3 292.335 1.950 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCn3ccnc3C2)c1 ZINC000494445443 393233264 /nfs/dbraw/zinc/23/32/64/393233264.db2.gz QSQPTKAWYFGPEO-GFCCVEGCSA-N 0 3 272.308 1.896 20 5 CDBDHN COCCNCCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000215527992 140162078 /nfs/dbraw/zinc/16/20/78/140162078.db2.gz CCSPGEZJDQJHTG-UHFFFAOYSA-N 0 3 269.301 1.251 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252667293 140321999 /nfs/dbraw/zinc/32/19/99/140321999.db2.gz IFQSMYHTDFJCBU-LSDHHAIUSA-N 0 3 291.351 1.548 20 5 CDBDHN CC[C@@H](O)[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176240456 148031174 /nfs/dbraw/zinc/03/11/74/148031174.db2.gz XQDSIUAUDVHZIQ-NWDGAFQWSA-N 0 3 282.344 1.417 20 5 CDBDHN C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305769028 149158212 /nfs/dbraw/zinc/15/82/12/149158212.db2.gz VSBNXKPUPPBVPH-BXUZGUMPSA-N 0 3 280.324 1.676 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)CN(C)C ZINC000346158696 153075916 /nfs/dbraw/zinc/07/59/16/153075916.db2.gz KYGAEZGRJIMQJK-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN Cc1c(CNC(=O)N[C@@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000355529002 157101818 /nfs/dbraw/zinc/10/18/18/157101818.db2.gz SBZJNIKRLLNSNY-JTQLQIEISA-N 0 3 294.355 1.653 20 5 CDBDHN COCC1(C)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000358738960 158008954 /nfs/dbraw/zinc/00/89/54/158008954.db2.gz AKADUTZAUFLKPA-UHFFFAOYSA-N 0 3 282.344 1.540 20 5 CDBDHN C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083129 174092852 /nfs/dbraw/zinc/09/28/52/174092852.db2.gz CADCGNUADFRKET-WDEREUQCSA-N 0 3 298.364 1.680 20 5 CDBDHN CCNC(=O)[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676117 174373988 /nfs/dbraw/zinc/37/39/88/174373988.db2.gz HONPAPXINUSWCB-JTQLQIEISA-N 0 3 265.313 1.252 20 5 CDBDHN CC(C)Oc1nc(NCCN(C)C)ccc1[N+](=O)[O-] ZINC000514614310 266017972 /nfs/dbraw/zinc/01/79/72/266017972.db2.gz IYCNOHMNDCYPLM-UHFFFAOYSA-N 0 3 268.317 1.172 20 5 CDBDHN Cc1cc(N2CCNC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000212725129 274708360 /nfs/dbraw/zinc/70/83/60/274708360.db2.gz JKOCMNASGWZSGW-UHFFFAOYSA-N 0 3 250.302 1.486 20 5 CDBDHN C[C@@H](CS(C)(=O)=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000081900812 278292950 /nfs/dbraw/zinc/29/29/50/278292950.db2.gz GYXNHGNPFYDKDU-JTQLQIEISA-N 0 3 286.353 1.160 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCC2(CO)CC2)c(F)c1 ZINC000395940228 280694927 /nfs/dbraw/zinc/69/49/27/280694927.db2.gz JHGIDLQEFWYBFE-UHFFFAOYSA-N 0 3 268.288 1.986 20 5 CDBDHN C[C@H](C(=O)N(C)CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000347983153 289251074 /nfs/dbraw/zinc/25/10/74/289251074.db2.gz ANACDDGXQCTNEW-JTQLQIEISA-N 0 3 297.330 1.857 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)[C@H]1CCCO1 ZINC000449295376 289747820 /nfs/dbraw/zinc/74/78/20/289747820.db2.gz RTVLIAUODPFKCK-UXIGCNINSA-N 0 3 294.351 1.655 20 5 CDBDHN Cc1cc(CNCCc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000417942995 533696755 /nfs/dbraw/zinc/69/67/55/533696755.db2.gz AQTQVPDJAHQGHS-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN CC[C@H]1CCCCN1CCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000157704586 523025173 /nfs/dbraw/zinc/02/51/73/523025173.db2.gz JSOTXEWDAFUKHA-JTQLQIEISA-N 0 3 295.343 1.312 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000161506118 523046567 /nfs/dbraw/zinc/04/65/67/523046567.db2.gz JMUYVUAKEIKWLN-JTQLQIEISA-N 0 3 292.339 1.343 20 5 CDBDHN COCCCN(C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000092657400 536512236 /nfs/dbraw/zinc/51/22/36/536512236.db2.gz MBQDBMDRUOPVEO-UHFFFAOYSA-N 0 3 282.344 1.678 20 5 CDBDHN COCCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000268450012 536879711 /nfs/dbraw/zinc/87/97/11/536879711.db2.gz FOVSRRYIZOWUFB-NSHDSACASA-N 0 3 280.328 1.431 20 5 CDBDHN C[NH+]1CCC(O[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000773548422 575823366 /nfs/dbraw/zinc/82/33/66/575823366.db2.gz BBRSLKGZJXUNTK-UHFFFAOYSA-N 0 3 293.323 1.279 20 5 CDBDHN C[C@@H]1C[C@H](O)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104819 576549210 /nfs/dbraw/zinc/54/92/10/576549210.db2.gz IFVVLRBACUTQTN-ICCXJUOJSA-N 0 3 266.297 1.083 20 5 CDBDHN COC[C@@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749650084 576956786 /nfs/dbraw/zinc/95/67/86/576956786.db2.gz ZHBBJUZVTHFMLS-BXKDBHETSA-N 0 3 254.286 1.253 20 5 CDBDHN CC(COC(=O)c1ccc([C@H]2CCC(=O)N2)cc1)[N+](=O)[O-] ZINC000893044473 618092507 /nfs/dbraw/zinc/09/25/07/618092507.db2.gz JMKKZZLDCWSDAK-BXKDBHETSA-N 0 3 292.291 1.460 20 5 CDBDHN Cc1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000893046684 618097738 /nfs/dbraw/zinc/09/77/38/618097738.db2.gz FTTDQBDNMHYSGT-LURJTMIESA-N 0 3 258.299 1.511 20 5 CDBDHN CC(=O)Nc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000905098857 626619576 /nfs/dbraw/zinc/61/95/76/626619576.db2.gz XATPQXSUIPYPQX-UHFFFAOYSA-N 0 3 251.286 1.054 20 5 CDBDHN C[C@@H](Nc1cc([N+](=O)[O-])c2nccn2c1)[C@H]1CNCCO1 ZINC001170568385 1162946548 /nfs/dbraw/zinc/94/65/48/1162946548.db2.gz OCTGVDQCUURKPM-BXKDBHETSA-N 0 3 291.311 1.031 20 5 CDBDHN CCOc1cc(N[C@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170570417 1162955944 /nfs/dbraw/zinc/95/59/44/1162955944.db2.gz BXDKPAABIDDYAJ-QMTHXVAHSA-N 0 3 295.339 1.782 20 5 CDBDHN C[C@H](Nc1ccc(N(C)C)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170576252 1162992777 /nfs/dbraw/zinc/99/27/77/1162992777.db2.gz ZOHGRWGAGQLIRD-HZMBPMFUSA-N 0 3 294.355 1.450 20 5 CDBDHN Cc1ccc(NC[C@@]2(C)CNCCO2)c([N+](=O)[O-])c1 ZINC001579723683 1172248999 /nfs/dbraw/zinc/24/89/99/1172248999.db2.gz IFOFOHMNDSVVFY-CYBMUJFWSA-N 0 3 265.313 1.694 20 5 CDBDHN CC(COC(=O)c1cnn(-c2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813112569 736722901 /nfs/dbraw/zinc/72/29/01/736722901.db2.gz INTSWYMRLZCTPS-QMMMGPOBSA-N 0 3 294.242 1.228 20 5 CDBDHN O=[N+]([O-])CCN[C@@H](CN1CCCC1)c1ccccc1 ZINC000930195840 736847191 /nfs/dbraw/zinc/84/71/91/736847191.db2.gz UHBNFYPAOXHOPS-AWEZNQCLSA-N 0 3 263.341 1.690 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1-c1cccs1)[N+](=O)[O-] ZINC000813109012 736938924 /nfs/dbraw/zinc/93/89/24/736938924.db2.gz DHCQSLLISQOVFN-MRVPVSSYSA-N 0 3 295.320 1.971 20 5 CDBDHN Cc1c(CNC[C@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000037999913 738499280 /nfs/dbraw/zinc/49/92/80/738499280.db2.gz ZTFGJGFRXTTYKM-LBPRGKRZSA-N 0 3 266.297 1.408 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CSCCN2)n1 ZINC000882729190 738166785 /nfs/dbraw/zinc/16/67/85/738166785.db2.gz VHSVALWDMNKJGH-VIFPVBQESA-N 0 3 268.342 1.415 20 5 CDBDHN CC(COC(=O)c1cccc(Cn2cncn2)c1)[N+](=O)[O-] ZINC000860776074 738567883 /nfs/dbraw/zinc/56/78/83/738567883.db2.gz BEBOVWQGXZKEFC-SNVBAGLBSA-N 0 3 290.279 1.148 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103574 738771623 /nfs/dbraw/zinc/77/16/23/738771623.db2.gz QQZDTOZXOWHAKI-SSDOTTSWSA-N 0 3 284.224 1.425 20 5 CDBDHN CC(=O)c1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)nc1C ZINC000813112140 738847099 /nfs/dbraw/zinc/84/70/99/738847099.db2.gz CHLNIMCYWNUDGZ-SSDOTTSWSA-N 0 3 280.280 1.723 20 5 CDBDHN Cc1oc(-c2cnn(C)c2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109893 738891315 /nfs/dbraw/zinc/89/13/15/738891315.db2.gz XGMPDAGUJIPMHN-ZETCQYMHSA-N 0 3 294.267 1.206 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN[C@H](CO)C1CCC1 ZINC000886274661 739067418 /nfs/dbraw/zinc/06/74/18/739067418.db2.gz YGIANHAAPWNGHP-LLVKDONJSA-N 0 3 251.286 1.240 20 5 CDBDHN CC(COC(=O)c1ccnn1CC1CCC1)[N+](=O)[O-] ZINC000870376279 737655553 /nfs/dbraw/zinc/65/55/53/737655553.db2.gz FRCYHVCLFFVNLM-VIFPVBQESA-N 0 3 267.285 1.505 20 5 CDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813108629 737897036 /nfs/dbraw/zinc/89/70/36/737897036.db2.gz IWHYBLGRLJVIEU-SSDOTTSWSA-N 0 3 284.224 1.425 20 5 CDBDHN CC(COC(=O)c1cnc2n1[C@H](C)CCC2)[N+](=O)[O-] ZINC000845574729 739089825 /nfs/dbraw/zinc/08/98/25/739089825.db2.gz CTFSSROWLPBWAN-BDAKNGLRSA-N 0 3 267.285 1.602 20 5 CDBDHN CN(CCO)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000884825393 739115212 /nfs/dbraw/zinc/11/52/12/739115212.db2.gz USOBQLNWTXWRLU-UHFFFAOYSA-N 0 3 290.323 1.479 20 5 CDBDHN C[C@@H](NC(=O)[C@H](N)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000312443384 899842469 /nfs/dbraw/zinc/84/24/69/899842469.db2.gz WCJSFNZHEXTVIQ-NOZJJQNGSA-N 0 3 277.324 1.899 20 5 CDBDHN CC(C)(C)c1cnc(-n2cnc(CN)c2)c([N+](=O)[O-])c1 ZINC001162296214 922184880 /nfs/dbraw/zinc/18/48/80/922184880.db2.gz AWEJPXDSWHPGQY-UHFFFAOYSA-N 0 3 275.312 1.932 20 5 CDBDHN NCc1ccc2c(n1)N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001168979253 927569046 /nfs/dbraw/zinc/56/90/46/927569046.db2.gz XVJONHHWGNNROZ-BXUZGUMPSA-N 0 3 290.367 1.738 20 5 CDBDHN Cc1ccc(CN)nc1N(C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168963219 927584314 /nfs/dbraw/zinc/58/43/14/927584314.db2.gz OTOOUYJEWAYDJY-WCQYABFASA-N 0 3 278.356 1.730 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ncccn3)CC2)C1 ZINC001169009397 927614386 /nfs/dbraw/zinc/61/43/86/927614386.db2.gz WBROZRMUIMATMQ-QWHCGFSZSA-N 0 3 291.355 1.044 20 5 CDBDHN COC(=O)[C@@]1(C)CCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011973 927617486 /nfs/dbraw/zinc/61/74/86/927617486.db2.gz OCHAYBXDCCZFEC-NQBHXWOUSA-N 0 3 270.329 1.459 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3ncsc3C2)C1 ZINC001169033307 927642235 /nfs/dbraw/zinc/64/22/35/927642235.db2.gz BSXMGTCTBLXWOB-ZJUUUORDSA-N 0 3 267.354 1.947 20 5 CDBDHN C[C@H](N)c1ccn(-c2ncnc(Cl)c2[N+](=O)[O-])n1 ZINC001169227989 927826379 /nfs/dbraw/zinc/82/63/79/927826379.db2.gz JVDDNNGSBZEMLI-YFKPBYRVSA-N 0 3 268.664 1.244 20 5 CDBDHN C[C@H](N)c1ccn(-c2cccc3ncc([N+](=O)[O-])n32)n1 ZINC001169233731 927847873 /nfs/dbraw/zinc/84/78/73/927847873.db2.gz CLHRUIUXYZSCJO-QMMMGPOBSA-N 0 3 272.268 1.448 20 5 CDBDHN COc1cc(CN[C@H](CO)C2CC2)c([N+](=O)[O-])cc1OC ZINC000883002650 930121760 /nfs/dbraw/zinc/12/17/60/930121760.db2.gz LIVFQIYHBCWLOY-LLVKDONJSA-N 0 3 296.323 1.473 20 5 CDBDHN Cc1cc(Cl)nc(N2CCNC3(CC3)C2)c1[N+](=O)[O-] ZINC001158936873 938680740 /nfs/dbraw/zinc/68/07/40/938680740.db2.gz UPYXEZPKNJPOJU-UHFFFAOYSA-N 0 3 282.731 1.894 20 5 CDBDHN C[C@H](Nc1nccc(Cl)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159489734 938732050 /nfs/dbraw/zinc/73/20/50/938732050.db2.gz RBDKFCQRVUIMCN-IONNQARKSA-N 0 3 286.719 1.432 20 5 CDBDHN COc1nc(N[C@]2(C)CCCN(C)C2)ncc1[N+](=O)[O-] ZINC001162330760 939025520 /nfs/dbraw/zinc/02/55/20/939025520.db2.gz IWTUDMQUKQZZJN-GFCCVEGCSA-N 0 3 281.316 1.290 20 5 CDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(-n2ncc3c2CCNC3)n1 ZINC001165218973 939526326 /nfs/dbraw/zinc/52/63/26/939526326.db2.gz UEUAFCJZPKLWRE-UHFFFAOYSA-N 0 3 294.702 1.178 20 5 CDBDHN COC(=O)c1cc(CO[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC001223689431 941691209 /nfs/dbraw/zinc/69/12/09/941691209.db2.gz ZWKSBPMVSBGMCS-ZDUSSCGKSA-N 0 3 294.307 1.602 20 5 CDBDHN CCN1CC[C@H](Oc2nccc(C)c2[N+](=O)[O-])C1 ZINC001226115624 941953109 /nfs/dbraw/zinc/95/31/09/941953109.db2.gz GFVYUPVTGSQRJO-JTQLQIEISA-N 0 3 251.286 1.771 20 5 CDBDHN CCN1CCC[C@@H](Oc2cc(OC)c([N+](=O)[O-])cn2)C1 ZINC001226581063 942030039 /nfs/dbraw/zinc/03/00/39/942030039.db2.gz KEAQRHRTWCPWQQ-SNVBAGLBSA-N 0 3 281.312 1.862 20 5 CDBDHN CCN1CC[C@H](Oc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001229044412 942412091 /nfs/dbraw/zinc/41/20/91/942412091.db2.gz HBQNSQGSQLIIOX-JTQLQIEISA-N 0 3 294.307 1.854 20 5 CDBDHN Nc1cc(N[C@@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC001336495698 960367752 /nfs/dbraw/zinc/36/77/52/960367752.db2.gz RPRMIJGVSMTIDE-MRVPVSSYSA-N 0 3 263.301 1.221 20 5 CDBDHN Cc1ccc(NCCN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599200106 343979720 /nfs/dbraw/zinc/97/97/20/343979720.db2.gz WTHGBIPUSGGOLC-NSHDSACASA-N 0 3 265.313 1.382 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CCN(C)[C@H]3C2)n1 ZINC000590719166 342585907 /nfs/dbraw/zinc/58/59/07/342585907.db2.gz ZVLRXPKDEZFQTR-PWSUYJOCSA-N 0 3 262.313 1.439 20 5 CDBDHN COc1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1[N+](=O)[O-] ZINC000591686537 342643267 /nfs/dbraw/zinc/64/32/67/342643267.db2.gz TYZUTZBCTBCEAC-NSHDSACASA-N 0 3 279.296 1.540 20 5 CDBDHN CCCN(CCN1CCCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588766224 342221141 /nfs/dbraw/zinc/22/11/41/342221141.db2.gz VRIVKUQUPPTMKM-UHFFFAOYSA-N 0 3 295.343 1.266 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1COCCN1)CCC2 ZINC000600707691 342243257 /nfs/dbraw/zinc/24/32/57/342243257.db2.gz ACVNCAAGWGEEPX-SWLSCSKDSA-N 0 3 291.351 1.550 20 5 CDBDHN C[C@H](NC[C@@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712230 342243800 /nfs/dbraw/zinc/24/38/00/342243800.db2.gz VCUKMKAEWPNIKE-CMPLNLGQSA-N 0 3 265.313 1.234 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000079768022 342232777 /nfs/dbraw/zinc/23/27/77/342232777.db2.gz MHRWQIDGALHEQH-AWEZNQCLSA-N 0 3 280.324 1.676 20 5 CDBDHN Cc1cc(N2CCCN(C)CC2)ncc1[N+](=O)[O-] ZINC000074725113 342303511 /nfs/dbraw/zinc/30/35/11/342303511.db2.gz DEMPOQLTJKWBBL-UHFFFAOYSA-N 0 3 250.302 1.440 20 5 CDBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC/C=C\CO ZINC000595073136 343002431 /nfs/dbraw/zinc/00/24/31/343002431.db2.gz SGOHTUBRIJDOIT-QUCGXOGASA-N 0 3 293.323 1.450 20 5 CDBDHN C[C@@H](CO)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000595674541 343128727 /nfs/dbraw/zinc/12/87/27/343128727.db2.gz LERDUMWFLUYKEZ-WCQYABFASA-N 0 3 282.344 1.274 20 5 CDBDHN CN(CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CC1 ZINC000596087234 343233094 /nfs/dbraw/zinc/23/30/94/343233094.db2.gz HQXGLSGKXXZBNQ-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC000596147432 343244177 /nfs/dbraw/zinc/24/41/77/343244177.db2.gz WYZWOTHNRQFWAQ-MWLCHTKSSA-N 0 3 292.339 1.588 20 5 CDBDHN CCN[C@@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602462772 344440036 /nfs/dbraw/zinc/44/00/36/344440036.db2.gz QYNPQDLVSXMGCT-JTQLQIEISA-N 0 3 279.340 1.944 20 5 CDBDHN CCO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842180 344621973 /nfs/dbraw/zinc/62/19/73/344621973.db2.gz QQQBVYIJACCKCD-YPMHNXCESA-N 0 3 296.371 1.847 20 5 CDBDHN CO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842134 344622225 /nfs/dbraw/zinc/62/22/25/344622225.db2.gz QHZZDMWNSIAYMV-JQWIXIFHSA-N 0 3 282.344 1.457 20 5 CDBDHN O=[N+]([O-])c1cc(F)c(NC[C@@H]2CSCCN2)c(F)c1 ZINC000603419384 344807847 /nfs/dbraw/zinc/80/78/47/344807847.db2.gz NEWSSQJEUXZMRZ-SSDOTTSWSA-N 0 3 289.307 1.990 20 5 CDBDHN O=C(NC1CCN(C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000029091507 345984424 /nfs/dbraw/zinc/98/44/24/345984424.db2.gz RACFLFAUSVLRDI-UHFFFAOYSA-N 0 3 289.335 1.951 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CN ZINC000085810192 179177399 /nfs/dbraw/zinc/17/73/99/179177399.db2.gz QJUHXHXCPMQYKE-UHFFFAOYSA-N 0 3 274.280 1.644 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H](O)CN2CCCCC2)cn1 ZINC000344441204 362778087 /nfs/dbraw/zinc/77/80/87/362778087.db2.gz VSFZJBWRBIHQBF-GFCCVEGCSA-N 0 3 280.328 1.249 20 5 CDBDHN O=C(NCCN1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344459764 362789902 /nfs/dbraw/zinc/78/99/02/362789902.db2.gz MRVZBDHQLBJJSZ-UHFFFAOYSA-N 0 3 281.287 1.560 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C)CC1 ZINC000063465285 348924010 /nfs/dbraw/zinc/92/40/10/348924010.db2.gz UTXZAAWMTXIGDW-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)C2)c1 ZINC000266085697 362938461 /nfs/dbraw/zinc/93/84/61/362938461.db2.gz OOAMMNQUCFNYPY-NSHDSACASA-N 0 3 277.324 1.585 20 5 CDBDHN COc1ccc(CNC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000106468327 186119604 /nfs/dbraw/zinc/11/96/04/186119604.db2.gz IKVFSIUZZYHOMZ-GFCCVEGCSA-N 0 3 279.340 1.787 20 5 CDBDHN COC1(CNCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000123180730 187076073 /nfs/dbraw/zinc/07/60/73/187076073.db2.gz WHDADMPWUZRECY-UHFFFAOYSA-N 0 3 280.324 1.880 20 5 CDBDHN C[C@H](CN1CCOCC1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000271598246 191233352 /nfs/dbraw/zinc/23/33/52/191233352.db2.gz HHPGHKJDELBGNX-CYBMUJFWSA-N 0 3 293.367 1.747 20 5 CDBDHN CCOc1ccc([C@H](C)NC[C@@H](O)COC)cc1[N+](=O)[O-] ZINC000153857269 188108256 /nfs/dbraw/zinc/10/82/56/188108256.db2.gz RFXVBXQSBOKIPR-CMPLNLGQSA-N 0 3 298.339 1.651 20 5 CDBDHN Cc1ccc(N2C[C@H](O)[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC000292380606 198265937 /nfs/dbraw/zinc/26/59/37/198265937.db2.gz QCVDRZWQQMDKKH-STQMWFEESA-N 0 3 265.313 1.014 20 5 CDBDHN Cc1cnn(C)c1CNCCc1ccccc1[N+](=O)[O-] ZINC000286395337 356285767 /nfs/dbraw/zinc/28/57/67/356285767.db2.gz HCRCDKJGTQOKCR-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN CC[C@@H](N[C@@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233897923 356414371 /nfs/dbraw/zinc/41/43/71/356414371.db2.gz GTRQTUVPCDAPDC-WCQYABFASA-N 0 3 268.313 1.643 20 5 CDBDHN CN1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000560700779 357012514 /nfs/dbraw/zinc/01/25/14/357012514.db2.gz KKMBCWNIOPDUSL-UHFFFAOYSA-N 0 3 290.323 1.874 20 5 CDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccnc1 ZINC000181656142 357371996 /nfs/dbraw/zinc/37/19/96/357371996.db2.gz QEOBDFDPVJZIMB-LLVKDONJSA-N 0 3 288.307 1.502 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000287219234 358272943 /nfs/dbraw/zinc/27/29/43/358272943.db2.gz OJFUOGXSFVWHJK-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN C[C@H]1CCNC(=O)[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000193632536 358311088 /nfs/dbraw/zinc/31/10/88/358311088.db2.gz UNJOXUJOIBWXSW-GXFFZTMASA-N 0 3 293.323 1.088 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](CO)[C@H](C)C1 ZINC000361658706 358408244 /nfs/dbraw/zinc/40/82/44/358408244.db2.gz GHIKOVGPLZZBOO-DGCLKSJQSA-N 0 3 264.325 1.963 20 5 CDBDHN CCN(C)CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194704356 358388708 /nfs/dbraw/zinc/38/87/08/358388708.db2.gz HMMIRLQUCCTNKQ-UHFFFAOYSA-N 0 3 265.313 1.585 20 5 CDBDHN Cc1cc(NC[C@H](C)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000264840919 358725662 /nfs/dbraw/zinc/72/56/62/358725662.db2.gz JVHFGMZGFIQGRD-ZDUSSCGKSA-N 0 3 292.383 1.951 20 5 CDBDHN CNC(=O)C(C)(C)CNCc1csc([N+](=O)[O-])c1 ZINC000120324356 358742181 /nfs/dbraw/zinc/74/21/81/358742181.db2.gz SZGZPRTYUSTLHD-UHFFFAOYSA-N 0 3 271.342 1.518 20 5 CDBDHN CCN(CCNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000230873328 358796862 /nfs/dbraw/zinc/79/68/62/358796862.db2.gz QUHXRYPSWTYGKJ-UHFFFAOYSA-N 0 3 251.290 1.281 20 5 CDBDHN CN(C)CCNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000101665382 358857701 /nfs/dbraw/zinc/85/77/01/358857701.db2.gz OGOPKDOOLDTSHR-UHFFFAOYSA-N 0 3 294.355 1.465 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](N2CCCC2)C1 ZINC000072013047 359006671 /nfs/dbraw/zinc/00/66/71/359006671.db2.gz HYTWVASIRRPZNO-LLVKDONJSA-N 0 3 293.323 1.888 20 5 CDBDHN CC[C@H]1CN(CCNCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000487152852 359369778 /nfs/dbraw/zinc/36/97/78/359369778.db2.gz GCFRKGNDRFITOL-HNNXBMFYSA-N 0 3 293.367 1.795 20 5 CDBDHN Cn1cnc(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000571345201 359567143 /nfs/dbraw/zinc/56/71/43/359567143.db2.gz ORZKJMBNWXHUHA-LBPRGKRZSA-N 0 3 287.323 1.543 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)O ZINC000265164280 359827677 /nfs/dbraw/zinc/82/76/77/359827677.db2.gz WTIZTTYCQIJLJW-UHFFFAOYSA-N 0 3 268.313 1.676 20 5 CDBDHN CO[C@]1(CNCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000122938657 360519604 /nfs/dbraw/zinc/51/96/04/360519604.db2.gz VSTFKVWNHYBYGR-ZDUSSCGKSA-N 0 3 266.297 1.490 20 5 CDBDHN CCN(CCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000178191361 189096735 /nfs/dbraw/zinc/09/67/35/189096735.db2.gz AFDGQZJGAHRTLY-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN C[C@H]1C[C@@H](O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000340911486 363781547 /nfs/dbraw/zinc/78/15/47/363781547.db2.gz FLPSPZJWNRCQNO-WDEREUQCSA-N 0 3 266.297 1.429 20 5 CDBDHN CN(C)CCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291635494 239213490 /nfs/dbraw/zinc/21/34/90/239213490.db2.gz LWIVMKVCIZJPTJ-UHFFFAOYSA-N 0 3 261.281 1.471 20 5 CDBDHN C[C@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000249497694 364756829 /nfs/dbraw/zinc/75/68/29/364756829.db2.gz HICNIBWNEDJRGQ-OLZOCXBDSA-N 0 3 293.367 1.482 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNCC1(C)COC1 ZINC000094722280 366882987 /nfs/dbraw/zinc/88/29/87/366882987.db2.gz RFESESBUCCLFHB-UHFFFAOYSA-N 0 3 266.297 1.730 20 5 CDBDHN CN(C)C/C=C/C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270793333 366932029 /nfs/dbraw/zinc/93/20/29/366932029.db2.gz URNFPRZHMIGMSS-QPJJXVBHSA-N 0 3 277.324 1.371 20 5 CDBDHN CC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270826093 366935221 /nfs/dbraw/zinc/93/52/21/366935221.db2.gz BXUGDUWGALDCKB-SMDDNHRTSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H](NC(=O)/C=C/CN(C)C)c1ccccc1[N+](=O)[O-] ZINC000272087674 367082072 /nfs/dbraw/zinc/08/20/72/367082072.db2.gz IMXNDBRNDDHWCB-OALRPVAKSA-N 0 3 277.324 1.890 20 5 CDBDHN CCc1n[nH]c(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000330688193 203120124 /nfs/dbraw/zinc/12/01/24/203120124.db2.gz WSQASSVDXLUTBJ-UHFFFAOYSA-N 0 3 295.343 1.048 20 5 CDBDHN CCc1[nH]nc(C(=O)N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000330688193 203120127 /nfs/dbraw/zinc/12/01/27/203120127.db2.gz WSQASSVDXLUTBJ-UHFFFAOYSA-N 0 3 295.343 1.048 20 5 CDBDHN Cc1nn(C)c(N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420633455 244299715 /nfs/dbraw/zinc/29/97/15/244299715.db2.gz JEKKEBTXJLLTJF-JTQLQIEISA-N 0 3 267.333 1.167 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCN1C ZINC000330888255 203356246 /nfs/dbraw/zinc/35/62/46/203356246.db2.gz GDGBOWNOUGOZBW-DGCLKSJQSA-N 0 3 291.351 1.736 20 5 CDBDHN NC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000037668469 369783351 /nfs/dbraw/zinc/78/33/51/369783351.db2.gz MWUNPFRNUSHNGX-UHFFFAOYSA-N 0 3 277.324 1.873 20 5 CDBDHN CCCN[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295748629 370619291 /nfs/dbraw/zinc/61/92/91/370619291.db2.gz PIXAVGFQXVEUKO-SNVBAGLBSA-N 0 3 277.324 1.872 20 5 CDBDHN CCn1cc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)cn1 ZINC000296012738 371203565 /nfs/dbraw/zinc/20/35/65/371203565.db2.gz LHVRHLODLOUJRF-SNVBAGLBSA-N 0 3 278.316 1.359 20 5 CDBDHN CCN(C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000112926327 284333272 /nfs/dbraw/zinc/33/32/72/284333272.db2.gz GYKHWQZKGLKVAV-UHFFFAOYSA-N 0 3 297.380 1.755 20 5 CDBDHN CN(Cc1cccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266421748 372781692 /nfs/dbraw/zinc/78/16/92/372781692.db2.gz ITSUEIXAMPRCDF-NSHDSACASA-N 0 3 296.352 1.346 20 5 CDBDHN CCN(CCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000266584016 374086546 /nfs/dbraw/zinc/08/65/46/374086546.db2.gz SGMYUGDKEQMSKG-UHFFFAOYSA-N 0 3 268.313 1.678 20 5 CDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCNC[C@@H]1F ZINC001580570147 1172470050 /nfs/dbraw/zinc/47/00/50/1172470050.db2.gz OIZGMVPNUSMZEI-QWRGUYRKSA-N 0 3 299.277 1.093 20 5 CDBDHN CC(C)[C@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000332669049 375043498 /nfs/dbraw/zinc/04/34/98/375043498.db2.gz QHIIHOHCHBLQSG-SNVBAGLBSA-N 0 3 252.318 1.949 20 5 CDBDHN Cc1n[nH]c(C(=O)N[C@@H](C)CN2CCCCC2)c1[N+](=O)[O-] ZINC000299573562 375182277 /nfs/dbraw/zinc/18/22/77/375182277.db2.gz WFCJKEVIACTVDZ-VIFPVBQESA-N 0 3 295.343 1.231 20 5 CDBDHN CCC[C@@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849566 375126371 /nfs/dbraw/zinc/12/63/71/375126371.db2.gz BDSGBXZFISGMJJ-MWLCHTKSSA-N 0 3 267.329 1.989 20 5 CDBDHN NC(C(=O)NCCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000352946209 375555480 /nfs/dbraw/zinc/55/54/80/375555480.db2.gz PMMXIFHOSVTFDE-VIFPVBQESA-N 0 3 291.229 1.143 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)C2CC2)c(F)c1 ZINC000353069181 375574433 /nfs/dbraw/zinc/57/44/33/375574433.db2.gz FKMZTFISCSCCCF-NSHDSACASA-N 0 3 268.288 1.842 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354584681 375729035 /nfs/dbraw/zinc/72/90/35/375729035.db2.gz ZDDFJAYYWYSRDJ-NSHDSACASA-N 0 3 293.367 1.939 20 5 CDBDHN CN(c1ccccc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000357615252 375921899 /nfs/dbraw/zinc/92/18/99/375921899.db2.gz UPQNWTONZXRGNO-UHFFFAOYSA-N 0 3 279.340 1.488 20 5 CDBDHN COc1ccc(CNC[C@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000188857809 377097339 /nfs/dbraw/zinc/09/73/39/377097339.db2.gz MGYJPAHNCZBRGA-CMPLNLGQSA-N 0 3 280.324 1.854 20 5 CDBDHN COc1ccc(CNCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000405375705 377242119 /nfs/dbraw/zinc/24/21/19/377242119.db2.gz GGXGAGYVQLIGSW-UHFFFAOYSA-N 0 3 293.323 1.315 20 5 CDBDHN COCC[C@@](C)(O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000172072525 377244656 /nfs/dbraw/zinc/24/46/56/377244656.db2.gz CUPCMJKZQHCOID-CQSZACIVSA-N 0 3 282.340 1.780 20 5 CDBDHN CN(C)C1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCC1 ZINC000438515503 249610707 /nfs/dbraw/zinc/61/07/07/249610707.db2.gz MOLWRBOJMDIWEP-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2CCO)c1 ZINC000174855288 379592491 /nfs/dbraw/zinc/59/24/91/379592491.db2.gz HZSNBKSJGBQXSH-NSHDSACASA-N 0 3 268.317 1.028 20 5 CDBDHN CCO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872498 379601655 /nfs/dbraw/zinc/60/16/55/379601655.db2.gz MBDKXEFOGFJODJ-OLZOCXBDSA-N 0 3 296.371 1.927 20 5 CDBDHN C[C@@H](O)[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000267036256 379604400 /nfs/dbraw/zinc/60/44/00/379604400.db2.gz CEGCWWQPIDATTI-GHMZBOCLSA-N 0 3 268.317 1.027 20 5 CDBDHN CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000280969968 195051635 /nfs/dbraw/zinc/05/16/35/195051635.db2.gz ACPYPOJYFBNMIK-UHFFFAOYSA-N 0 3 267.285 1.402 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287248142 196814835 /nfs/dbraw/zinc/81/48/35/196814835.db2.gz QRQRSWUJUXESSM-VIFPVBQESA-N 0 3 290.323 1.756 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCC2(CO)CC2)c1 ZINC000395918533 390665781 /nfs/dbraw/zinc/66/57/81/390665781.db2.gz DKCCINGEZWUPRC-UHFFFAOYSA-N 0 3 250.298 1.847 20 5 CDBDHN CCNC(=O)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344878935 391294643 /nfs/dbraw/zinc/29/46/43/391294643.db2.gz VTYSWULAZYHQQK-XFFZJAGNSA-N 0 3 277.324 1.724 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134273139 391419667 /nfs/dbraw/zinc/41/96/67/391419667.db2.gz LYIVQJLBHRUYGJ-UHFFFAOYSA-N 0 3 295.314 1.902 20 5 CDBDHN C[C@]1(F)CNCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000414772978 391667523 /nfs/dbraw/zinc/66/75/23/391667523.db2.gz VZXJCVOYEMXZGK-ZDUSSCGKSA-N 0 3 267.304 1.728 20 5 CDBDHN COCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000054353680 391830208 /nfs/dbraw/zinc/83/02/08/391830208.db2.gz HXQOIVFRPXWPLL-UHFFFAOYSA-N 0 3 295.339 1.810 20 5 CDBDHN C[C@@H]1[C@H](O)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000590762149 391922576 /nfs/dbraw/zinc/92/25/76/391922576.db2.gz ICOKMMWQPUGKNG-ZWNOBZJWSA-N 0 3 250.298 1.592 20 5 CDBDHN CC(C)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1C ZINC000487998536 391942531 /nfs/dbraw/zinc/94/25/31/391942531.db2.gz IJKZYEPBWXXVGJ-GFCCVEGCSA-N 0 3 281.360 1.063 20 5 CDBDHN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000272654796 392184012 /nfs/dbraw/zinc/18/40/12/392184012.db2.gz BARRVQWBJMNHRY-NSHDSACASA-N 0 3 289.335 1.975 20 5 CDBDHN CNCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000237221381 131014801 /nfs/dbraw/zinc/01/48/01/131014801.db2.gz DELQNAHENSEZKJ-UHFFFAOYSA-N 0 3 265.313 1.253 20 5 CDBDHN C[C@@H]1NCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262818665 131264394 /nfs/dbraw/zinc/26/43/94/131264394.db2.gz SDWKOGXBYDWYPB-QWRGUYRKSA-N 0 3 293.323 1.182 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000262840762 131266577 /nfs/dbraw/zinc/26/65/77/131266577.db2.gz RFRNKBGSPNCRAA-JGVFFNPUSA-N 0 3 253.258 1.010 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000525103794 392920745 /nfs/dbraw/zinc/92/07/45/392920745.db2.gz QXIMAYQOKBCRQL-ZJUUUORDSA-N 0 3 280.328 1.146 20 5 CDBDHN C[C@H](NC(=O)/C=C\CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000493713386 393218985 /nfs/dbraw/zinc/21/89/85/393218985.db2.gz GYNUPAOIVHNJEF-WYGGZMRJSA-N 0 3 277.324 1.890 20 5 CDBDHN Cc1c(CNC(=O)[C@@H](N)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000231855896 140219517 /nfs/dbraw/zinc/21/95/17/140219517.db2.gz UQNMVJKKFTTZAC-GFCCVEGCSA-N 0 3 279.340 1.893 20 5 CDBDHN O=[N+]([O-])c1ccccc1N1CCN(C2CCOCC2)CC1 ZINC000377945382 296514675 /nfs/dbraw/zinc/51/46/75/296514675.db2.gz JOFIEGUYEVQDFZ-UHFFFAOYSA-N 0 3 291.351 1.896 20 5 CDBDHN CCOC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244503 148030792 /nfs/dbraw/zinc/03/07/92/148030792.db2.gz KULAULUMFGQBON-LBPRGKRZSA-N 0 3 282.344 1.540 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000343064009 152017687 /nfs/dbraw/zinc/01/76/87/152017687.db2.gz XBAWSWKWFDJPJH-UHFFFAOYSA-N 0 3 283.332 1.040 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000343064009 152017689 /nfs/dbraw/zinc/01/76/89/152017689.db2.gz XBAWSWKWFDJPJH-UHFFFAOYSA-N 0 3 283.332 1.040 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 ZINC000344035331 152397456 /nfs/dbraw/zinc/39/74/56/152397456.db2.gz RQTHRSFYZGEZFK-CQDKDKBSSA-N 0 3 292.335 1.676 20 5 CDBDHN C[C@H]1CCN(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000353995273 156211044 /nfs/dbraw/zinc/21/10/44/156211044.db2.gz HCQOOEMTUMBDFD-LBPRGKRZSA-N 0 3 291.351 1.690 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038060681 174071486 /nfs/dbraw/zinc/07/14/86/174071486.db2.gz SHMTVRIEENEFSZ-AAEUAGOBSA-N 0 3 280.324 1.969 20 5 CDBDHN CCNCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044649648 175224238 /nfs/dbraw/zinc/22/42/38/175224238.db2.gz UVPIGCCSWQKRGO-SECBINFHSA-N 0 3 251.286 1.382 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCN1C ZINC000420593441 274394692 /nfs/dbraw/zinc/39/46/92/274394692.db2.gz BWEMLTARKDDWEV-ZJUUUORDSA-N 0 3 292.339 1.588 20 5 CDBDHN Cc1cc(N2CCNC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000420218009 274708923 /nfs/dbraw/zinc/70/89/23/274708923.db2.gz KOFJLUZUFDUYOT-VIFPVBQESA-N 0 3 253.277 1.840 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCCN3CCC[C@@H]3C2)s1 ZINC000367155060 275040844 /nfs/dbraw/zinc/04/08/44/275040844.db2.gz ZVULRAINDACEJY-SECBINFHSA-N 0 3 268.342 1.726 20 5 CDBDHN CCN1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000267194699 276165110 /nfs/dbraw/zinc/16/51/10/276165110.db2.gz HZNFFHXWKAMGCW-UHFFFAOYSA-N 0 3 292.339 1.226 20 5 CDBDHN COCC[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000281114909 277235529 /nfs/dbraw/zinc/23/55/29/277235529.db2.gz ADXTYJWDBVZDQN-JQWIXIFHSA-N 0 3 268.313 1.643 20 5 CDBDHN C[C@@H](NC[C@@]1(C)CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000453418674 277622196 /nfs/dbraw/zinc/62/21/96/277622196.db2.gz YQIRXOGIQVWHKN-QMTHXVAHSA-N 0 3 277.324 1.914 20 5 CDBDHN C[C@@H](CN1CCCCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000029623926 278254269 /nfs/dbraw/zinc/25/42/69/278254269.db2.gz IHDXZSPOMBTKKW-JTQLQIEISA-N 0 3 267.333 1.615 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000090551669 279279273 /nfs/dbraw/zinc/27/92/73/279279273.db2.gz SVCGOLMPXGARML-GHMZBOCLSA-N 0 3 265.313 1.487 20 5 CDBDHN Cc1c(NC(=O)N2CCCNCC2)cccc1[N+](=O)[O-] ZINC000332246494 280243089 /nfs/dbraw/zinc/24/30/89/280243089.db2.gz BIUHUFLGNNGYMR-UHFFFAOYSA-N 0 3 278.312 1.730 20 5 CDBDHN COCC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000570420126 294236667 /nfs/dbraw/zinc/23/66/67/294236667.db2.gz SUJNWWHOHFRIEI-UHFFFAOYSA-N 0 3 280.324 1.880 20 5 CDBDHN C[C@H](C(=O)NCCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184737766 323371720 /nfs/dbraw/zinc/37/17/20/323371720.db2.gz UMWLUXRZLGKNKY-VIFPVBQESA-N 0 3 283.303 1.515 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H]1COCCO1 ZINC000580095140 324371071 /nfs/dbraw/zinc/37/10/71/324371071.db2.gz JDPKKCSYUHNSCO-ZWNOBZJWSA-N 0 3 278.308 1.587 20 5 CDBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168966590 1161995781 /nfs/dbraw/zinc/99/57/81/1161995781.db2.gz JPJNNALBVSIREE-WCQYABFASA-N 0 3 262.309 1.904 20 5 CDBDHN CCC(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114600 617349190 /nfs/dbraw/zinc/34/91/90/617349190.db2.gz UCYAJBFBEDEZAE-VIFPVBQESA-N 0 3 280.280 1.857 20 5 CDBDHN CC(COC(=O)c1ocnc1C(F)(F)F)[N+](=O)[O-] ZINC000893044391 618091005 /nfs/dbraw/zinc/09/10/05/618091005.db2.gz IFYFGHQITISVKW-SCSAIBSYSA-N 0 3 268.147 1.515 20 5 CDBDHN CCc1ccc(CC(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000893048217 618100122 /nfs/dbraw/zinc/10/01/22/618100122.db2.gz SLYCAFVZZFLDMI-SECBINFHSA-N 0 3 252.270 1.395 20 5 CDBDHN CN1C[C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893938222 618200359 /nfs/dbraw/zinc/20/03/59/618200359.db2.gz CIZJBCQRTWCXRB-KCJUWKMLSA-N 0 3 282.731 1.784 20 5 CDBDHN CCC[C@H](NCC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905360382 626769911 /nfs/dbraw/zinc/76/99/11/626769911.db2.gz MZWMNPDKYJHBMM-QWHCGFSZSA-N 0 3 252.314 1.755 20 5 CDBDHN C[C@H](O)[C@@](C)(CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905366030 626785422 /nfs/dbraw/zinc/78/54/22/626785422.db2.gz SCVWGDJELLLTFB-GXTWGEPZSA-N 0 3 266.341 1.483 20 5 CDBDHN Cc1c(F)cnc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170564324 1162929249 /nfs/dbraw/zinc/92/92/49/1162929249.db2.gz PWPQHAQZMQHNCC-SCZZXKLOSA-N 0 3 284.291 1.226 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CC2)cc1F ZINC000801539192 739830651 /nfs/dbraw/zinc/83/06/51/739830651.db2.gz CQVXGMUBRIFJMJ-NSHDSACASA-N 0 3 254.261 1.594 20 5 CDBDHN CC(COC(=O)Cn1ccc2ccccc2c1=O)[N+](=O)[O-] ZINC000813112482 739969115 /nfs/dbraw/zinc/96/91/15/739969115.db2.gz QPRWUXNVUOYZED-JTQLQIEISA-N 0 3 290.275 1.210 20 5 CDBDHN Cc1c([C@@H](C)NCCN2CCNC2=O)cccc1[N+](=O)[O-] ZINC000886743043 740094295 /nfs/dbraw/zinc/09/42/95/740094295.db2.gz RQUNCICVXZTKBI-LLVKDONJSA-N 0 3 292.339 1.579 20 5 CDBDHN CO[C@H](C)CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796642020 740059270 /nfs/dbraw/zinc/05/92/70/740059270.db2.gz WFMOGVMOZCJAKQ-MFKMUULPSA-N 0 3 268.313 1.595 20 5 CDBDHN CC(C)Cn1nccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000842801281 740230340 /nfs/dbraw/zinc/23/03/40/740230340.db2.gz FIBKCGZMTKFSHZ-VIFPVBQESA-N 0 3 255.274 1.361 20 5 CDBDHN CC(COC(=O)c1cc(C(F)(F)F)nn1C)[N+](=O)[O-] ZINC000835453861 740315251 /nfs/dbraw/zinc/31/52/51/740315251.db2.gz HMBYAHXAEUYYRN-YFKPBYRVSA-N 0 3 281.190 1.261 20 5 CDBDHN C[C@@H](CN1CCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000036932580 740493368 /nfs/dbraw/zinc/49/33/68/740493368.db2.gz GIAXIRQPSYMGSM-LBPRGKRZSA-N 0 3 279.340 1.405 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2C=C[C@H](CO)C2)c1 ZINC000843079935 740922368 /nfs/dbraw/zinc/92/23/68/740922368.db2.gz NXJKNFRWHJBKHX-SUHUHFCYSA-N 0 3 278.308 1.155 20 5 CDBDHN CC[C@@H](CO)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000931771489 740980689 /nfs/dbraw/zinc/98/06/89/740980689.db2.gz KVPKXQYNMCOMOG-GWCFXTLKSA-N 0 3 293.323 1.061 20 5 CDBDHN CC1([NH+]2CCC2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000882962027 741117820 /nfs/dbraw/zinc/11/78/20/741117820.db2.gz DZQQVYIBESSHPM-UHFFFAOYSA-N 0 3 292.339 1.760 20 5 CDBDHN Cc1cccc2c1O[C@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000835455742 742031806 /nfs/dbraw/zinc/03/18/06/742031806.db2.gz OLUXTJCFIVUFSQ-KOLCDFICSA-N 0 3 265.265 1.507 20 5 CDBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1cnnn1C ZINC000866359189 742213101 /nfs/dbraw/zinc/21/31/01/742213101.db2.gz OEGQEHPLWORLQC-VIFPVBQESA-N 0 3 293.302 1.583 20 5 CDBDHN O=[N+]([O-])c1c(F)nccc1N1CC[C@H](N2CCCC2)C1 ZINC000881907932 742418064 /nfs/dbraw/zinc/41/80/64/742418064.db2.gz IEAVYBMTUBVDKB-JTQLQIEISA-N 0 3 280.303 1.803 20 5 CDBDHN CC(COC(=O)Cc1c[nH]c2ccccc12)[N+](=O)[O-] ZINC000813106270 739749452 /nfs/dbraw/zinc/74/94/52/739749452.db2.gz BUUUXBIPMAHQTF-SECBINFHSA-N 0 3 262.265 1.919 20 5 CDBDHN Cc1noc(CONC(=N)[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000853696711 740875227 /nfs/dbraw/zinc/87/52/27/740875227.db2.gz ACNHLIBOALNFLS-SSDOTTSWSA-N 0 3 270.245 1.069 20 5 CDBDHN C[C@H](NC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000036330956 741123167 /nfs/dbraw/zinc/12/31/67/741123167.db2.gz IFQTUJADPZTBDM-JTQLQIEISA-N 0 3 298.364 1.823 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(NC[C@H]2CNCCO2)c1 ZINC000134270242 741533905 /nfs/dbraw/zinc/53/39/05/741533905.db2.gz SIMKLSXOJUGXJU-SNVBAGLBSA-N 0 3 267.285 1.004 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1ccnc(F)c1[N+](=O)[O-] ZINC000882473774 742381217 /nfs/dbraw/zinc/38/12/17/742381217.db2.gz WAOPQNXSVLUCHL-VIFPVBQESA-N 0 3 268.292 1.659 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1(N)CC1)CC2 ZINC000818608767 742578239 /nfs/dbraw/zinc/57/82/39/742578239.db2.gz MMOQFXJDEDNNSX-UHFFFAOYSA-N 0 3 261.281 1.284 20 5 CDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1cccnc1)[N+](=O)[O-] ZINC000835454971 742830286 /nfs/dbraw/zinc/83/02/86/742830286.db2.gz LRDTXCIFYYRHAB-DVVUODLYSA-N 0 3 250.254 1.394 20 5 CDBDHN NCc1nn(-c2ncc([N+](=O)[O-])cn2)c2ccccc12 ZINC001167693484 898371088 /nfs/dbraw/zinc/37/10/88/898371088.db2.gz PUJMIHIICHVBQG-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1 ZINC001127901970 918985106 /nfs/dbraw/zinc/98/51/06/918985106.db2.gz HFXKOTQOUHOZCL-UHFFFAOYSA-N 0 3 288.307 1.443 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N[C@@H](CO)c2ccccn2)C1 ZINC001168986129 927568022 /nfs/dbraw/zinc/56/80/22/927568022.db2.gz WFZBVUDEPADSNA-WZRBSPASSA-N 0 3 265.313 1.150 20 5 CDBDHN Cc1ccn2c(c1)nnc2CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965298 927587756 /nfs/dbraw/zinc/58/77/56/927587756.db2.gz ZEUZDNWWYREJLW-NWDGAFQWSA-N 0 3 289.339 1.573 20 5 CDBDHN O=C1CC[C@]2(CCCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169044805 927657803 /nfs/dbraw/zinc/65/78/03/927657803.db2.gz IYQWWZJJRLTGOV-BZPMIXESSA-N 0 3 282.340 1.603 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NC[C@@H](O)C(F)(F)F)CNC2 ZINC001169456705 928031418 /nfs/dbraw/zinc/03/14/18/928031418.db2.gz SQAADUAZTNJVBX-SNVBAGLBSA-N 0 3 291.229 1.533 20 5 CDBDHN CN1CCC[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC001157262982 929398223 /nfs/dbraw/zinc/39/82/23/929398223.db2.gz ZMBSUPKRURIZIV-CABZTGNLSA-N 0 3 280.303 1.659 20 5 CDBDHN NCc1cn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC001154906187 937602218 /nfs/dbraw/zinc/60/22/18/937602218.db2.gz DDURVCKEISUPRS-UHFFFAOYSA-N 0 3 288.094 1.941 20 5 CDBDHN C[C@H](N)c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cc1N ZINC001155259072 937654420 /nfs/dbraw/zinc/65/44/20/937654420.db2.gz VLFXCIJPRRWZLM-QMMMGPOBSA-N 0 3 298.306 1.931 20 5 CDBDHN CC(COC(=O)C[C@H]1CC(=O)Nc2ccccc21)[N+](=O)[O-] ZINC001123042979 936107064 /nfs/dbraw/zinc/10/70/64/936107064.db2.gz UXJLNDBFSCTNGI-NXEZZACHSA-N 0 3 292.291 1.711 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ncnc3cc([N+](=O)[O-])ccc32)n1 ZINC001158349945 938612048 /nfs/dbraw/zinc/61/20/48/938612048.db2.gz WTCMQGGUDJOFSD-MRVPVSSYSA-N 0 3 284.279 1.743 20 5 CDBDHN NCc1cn(-c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)cn1 ZINC001162298314 938973893 /nfs/dbraw/zinc/97/38/93/938973893.db2.gz DMKKZNPIENMYRH-UHFFFAOYSA-N 0 3 296.290 1.696 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1-n1cnc(CN)c1 ZINC001162301752 938975289 /nfs/dbraw/zinc/97/52/89/938975289.db2.gz DFYFITZGGZEGBE-UHFFFAOYSA-N 0 3 276.252 1.026 20 5 CDBDHN O=[N+]([O-])c1cc(Nc2ccnc(CO)c2)ccc1O ZINC001210394528 940688352 /nfs/dbraw/zinc/68/83/52/940688352.db2.gz XSYUUXFMVGLQSR-UHFFFAOYSA-N 0 3 261.237 1.931 20 5 CDBDHN O=[N+]([O-])c1cc(Nc2cc[nH+]c(CO)c2)ccc1[O-] ZINC001210394528 940688354 /nfs/dbraw/zinc/68/83/54/940688354.db2.gz XSYUUXFMVGLQSR-UHFFFAOYSA-N 0 3 261.237 1.931 20 5 CDBDHN Cc1cc2nc(O[C@@H]3CCC[NH2+]C3)[n-]c2cc1[N+](=O)[O-] ZINC001218283929 941051236 /nfs/dbraw/zinc/05/12/36/941051236.db2.gz LXWBJHAXAYFQCF-SECBINFHSA-N 0 3 276.296 1.910 20 5 CDBDHN Cc1cc2[n-]c(O[C@@H]3CCC[NH2+]C3)nc2cc1[N+](=O)[O-] ZINC001218283929 941051238 /nfs/dbraw/zinc/05/12/38/941051238.db2.gz LXWBJHAXAYFQCF-SECBINFHSA-N 0 3 276.296 1.910 20 5 CDBDHN CCN1CC[C@@H](Oc2nccc(C)c2[N+](=O)[O-])C1 ZINC001226115625 941953087 /nfs/dbraw/zinc/95/30/87/941953087.db2.gz GFVYUPVTGSQRJO-SNVBAGLBSA-N 0 3 251.286 1.771 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333489 941988741 /nfs/dbraw/zinc/98/87/41/941988741.db2.gz KPGKISNMUFPCEV-VIFPVBQESA-O 0 3 255.294 1.774 20 5 CDBDHN CCN1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2C)C1 ZINC001226760629 942064785 /nfs/dbraw/zinc/06/47/85/942064785.db2.gz BWSZTOKZHQXJOJ-LLVKDONJSA-N 0 3 251.286 1.771 20 5 CDBDHN O=[N+]([O-])c1cncnc1OC1CCN(C2CC2)CC1 ZINC001228654717 942349205 /nfs/dbraw/zinc/34/92/05/942349205.db2.gz NCZWKRNBUGOMIH-UHFFFAOYSA-N 0 3 264.285 1.390 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1(C)COC1 ZINC001254537020 947515304 /nfs/dbraw/zinc/51/53/04/947515304.db2.gz VPYXNALAUHEXAB-JTQLQIEISA-N 0 3 250.298 1.904 20 5 CDBDHN Cc1cnc(CN[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254565261 947527098 /nfs/dbraw/zinc/52/70/98/947527098.db2.gz CSTMCMLNSUQKDC-ZDUSSCGKSA-N 0 3 284.319 1.950 20 5 CDBDHN CN(C)C(=O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565216526 365606179 /nfs/dbraw/zinc/60/61/79/365606179.db2.gz KDVXMLYOQPBDII-LBPRGKRZSA-N 0 3 277.324 1.650 20 5 CDBDHN Cn1c(C(=O)NCCN2CCCCC2)ccc1[N+](=O)[O-] ZINC000330568908 365610486 /nfs/dbraw/zinc/61/04/86/365610486.db2.gz LXGRNJNQIRPKRR-UHFFFAOYSA-N 0 3 280.328 1.149 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1cccnc1[N+](=O)[O-] ZINC000591464157 342631277 /nfs/dbraw/zinc/63/12/77/342631277.db2.gz BZSCINMDDSZELM-SNVBAGLBSA-N 0 3 250.302 1.520 20 5 CDBDHN O=C(CNC1CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000154402407 342155805 /nfs/dbraw/zinc/15/58/05/342155805.db2.gz XSQBBWOFXKNNDY-UHFFFAOYSA-N 0 3 275.308 1.232 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCC[C@@]1(O)CCCOC1 ZINC000593690947 342823319 /nfs/dbraw/zinc/82/33/19/342823319.db2.gz BPZSZFGWIBZBHD-AWEZNQCLSA-N 0 3 280.324 1.616 20 5 CDBDHN CN(C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000202037011 342845130 /nfs/dbraw/zinc/84/51/30/342845130.db2.gz NZEFQPMDTJOJEZ-UHFFFAOYSA-N 0 3 276.296 1.368 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@H]1COCCN1 ZINC000600678733 342244112 /nfs/dbraw/zinc/24/41/12/342244112.db2.gz TZSZLEVECXFBAE-DXTPNHAXSA-N 0 3 277.324 1.186 20 5 CDBDHN CC(C)[C@H](N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649356 342931747 /nfs/dbraw/zinc/93/17/47/342931747.db2.gz LNIDUIDSGSNXQG-NSHDSACASA-N 0 3 262.273 1.226 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595746022 343151061 /nfs/dbraw/zinc/15/10/61/343151061.db2.gz ZNYNUANGDDXUEG-AWEZNQCLSA-N 0 3 296.323 1.321 20 5 CDBDHN CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000341015435 365729558 /nfs/dbraw/zinc/72/95/58/365729558.db2.gz QRZZXBTYEQGOBX-WCQYABFASA-N 0 3 250.298 1.798 20 5 CDBDHN C[N@@H+]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596111946 343230405 /nfs/dbraw/zinc/23/04/05/343230405.db2.gz FHXFDJUOZDCQNO-MRVPVSSYSA-N 0 3 252.274 1.059 20 5 CDBDHN C[N@H+]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596111946 343230406 /nfs/dbraw/zinc/23/04/06/343230406.db2.gz FHXFDJUOZDCQNO-MRVPVSSYSA-N 0 3 252.274 1.059 20 5 CDBDHN CS[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1N(C)C ZINC000596177995 343248970 /nfs/dbraw/zinc/24/89/70/343248970.db2.gz KHMDAVBJCQUKSR-VHSXEESVSA-N 0 3 297.384 1.054 20 5 CDBDHN CN1CCCC(C)(C)[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596217898 343269308 /nfs/dbraw/zinc/26/93/08/343269308.db2.gz ZFCVUQLUOSXNLB-NSHDSACASA-N 0 3 293.371 1.526 20 5 CDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000596436707 343321430 /nfs/dbraw/zinc/32/14/30/343321430.db2.gz PBDQHVCNGFDNCV-NSHDSACASA-N 0 3 294.355 1.490 20 5 CDBDHN COc1ccc(CN2C[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000601977606 344306126 /nfs/dbraw/zinc/30/61/26/344306126.db2.gz VJZRIJBCMHDSAB-TXEJJXNPSA-N 0 3 278.308 1.682 20 5 CDBDHN Cn1cc(CN2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602473579 344432621 /nfs/dbraw/zinc/43/26/21/344432621.db2.gz UYJSWDWAXHUFCB-AOOOYVTPSA-N 0 3 250.302 1.560 20 5 CDBDHN CC(C)CC[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000602440564 344418020 /nfs/dbraw/zinc/41/80/20/344418020.db2.gz QXUQMXHMWQXVSQ-GFCCVEGCSA-N 0 3 279.340 1.975 20 5 CDBDHN CCN1C[C@@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602802344 344591920 /nfs/dbraw/zinc/59/19/20/344591920.db2.gz ZGATXUIHIGEDBM-VXGBXAGGSA-N 0 3 295.387 1.514 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC2(C1)CCOCC2 ZINC000602783533 344597508 /nfs/dbraw/zinc/59/75/08/344597508.db2.gz PHPCAJOEEWLTEX-UHFFFAOYSA-N 0 3 294.355 1.602 20 5 CDBDHN CO[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602774397 344577452 /nfs/dbraw/zinc/57/74/52/344577452.db2.gz YRQGUNOXNLDYDR-LLVKDONJSA-N 0 3 268.317 1.211 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC2CC2)CC1 ZINC000602763888 344584481 /nfs/dbraw/zinc/58/44/81/344584481.db2.gz FNRIMHJODVHZHN-UHFFFAOYSA-N 0 3 293.371 1.127 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343516029 362491486 /nfs/dbraw/zinc/49/14/86/362491486.db2.gz KJBNLJLZELWSMG-RISCZKNCSA-N 0 3 291.351 1.736 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1[C@H]1CCCO1 ZINC000602826243 344611875 /nfs/dbraw/zinc/61/18/75/344611875.db2.gz JUBCOHJEOONTIA-CHWSQXEVSA-N 0 3 294.355 1.743 20 5 CDBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])C[C@H](C)OC ZINC000602837598 344619426 /nfs/dbraw/zinc/61/94/26/344619426.db2.gz NXHFWCCFFFXKAA-JTQLQIEISA-N 0 3 270.333 1.457 20 5 CDBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000044019704 344888681 /nfs/dbraw/zinc/88/86/81/344888681.db2.gz XIVBQMOGVSDCQR-UHFFFAOYSA-N 0 3 292.339 1.512 20 5 CDBDHN CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159721979 362509580 /nfs/dbraw/zinc/50/95/80/362509580.db2.gz GXWOGLSXZWHMLP-LBPRGKRZSA-N 0 3 279.340 1.879 20 5 CDBDHN C[C@@H]1C[C@H](C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726747 362511503 /nfs/dbraw/zinc/51/15/03/362511503.db2.gz HXCPCKGNOZYFQM-TXEJJXNPSA-N 0 3 279.340 1.734 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](CO)C2)cc1 ZINC000265819166 362608451 /nfs/dbraw/zinc/60/84/51/362608451.db2.gz KNRVCKDEYWRFKS-LBPRGKRZSA-N 0 3 280.324 1.678 20 5 CDBDHN CN1CC[C@@H](C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000609992631 346054746 /nfs/dbraw/zinc/05/47/46/346054746.db2.gz AYCACSYQWBJVTA-SNVBAGLBSA-N 0 3 275.308 1.436 20 5 CDBDHN CC(C)CCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518418 347742787 /nfs/dbraw/zinc/74/27/87/347742787.db2.gz MCPFFXASLSYHKC-UHFFFAOYSA-N 0 3 267.329 1.734 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000108338841 348911374 /nfs/dbraw/zinc/91/13/74/348911374.db2.gz XMVFUAFZCQNHCW-SECBINFHSA-N 0 3 267.285 1.259 20 5 CDBDHN Cc1nc(N2CC[C@@H](N3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000515985348 362980459 /nfs/dbraw/zinc/98/04/59/362980459.db2.gz DMRKWQBLRGBGOU-GFCCVEGCSA-N 0 3 291.355 1.758 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCCC1 ZINC000516389410 363089129 /nfs/dbraw/zinc/08/91/29/363089129.db2.gz RXNNLHCSXWQCMT-JTQLQIEISA-N 0 3 280.328 1.147 20 5 CDBDHN CC1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122053992 187012966 /nfs/dbraw/zinc/01/29/66/187012966.db2.gz FYUGAYUIOBSFLG-UHFFFAOYSA-N 0 3 264.325 1.984 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2ccccc2[N+](=O)[O-])nn1 ZINC000229935095 356322265 /nfs/dbraw/zinc/32/22/65/356322265.db2.gz KGXVZWNEQVPJDE-SNVBAGLBSA-N 0 3 261.285 1.644 20 5 CDBDHN CCOc1cccc(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000273813777 192318416 /nfs/dbraw/zinc/31/84/16/192318416.db2.gz BKXGXNFEJOYNBA-UHFFFAOYSA-N 0 3 265.313 1.744 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCc2cnccn2)cc1 ZINC000341283186 357220920 /nfs/dbraw/zinc/22/09/20/357220920.db2.gz WSRQUDAMSMWUJQ-UHFFFAOYSA-N 0 3 258.281 1.717 20 5 CDBDHN C[C@H]1C[C@@H](O)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337472558 358047894 /nfs/dbraw/zinc/04/78/94/358047894.db2.gz QKINOSKFXXZLFU-WDEREUQCSA-N 0 3 293.323 1.379 20 5 CDBDHN C[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193001682 358256365 /nfs/dbraw/zinc/25/63/65/358256365.db2.gz QDHZWTQVJXBEBP-JTQLQIEISA-N 0 3 250.298 1.940 20 5 CDBDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264913155 358767584 /nfs/dbraw/zinc/76/75/84/358767584.db2.gz FWVXWPCROINFGW-UWVGGRQHSA-N 0 3 278.312 1.232 20 5 CDBDHN C[C@H]1C[C@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000340914400 363620587 /nfs/dbraw/zinc/62/05/87/363620587.db2.gz RPKXOCWCKYEYSC-GWCFXTLKSA-N 0 3 250.298 1.592 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000451479242 359057763 /nfs/dbraw/zinc/05/77/63/359057763.db2.gz MIJPZOGGYMARRD-YUSALJHKSA-N 0 3 294.355 1.622 20 5 CDBDHN CC[C@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000111384748 359219528 /nfs/dbraw/zinc/21/95/28/359219528.db2.gz AOCIUHRFUXTTJY-AWEZNQCLSA-N 0 3 298.339 1.863 20 5 CDBDHN O=[N+]([O-])c1cc(CNCC2(O)CCOCC2)cs1 ZINC000112717352 359348625 /nfs/dbraw/zinc/34/86/25/359348625.db2.gz GDGXTPBSQKRLOD-UHFFFAOYSA-N 0 3 272.326 1.287 20 5 CDBDHN CN(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CCSC1 ZINC000267304392 359505080 /nfs/dbraw/zinc/50/50/80/359505080.db2.gz MFBPXZJQQDYVLJ-LBPRGKRZSA-N 0 3 298.368 1.090 20 5 CDBDHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000189685217 359763949 /nfs/dbraw/zinc/76/39/49/359763949.db2.gz KGNSFVPWZBXRMP-QMMMGPOBSA-N 0 3 256.331 1.805 20 5 CDBDHN Cc1cc(N[C@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000073000362 360052024 /nfs/dbraw/zinc/05/20/24/360052024.db2.gz VWPGBVATDCCUKJ-JTQLQIEISA-N 0 3 262.313 1.947 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCN(C)C2)n1 ZINC000166689800 360216816 /nfs/dbraw/zinc/21/68/16/360216816.db2.gz JCSARFJRFWWBAI-VIFPVBQESA-N 0 3 294.311 1.140 20 5 CDBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000358344387 360973906 /nfs/dbraw/zinc/97/39/06/360973906.db2.gz VJMGCZHMCYITCG-GFCCVEGCSA-N 0 3 251.286 1.073 20 5 CDBDHN CSC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285190280 239132548 /nfs/dbraw/zinc/13/25/48/239132548.db2.gz CIJYRJDZDFWXGO-GFCCVEGCSA-N 0 3 284.381 1.793 20 5 CDBDHN C[C@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000249497695 364757587 /nfs/dbraw/zinc/75/75/87/364757587.db2.gz HICNIBWNEDJRGQ-STQMWFEESA-N 0 3 293.367 1.482 20 5 CDBDHN COCCN(C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000171129626 365212420 /nfs/dbraw/zinc/21/24/20/365212420.db2.gz VYIFVOWAHLJRII-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(C)O ZINC000094774964 366997154 /nfs/dbraw/zinc/99/71/54/366997154.db2.gz XBGYPWXICYGRDA-UHFFFAOYSA-N 0 3 256.277 1.937 20 5 CDBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272009654 367052929 /nfs/dbraw/zinc/05/29/29/367052929.db2.gz SVQTVLRCAYROAD-UHFFFAOYSA-N 0 3 275.308 1.587 20 5 CDBDHN CCC[C@H](N[C@@H]1COC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000295987875 370822116 /nfs/dbraw/zinc/82/21/16/370822116.db2.gz PIVAKUKVQCLXBE-BFHYXJOUSA-N 0 3 280.324 1.785 20 5 CDBDHN C[C@@H](NC(=O)N1CCCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000417124848 242327308 /nfs/dbraw/zinc/32/73/08/242327308.db2.gz AFMWVHJEKICTPH-LLVKDONJSA-N 0 3 292.339 1.661 20 5 CDBDHN C[C@@H](CCN1CCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000076898116 368069186 /nfs/dbraw/zinc/06/91/86/368069186.db2.gz OYFJRSMCMSBFJC-ZDUSSCGKSA-N 0 3 293.367 1.795 20 5 CDBDHN C[C@H](Cn1cc([N+](=O)[O-])cc(Cl)c1=O)N(C)C ZINC000330891935 203359684 /nfs/dbraw/zinc/35/96/84/203359684.db2.gz XLWNAYJHIWFLAL-SSDOTTSWSA-N 0 3 259.693 1.360 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(O)CCOC1 ZINC000179025748 372238199 /nfs/dbraw/zinc/23/81/99/372238199.db2.gz QQILCDBLEFOUEI-CQSZACIVSA-N 0 3 296.323 1.235 20 5 CDBDHN CCN(CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621847 373169453 /nfs/dbraw/zinc/16/94/53/373169453.db2.gz BARRVTJTLINOMQ-ZDUSSCGKSA-N 0 3 268.313 1.597 20 5 CDBDHN COC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269647256 373301298 /nfs/dbraw/zinc/30/12/98/373301298.db2.gz LDXRCDSKLBLJJS-SWLSCSKDSA-N 0 3 294.351 1.987 20 5 CDBDHN CS(=O)(=O)CCCCNCc1ccccc1[N+](=O)[O-] ZINC000424170219 246367937 /nfs/dbraw/zinc/36/79/37/246367937.db2.gz JQXMLSLPRABZSL-UHFFFAOYSA-N 0 3 286.353 1.509 20 5 CDBDHN CN(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070231920 374657097 /nfs/dbraw/zinc/65/70/97/374657097.db2.gz ZXYPRWRJTRAOPR-UHFFFAOYSA-N 0 3 285.731 1.882 20 5 CDBDHN C[C@H](O)C[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000447840948 374716596 /nfs/dbraw/zinc/71/65/96/374716596.db2.gz VOCINVCSDAOKLO-RYUDHWBXSA-N 0 3 282.344 1.417 20 5 CDBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000278073464 374829489 /nfs/dbraw/zinc/82/94/89/374829489.db2.gz XGKDLDUKZMUFAH-LLVKDONJSA-N 0 3 292.339 1.670 20 5 CDBDHN Cc1ccccc1[C@@H](CO)NCCn1ccc([N+](=O)[O-])n1 ZINC000543839916 374937827 /nfs/dbraw/zinc/93/78/27/374937827.db2.gz OALGWANTONCTMR-CYBMUJFWSA-N 0 3 290.323 1.423 20 5 CDBDHN C[C@@]1(O)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280143492 374984324 /nfs/dbraw/zinc/98/43/24/374984324.db2.gz REFVGCFWBYSEOR-HUUCEWRRSA-N 0 3 294.351 1.865 20 5 CDBDHN COc1ccc(NC(=O)[C@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000130164350 375037414 /nfs/dbraw/zinc/03/74/14/375037414.db2.gz CAHFSJBHZYURFI-SNVBAGLBSA-N 0 3 281.312 1.915 20 5 CDBDHN COc1ccc(OCCN(C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000132149954 375404611 /nfs/dbraw/zinc/40/46/11/375404611.db2.gz NTHAEOCDNQIZMU-JTQLQIEISA-N 0 3 284.312 1.295 20 5 CDBDHN CC(COC(=O)CCNC(=O)/C=C/c1ccco1)[N+](=O)[O-] ZINC000493294463 375436647 /nfs/dbraw/zinc/43/66/47/375436647.db2.gz NCMXHYIEYFTDLM-ORAHPGNNSA-N 0 3 296.279 1.008 20 5 CDBDHN C[C@@H](O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162746302 375504435 /nfs/dbraw/zinc/50/44/35/375504435.db2.gz PHQBKLXCQYAFMM-ZYHUDNBSSA-N 0 3 250.298 1.798 20 5 CDBDHN CCOC[C@@H](O)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344818119 375527098 /nfs/dbraw/zinc/52/70/98/375527098.db2.gz FCPQSPJMOPEZMB-XCHKQJEOSA-N 0 3 294.351 1.985 20 5 CDBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000603668473 375591233 /nfs/dbraw/zinc/59/12/33/375591233.db2.gz LWTPXSHSUPONNH-UHFFFAOYSA-N 0 3 294.355 1.395 20 5 CDBDHN C[C@@H]1[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357048364 375672706 /nfs/dbraw/zinc/67/27/06/375672706.db2.gz ZSMKCSHJXXDZKD-OLZOCXBDSA-N 0 3 293.367 1.998 20 5 CDBDHN CC(COC(=O)[C@H]1CCN1C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496135911 375716743 /nfs/dbraw/zinc/71/67/43/375716743.db2.gz DYIFCPREXDMHCH-DTWKUNHWSA-N 0 3 288.300 1.204 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000194705248 375955891 /nfs/dbraw/zinc/95/58/91/375955891.db2.gz UYCXSAUKDZQKKP-GFCCVEGCSA-N 0 3 293.323 1.184 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N(C)C2CCN(CCO)CC2)c1 ZINC000447056026 250333973 /nfs/dbraw/zinc/33/39/73/250333973.db2.gz KCGVNYKJMMJEAT-UHFFFAOYSA-N 0 3 293.367 1.796 20 5 CDBDHN Cc1cc(OCC(=O)N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000281263663 195171854 /nfs/dbraw/zinc/17/18/54/195171854.db2.gz FUICFXKPCYFJHK-UHFFFAOYSA-N 0 3 295.339 1.302 20 5 CDBDHN CC[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000281402581 195226817 /nfs/dbraw/zinc/22/68/17/195226817.db2.gz NQKTWJMXHPWFDD-LBPRGKRZSA-N 0 3 268.317 1.292 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000286914946 390814910 /nfs/dbraw/zinc/81/49/10/390814910.db2.gz HUUBYOYMFAKDTG-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN CCN(C)C(=O)[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449276875 391054762 /nfs/dbraw/zinc/05/47/62/391054762.db2.gz DDIUQEBWRLBFMK-NEPJUHHUSA-N 0 3 293.367 1.982 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CNCCO1 ZINC000415097919 391257051 /nfs/dbraw/zinc/25/70/51/391257051.db2.gz ULDLYTJFULGRAX-CYBMUJFWSA-N 0 3 295.339 1.072 20 5 CDBDHN COCCNCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415495000 391467836 /nfs/dbraw/zinc/46/78/36/391467836.db2.gz FNVRDPQTILJDBS-UHFFFAOYSA-N 0 3 296.327 1.261 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCCN1C ZINC000345308468 391645675 /nfs/dbraw/zinc/64/56/75/391645675.db2.gz XMDKPQXOXFKPSQ-ONGXEEELSA-N 0 3 292.339 1.390 20 5 CDBDHN CC1(C)CN[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000591674968 391981207 /nfs/dbraw/zinc/98/12/07/391981207.db2.gz FOLWGRXRSOUKII-LBPRGKRZSA-N 0 3 275.308 1.482 20 5 CDBDHN C[C@H]1NCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000262759739 131259738 /nfs/dbraw/zinc/25/97/38/131259738.db2.gz IHIHULSKXXWFLS-VXGBXAGGSA-N 0 3 291.351 1.736 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000262811161 131263746 /nfs/dbraw/zinc/26/37/46/131263746.db2.gz QYNHUCJXYWEYEK-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN CCOC[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000459716260 392502621 /nfs/dbraw/zinc/50/26/21/392502621.db2.gz PXUAYDWVHDYCNY-GFCCVEGCSA-N 0 3 282.344 1.682 20 5 CDBDHN CCC[C@H](O)[C@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000419832648 392897574 /nfs/dbraw/zinc/89/75/74/392897574.db2.gz VOYFAKSLWDDUGI-JSGCOSHPSA-N 0 3 282.340 1.515 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](CCO)CC2)n1 ZINC000421026256 392927577 /nfs/dbraw/zinc/92/75/77/392927577.db2.gz ZXQOPLXTYHAZTE-GFCCVEGCSA-N 0 3 282.344 1.276 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2nnnn2CC1 ZINC000421403807 392934859 /nfs/dbraw/zinc/93/48/59/392934859.db2.gz XYRONJHNXZQFKL-LLVKDONJSA-N 0 3 288.311 1.076 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000421700275 392942040 /nfs/dbraw/zinc/94/20/40/392942040.db2.gz DNPWFQMHQVZBIB-ZDUSSCGKSA-N 0 3 291.351 1.690 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)C1CCC1 ZINC000316569026 393056572 /nfs/dbraw/zinc/05/65/72/393056572.db2.gz LSRDNOYRWICIPD-CYBMUJFWSA-N 0 3 250.298 1.845 20 5 CDBDHN Cc1nn(C)c(NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000037647716 393223690 /nfs/dbraw/zinc/22/36/90/393223690.db2.gz DMSMUOYVACPUJB-VIFPVBQESA-N 0 3 253.306 1.000 20 5 CDBDHN COc1cccc(C(=O)NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000195442033 393214453 /nfs/dbraw/zinc/21/44/53/393214453.db2.gz DBZQAUKUYCCCMR-SNVBAGLBSA-N 0 3 293.323 1.285 20 5 CDBDHN C[C@H](NC[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000224472687 140173547 /nfs/dbraw/zinc/17/35/47/140173547.db2.gz CMYPPVYYOJQTDB-XVKPBYJWSA-N 0 3 260.240 1.871 20 5 CDBDHN Cc1cc(NC[C@@H]2CN3CCC[C@H]3CO2)ncc1[N+](=O)[O-] ZINC000252639091 140322430 /nfs/dbraw/zinc/32/24/30/140322430.db2.gz JLROGEZBNFISDW-NWDGAFQWSA-N 0 3 292.339 1.573 20 5 CDBDHN Cc1ccnc(NC[C@H]2CN3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000252675283 140322958 /nfs/dbraw/zinc/32/29/58/140322958.db2.gz ZELXOTZYJFOEAR-RYUDHWBXSA-N 0 3 292.339 1.573 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000033093659 397883424 /nfs/dbraw/zinc/88/34/24/397883424.db2.gz BFUFBGXMGWBKBH-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN CCN(C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000311430074 149212274 /nfs/dbraw/zinc/21/22/74/149212274.db2.gz QQNPTRWHKYCLFH-UHFFFAOYSA-N 0 3 281.341 1.963 20 5 CDBDHN CSC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000311446075 149213446 /nfs/dbraw/zinc/21/34/46/149213446.db2.gz QUZOWFBBGIACAL-LBPRGKRZSA-N 0 3 288.344 1.938 20 5 CDBDHN C[C@H](NC(=O)[C@H](N)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000312516808 149233592 /nfs/dbraw/zinc/23/35/92/149233592.db2.gz SUSGZKKKFNBRSK-OIBJUYFYSA-N 0 3 287.266 1.755 20 5 CDBDHN COc1ccc(CNC[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000312965545 149240820 /nfs/dbraw/zinc/24/08/20/149240820.db2.gz JXFRVYJCXXCOHW-CQSZACIVSA-N 0 3 280.324 1.854 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1O ZINC000352668283 155341337 /nfs/dbraw/zinc/34/13/37/155341337.db2.gz QSPVNNXZDLJYDG-STQMWFEESA-N 0 3 250.298 1.940 20 5 CDBDHN COc1cc(CN(C)[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000352668691 155341778 /nfs/dbraw/zinc/34/17/78/155341778.db2.gz UIPODEHRWMTIAT-YPMHNXCESA-N 0 3 280.324 1.949 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000346260921 153116354 /nfs/dbraw/zinc/11/63/54/153116354.db2.gz LCOGDHBGFSAGGR-SNVBAGLBSA-N 0 3 281.312 1.040 20 5 CDBDHN CCCN(C)CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000359523716 158276076 /nfs/dbraw/zinc/27/60/76/158276076.db2.gz ZLECUGSWWDFTGV-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN CN1CC[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374912234 160326688 /nfs/dbraw/zinc/32/66/88/160326688.db2.gz NVTHVDTZMUJCMV-BXUZGUMPSA-N 0 3 289.335 1.761 20 5 CDBDHN CC[C@@H](N[C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268827835 286930929 /nfs/dbraw/zinc/93/09/29/286930929.db2.gz LSIAVEBYXHRECL-WCQYABFASA-N 0 3 277.324 1.866 20 5 CDBDHN C[C@H](NC[C@@]1(O)CCO[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284848541 196143968 /nfs/dbraw/zinc/14/39/68/196143968.db2.gz ABBAKSLJPXPPQW-BHDSKKPTSA-N 0 3 295.339 1.368 20 5 CDBDHN C[C@H](CO)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000284929577 196159923 /nfs/dbraw/zinc/15/99/23/196159923.db2.gz WCGZHZKVUBMWMA-SNVBAGLBSA-N 0 3 254.286 1.286 20 5 CDBDHN C[C@H](Cn1cccn1)NCc1ccc([N+](=O)[O-])cc1 ZINC000035272174 172093002 /nfs/dbraw/zinc/09/30/02/172093002.db2.gz BYPDTJUUJGMPOM-LLVKDONJSA-N 0 3 260.297 1.970 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCN(C3CC3)C2)cc1 ZINC000044685243 175231309 /nfs/dbraw/zinc/23/13/09/175231309.db2.gz CLOPDCAJJYTCCD-GFCCVEGCSA-N 0 3 261.325 1.921 20 5 CDBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)nc1 ZINC000301725458 275037173 /nfs/dbraw/zinc/03/71/73/275037173.db2.gz PPZRKHQSCOMGGZ-CYBMUJFWSA-N 0 3 292.339 1.655 20 5 CDBDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1c([N+](=O)[O-])ncn1C ZINC000048921610 279165026 /nfs/dbraw/zinc/16/50/26/279165026.db2.gz RUJAWBKOBFOEOO-GHMZBOCLSA-N 0 3 281.360 1.861 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000108344910 279306150 /nfs/dbraw/zinc/30/61/50/279306150.db2.gz ZXIKDLXQOXDJNR-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCNCC1 ZINC000332337788 281018248 /nfs/dbraw/zinc/01/82/48/281018248.db2.gz RYJCBLSTBOIGDX-UHFFFAOYSA-N 0 3 278.312 1.730 20 5 CDBDHN CN1CC[C@H](C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000527474450 281142038 /nfs/dbraw/zinc/14/20/38/281142038.db2.gz VTHDEPWRDRSPNV-QMMMGPOBSA-N 0 3 267.260 1.624 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000154606047 289212551 /nfs/dbraw/zinc/21/25/51/289212551.db2.gz DAHILWRJSRDZCQ-CQSZACIVSA-N 0 3 291.351 1.738 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCn2cnnc2C2CC2)c1 ZINC000156238256 289260809 /nfs/dbraw/zinc/26/08/09/289260809.db2.gz GKLWOOVKSBHVPH-UHFFFAOYSA-N 0 3 287.323 1.854 20 5 CDBDHN CC(=O)N1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573741699 294879266 /nfs/dbraw/zinc/87/92/66/294879266.db2.gz KYQVJBGWGFDSKX-BXUZGUMPSA-N 0 3 289.335 1.793 20 5 CDBDHN Cc1cnc(N2C[C@@H](C)NC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000090692672 302353722 /nfs/dbraw/zinc/35/37/22/302353722.db2.gz PXWNVBALKCLXOK-ZJUUUORDSA-N 0 3 250.302 1.485 20 5 CDBDHN CN[C@@H](C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000577231668 317292650 /nfs/dbraw/zinc/29/26/50/317292650.db2.gz OIDZJPOVHMOZKD-VIFPVBQESA-N 0 3 265.313 1.554 20 5 CDBDHN CO[C@@H]1COC[C@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000584052943 326910576 /nfs/dbraw/zinc/91/05/76/326910576.db2.gz NLFVWDGMZIDPTJ-FAQJLRJSSA-N 0 3 278.308 1.611 20 5 CDBDHN COC[C@H](O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000338481152 522800080 /nfs/dbraw/zinc/80/00/80/522800080.db2.gz RXLLPMNPHSWIHW-TXNVCOODSA-N 0 3 266.297 1.205 20 5 CDBDHN C[C@H](NC[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803089 525421424 /nfs/dbraw/zinc/42/14/24/525421424.db2.gz DMCHJNBQTLJVMV-WFASDCNBSA-N 0 3 292.383 1.491 20 5 CDBDHN CC(C)(NC(=O)[C@@H]1C[C@@H]1N)c1ccc([N+](=O)[O-])cc1 ZINC000424126089 535235907 /nfs/dbraw/zinc/23/59/07/535235907.db2.gz SBWSORISCGEYRY-MNOVXSKESA-N 0 3 263.297 1.293 20 5 CDBDHN CN1CCC[C@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000731030493 575030628 /nfs/dbraw/zinc/03/06/28/575030628.db2.gz ROEIYVOGDCGVLQ-LLVKDONJSA-N 0 3 289.339 1.996 20 5 CDBDHN Cc1ccc(OC(=O)C2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000774242753 575191224 /nfs/dbraw/zinc/19/12/24/575191224.db2.gz FEFCZTOKHVNPBM-JTQLQIEISA-N 0 3 278.264 1.287 20 5 CDBDHN COCCOC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000742377207 576596234 /nfs/dbraw/zinc/59/62/34/576596234.db2.gz OXPJSLXGBSBAKL-LLVKDONJSA-N 0 3 268.313 1.736 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)C1CC1 ZINC000771816488 575618801 /nfs/dbraw/zinc/61/88/01/575618801.db2.gz XTPOEQOACXLZCM-CYBMUJFWSA-N 0 3 293.323 1.202 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC000750082853 576975318 /nfs/dbraw/zinc/97/53/18/576975318.db2.gz SDHLELUDDAQUIY-GFCCVEGCSA-N 0 3 268.313 1.331 20 5 CDBDHN Cc1c(NC(=O)CCN2CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000934021248 617860399 /nfs/dbraw/zinc/86/03/99/617860399.db2.gz MFVHGCSPACSIFU-NSHDSACASA-N 0 3 293.323 1.298 20 5 CDBDHN CC(COC(=O)[C@@H]1CCN(C)c2ccccc21)[N+](=O)[O-] ZINC000893045458 618093583 /nfs/dbraw/zinc/09/35/83/618093583.db2.gz XSVVIRHBINXVIS-ZYHUDNBSSA-N 0 3 278.308 1.819 20 5 CDBDHN Cc1cnc(N2CC[C@H]3CN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893941783 618204699 /nfs/dbraw/zinc/20/46/99/618204699.db2.gz WJLWHXJKOVEHGG-JQWIXIFHSA-N 0 3 262.313 1.439 20 5 CDBDHN O=C1NCCC[C@@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894867703 619110251 /nfs/dbraw/zinc/11/02/51/619110251.db2.gz WOVYZKAETRHJRZ-SNVBAGLBSA-N 0 3 297.742 1.864 20 5 CDBDHN CON(C)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000883172814 619860984 /nfs/dbraw/zinc/86/09/84/619860984.db2.gz ULILWKKXVCJNRE-UHFFFAOYSA-N 0 3 253.302 1.486 20 5 CDBDHN O=[N+]([O-])CCNCCSCc1ccnc(Cl)c1 ZINC000905197879 626687227 /nfs/dbraw/zinc/68/72/27/626687227.db2.gz YOONRAUZQPSPNB-UHFFFAOYSA-N 0 3 275.761 1.835 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC/C=C\Cl)c1 ZINC000905708726 626935316 /nfs/dbraw/zinc/93/53/16/626935316.db2.gz SJKYZTCUZJJJDN-SROOVFNMSA-N 0 3 256.689 1.970 20 5 CDBDHN C[C@H](N[C@H]1COC[C@H]1C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905868298 627011095 /nfs/dbraw/zinc/01/10/95/627011095.db2.gz QYQDUSNKHMYLOG-SCVCMEIPSA-N 0 3 293.323 1.546 20 5 CDBDHN O=[N+]([O-])CCN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000929675054 630706004 /nfs/dbraw/zinc/70/60/04/630706004.db2.gz AUSFNKWABFCPCF-LBPRGKRZSA-N 0 3 252.289 1.967 20 5 CDBDHN COc1ccc(C[C@H](C)NCC(C)=O)c([N+](=O)[O-])c1 ZINC001170308111 1162339745 /nfs/dbraw/zinc/33/97/45/1162339745.db2.gz KIOQBABTAPTTHD-VIFPVBQESA-N 0 3 266.297 1.713 20 5 CDBDHN COc1cccc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170567604 1162938318 /nfs/dbraw/zinc/93/83/18/1162938318.db2.gz KUEMSUSLUMROQX-CABZTGNLSA-N 0 3 281.312 1.392 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)n1 ZINC001170569475 1162948528 /nfs/dbraw/zinc/94/85/28/1162948528.db2.gz SIKMFRSVZIAACH-MWLCHTKSSA-N 0 3 266.301 1.087 20 5 CDBDHN C[C@H](Nc1cnc(Cl)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170568206 1162945377 /nfs/dbraw/zinc/94/53/77/1162945377.db2.gz HCUNWLJGKVUUNZ-XVKPBYJWSA-N 0 3 286.719 1.432 20 5 CDBDHN C[C@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H](C)CN1C ZINC001164634360 719221657 /nfs/dbraw/zinc/22/16/57/719221657.db2.gz GOUAKPHYEVVEQX-UWVGGRQHSA-N 0 3 289.339 2.000 20 5 CDBDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCC[N+](=O)[O-])C1(C)C ZINC000930879016 742865894 /nfs/dbraw/zinc/86/58/94/742865894.db2.gz GWTOHRAPFLPXSR-NXEZZACHSA-N 0 3 287.360 1.545 20 5 CDBDHN CC(COC(=O)c1cn(-c2ccccc2)nn1)[N+](=O)[O-] ZINC000813102254 743487697 /nfs/dbraw/zinc/48/76/97/743487697.db2.gz CRZJMNFBXCLMEO-SECBINFHSA-N 0 3 276.252 1.089 20 5 CDBDHN C[C@@]1(O)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598034 743636652 /nfs/dbraw/zinc/63/66/52/743636652.db2.gz OMYVVPIDNGHMJR-UONOGXRCSA-N 0 3 280.324 1.475 20 5 CDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000796201210 746097544 /nfs/dbraw/zinc/09/75/44/746097544.db2.gz GCZPHOHFAJUSPM-UONOGXRCSA-N 0 3 280.324 1.739 20 5 CDBDHN C[NH+](C)[C@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000715540143 746265359 /nfs/dbraw/zinc/26/53/59/746265359.db2.gz PZSJYIBFKCUIRR-ZJUUUORDSA-N 0 3 280.328 1.980 20 5 CDBDHN COC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783629366 746862335 /nfs/dbraw/zinc/86/23/35/746862335.db2.gz ORQGYMAIUYUGGQ-LBPRGKRZSA-N 0 3 288.731 1.735 20 5 CDBDHN CC(COC(=O)c1cnn(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813112319 747664615 /nfs/dbraw/zinc/66/46/15/747664615.db2.gz FEWKPYNJTQGUOJ-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000128571378 747905239 /nfs/dbraw/zinc/90/52/39/747905239.db2.gz CVKNLZGNRGIONQ-RYUDHWBXSA-N 0 3 268.288 1.983 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2cccc3c2OCC3)c1 ZINC000921861541 748031229 /nfs/dbraw/zinc/03/12/29/748031229.db2.gz JNLONNKAKLMUEQ-UHFFFAOYSA-N 0 3 288.307 1.516 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000792877784 748128283 /nfs/dbraw/zinc/12/82/83/748128283.db2.gz PGLQAPKPANWLIB-GFCCVEGCSA-N 0 3 295.295 1.754 20 5 CDBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056328 927671358 /nfs/dbraw/zinc/67/13/58/927671358.db2.gz RVJXZZXNDGCNCA-CKIKVBCHSA-N 0 3 282.340 1.458 20 5 CDBDHN C[C@H](Nc1cc([N+](=O)[O-])cc(Cl)n1)[C@H]1CNCCO1 ZINC001159488187 930258459 /nfs/dbraw/zinc/25/84/59/930258459.db2.gz AOVZQPHMWZLEGI-IONNQARKSA-N 0 3 286.719 1.432 20 5 CDBDHN CCOCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154340997 931449806 /nfs/dbraw/zinc/44/98/06/931449806.db2.gz FBXITZWIWNOUGU-UHFFFAOYSA-N 0 3 295.339 1.227 20 5 CDBDHN COc1nc(-n2nc(CN)c3ccccc32)ccc1[N+](=O)[O-] ZINC001156855507 938426206 /nfs/dbraw/zinc/42/62/06/938426206.db2.gz BTCONGOGLDZBNT-UHFFFAOYSA-N 0 3 299.290 1.796 20 5 CDBDHN Cc1nc(N2C[C@H]3CCCN(C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157283243 938475199 /nfs/dbraw/zinc/47/51/99/938475199.db2.gz TVSDMFGHMOOIET-ZYHUDNBSSA-N 0 3 277.328 1.224 20 5 CDBDHN C[C@H](N)c1ccn(-c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC001158344679 938610990 /nfs/dbraw/zinc/61/09/90/938610990.db2.gz GRRUZKGRMMKDOH-LURJTMIESA-N 0 3 267.676 1.849 20 5 CDBDHN C[C@@H](N)c1ccn(-c2cc([N+](=O)[O-])cc(Cl)n2)n1 ZINC001158344893 938611118 /nfs/dbraw/zinc/61/11/18/938611118.db2.gz JAAZQVHRTBGOMV-ZCFIWIBFSA-N 0 3 267.676 1.849 20 5 CDBDHN C[C@@H](N)c1ccn(-c2nccc(Cl)c2[N+](=O)[O-])n1 ZINC001158344626 938611156 /nfs/dbraw/zinc/61/11/56/938611156.db2.gz FQXMSTFCWWBIHP-ZCFIWIBFSA-N 0 3 267.676 1.849 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)nc(N2CCNC3(CC3)C2)c1 ZINC001158933334 938679798 /nfs/dbraw/zinc/67/97/98/938679798.db2.gz LMHPDZJCZSRFRS-UHFFFAOYSA-N 0 3 268.704 1.585 20 5 CDBDHN NCc1cn(-c2ccc([N+](=O)[O-])c3cnccc32)cn1 ZINC001162302413 938975451 /nfs/dbraw/zinc/97/54/51/938975451.db2.gz QJAQEVCMMZZHNR-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN COc1nc(N[C@]2(C)CCCN(C)C2)ccc1[N+](=O)[O-] ZINC001162340519 939029598 /nfs/dbraw/zinc/02/95/98/939029598.db2.gz DDHTXGQIRLBDRW-CYBMUJFWSA-N 0 3 280.328 1.895 20 5 CDBDHN O=[N+]([O-])c1cnc2ccc(N[C@H]3CN4CCC3CC4)cn21 ZINC001163393143 939261008 /nfs/dbraw/zinc/26/10/08/939261008.db2.gz NIQMNNRWAMRZRG-LBPRGKRZSA-N 0 3 287.323 1.749 20 5 CDBDHN O=[N+]([O-])c1cccnc1OC1CCN(C2CC2)CC1 ZINC001225592563 941886102 /nfs/dbraw/zinc/88/61/02/941886102.db2.gz IEOYGPSSHFAQDB-UHFFFAOYSA-N 0 3 263.297 1.995 20 5 CDBDHN CCN1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226166949 941961570 /nfs/dbraw/zinc/96/15/70/941961570.db2.gz APCSUQHORHPYGH-JTQLQIEISA-N 0 3 279.296 1.167 20 5 CDBDHN COC(=O)c1cc(O[C@@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC001228768819 942373071 /nfs/dbraw/zinc/37/30/71/942373071.db2.gz MSIVDRXXHDPTPQ-GFCCVEGCSA-N 0 3 294.307 1.854 20 5 CDBDHN CC(C)N1CC[C@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229451987 942476580 /nfs/dbraw/zinc/47/65/80/942476580.db2.gz LOSVGGGERQSBGG-JTQLQIEISA-N 0 3 267.285 1.090 20 5 CDBDHN COc1c(O)ccc(CNC2(C)CC2)c1[N+](=O)[O-] ZINC001334182524 958911493 /nfs/dbraw/zinc/91/14/93/958911493.db2.gz IWFQODCQZIAGHT-UHFFFAOYSA-N 0 3 252.270 1.951 20 5 CDBDHN CC(COC(=O)[C@H]1CC(=O)N(C)c2ccccc21)[N+](=O)[O-] ZINC001343370798 963962289 /nfs/dbraw/zinc/96/22/89/963962289.db2.gz FSUCGZYNIXZTDG-KOLCDFICSA-N 0 3 292.291 1.345 20 5 CDBDHN CC(C)c1nnsc1C(=O)OCC(C)[N+](=O)[O-] ZINC001346124759 964948003 /nfs/dbraw/zinc/94/80/03/964948003.db2.gz ZJUVERBRJYOLFL-ZCFIWIBFSA-N 0 3 259.287 1.484 20 5 CDBDHN C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)N(C)C ZINC000044498807 341977487 /nfs/dbraw/zinc/97/74/87/341977487.db2.gz XCIHZSQGHJCAHZ-ZETCQYMHSA-N 0 3 257.315 1.336 20 5 CDBDHN CN1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])nc3)C2)C1 ZINC000590141938 342522649 /nfs/dbraw/zinc/52/26/49/342522649.db2.gz SSGJTMLKOSCVTR-AWEZNQCLSA-N 0 3 276.340 1.912 20 5 CDBDHN C[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)N(C)C ZINC000590660545 342581491 /nfs/dbraw/zinc/58/14/91/342581491.db2.gz FHKAXDWQCDSKFL-JTQLQIEISA-N 0 3 295.339 1.406 20 5 CDBDHN C[C@]1(CNCc2ccc([N+](=O)[O-])cc2)CCC(=O)N1 ZINC000453588656 252328150 /nfs/dbraw/zinc/32/81/50/252328150.db2.gz LKERMFZNZREZES-CYBMUJFWSA-N 0 3 263.297 1.353 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCCCC[C@@H]2CO)c1 ZINC000594016812 342865914 /nfs/dbraw/zinc/86/59/14/342865914.db2.gz IXCXSSCCPCIDTF-LLVKDONJSA-N 0 3 268.317 1.028 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594601290 342923895 /nfs/dbraw/zinc/92/38/95/342923895.db2.gz NICQIZYANLEYHZ-MNOVXSKESA-N 0 3 279.344 1.757 20 5 CDBDHN COCCOCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594504538 342914787 /nfs/dbraw/zinc/91/47/87/342914787.db2.gz OSTHNJMFOKPFKI-CYBMUJFWSA-N 0 3 280.324 1.835 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCNC(C)=O ZINC000595004924 342995636 /nfs/dbraw/zinc/99/56/36/342995636.db2.gz UIZPGYOJTIVWLR-SNVBAGLBSA-N 0 3 295.339 1.780 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)CN(C)C ZINC000595019571 342995995 /nfs/dbraw/zinc/99/59/95/342995995.db2.gz RJUUKHFFNICSER-CMPLNLGQSA-N 0 3 297.355 1.177 20 5 CDBDHN COC[C@H](O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035947 342997825 /nfs/dbraw/zinc/99/78/25/342997825.db2.gz NSXSZFFXPPFALC-ZYHUDNBSSA-N 0 3 298.339 1.651 20 5 CDBDHN CNC(=O)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595015999 343001152 /nfs/dbraw/zinc/00/11/52/343001152.db2.gz PGNRJSWICZSLIZ-SNVBAGLBSA-N 0 3 295.339 1.780 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)CN(C)C)n1 ZINC000166826192 362081732 /nfs/dbraw/zinc/08/17/32/362081732.db2.gz LCFZPNRARRQUAI-MRVPVSSYSA-N 0 3 282.300 1.138 20 5 CDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1CCO ZINC000595697460 343125000 /nfs/dbraw/zinc/12/50/00/343125000.db2.gz LISWWRLKZFGVPN-YPMHNXCESA-N 0 3 282.344 1.274 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000596482706 343327866 /nfs/dbraw/zinc/32/78/66/343327866.db2.gz UNDSARYLPNWCLR-SECBINFHSA-N 0 3 266.301 1.137 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)C ZINC000090525106 342396338 /nfs/dbraw/zinc/39/63/38/342396338.db2.gz HLLCGSWUXNHNFR-UHFFFAOYSA-N 0 3 267.329 1.734 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCC[C@@H]2O)c1 ZINC000051993391 362169826 /nfs/dbraw/zinc/16/98/26/362169826.db2.gz AVFXBGRIQYLYBW-OLZOCXBDSA-N 0 3 250.298 1.988 20 5 CDBDHN CC(C)(C)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000597925730 343663356 /nfs/dbraw/zinc/66/33/56/343663356.db2.gz QLTNPELHSCWZRL-VIFPVBQESA-N 0 3 281.312 1.790 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1 ZINC000598341408 343770470 /nfs/dbraw/zinc/77/04/70/343770470.db2.gz AYUOUOSSZJLZQN-SECBINFHSA-N 0 3 295.343 1.094 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342212 343771231 /nfs/dbraw/zinc/77/12/31/343771231.db2.gz KKIVWYAEFVXFFO-JTQLQIEISA-N 0 3 295.314 1.948 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000598573486 343833416 /nfs/dbraw/zinc/83/34/16/343833416.db2.gz JZFSIPJODLKCCR-ZDUSSCGKSA-N 0 3 277.324 1.665 20 5 CDBDHN CCN[C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602438545 344417301 /nfs/dbraw/zinc/41/73/01/344417301.db2.gz CVFCFZYWUZFNCG-VIFPVBQESA-N 0 3 251.286 1.209 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCC(NCCF)CC2)cn1 ZINC000602645375 344514218 /nfs/dbraw/zinc/51/42/18/344514218.db2.gz IPWSTFIMNTXSRP-UHFFFAOYSA-N 0 3 268.292 1.518 20 5 CDBDHN C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCN1 ZINC000302557174 344868164 /nfs/dbraw/zinc/86/81/64/344868164.db2.gz LGPJCWZNPISGNQ-ZETCQYMHSA-N 0 3 256.693 1.441 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCCN(CCCO)C2)cs1 ZINC000295109281 199349909 /nfs/dbraw/zinc/34/99/09/199349909.db2.gz LLFMHMVRKZNRMF-GFCCVEGCSA-N 0 3 299.396 1.593 20 5 CDBDHN CC1(C)[C@H](O)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000129321278 362649981 /nfs/dbraw/zinc/64/99/81/362649981.db2.gz LCYAPIWBBHCGMJ-VXGBXAGGSA-N 0 3 250.298 1.844 20 5 CDBDHN CC[C@H](CN1CCCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000609839879 346005529 /nfs/dbraw/zinc/00/55/29/346005529.db2.gz FWLOQJYKQQEGOL-SNVBAGLBSA-N 0 3 267.333 1.615 20 5 CDBDHN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000086468424 362710796 /nfs/dbraw/zinc/71/07/96/362710796.db2.gz QSOZXJRBMRYWFC-UWVGGRQHSA-N 0 3 278.312 1.809 20 5 CDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000086467349 362711092 /nfs/dbraw/zinc/71/10/92/362711092.db2.gz GNWJOFFDEWVEEU-UWVGGRQHSA-N 0 3 263.297 1.417 20 5 CDBDHN CN1CCC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000611509113 346800034 /nfs/dbraw/zinc/80/00/34/346800034.db2.gz JKGPWVZSIUUEFP-ZDUSSCGKSA-N 0 3 277.324 1.348 20 5 CDBDHN CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000273308605 192107923 /nfs/dbraw/zinc/10/79/23/192107923.db2.gz IFMGZWGBZJDNRI-NWDGAFQWSA-N 0 3 296.323 1.055 20 5 CDBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000086467343 179297261 /nfs/dbraw/zinc/29/72/61/179297261.db2.gz RRCWQZQUYJLTDO-ZJUUUORDSA-N 0 3 263.297 1.417 20 5 CDBDHN CCN(CCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273397689 192138127 /nfs/dbraw/zinc/13/81/27/192138127.db2.gz VVTDPPHXVUJBET-GFCCVEGCSA-N 0 3 298.339 1.039 20 5 CDBDHN CCN1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000014523615 348520805 /nfs/dbraw/zinc/52/08/05/348520805.db2.gz CTDRXWKYQOCENN-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN CCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066958259 349007614 /nfs/dbraw/zinc/00/76/14/349007614.db2.gz YROBZNGVWIINEP-UHFFFAOYSA-N 0 3 251.286 1.276 20 5 CDBDHN CN1CCC[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000311663760 350705843 /nfs/dbraw/zinc/70/58/43/350705843.db2.gz OHGNNLPBQOEFQO-VIFPVBQESA-N 0 3 265.317 1.326 20 5 CDBDHN COC1(C)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000271690659 191279184 /nfs/dbraw/zinc/27/91/84/191279184.db2.gz FGXYNAFLGLOZAF-UHFFFAOYSA-N 0 3 268.317 1.292 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000112839628 366159329 /nfs/dbraw/zinc/15/93/29/366159329.db2.gz IFQSMYHTDFJCBU-CABCVRRESA-N 0 3 291.351 1.548 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)[C@H]2CCCOC2)c1 ZINC000411988209 363396422 /nfs/dbraw/zinc/39/64/22/363396422.db2.gz GQNAZLBJJHRUQI-JSGCOSHPSA-N 0 3 280.324 1.472 20 5 CDBDHN COC[C@@H](O)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000304253177 355948636 /nfs/dbraw/zinc/94/86/36/355948636.db2.gz YKTYIZCEAZZMFZ-LBPRGKRZSA-N 0 3 282.340 1.815 20 5 CDBDHN COC[C@H](CNC/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000358478437 356266269 /nfs/dbraw/zinc/26/62/69/356266269.db2.gz CBFJHXSNKLHEAL-VGVVRCBHSA-N 0 3 280.324 1.859 20 5 CDBDHN COc1ccc(CNC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000134695740 356378873 /nfs/dbraw/zinc/37/88/73/356378873.db2.gz RWMBIUSDFQCBMZ-GFCCVEGCSA-N 0 3 268.313 1.710 20 5 CDBDHN CC[C@@H](CCO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134986514 356916341 /nfs/dbraw/zinc/91/63/41/356916341.db2.gz SIPGLAQKZXSNEV-NSHDSACASA-N 0 3 268.313 1.854 20 5 CDBDHN C[C@H](O)CCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249038 357425442 /nfs/dbraw/zinc/42/54/42/357425442.db2.gz BPDWVVPHNSXPMY-RYUDHWBXSA-N 0 3 298.339 1.037 20 5 CDBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])CCOCCO ZINC000282877359 357479485 /nfs/dbraw/zinc/47/94/85/357479485.db2.gz YJWUNYAPWNISBG-GQCTYLIASA-N 0 3 280.324 1.549 20 5 CDBDHN CC(C)Oc1nc(N2CCNCC2)ccc1[N+](=O)[O-] ZINC000566416109 357664813 /nfs/dbraw/zinc/66/48/13/357664813.db2.gz MWFHFOQHSXPLDX-UHFFFAOYSA-N 0 3 266.301 1.187 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000360767342 357684559 /nfs/dbraw/zinc/68/45/59/357684559.db2.gz UJPQHKQSMQXYBZ-STQMWFEESA-N 0 3 280.324 1.329 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCN(C)C[C@H]1C ZINC000360983875 357764213 /nfs/dbraw/zinc/76/42/13/357764213.db2.gz IAKNUUSPMMJORW-PWSUYJOCSA-N 0 3 295.387 1.896 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@H](N2CCCCC2)C1 ZINC000408100485 358014199 /nfs/dbraw/zinc/01/41/99/358014199.db2.gz SIPFVLXFCQBBEX-LLVKDONJSA-N 0 3 279.344 1.393 20 5 CDBDHN CO[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361362261 358170037 /nfs/dbraw/zinc/17/00/37/358170037.db2.gz QOYZZXVDKISEMR-ZDUSSCGKSA-N 0 3 293.323 1.644 20 5 CDBDHN Cc1cnc(N[C@H]2CCCN(CCCO)C2)c([N+](=O)[O-])c1 ZINC000294842986 199208654 /nfs/dbraw/zinc/20/86/54/199208654.db2.gz ADAWZRZWXLWOAP-LBPRGKRZSA-N 0 3 294.355 1.557 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408228230 358450650 /nfs/dbraw/zinc/45/06/50/358450650.db2.gz WKYMWYHPDWTEKD-SKDRFNHKSA-N 0 3 280.328 1.335 20 5 CDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cnnn1C ZINC000287432911 358586261 /nfs/dbraw/zinc/58/62/61/358586261.db2.gz SZNGVPZFKXYADW-LLVKDONJSA-N 0 3 289.339 1.834 20 5 CDBDHN C[C@@H]1C[C@@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341581588 358666385 /nfs/dbraw/zinc/66/63/85/358666385.db2.gz HDDNINNHMZTCOS-GHMZBOCLSA-N 0 3 265.313 1.487 20 5 CDBDHN C[C@@H]1CNCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000261859108 359070576 /nfs/dbraw/zinc/07/05/76/359070576.db2.gz QZZGFVPCMHLWFU-SSDOTTSWSA-N 0 3 256.693 1.441 20 5 CDBDHN CC(C)[C@](C)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000297674415 200258773 /nfs/dbraw/zinc/25/87/73/200258773.db2.gz OUOKOKZRAPHRSN-JSGCOSHPSA-N 0 3 295.339 1.118 20 5 CDBDHN C[C@H](C[S@](C)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000168166578 363969383 /nfs/dbraw/zinc/96/93/83/363969383.db2.gz APWHNVFIKLJWMZ-VVVCHXIZSA-N 0 3 256.327 1.451 20 5 CDBDHN Cc1nc(N2CCC[C@@H]3CN(C)CC[C@@H]32)ncc1[N+](=O)[O-] ZINC000297361145 367132106 /nfs/dbraw/zinc/13/21/06/367132106.db2.gz CBPFJQADDWBGFM-NEPJUHHUSA-N 0 3 291.355 1.614 20 5 CDBDHN C[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N(C)C ZINC000272241656 367566834 /nfs/dbraw/zinc/56/68/34/367566834.db2.gz KWYRDVPVDRBCFT-QMMMGPOBSA-N 0 3 295.295 1.003 20 5 CDBDHN COCC1(C)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330653404 203082040 /nfs/dbraw/zinc/08/20/40/203082040.db2.gz NWTDGRMUOURIRQ-UHFFFAOYSA-N 0 3 282.344 1.540 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN[C@@H](C)C1 ZINC000420339090 244109634 /nfs/dbraw/zinc/10/96/34/244109634.db2.gz QJDGNDVSNPHGNP-NSHDSACASA-N 0 3 292.339 1.135 20 5 CDBDHN CON1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000421394249 244687651 /nfs/dbraw/zinc/68/76/51/244687651.db2.gz FSZGSLWCWIITTF-UHFFFAOYSA-N 0 3 271.342 1.772 20 5 CDBDHN CC(C)[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668460 369783659 /nfs/dbraw/zinc/78/36/59/369783659.db2.gz KRDOWGYUBNAGFF-LLVKDONJSA-N 0 3 251.286 1.194 20 5 CDBDHN Cc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000129901921 370129101 /nfs/dbraw/zinc/12/91/01/370129101.db2.gz ZYPKLRFGCFPGTK-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN CC[C@@H](CO)N(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000295642618 370538601 /nfs/dbraw/zinc/53/86/01/370538601.db2.gz GRFUTPPEJIWUEM-NSHDSACASA-N 0 3 298.339 1.685 20 5 CDBDHN NC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000423726946 246005427 /nfs/dbraw/zinc/00/54/27/246005427.db2.gz QJFCFDJAJTUFLR-UHFFFAOYSA-N 0 3 289.295 1.103 20 5 CDBDHN CC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298933319 374264836 /nfs/dbraw/zinc/26/48/36/374264836.db2.gz CJGBOXMNPAHNQD-UHFFFAOYSA-N 0 3 280.328 1.385 20 5 CDBDHN NC(=O)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000368578604 374318083 /nfs/dbraw/zinc/31/80/83/374318083.db2.gz OPBCLPUZFODUTA-SNVBAGLBSA-N 0 3 263.297 1.292 20 5 CDBDHN CC[C@@H](NC[C@@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480670 374384853 /nfs/dbraw/zinc/38/48/53/374384853.db2.gz PMKACEYROOLHFQ-LSDHHAIUSA-N 0 3 292.383 1.539 20 5 CDBDHN COc1ccc(CN(C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000051837932 375583346 /nfs/dbraw/zinc/58/33/46/375583346.db2.gz RAURWLNXSVDXMF-SECBINFHSA-N 0 3 254.286 1.416 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCN1C ZINC000345012240 375714412 /nfs/dbraw/zinc/71/44/12/375714412.db2.gz PIKONXUCNVKZJA-RKDXNWHRSA-N 0 3 266.301 1.135 20 5 CDBDHN CCc1[nH]nc(C(=O)N2CCN(C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000444273217 250114374 /nfs/dbraw/zinc/11/43/74/250114374.db2.gz ZUGGVQULBIVZGY-SECBINFHSA-N 0 3 295.343 1.047 20 5 CDBDHN COC(=O)CC[C@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000288698408 197146774 /nfs/dbraw/zinc/14/67/74/197146774.db2.gz XZGBAEPCAILYCK-JTQLQIEISA-N 0 3 295.295 1.122 20 5 CDBDHN C[C@H](NC(=O)/C=C\CN(C)C)c1ccccc1[N+](=O)[O-] ZINC000492385320 253208258 /nfs/dbraw/zinc/20/82/58/253208258.db2.gz IMXNDBRNDDHWCB-WDDYJBPVSA-N 0 3 277.324 1.890 20 5 CDBDHN Cc1cc(N[C@H](CO)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000289174326 197253984 /nfs/dbraw/zinc/25/39/84/197253984.db2.gz RGVLDPOFPDAUMB-LBPRGKRZSA-N 0 3 294.355 1.557 20 5 CDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000288425992 197074637 /nfs/dbraw/zinc/07/46/37/197074637.db2.gz OALKQGLKFLHEKV-UWVGGRQHSA-N 0 3 293.327 1.017 20 5 CDBDHN C[C@H](O)CCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000075777875 390680385 /nfs/dbraw/zinc/68/03/85/390680385.db2.gz JHXMENPSJAQIEZ-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN Cc1nc(N2CCN(C3CC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000520337568 391270749 /nfs/dbraw/zinc/27/07/49/391270749.db2.gz FITQIYSHXHHUAH-JTQLQIEISA-N 0 3 291.355 1.614 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOCCO ZINC000567915575 391547359 /nfs/dbraw/zinc/54/73/59/391547359.db2.gz XORKEJUBTXFGPF-GFCCVEGCSA-N 0 3 266.297 1.181 20 5 CDBDHN CC(C)(O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568107616 391585635 /nfs/dbraw/zinc/58/56/35/391585635.db2.gz SRYBDBWYPIMPGU-NSHDSACASA-N 0 3 250.298 1.943 20 5 CDBDHN C[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190812575 130150148 /nfs/dbraw/zinc/15/01/48/130150148.db2.gz DGPJPATXKGYXKS-QWRGUYRKSA-N 0 3 268.313 1.158 20 5 CDBDHN COc1ccc(OCCN2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590762303 391922694 /nfs/dbraw/zinc/92/26/94/391922694.db2.gz PWXDCFAQABQEIJ-ZWNOBZJWSA-N 0 3 296.323 1.437 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000416293979 391983049 /nfs/dbraw/zinc/98/30/49/391983049.db2.gz XAMLTNDACGMVHP-UHFFFAOYSA-N 0 3 269.326 1.480 20 5 CDBDHN CCc1ccc(C(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000416306160 391985118 /nfs/dbraw/zinc/98/51/18/391985118.db2.gz YYTQRMKQTJGXGG-UHFFFAOYSA-N 0 3 291.351 1.981 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000262786764 131261571 /nfs/dbraw/zinc/26/15/71/131261571.db2.gz MMJOEVBFHPMKSC-WDEREUQCSA-N 0 3 277.324 1.346 20 5 CDBDHN CN(C)C1CN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000271754088 392614199 /nfs/dbraw/zinc/61/41/99/392614199.db2.gz WONBVCAREXGFDE-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN CCC[C@@H](O)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000419804396 392897616 /nfs/dbraw/zinc/89/76/16/392897616.db2.gz DALXGDFQPYVECV-CHWSQXEVSA-N 0 3 268.313 1.206 20 5 CDBDHN Cc1nc(NC[C@H]2NCCc3ccccc32)ncc1[N+](=O)[O-] ZINC000420259126 392916377 /nfs/dbraw/zinc/91/63/77/392916377.db2.gz YKTOEFURCVXHQC-CYBMUJFWSA-N 0 3 299.334 1.414 20 5 CDBDHN CC(C)N(C)CC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282359800 393175565 /nfs/dbraw/zinc/17/55/65/393175565.db2.gz BFUYJOOYPOPGDY-UHFFFAOYSA-N 0 3 293.367 1.936 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C)C1 ZINC000449112806 393129969 /nfs/dbraw/zinc/12/99/69/393129969.db2.gz SUQXSYPDVHMRIV-JQWIXIFHSA-N 0 3 277.324 1.346 20 5 CDBDHN CCN1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000493587151 393216015 /nfs/dbraw/zinc/21/60/15/393216015.db2.gz QHVDLGCMQHGYQN-GWJCSSMESA-N 0 3 289.335 1.818 20 5 CDBDHN COc1cc(CNCC2(O)CCC2)c([N+](=O)[O-])cc1OC ZINC000237131231 140252004 /nfs/dbraw/zinc/25/20/04/140252004.db2.gz JVZXEZTVYUQRTP-UHFFFAOYSA-N 0 3 296.323 1.617 20 5 CDBDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000343570806 152228698 /nfs/dbraw/zinc/22/86/98/152228698.db2.gz ABIYBALUCBWALB-LLVKDONJSA-N 0 3 294.355 1.538 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@H](CO)O2)cc1 ZINC000353714166 156033261 /nfs/dbraw/zinc/03/32/61/156033261.db2.gz WLOLDKFYQLSWCY-CHWSQXEVSA-N 0 3 266.297 1.224 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354072577 156253919 /nfs/dbraw/zinc/25/39/19/156253919.db2.gz JGXRNVHQKMWROJ-RDDDGLTNSA-N 0 3 291.311 1.205 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000359025478 158102843 /nfs/dbraw/zinc/10/28/43/158102843.db2.gz DXNQQXMEQRFYBJ-UWVGGRQHSA-N 0 3 293.327 1.016 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCOCC3(CCCC3)C2)c1 ZINC000373459971 160202845 /nfs/dbraw/zinc/20/28/45/160202845.db2.gz HCQALAFGBBOIDZ-UHFFFAOYSA-N 0 3 294.355 1.684 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)N(C)C ZINC000038108649 174122338 /nfs/dbraw/zinc/12/23/38/174122338.db2.gz KZJOKXOTBWVSRY-MRVPVSSYSA-N 0 3 269.276 1.414 20 5 CDBDHN CC(C)NCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676276 174373909 /nfs/dbraw/zinc/37/39/09/174373909.db2.gz YXLLEHDVFZZZNJ-UHFFFAOYSA-N 0 3 265.313 1.252 20 5 CDBDHN CN1CCC[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000044537638 175200156 /nfs/dbraw/zinc/20/01/56/175200156.db2.gz LJTRKRGDSJFOPI-JTQLQIEISA-N 0 3 250.302 1.744 20 5 CDBDHN COC[C@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000289585210 274049217 /nfs/dbraw/zinc/04/92/17/274049217.db2.gz ARUDLUWFSFYQFW-HZMBPMFUSA-N 0 3 294.351 1.914 20 5 CDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CCN(C2CC2)C1 ZINC000294905022 274369687 /nfs/dbraw/zinc/36/96/87/274369687.db2.gz IPSGAAXPGWYBHE-JTQLQIEISA-N 0 3 277.328 1.305 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000269425176 276041430 /nfs/dbraw/zinc/04/14/30/276041430.db2.gz YGLWJQJOJLRPKW-UHFFFAOYSA-N 0 3 295.343 1.265 20 5 CDBDHN O=C1NCC[C@@H]1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000563349247 316260220 /nfs/dbraw/zinc/26/02/20/316260220.db2.gz FSDAVTVXHDIAFE-GFCCVEGCSA-N 0 3 289.335 1.479 20 5 CDBDHN CSC[C@H](O)CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000581007128 324622219 /nfs/dbraw/zinc/62/22/19/324622219.db2.gz GWJNTHWZMPJMDZ-LLVKDONJSA-N 0 3 286.353 1.287 20 5 CDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000582762487 325038061 /nfs/dbraw/zinc/03/80/61/325038061.db2.gz JYTJWLRCFMAXCC-UWVGGRQHSA-N 0 3 295.343 1.168 20 5 CDBDHN CC(C)N(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000085862754 519648931 /nfs/dbraw/zinc/64/89/31/519648931.db2.gz SODYHGMFEWQZNF-UHFFFAOYSA-N 0 3 268.313 1.676 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810236 521944740 /nfs/dbraw/zinc/94/47/40/521944740.db2.gz LXRLTPBMAIVMPE-GWCFXTLKSA-N 0 3 279.340 1.927 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000184581354 522812590 /nfs/dbraw/zinc/81/25/90/522812590.db2.gz WKOCEFVZIREESJ-UHFFFAOYSA-N 0 3 293.327 1.548 20 5 CDBDHN C[C@H]1C[C@H](C)CN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000157328623 524885033 /nfs/dbraw/zinc/88/50/33/524885033.db2.gz OHRGVFDGQAWENL-QWRGUYRKSA-N 0 3 252.318 1.769 20 5 CDBDHN Cc1c(NC(=O)[C@]2(F)CCNC2)cccc1[N+](=O)[O-] ZINC000150690282 525859058 /nfs/dbraw/zinc/85/90/58/525859058.db2.gz LNVQWMQWXKKVQN-LBPRGKRZSA-N 0 3 267.260 1.543 20 5 CDBDHN NC(C(=O)NCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000353128618 527327232 /nfs/dbraw/zinc/32/72/32/527327232.db2.gz KZJMARSTEFJTNJ-QMMMGPOBSA-N 0 3 277.202 1.101 20 5 CDBDHN CC[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])N(C)C ZINC000268843829 535414706 /nfs/dbraw/zinc/41/47/06/535414706.db2.gz NNGKTERTYNQWQR-LBPRGKRZSA-N 0 3 279.340 1.594 20 5 CDBDHN O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc([O-])c(F)c2)c1 ZINC000893133911 617402643 /nfs/dbraw/zinc/40/26/43/617402643.db2.gz HFUHLFONAOCCQX-UHFFFAOYSA-N 0 3 280.259 1.426 20 5 CDBDHN CC(COC(=O)C[C@H]1CCC(C)(C)CO1)[N+](=O)[O-] ZINC000893047863 618099582 /nfs/dbraw/zinc/09/95/82/618099582.db2.gz RDHJEWBROHVMME-NXEZZACHSA-N 0 3 259.302 1.790 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCN1C(C)(C)C ZINC000894476609 618909594 /nfs/dbraw/zinc/90/95/94/618909594.db2.gz QTGWUFKDTGKFCE-VIFPVBQESA-N 0 3 267.333 1.613 20 5 CDBDHN COc1cc(F)cc(C[C@@H](C)NCC[N+](=O)[O-])c1 ZINC000905282078 626736091 /nfs/dbraw/zinc/73/60/91/626736091.db2.gz YCTMJHRPJDRWIE-SECBINFHSA-N 0 3 256.277 1.632 20 5 CDBDHN CC[C@@H](CO)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000916570678 632017484 /nfs/dbraw/zinc/01/74/84/632017484.db2.gz MYINBULRJQIRJM-JTQLQIEISA-N 0 3 281.312 1.202 20 5 CDBDHN CCOc1cnc(N[C@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170564266 1162927337 /nfs/dbraw/zinc/92/73/37/1162927337.db2.gz OTQWSQWJIJHLSP-SKDRFNHKSA-N 0 3 296.327 1.177 20 5 CDBDHN NCc1cnnn1-c1ncc([N+](=O)[O-])c2ccccc21 ZINC001158422555 1162978775 /nfs/dbraw/zinc/97/87/75/1162978775.db2.gz BBGYYEQXDGYRFK-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN[C@@H]2C[C@@H]21 ZINC001580874912 1172557155 /nfs/dbraw/zinc/55/71/55/1172557155.db2.gz OPPMHUPIRSJBQA-NEPJUHHUSA-N 0 3 270.292 1.694 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000401318836 1184134522 /nfs/dbraw/zinc/13/45/22/1184134522.db2.gz FMEITBIUZLBWAG-HRDYMLBCSA-N 0 3 267.285 1.399 20 5 CDBDHN CC[C@@]1(O)CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313121 751476783 /nfs/dbraw/zinc/47/67/83/751476783.db2.gz FYOZWAFCCGQQBD-HUUCEWRRSA-N 0 3 294.351 1.865 20 5 CDBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCN(C)CCO ZINC000884825204 751799270 /nfs/dbraw/zinc/79/92/70/751799270.db2.gz KZFMFAKTZDFQRA-UHFFFAOYSA-N 0 3 287.747 1.893 20 5 CDBDHN Cc1ccccc1COCC(=O)OCC(C)[N+](=O)[O-] ZINC000857030821 751889756 /nfs/dbraw/zinc/88/97/56/751889756.db2.gz ZEDNRCJREMJTES-LLVKDONJSA-N 0 3 267.281 1.720 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104109 750074608 /nfs/dbraw/zinc/07/46/08/750074608.db2.gz KAVSJDXZZYFTIY-QMMMGPOBSA-N 0 3 268.225 1.725 20 5 CDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])n(C2CCOCC2)n1 ZINC000860776251 750825818 /nfs/dbraw/zinc/82/58/18/750825818.db2.gz CWVBEONNXHHVMD-JTQLQIEISA-N 0 3 297.311 1.365 20 5 CDBDHN CN(CCO)CCNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000884825165 751074491 /nfs/dbraw/zinc/07/44/91/751074491.db2.gz IQYZSUNTNQWRPU-UHFFFAOYSA-N 0 3 291.710 1.723 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2COCCN2)cc1Cl ZINC000863649382 752733422 /nfs/dbraw/zinc/73/34/22/752733422.db2.gz CPHHMIBTOLCVJO-SNVBAGLBSA-N 0 3 285.731 1.326 20 5 CDBDHN O=[N+]([O-])c1ccnn1CN1CCN(C2CCCC2)CC1 ZINC000123487644 753058793 /nfs/dbraw/zinc/05/87/93/753058793.db2.gz MCKWKUFTJUTIOR-UHFFFAOYSA-N 0 3 279.344 1.309 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCC[S@](C)=O ZINC000873054305 753402847 /nfs/dbraw/zinc/40/28/47/753402847.db2.gz URDCTPIYNVCCSX-SFHVURJKSA-N 0 3 270.354 1.680 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCOCCO ZINC000873008241 753638962 /nfs/dbraw/zinc/63/89/62/753638962.db2.gz QAAZFLWUPUQPDL-UHFFFAOYSA-N 0 3 268.313 1.310 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000092673383 753798392 /nfs/dbraw/zinc/79/83/92/753798392.db2.gz KNOFVMSEVZPLOS-LLVKDONJSA-N 0 3 292.339 1.343 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](C)C(N)=O)c1F ZINC001173175818 912280807 /nfs/dbraw/zinc/28/08/07/912280807.db2.gz UCWUROSQWWRFJD-YUMQZZPRSA-N 0 3 299.302 1.137 20 5 CDBDHN CCN1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C[C@H]1C ZINC001121298559 912952699 /nfs/dbraw/zinc/95/26/99/912952699.db2.gz ZIAUBABBGJJHMC-OUAUKWLOSA-N 0 3 296.375 1.072 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ccncn3)CC2)C1 ZINC001169035559 927644519 /nfs/dbraw/zinc/64/45/19/927644519.db2.gz CCEQXWSRTJCSIV-CHWSQXEVSA-N 0 3 291.355 1.044 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3cncnc3)CC2)C1 ZINC001169039828 927653004 /nfs/dbraw/zinc/65/30/04/927653004.db2.gz UKGUHUGGWIPFDY-QWHCGFSZSA-N 0 3 291.355 1.044 20 5 CDBDHN CCOc1cnc(-n2ccc([C@H](C)N)n2)c([N+](=O)[O-])c1 ZINC001169227750 927824983 /nfs/dbraw/zinc/82/49/83/927824983.db2.gz FDPXAJPEDWOLFL-QMMMGPOBSA-N 0 3 277.284 1.594 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NOCCN(C)C ZINC000823255144 931277181 /nfs/dbraw/zinc/27/71/81/931277181.db2.gz NVQSMJCKWIIMFY-UHFFFAOYSA-N 0 3 281.312 1.435 20 5 CDBDHN NCc1ccnn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001155130223 937639553 /nfs/dbraw/zinc/63/95/53/937639553.db2.gz GLJIRFZIQYNZSI-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CN(C)/C=C/c1cc(N[C@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC001156580399 938389079 /nfs/dbraw/zinc/38/90/79/938389079.db2.gz AWPGMSGUCJGJJH-FUEXJSSKSA-N 0 3 291.355 1.638 20 5 CDBDHN COc1cc(-n2cnc(CN)c2)cc([N+](=O)[O-])c1C ZINC001162304120 938975867 /nfs/dbraw/zinc/97/58/67/938975867.db2.gz JWJFGSHSUFODHR-UHFFFAOYSA-N 0 3 262.269 1.556 20 5 CDBDHN O=[N+]([O-])c1c(Cl)ccnc1N1CC[C@@H]2NCCO[C@H]2C1 ZINC001165269338 939537579 /nfs/dbraw/zinc/53/75/79/939537579.db2.gz JMQMLDHBVOKFIU-UWVGGRQHSA-N 0 3 298.730 1.210 20 5 CDBDHN O=[N+]([O-])c1ccc(CO[C@@H]2CN3CCC2CC3)cn1 ZINC001224109348 941721123 /nfs/dbraw/zinc/72/11/23/941721123.db2.gz RNBSBSNPYUUKMY-GFCCVEGCSA-N 0 3 263.297 1.601 20 5 CDBDHN CC(C)N1CC[C@H](Oc2cccnc2[N+](=O)[O-])C1 ZINC001225628995 941891772 /nfs/dbraw/zinc/89/17/72/941891772.db2.gz BSWJEJPAIJCCAT-JTQLQIEISA-N 0 3 251.286 1.851 20 5 CDBDHN C[N@@H+]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227744231 942216737 /nfs/dbraw/zinc/21/67/37/942216737.db2.gz FPMHAGKSZKILFZ-JTQLQIEISA-N 0 3 276.296 1.944 20 5 CDBDHN C[N@H+]1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227744231 942216742 /nfs/dbraw/zinc/21/67/42/942216742.db2.gz FPMHAGKSZKILFZ-JTQLQIEISA-N 0 3 276.296 1.944 20 5 CDBDHN C[N@@H+]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227744231 942216745 /nfs/dbraw/zinc/21/67/45/942216745.db2.gz FPMHAGKSZKILFZ-JTQLQIEISA-N 0 3 276.296 1.944 20 5 CDBDHN C[N@H+]1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227744231 942216751 /nfs/dbraw/zinc/21/67/51/942216751.db2.gz FPMHAGKSZKILFZ-JTQLQIEISA-N 0 3 276.296 1.944 20 5 CDBDHN CCN1CC[C@@H](Oc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001227894893 942241082 /nfs/dbraw/zinc/24/10/82/942241082.db2.gz RAYCVQWPTHIXOJ-SNVBAGLBSA-N 0 3 294.307 1.854 20 5 CDBDHN COC(=O)c1ccc(OC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001234048608 943725803 /nfs/dbraw/zinc/72/58/03/943725803.db2.gz NHIQKYZYQZKUNO-UHFFFAOYSA-N 0 3 294.307 1.854 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001262035784 946391246 /nfs/dbraw/zinc/39/12/46/946391246.db2.gz VMOQJSWZCBPYDB-ZDUSSCGKSA-N 0 3 275.308 1.564 20 5 CDBDHN CC[C@](N)(CO)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539001 947516748 /nfs/dbraw/zinc/51/67/48/947516748.db2.gz AILKIIQGUTYNCT-GXFFZTMASA-N 0 3 267.329 1.173 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1COC(=O)C1 ZINC001254539727 947517425 /nfs/dbraw/zinc/51/74/25/947517425.db2.gz KEGRZBGURTXOAL-MWLCHTKSSA-N 0 3 264.281 1.431 20 5 CDBDHN Cc1nccc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254576394 947535622 /nfs/dbraw/zinc/53/56/22/947535622.db2.gz WGJHTKQHGJHISI-CQSZACIVSA-N 0 3 284.319 1.950 20 5 CDBDHN COc1cc(C[NH2+]C[C@H](C)CCO)c([N+](=O)[O-])cc1[O-] ZINC001308286886 956510466 /nfs/dbraw/zinc/51/04/66/956510466.db2.gz SAYKDIZQOFKXRH-SECBINFHSA-N 0 3 284.312 1.417 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC001331701082 957213115 /nfs/dbraw/zinc/21/31/15/957213115.db2.gz GHRODSAUQOICCH-DGCLKSJQSA-N 0 3 277.324 1.991 20 5 CDBDHN CC(COC(=O)c1cncnc1C1CC1)[N+](=O)[O-] ZINC001343654785 964081170 /nfs/dbraw/zinc/08/11/70/964081170.db2.gz XELFTNOZZKMTND-ZETCQYMHSA-N 0 3 251.242 1.176 20 5 CDBDHN CC(COC(=O)[C@]1(C)CCOc2ccccc21)[N+](=O)[O-] ZINC001344809722 964437548 /nfs/dbraw/zinc/43/75/48/964437548.db2.gz YCKYPMBNCQNGGE-IINYFYTJSA-N 0 3 279.292 1.935 20 5 CDBDHN CC(COC(=O)c1cc(C(F)(F)F)n(C)n1)[N+](=O)[O-] ZINC001515230618 976412216 /nfs/dbraw/zinc/41/22/16/976412216.db2.gz RFMOXMFGBIEWPK-RXMQYKEDSA-N 0 3 281.190 1.261 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001573505345 1170677203 /nfs/dbraw/zinc/67/72/03/1170677203.db2.gz ZTUVWEDYDHAAQQ-GFCCVEGCSA-N 0 3 277.324 1.857 20 5 CDBDHN C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])N(C)C1CC1 ZINC000601034559 342460390 /nfs/dbraw/zinc/46/03/90/342460390.db2.gz CFHJELMXGIGHOU-SECBINFHSA-N 0 3 295.314 1.946 20 5 CDBDHN C[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000124351447 187133966 /nfs/dbraw/zinc/13/39/66/187133966.db2.gz PXHPFMCNGDXZQY-CYBMUJFWSA-N 0 3 250.298 1.942 20 5 CDBDHN CC[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C)O ZINC000590659868 342581461 /nfs/dbraw/zinc/58/14/61/342581461.db2.gz LBIIMZDKYQLEBQ-KOLCDFICSA-N 0 3 296.323 1.615 20 5 CDBDHN O=[N+]([O-])c1sccc1NC[C@@H]1CCCN1CCCO ZINC000590708004 342585248 /nfs/dbraw/zinc/58/52/48/342585248.db2.gz FMRHUJRNLCGMOY-JTQLQIEISA-N 0 3 285.369 1.915 20 5 CDBDHN Cc1c(CC(=O)N2CCNCC2(C)C)cccc1[N+](=O)[O-] ZINC000591678319 342641580 /nfs/dbraw/zinc/64/15/80/342641580.db2.gz NEJNFOMWTDJLFL-UHFFFAOYSA-N 0 3 291.351 1.656 20 5 CDBDHN CN(C)CCN(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709936 346856002 /nfs/dbraw/zinc/85/60/02/346856002.db2.gz XXIIRUWVKKXCAF-UHFFFAOYSA-N 0 3 275.312 1.536 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000592543912 342708642 /nfs/dbraw/zinc/70/86/42/342708642.db2.gz XTRYIOAFIATCLA-GFCCVEGCSA-N 0 3 291.351 1.973 20 5 CDBDHN CN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000593249279 342781086 /nfs/dbraw/zinc/78/10/86/342781086.db2.gz PMPGEBBXSFDBTD-UHFFFAOYSA-N 0 3 294.355 1.491 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000573560130 361897404 /nfs/dbraw/zinc/89/74/04/361897404.db2.gz JWJAWOBBTMHPOV-UHFFFAOYSA-N 0 3 268.317 1.003 20 5 CDBDHN C[C@H](NC[C@@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000600707965 342243340 /nfs/dbraw/zinc/24/33/40/342243340.db2.gz CERFVIVJSCTBHU-CMPLNLGQSA-N 0 3 265.313 1.234 20 5 CDBDHN O=C1CCC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])N1 ZINC000594503988 342914538 /nfs/dbraw/zinc/91/45/38/342914538.db2.gz LCWGXDSZMXCTCP-MFKMUULPSA-N 0 3 289.335 1.840 20 5 CDBDHN CCC[C@@H](N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650552 342932575 /nfs/dbraw/zinc/93/25/75/342932575.db2.gz XSAJHPBQKYYUAF-SECBINFHSA-N 0 3 262.273 1.370 20 5 CDBDHN CN(C)CCSc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596155952 343247657 /nfs/dbraw/zinc/24/76/57/343247657.db2.gz MLBJMKZRXYGRFW-UHFFFAOYSA-N 0 3 269.326 1.347 20 5 CDBDHN O=c1[n-]ccc(N2CCC([NH2+]C3CC3)CC2)c1[N+](=O)[O-] ZINC000596167522 343257975 /nfs/dbraw/zinc/25/79/75/343257975.db2.gz JAKBCRLOCGKXHB-UHFFFAOYSA-N 0 3 278.312 1.416 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000596817942 343399335 /nfs/dbraw/zinc/39/93/35/343399335.db2.gz VRIFGRAJKKYMFH-SNVBAGLBSA-N 0 3 293.327 1.018 20 5 CDBDHN CCCN1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000596817931 343399362 /nfs/dbraw/zinc/39/93/62/343399362.db2.gz VRIFGRAJKKYMFH-JTQLQIEISA-N 0 3 293.327 1.018 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CN(C)C ZINC000457211256 365767715 /nfs/dbraw/zinc/76/77/15/365767715.db2.gz RAEXQBTWWLRZLO-UHFFFAOYSA-N 0 3 279.340 1.973 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000598342213 343771100 /nfs/dbraw/zinc/77/11/00/343771100.db2.gz KKIVWYAEFVXFFO-SNVBAGLBSA-N 0 3 295.314 1.948 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1 ZINC000598578192 343834020 /nfs/dbraw/zinc/83/40/20/343834020.db2.gz ZSTNKZYHHBOTMU-AWEZNQCLSA-N 0 3 291.351 1.594 20 5 CDBDHN CC(C)c1ccc(CN[C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599010751 343939373 /nfs/dbraw/zinc/93/93/73/343939373.db2.gz CYTXFSJKBHPBQS-UKRRQHHQSA-N 0 3 294.351 1.958 20 5 CDBDHN COC[C@H](O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000231604284 362329037 /nfs/dbraw/zinc/32/90/37/362329037.db2.gz KYMAEEYUHMMBBX-GFCCVEGCSA-N 0 3 268.313 1.390 20 5 CDBDHN CCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCN(C)CC1 ZINC000599985783 344160157 /nfs/dbraw/zinc/16/01/57/344160157.db2.gz IMIIMGOHBQCYIB-UHFFFAOYSA-N 0 3 281.312 1.744 20 5 CDBDHN CCN[C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000602444296 344430974 /nfs/dbraw/zinc/43/09/74/344430974.db2.gz FNGTYQIYGBIFFX-SECBINFHSA-N 0 3 281.312 1.218 20 5 CDBDHN C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)N(C)C ZINC000602593031 344481414 /nfs/dbraw/zinc/48/14/14/344481414.db2.gz GPROXQFMCWGUQZ-SECBINFHSA-N 0 3 278.312 1.776 20 5 CDBDHN COC[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778656 344593861 /nfs/dbraw/zinc/59/38/61/344593861.db2.gz JMCXYTZIXGEUQU-LLVKDONJSA-N 0 3 268.317 1.068 20 5 CDBDHN NC(=O)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000603846110 344838071 /nfs/dbraw/zinc/83/80/71/344838071.db2.gz QAXGTVADPMMROV-GFCCVEGCSA-N 0 3 277.324 1.335 20 5 CDBDHN Cc1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000292770933 362505857 /nfs/dbraw/zinc/50/58/57/362505857.db2.gz SQWBABMWSRBSQI-OLZOCXBDSA-N 0 3 280.324 1.533 20 5 CDBDHN COc1cc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000344041518 362539524 /nfs/dbraw/zinc/53/95/24/362539524.db2.gz WBNSDNNKDMTSAT-SCRDCRAPSA-N 0 3 292.335 1.806 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(C)C1 ZINC000609574235 345814502 /nfs/dbraw/zinc/81/45/02/345814502.db2.gz WRQRPSQYSMDXQZ-SNVBAGLBSA-N 0 3 263.297 1.793 20 5 CDBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@@H]2C1 ZINC000611510289 346800933 /nfs/dbraw/zinc/80/09/33/346800933.db2.gz HMHXTXJJYNALCV-CMPLNLGQSA-N 0 3 262.313 1.520 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCOC1)CC2 ZINC000088606156 347234347 /nfs/dbraw/zinc/23/43/47/347234347.db2.gz LUXUCQDQVZTUTH-LLVKDONJSA-N 0 3 262.309 1.989 20 5 CDBDHN C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)N1CCCC1 ZINC000058842275 347393568 /nfs/dbraw/zinc/39/35/68/347393568.db2.gz TVUJKJNFOQDGAK-VIFPVBQESA-N 0 3 283.353 1.870 20 5 CDBDHN Cc1cnc(N2CCN(CC(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000090692784 347818338 /nfs/dbraw/zinc/81/83/38/347818338.db2.gz BFDFIGCHIVXFNH-UHFFFAOYSA-N 0 3 294.355 1.191 20 5 CDBDHN CN1CCO[C@@H](CNCc2cccc([N+](=O)[O-])c2)C1 ZINC000105471989 186059567 /nfs/dbraw/zinc/05/95/67/186059567.db2.gz UXYGTEVTASSCDA-ZDUSSCGKSA-N 0 3 265.313 1.015 20 5 CDBDHN C[C@@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000105821516 186075045 /nfs/dbraw/zinc/07/50/45/186075045.db2.gz GUWJGRATUCMPAO-CHWSQXEVSA-N 0 3 293.367 1.482 20 5 CDBDHN CCCc1n[nH]c(C(=O)NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000109620557 186267408 /nfs/dbraw/zinc/26/74/08/186267408.db2.gz VQXJOVALNLGLLH-SECBINFHSA-N 0 3 295.343 1.094 20 5 CDBDHN COC1(CNCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000123096594 187071083 /nfs/dbraw/zinc/07/10/83/187071083.db2.gz KUCLWELCJOJQAB-UHFFFAOYSA-N 0 3 280.324 1.880 20 5 CDBDHN CCOc1ccc([C@H](C)NCCOCCO)cc1[N+](=O)[O-] ZINC000152624652 188033548 /nfs/dbraw/zinc/03/35/48/188033548.db2.gz RJKSYOVKDXDVLB-NSHDSACASA-N 0 3 298.339 1.653 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC000411984274 363396400 /nfs/dbraw/zinc/39/64/00/363396400.db2.gz CKWYEWKZVAPKOJ-OCCSQVGLSA-N 0 3 280.324 1.472 20 5 CDBDHN CC(C)(CN1CCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000308638350 356330156 /nfs/dbraw/zinc/33/01/56/356330156.db2.gz FYHDPGDDUDHSIY-UHFFFAOYSA-N 0 3 293.367 1.795 20 5 CDBDHN CN1C[C@@H]2CCCN(c3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000425290848 283206117 /nfs/dbraw/zinc/20/61/17/283206117.db2.gz YGJNVCUMCQJNQE-GXFFZTMASA-N 0 3 262.313 1.520 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000104531254 283231270 /nfs/dbraw/zinc/23/12/70/283231270.db2.gz IHDGRSHRYMUUOO-UHFFFAOYSA-N 0 3 297.359 1.051 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)[C@@H]2CCOC2)cc1 ZINC000360767340 357684578 /nfs/dbraw/zinc/68/45/78/357684578.db2.gz UJPQHKQSMQXYBZ-OLZOCXBDSA-N 0 3 280.324 1.329 20 5 CDBDHN C[C@H](NCCN(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294384171 199019472 /nfs/dbraw/zinc/01/94/72/199019472.db2.gz RNSJNFFGLVQIRM-VIFPVBQESA-N 0 3 252.318 1.389 20 5 CDBDHN COc1cc(C(=O)NC[C@H](C)N(C)C)c([N+](=O)[O-])cc1F ZINC000294567782 199090421 /nfs/dbraw/zinc/09/04/21/199090421.db2.gz ZTZDYMUAWRWWSZ-QMMMGPOBSA-N 0 3 299.302 1.422 20 5 CDBDHN CO[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000361362260 358170025 /nfs/dbraw/zinc/17/00/25/358170025.db2.gz QOYZZXVDKISEMR-CYBMUJFWSA-N 0 3 293.323 1.644 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000193632522 358311175 /nfs/dbraw/zinc/31/11/75/358311175.db2.gz UNJOXUJOIBWXSW-ZWNOBZJWSA-N 0 3 293.323 1.088 20 5 CDBDHN CSc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000287309030 358386904 /nfs/dbraw/zinc/38/69/04/358386904.db2.gz WBHCRQBFWKYFHX-VIFPVBQESA-N 0 3 297.380 1.997 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237071495 363706462 /nfs/dbraw/zinc/70/64/62/363706462.db2.gz LUWVQTPPCSKXKA-GXFFZTMASA-N 0 3 279.340 1.627 20 5 CDBDHN C[C@H]1CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562488169 360010975 /nfs/dbraw/zinc/01/09/75/360010975.db2.gz OTNPTFFCRBKHBL-GWCFXTLKSA-N 0 3 298.364 1.757 20 5 CDBDHN Cc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)ncc1[N+](=O)[O-] ZINC000073000484 360073047 /nfs/dbraw/zinc/07/30/47/360073047.db2.gz JLROGEZBNFISDW-VXGBXAGGSA-N 0 3 292.339 1.573 20 5 CDBDHN CC1(C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544700361 360800965 /nfs/dbraw/zinc/80/09/65/360800965.db2.gz OPYASWWCJCGSKA-NSHDSACASA-N 0 3 280.324 1.819 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667401 360990547 /nfs/dbraw/zinc/99/05/47/360990547.db2.gz OWCDHKGVBHKHGW-NXEZZACHSA-N 0 3 267.333 1.105 20 5 CDBDHN Cn1c(C(=O)NC2CCN(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000345751056 361483423 /nfs/dbraw/zinc/48/34/23/361483423.db2.gz CUFFDQZEUZNKFG-UHFFFAOYSA-N 0 3 292.339 1.290 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000268139021 364333610 /nfs/dbraw/zinc/33/36/10/364333610.db2.gz KAXCTVQOXIAYDG-GXSJLCMTSA-N 0 3 262.313 1.884 20 5 CDBDHN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCCNCC1 ZINC000037302349 364413919 /nfs/dbraw/zinc/41/39/19/364413919.db2.gz AXOMXLRQLQLWFD-UHFFFAOYSA-N 0 3 283.715 1.684 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3ccncc3)C2)n1 ZINC000575426884 364862491 /nfs/dbraw/zinc/86/24/91/364862491.db2.gz CKFYYBNWJGWICN-CYBMUJFWSA-N 0 3 287.323 1.676 20 5 CDBDHN Cc1n[nH]c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000457135443 365418474 /nfs/dbraw/zinc/41/84/74/365418474.db2.gz WHDKLFKQMABLJN-SNVBAGLBSA-N 0 3 295.343 1.181 20 5 CDBDHN C[C@H](NC[C@@H]1CCCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000459488474 366906457 /nfs/dbraw/zinc/90/64/57/366906457.db2.gz OOSOGZUBKNXKIX-JQWIXIFHSA-N 0 3 277.324 1.772 20 5 CDBDHN CC(C)N(CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774637 366979924 /nfs/dbraw/zinc/97/99/24/366979924.db2.gz ZKLPYVDWEKIWCA-UHFFFAOYSA-N 0 3 256.277 1.937 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCCCC1 ZINC000090512476 367469587 /nfs/dbraw/zinc/46/95/87/367469587.db2.gz CKOKVQOQHGJUCN-UHFFFAOYSA-N 0 3 265.313 1.633 20 5 CDBDHN COc1ccc(CN[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000094943719 367736709 /nfs/dbraw/zinc/73/67/09/367736709.db2.gz RLVHEZPDPXIFLN-JTQLQIEISA-N 0 3 268.313 1.854 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN1CCNC[C@](C)(F)C1 ZINC000420333481 244099097 /nfs/dbraw/zinc/09/90/97/244099097.db2.gz NTOOFJRLQIIYKJ-AWEZNQCLSA-N 0 3 297.330 1.737 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)CN(C)C(C)C ZINC000195314638 372954872 /nfs/dbraw/zinc/95/48/72/372954872.db2.gz SDRFCJYXBPABSB-UHFFFAOYSA-N 0 3 295.339 1.560 20 5 CDBDHN C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000311696948 374263984 /nfs/dbraw/zinc/26/39/84/374263984.db2.gz LPLFHTKZRCDEIZ-VIFPVBQESA-N 0 3 287.341 1.001 20 5 CDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000027772005 374302072 /nfs/dbraw/zinc/30/20/72/374302072.db2.gz ISKNVLQGARPEHM-JTQLQIEISA-N 0 3 281.312 1.792 20 5 CDBDHN C[C@@H](NCC1(CC(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421864320 374337694 /nfs/dbraw/zinc/33/76/94/374337694.db2.gz XQPINKLMUJYUNE-SNVBAGLBSA-N 0 3 277.324 1.901 20 5 CDBDHN C[C@@H](NC[C@@H]1CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000079927704 374430802 /nfs/dbraw/zinc/43/08/02/374430802.db2.gz GUCLOWLAODBYCW-KOLCDFICSA-N 0 3 263.297 1.524 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000117982790 374616922 /nfs/dbraw/zinc/61/69/22/374616922.db2.gz IDHLJMLSXDBGGB-UHFFFAOYSA-N 0 3 280.328 1.167 20 5 CDBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000377932083 374623369 /nfs/dbraw/zinc/62/33/69/374623369.db2.gz NABDENJDNJINCC-UHFFFAOYSA-N 0 3 268.317 1.292 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CO)[C@H]2CCCO2)c1 ZINC000447904372 374721046 /nfs/dbraw/zinc/72/10/46/374721046.db2.gz JWNHACYRUCMUPE-ZIAGYGMSSA-N 0 3 296.323 1.103 20 5 CDBDHN CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000279750952 374956091 /nfs/dbraw/zinc/95/60/91/374956091.db2.gz LJDZFMBYHIHPPO-CYBMUJFWSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@H]1CCC[C@@H](CO)N1CCn1cc([N+](=O)[O-])cn1 ZINC000305193707 375568071 /nfs/dbraw/zinc/56/80/71/375568071.db2.gz DHNMZJKKMRTHJD-QWRGUYRKSA-N 0 3 268.317 1.027 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCC(=O)NC1 ZINC000344846460 375620193 /nfs/dbraw/zinc/62/01/93/375620193.db2.gz IVUFQZQJUKRPAM-LWMSPQMPSA-N 0 3 289.335 1.866 20 5 CDBDHN C[C@H](CC(N)=O)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000344888934 375648784 /nfs/dbraw/zinc/64/87/84/375648784.db2.gz OJPOXGDEEISQGX-AYYIZTPMSA-N 0 3 263.297 1.462 20 5 CDBDHN COc1ccc(CNC[C@@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000227971017 375659835 /nfs/dbraw/zinc/65/98/35/375659835.db2.gz UTSLKGFMKPZJHX-YGRLFVJLSA-N 0 3 296.323 1.233 20 5 CDBDHN Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)N3C)c1[N+](=O)[O-] ZINC000266774116 375670125 /nfs/dbraw/zinc/67/01/25/375670125.db2.gz YXFYECOWCBWWDQ-NEPJUHHUSA-N 0 3 276.340 1.971 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173455963 378430290 /nfs/dbraw/zinc/43/02/90/378430290.db2.gz CFZCJCGEXNESIO-CQSZACIVSA-N 0 3 291.351 1.690 20 5 CDBDHN CCCC[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676288 378524278 /nfs/dbraw/zinc/52/42/78/378524278.db2.gz SGFQMQITGZAORF-ZDUSSCGKSA-N 0 3 279.340 1.771 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492840480 253306279 /nfs/dbraw/zinc/30/62/79/253306279.db2.gz NCMXQIKWXHLPQI-AEZGRPFRSA-N 0 3 277.324 1.674 20 5 CDBDHN CCOC(=O)N1CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C1 ZINC000495903703 253801131 /nfs/dbraw/zinc/80/11/31/253801131.db2.gz MYEBEPCUFSNBJF-UWVGGRQHSA-N 0 3 288.300 1.063 20 5 CDBDHN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000298725447 285163618 /nfs/dbraw/zinc/16/36/18/285163618.db2.gz MKSMMPQGNJZKOB-ZDUSSCGKSA-N 0 3 291.351 1.753 20 5 CDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000288579259 197118047 /nfs/dbraw/zinc/11/80/47/197118047.db2.gz XHSVRKREFDMEPK-ZJUUUORDSA-N 0 3 293.327 1.017 20 5 CDBDHN CC(C)(CNCc1ccccc1[N+](=O)[O-])OCCO ZINC000288445847 197080494 /nfs/dbraw/zinc/08/04/94/197080494.db2.gz MMRJXRFLJUULQC-UHFFFAOYSA-N 0 3 268.313 1.472 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000264355786 391111654 /nfs/dbraw/zinc/11/16/54/391111654.db2.gz AJHMZOLOCBOMRX-SNVBAGLBSA-N 0 3 283.353 1.823 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCCN1C ZINC000345012238 391340643 /nfs/dbraw/zinc/34/06/43/391340643.db2.gz PIKONXUCNVKZJA-IUCAKERBSA-N 0 3 266.301 1.135 20 5 CDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCNCC1 ZINC000415763227 391471509 /nfs/dbraw/zinc/47/15/09/391471509.db2.gz NVTHICIQMNMKOB-UHFFFAOYSA-N 0 3 292.339 1.984 20 5 CDBDHN C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248988099 131119740 /nfs/dbraw/zinc/11/97/40/131119740.db2.gz WRWNJOPTJRYZSN-MFKMUULPSA-N 0 3 250.298 1.798 20 5 CDBDHN CCc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262739772 131257347 /nfs/dbraw/zinc/25/73/47/131257347.db2.gz DMVHEIIMDPOANI-MNOVXSKESA-N 0 3 291.351 1.980 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(CCO)CC2)c1 ZINC000094663486 392770635 /nfs/dbraw/zinc/77/06/35/392770635.db2.gz JJUFOXUFXOCIBZ-UHFFFAOYSA-N 0 3 279.340 1.408 20 5 CDBDHN CC[C@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)OC ZINC000419218008 392887268 /nfs/dbraw/zinc/88/72/68/392887268.db2.gz FKLVAWKFUWXVBY-DGCLKSJQSA-N 0 3 294.355 1.901 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](CO)[C@@H](C)O ZINC000419794620 392895228 /nfs/dbraw/zinc/89/52/28/392895228.db2.gz HBRMGYHOEQXLID-NSSNTSGZSA-N 0 3 280.324 1.329 20 5 CDBDHN Cc1c([C@H](C)N[C@@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000268812993 132070306 /nfs/dbraw/zinc/07/03/06/132070306.db2.gz HOQNPRKLUVOZGM-WDEREUQCSA-N 0 3 277.324 1.785 20 5 CDBDHN COC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268934315 132090582 /nfs/dbraw/zinc/09/05/82/132090582.db2.gz RISNEENERIBABV-GHMZBOCLSA-N 0 3 268.313 1.561 20 5 CDBDHN CSCC[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000269048128 132103749 /nfs/dbraw/zinc/10/37/49/132103749.db2.gz AIEBXYRFMSKKRJ-LLVKDONJSA-N 0 3 297.380 1.334 20 5 CDBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)S1 ZINC000531143308 393056847 /nfs/dbraw/zinc/05/68/47/393056847.db2.gz QKWUNVYKFQKHHF-UWVGGRQHSA-N 0 3 270.358 1.617 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](CO)C1 ZINC000255845739 140336665 /nfs/dbraw/zinc/33/66/65/140336665.db2.gz NHGOUUOXSARHRP-KTLBGCOUSA-N 0 3 262.309 1.922 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)c1 ZINC000359107082 158128277 /nfs/dbraw/zinc/12/82/77/158128277.db2.gz IEXNHLVDTYPXLW-UHFFFAOYSA-N 0 3 277.324 1.729 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000360087956 158459235 /nfs/dbraw/zinc/45/92/35/158459235.db2.gz ZFCAUONQWXCGQD-LLVKDONJSA-N 0 3 294.355 1.347 20 5 CDBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000362025385 159042396 /nfs/dbraw/zinc/04/23/96/159042396.db2.gz KWIWMOWCSPFTCW-GXTWGEPZSA-N 0 3 280.324 1.878 20 5 CDBDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358709 196259807 /nfs/dbraw/zinc/25/98/07/196259807.db2.gz VNLNWWJZTWPLQC-GSDQLPOLSA-N 0 3 297.380 1.739 20 5 CDBDHN CO[C@@H](C)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704342 196372951 /nfs/dbraw/zinc/37/29/51/196372951.db2.gz ONGLHRQNXURQHK-GWCFXTLKSA-N 0 3 268.313 1.595 20 5 CDBDHN Cc1n[nH]cc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040675976 174373393 /nfs/dbraw/zinc/37/33/93/174373393.db2.gz FICHTGCCNJMEDB-UHFFFAOYSA-N 0 3 260.297 1.959 20 5 CDBDHN COc1ccc(CNC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000045107733 175307892 /nfs/dbraw/zinc/30/78/92/175307892.db2.gz BAFNXAUFJFYAST-SNVBAGLBSA-N 0 3 267.329 1.643 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN(C)C ZINC000078438191 177341545 /nfs/dbraw/zinc/34/15/45/177341545.db2.gz QKYBLMCCQZLWPF-UHFFFAOYSA-N 0 3 296.327 1.629 20 5 CDBDHN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000122710264 274369609 /nfs/dbraw/zinc/36/96/09/274369609.db2.gz IEAVVBSZVHGHHV-SSDOTTSWSA-N 0 3 256.693 1.441 20 5 CDBDHN C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])N(C)C ZINC000454271409 274222060 /nfs/dbraw/zinc/22/20/60/274222060.db2.gz GZPBPTYDXIWCHN-JTQLQIEISA-N 0 3 280.328 1.344 20 5 CDBDHN Cc1nc(N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301628014 274842429 /nfs/dbraw/zinc/84/24/29/274842429.db2.gz HXJVOVLNBZYUEH-LBPRGKRZSA-N 0 3 276.340 1.973 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1COC[C@H]1O)CCC2 ZINC000295951341 275038036 /nfs/dbraw/zinc/03/80/36/275038036.db2.gz MFJBVJMFOCPDDV-BFHYXJOUSA-N 0 3 278.308 1.322 20 5 CDBDHN C[C@H](NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176971 278259266 /nfs/dbraw/zinc/25/92/66/278259266.db2.gz GXWJHVFXNNENQG-LBPRGKRZSA-N 0 3 279.340 1.578 20 5 CDBDHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccccc1[N+](=O)[O-] ZINC000266462417 278376655 /nfs/dbraw/zinc/37/66/55/278376655.db2.gz MLAMCTQTCCTFIC-GHMZBOCLSA-N 0 3 287.323 1.852 20 5 CDBDHN CCN(CC)CC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000194400013 280036790 /nfs/dbraw/zinc/03/67/90/280036790.db2.gz OIFNVEBZEVJVNL-UHFFFAOYSA-N 0 3 295.339 1.561 20 5 CDBDHN C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000574179271 294960509 /nfs/dbraw/zinc/96/05/09/294960509.db2.gz DPFPMDFALWJGQQ-QWRGUYRKSA-N 0 3 292.339 1.487 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000575746001 317006753 /nfs/dbraw/zinc/00/67/53/317006753.db2.gz QTDGRVXVMMAGCH-RYUDHWBXSA-N 0 3 294.355 1.719 20 5 CDBDHN Cc1c(CN(C)[C@@H]2CCC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000584151264 327050437 /nfs/dbraw/zinc/05/04/37/327050437.db2.gz RMUJYKBRYMWMGN-CYBMUJFWSA-N 0 3 291.351 1.956 20 5 CDBDHN COCCN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000289556755 518057971 /nfs/dbraw/zinc/05/79/71/518057971.db2.gz YFHVHADXTPVTMZ-UHFFFAOYSA-N 0 3 281.356 1.605 20 5 CDBDHN COC(=O)[C@H](C)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000338422702 523862720 /nfs/dbraw/zinc/86/27/20/523862720.db2.gz RDUJXKJOYDQLJT-LLVKDONJSA-N 0 3 296.323 1.715 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000081554087 524094364 /nfs/dbraw/zinc/09/43/64/524094364.db2.gz XXYKKXNXOVLBGM-LLVKDONJSA-N 0 3 295.339 1.288 20 5 CDBDHN C[C@H]1C[C@@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000340934708 524822811 /nfs/dbraw/zinc/82/28/11/524822811.db2.gz WVUYNIGECCNQGX-CMPLNLGQSA-N 0 3 266.297 1.429 20 5 CDBDHN CC(=O)c1cc(NC[C@H]2CNCCN2C)ccc1[N+](=O)[O-] ZINC000420281949 534823271 /nfs/dbraw/zinc/82/32/71/534823271.db2.gz WEXIEKFNBOLBPS-GFCCVEGCSA-N 0 3 292.339 1.113 20 5 CDBDHN Cc1ccc([C@@H](C)NCCOCCO)cc1[N+](=O)[O-] ZINC000020199230 525726246 /nfs/dbraw/zinc/72/62/46/525726246.db2.gz USJMWZNLYJFRKG-LLVKDONJSA-N 0 3 268.313 1.563 20 5 CDBDHN O=[N+]([O-])c1ccc(CCNCc2cnccn2)cc1 ZINC000054766616 527347004 /nfs/dbraw/zinc/34/70/04/527347004.db2.gz YFNDARISIQDVGU-UHFFFAOYSA-N 0 3 258.281 1.717 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCCn1ccnc1 ZINC000020305972 527400405 /nfs/dbraw/zinc/40/04/05/527400405.db2.gz RRJAAHZOYRNRKU-UHFFFAOYSA-N 0 3 260.297 1.971 20 5 CDBDHN CCN(CC)CCOC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000772086091 575659505 /nfs/dbraw/zinc/65/95/05/575659505.db2.gz AINQPYSOXRZTND-UHFFFAOYSA-N 0 3 295.339 1.984 20 5 CDBDHN C[C@H](CC(N)=O)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526403 576580737 /nfs/dbraw/zinc/58/07/37/576580737.db2.gz BNKDECOHKUIBJC-SSDOTTSWSA-N 0 3 271.704 1.602 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](CO)C1CC1 ZINC000763085003 576711365 /nfs/dbraw/zinc/71/13/65/576711365.db2.gz OCNLWBROIGTVIB-GFCCVEGCSA-N 0 3 266.297 1.464 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H](O)c2ccco2)c1 ZINC000749670298 576956958 /nfs/dbraw/zinc/95/69/58/576956958.db2.gz KOIIMUFHGUCRDH-QWHCGFSZSA-N 0 3 292.291 1.544 20 5 CDBDHN CC(C)Cn1ccc(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000893047834 618099134 /nfs/dbraw/zinc/09/91/34/618099134.db2.gz PYXQHSVQOBCBKT-VIFPVBQESA-N 0 3 255.274 1.361 20 5 CDBDHN CC[C@H](CN1CCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000922591130 618276858 /nfs/dbraw/zinc/27/68/58/618276858.db2.gz PLHIVYPJVRDXGY-CQSZACIVSA-N 0 3 293.367 1.795 20 5 CDBDHN COc1cccc([C@@H](CNCC[N+](=O)[O-])N(C)C)c1 ZINC000899861168 622487710 /nfs/dbraw/zinc/48/77/10/622487710.db2.gz WRGKOSDQAIXGHU-CYBMUJFWSA-N 0 3 267.329 1.164 20 5 CDBDHN CCN(CC)[C@H](CNCC[N+](=O)[O-])c1ccsc1 ZINC000899870279 622495927 /nfs/dbraw/zinc/49/59/27/622495927.db2.gz LKBXLTQQXRIMFK-GFCCVEGCSA-N 0 3 271.386 1.997 20 5 CDBDHN CC[C@H](CO)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000915875575 631848576 /nfs/dbraw/zinc/84/85/76/631848576.db2.gz RZXKXRVUEVHWGV-VHSXEESVSA-N 0 3 281.312 1.282 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCNC3(CC3)C2)c(F)c1 ZINC001158936684 1163844028 /nfs/dbraw/zinc/84/40/28/1163844028.db2.gz OMVKJJUMEBJOEY-UHFFFAOYSA-N 0 3 252.249 1.071 20 5 CDBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC000167824074 719334512 /nfs/dbraw/zinc/33/45/12/719334512.db2.gz CMSJFAYUPVNRAN-UHFFFAOYSA-N 0 3 279.344 1.350 20 5 CDBDHN COC[C@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591990 754105859 /nfs/dbraw/zinc/10/58/59/754105859.db2.gz NRUGVEDOIDUWBH-ZIAGYGMSSA-N 0 3 280.324 1.739 20 5 CDBDHN CC(C)(C)CCN1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000077569452 754432836 /nfs/dbraw/zinc/43/28/36/754432836.db2.gz XPVYPLBCWTVMBA-UHFFFAOYSA-N 0 3 295.387 1.803 20 5 CDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1C(C)C ZINC000835453631 754551789 /nfs/dbraw/zinc/55/17/89/754551789.db2.gz FBWOKKATUSBZSB-VIFPVBQESA-N 0 3 255.274 1.594 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000311973087 754718671 /nfs/dbraw/zinc/71/86/71/754718671.db2.gz KEXSTIJBTUYVSE-LBPRGKRZSA-N 0 3 263.297 1.338 20 5 CDBDHN C[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000124301948 754725355 /nfs/dbraw/zinc/72/53/55/754725355.db2.gz ZMKAUQQLDBYDOY-ZETCQYMHSA-N 0 3 265.248 1.393 20 5 CDBDHN C[C@H](NC[C@@H]1CCC(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000851897838 755200362 /nfs/dbraw/zinc/20/03/62/755200362.db2.gz RKWFGRXFZLXNEM-CABZTGNLSA-N 0 3 264.281 1.951 20 5 CDBDHN CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000846889861 755408463 /nfs/dbraw/zinc/40/84/63/755408463.db2.gz PKRXRKLAOHFOAD-CQSZACIVSA-N 0 3 293.367 1.654 20 5 CDBDHN O=[N+]([O-])c1ccc(CCNCCS(=O)(=O)C2CC2)cc1 ZINC000877590597 756231880 /nfs/dbraw/zinc/23/18/80/756231880.db2.gz BSNOIFMSVFNJFY-UHFFFAOYSA-N 0 3 298.364 1.304 20 5 CDBDHN C[C@]1(O)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776598033 756507005 /nfs/dbraw/zinc/50/70/05/756507005.db2.gz OMYVVPIDNGHMJR-KGLIPLIRSA-N 0 3 280.324 1.475 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712287715 756850182 /nfs/dbraw/zinc/85/01/82/756850182.db2.gz BSNAVDTYGMAOFZ-SCDSUCTJSA-N 0 3 262.309 1.798 20 5 CDBDHN CON(C)C(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000808743991 757794026 /nfs/dbraw/zinc/79/40/26/757794026.db2.gz SYTKYKLZNPZKRZ-JTQLQIEISA-N 0 3 281.312 1.655 20 5 CDBDHN CC(COC(=O)c1cnn(-c2ccc(F)cc2)n1)[N+](=O)[O-] ZINC000813112568 758478289 /nfs/dbraw/zinc/47/82/89/758478289.db2.gz INTSWYMRLZCTPS-MRVPVSSYSA-N 0 3 294.242 1.228 20 5 CDBDHN CO[C@@H]1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC001173229204 912319812 /nfs/dbraw/zinc/31/98/12/912319812.db2.gz RNZSHLHGUXZXBQ-DFBGVHRSSA-N 0 3 294.351 1.871 20 5 CDBDHN CCN1CC[C@@H](Oc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC001225663017 903624539 /nfs/dbraw/zinc/62/45/39/903624539.db2.gz PUNOVGNXDJNDQR-SNVBAGLBSA-N 0 3 251.286 1.771 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1N[C@H]1C[C@@H](CO)C1)CNC2 ZINC001168246216 907981163 /nfs/dbraw/zinc/98/11/63/907981163.db2.gz CBTCGDJTLZBOHZ-DKTWLAJQSA-N 0 3 263.297 1.381 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N[C@@H](CO)c2ccccn2)C1 ZINC001168986126 927569157 /nfs/dbraw/zinc/56/91/57/927569157.db2.gz WFZBVUDEPADSNA-MDZLAQPJSA-N 0 3 265.313 1.150 20 5 CDBDHN C[C@H](N)c1ccn(-c2cnc(Cl)cc2[N+](=O)[O-])n1 ZINC001169230586 927836611 /nfs/dbraw/zinc/83/66/11/927836611.db2.gz TTYRMMIUVHTTDL-LURJTMIESA-N 0 3 267.676 1.849 20 5 CDBDHN COc1cnc(N2C[C@@H]3CCCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266479 929411753 /nfs/dbraw/zinc/41/17/53/929411753.db2.gz SXJNPVLVEUSCOF-GXFFZTMASA-N 0 3 292.339 1.529 20 5 CDBDHN NCc1cn(-c2ccc3ccc([N+](=O)[O-])cc3n2)cn1 ZINC001154906494 937602293 /nfs/dbraw/zinc/60/22/93/937602293.db2.gz GXIYCANTYZTPJN-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CN1CCCC[C@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001120884363 937844750 /nfs/dbraw/zinc/84/47/50/937844750.db2.gz NNIXZZFEMRPFNE-JTQLQIEISA-N 0 3 290.327 1.534 20 5 CDBDHN CN1CC[C@H](Nc2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001156580236 938388582 /nfs/dbraw/zinc/38/85/82/938388582.db2.gz IIQWBIAJXLQPNK-QMMMGPOBSA-N 0 3 256.693 1.759 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001157259877 938470342 /nfs/dbraw/zinc/47/03/42/938470342.db2.gz GQOAMDGACZCCCQ-YPMHNXCESA-N 0 3 276.340 1.829 20 5 CDBDHN Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001159498453 938734917 /nfs/dbraw/zinc/73/49/17/938734917.db2.gz LULVCUJUIMPXBJ-JQWIXIFHSA-N 0 3 280.328 1.395 20 5 CDBDHN C[C@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)[C@H]1CNCCO1 ZINC001159501180 938735896 /nfs/dbraw/zinc/73/58/96/938735896.db2.gz YVUINHGMKKYXCI-IONNQARKSA-N 0 3 286.719 1.432 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NCCCn1ccnc1)CNC2 ZINC001161684729 938920433 /nfs/dbraw/zinc/92/04/33/938920433.db2.gz LJERUPBYEMVYLD-UHFFFAOYSA-N 0 3 287.323 1.897 20 5 CDBDHN O=[N+]([O-])c1c(Cl)ccnc1-n1cnc2c1CNCC2 ZINC001164310095 939451183 /nfs/dbraw/zinc/45/11/83/939451183.db2.gz HDOZPHDMADYREQ-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN O=[N+]([O-])c1cnc(Cl)cc1-n1ncc2c1CCNC2 ZINC001165218859 939526355 /nfs/dbraw/zinc/52/63/55/939526355.db2.gz QKFNZFVQYUYTKU-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN COC(=O)[C@@H](O[C@H]1CCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638874 941689148 /nfs/dbraw/zinc/68/91/48/941689148.db2.gz ABWVCUZTILHDEE-GWCFXTLKSA-N 0 3 294.307 1.530 20 5 CDBDHN CCN1CC[C@H](Oc2ccc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC001227295040 942164017 /nfs/dbraw/zinc/16/40/17/942164017.db2.gz IBLTVALNZVIEDK-NSHDSACASA-N 0 3 294.307 1.854 20 5 CDBDHN COCC(=O)NCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001230939135 942737965 /nfs/dbraw/zinc/73/79/65/942737965.db2.gz ACDFXUQAIMERAI-UHFFFAOYSA-N 0 3 295.339 1.179 20 5 CDBDHN CN1CC[C@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231053262 942769225 /nfs/dbraw/zinc/76/92/25/942769225.db2.gz NBWPHZJQBXSTNF-VIFPVBQESA-N 0 3 274.280 1.621 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCC1OCCO1)C2 ZINC001254575474 947535214 /nfs/dbraw/zinc/53/52/14/947535214.db2.gz QXVOKROEYFNDPC-LLVKDONJSA-N 0 3 264.281 1.025 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCN[C@@H](c2ccccc2)C1 ZINC001307214708 956379351 /nfs/dbraw/zinc/37/93/51/956379351.db2.gz QEIVKHYAQOURSR-GFCCVEGCSA-N 0 3 287.323 1.479 20 5 CDBDHN CN(C)c1ccccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC001308316397 956515122 /nfs/dbraw/zinc/51/51/22/956515122.db2.gz LIDBYEYVZXVSGU-UHFFFAOYSA-N 0 3 289.339 1.647 20 5 CDBDHN CC(C)c1ccc(C(=O)NOCCN(C)C)cc1[N+](=O)[O-] ZINC001330817976 956646771 /nfs/dbraw/zinc/64/67/71/956646771.db2.gz BQLNPWIQXYZDDB-UHFFFAOYSA-N 0 3 295.339 1.941 20 5 CDBDHN O=[N+]([O-])c1cc(CO)c(N[C@H]2CN3CCC2CC3)cc1F ZINC001337316098 961108771 /nfs/dbraw/zinc/10/87/71/961108771.db2.gz ONJOOUNVMNVITO-ZDUSSCGKSA-N 0 3 295.314 1.732 20 5 CDBDHN CCCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC001343664777 964082665 /nfs/dbraw/zinc/08/26/65/964082665.db2.gz TUAQKRZISNZFOU-MRVPVSSYSA-N 0 3 255.274 1.424 20 5 CDBDHN O=[N+]([O-])c1ccc(-n2cc(CNCC3CC3)nn2)nc1 ZINC001349921868 966530054 /nfs/dbraw/zinc/53/00/54/966530054.db2.gz CUUGDQFRLIYSHD-UHFFFAOYSA-N 0 3 274.284 1.070 20 5 CDBDHN Cc1ccc(CN[C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601159635 342484114 /nfs/dbraw/zinc/48/41/14/342484114.db2.gz NJRCRDZBPKBVCS-DGCLKSJQSA-N 0 3 266.297 1.143 20 5 CDBDHN CO[C@@H]1COC[C@H]1N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000564964902 365559213 /nfs/dbraw/zinc/55/92/13/365559213.db2.gz DYGCUCJWQJRBHM-UXIGCNINSA-N 0 3 294.351 1.919 20 5 CDBDHN CN1CC[C@@H]2CN(c3ccsc3[N+](=O)[O-])C[C@@H]21 ZINC000590719127 342585869 /nfs/dbraw/zinc/58/58/69/342585869.db2.gz VWTMLEDMABMXLR-SCZZXKLOSA-N 0 3 253.327 1.797 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC1(C)C ZINC000591678335 342641494 /nfs/dbraw/zinc/64/14/94/342641494.db2.gz OQVNIAHZZTWTCR-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN C[C@H](Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)N(C)C ZINC000592349612 342686293 /nfs/dbraw/zinc/68/62/93/342686293.db2.gz PQUIIHRMVPLCNW-SECBINFHSA-N 0 3 292.295 1.362 20 5 CDBDHN CN(CCN1CCCCC1)c1c([N+](=O)[O-])ncn1C ZINC000593515793 342805532 /nfs/dbraw/zinc/80/55/32/342805532.db2.gz KIRNQYBHGKZHOV-UHFFFAOYSA-N 0 3 267.333 1.250 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(CO)CC1 ZINC000594496352 342914193 /nfs/dbraw/zinc/91/41/93/342914193.db2.gz KSWKZGLCWSCILB-LBPRGKRZSA-N 0 3 262.309 1.944 20 5 CDBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCN1C ZINC000158550129 342290379 /nfs/dbraw/zinc/29/03/79/342290379.db2.gz SHZBSKLZWANCRD-IUCAKERBSA-N 0 3 251.290 1.279 20 5 CDBDHN COC[C@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019526 342995885 /nfs/dbraw/zinc/99/58/85/342995885.db2.gz QKUKBTVRPYXGIJ-QMTHXVAHSA-N 0 3 298.339 1.651 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN(C)C ZINC000595047530 342999324 /nfs/dbraw/zinc/99/93/24/342999324.db2.gz GLUSYRGRPYUMJP-JTQLQIEISA-N 0 3 267.329 1.816 20 5 CDBDHN O=c1[nH]ccc(N2CC[C@H](N3CC=CC3)C2)c1[N+](=O)[O-] ZINC000596142599 343242149 /nfs/dbraw/zinc/24/21/49/343242149.db2.gz UBBDFMXRURSNRZ-JTQLQIEISA-N 0 3 276.296 1.146 20 5 CDBDHN COC(=O)c1ccnc(NC[C@@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000598594167 343839678 /nfs/dbraw/zinc/83/96/78/343839678.db2.gz ZRKQDTPXXBGJQL-VIFPVBQESA-N 0 3 294.311 1.140 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H]1CCSC1 ZINC000602798204 344588799 /nfs/dbraw/zinc/58/87/99/344588799.db2.gz YKAIUVKXNHJCRF-JTQLQIEISA-N 0 3 270.358 1.537 20 5 CDBDHN CCN1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602826552 344612215 /nfs/dbraw/zinc/61/22/15/344612215.db2.gz BUNRJSJAOCBWPK-NSHDSACASA-N 0 3 281.360 1.126 20 5 CDBDHN O=[N+]([O-])c1ccsc1NC[C@@H]1CSCCN1 ZINC000603418235 344807747 /nfs/dbraw/zinc/80/77/47/344807747.db2.gz FBUNOQCNVALTGF-SSDOTTSWSA-N 0 3 259.356 1.773 20 5 CDBDHN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057715821 347084790 /nfs/dbraw/zinc/08/47/90/347084790.db2.gz JHJROUOOVYYEIC-SNVBAGLBSA-N 0 3 277.324 1.807 20 5 CDBDHN Cc1c(CC(=O)NC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000159855677 362550617 /nfs/dbraw/zinc/55/06/17/362550617.db2.gz ZETPURBKDSMKKI-UHFFFAOYSA-N 0 3 291.351 1.656 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H](O)CC2)c1 ZINC000293037004 362526680 /nfs/dbraw/zinc/52/66/80/362526680.db2.gz GPRTVSBMGOTQHV-ZDUSSCGKSA-N 0 3 250.298 1.942 20 5 CDBDHN CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N(C)C ZINC000045308481 346594730 /nfs/dbraw/zinc/59/47/30/346594730.db2.gz RDJVHZJFTNZWOT-SNVBAGLBSA-N 0 3 282.344 1.629 20 5 CDBDHN CC(C)(O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664988 349128325 /nfs/dbraw/zinc/12/83/25/349128325.db2.gz YGJZMUXSDCEKPT-JTQLQIEISA-N 0 3 280.328 1.247 20 5 CDBDHN C[C@H](NC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090848563 180045376 /nfs/dbraw/zinc/04/53/76/180045376.db2.gz KGXVJHOWCRTRKC-GWCFXTLKSA-N 0 3 266.297 1.397 20 5 CDBDHN Cc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000091299194 180125802 /nfs/dbraw/zinc/12/58/02/180125802.db2.gz OFCNTQYSDOUKJY-LLVKDONJSA-N 0 3 279.296 1.220 20 5 CDBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000107673736 186184369 /nfs/dbraw/zinc/18/43/69/186184369.db2.gz ZLBVCCCHNLSURS-SNVBAGLBSA-N 0 3 266.301 1.122 20 5 CDBDHN CC(C)(C)[C@@H](NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000109332021 186247751 /nfs/dbraw/zinc/24/77/51/186247751.db2.gz FOXDTCGDHOXINS-LBPRGKRZSA-N 0 3 295.339 1.463 20 5 CDBDHN C[C@H](CO)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000111158535 186362436 /nfs/dbraw/zinc/36/24/36/186362436.db2.gz CLXYOSWPPNBVCK-QMMMGPOBSA-N 0 3 258.705 1.966 20 5 CDBDHN COc1cccc(C(=O)NC(C)(C)CN(C)C)c1[N+](=O)[O-] ZINC000411103115 363128540 /nfs/dbraw/zinc/12/85/40/363128540.db2.gz USHLMXJFGURJLW-UHFFFAOYSA-N 0 3 295.339 1.673 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157298397 188308387 /nfs/dbraw/zinc/30/83/87/188308387.db2.gz GINAYMCBXFNNPV-SNVBAGLBSA-N 0 3 292.339 1.343 20 5 CDBDHN Cn1cncc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000157984949 188350727 /nfs/dbraw/zinc/35/07/27/188350727.db2.gz DMCSXEWSBRKJPU-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236714103 363391999 /nfs/dbraw/zinc/39/19/99/363391999.db2.gz HTAAOWGQBCLTCG-LLVKDONJSA-N 0 3 294.355 1.496 20 5 CDBDHN COc1ccc(CNC[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000097441031 356154741 /nfs/dbraw/zinc/15/47/41/356154741.db2.gz VGQYIEMDNBDRKI-SNVBAGLBSA-N 0 3 268.313 1.712 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCCN1C ZINC000283374560 357554549 /nfs/dbraw/zinc/55/45/49/357554549.db2.gz RFNUCHWTAONBSK-AWEZNQCLSA-N 0 3 291.351 1.690 20 5 CDBDHN CN(C)CCN1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000195508466 358434283 /nfs/dbraw/zinc/43/42/83/358434283.db2.gz WJNYNQNQYLFEBW-UHFFFAOYSA-N 0 3 299.400 1.489 20 5 CDBDHN COCCOC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296827867 200008664 /nfs/dbraw/zinc/00/86/64/200008664.db2.gz WETKLSKBOPHAML-FZMZJTMJSA-N 0 3 298.339 1.269 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCN(C)C2)n1 ZINC000166689670 360216939 /nfs/dbraw/zinc/21/69/39/360216939.db2.gz JCSARFJRFWWBAI-SECBINFHSA-N 0 3 294.311 1.140 20 5 CDBDHN Cc1c(CN2CC[C@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000177995587 189084064 /nfs/dbraw/zinc/08/40/64/189084064.db2.gz XLCMAHHYDCHWPL-ZDUSSCGKSA-N 0 3 250.298 1.860 20 5 CDBDHN CN1CCC[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000225588153 360608795 /nfs/dbraw/zinc/60/87/95/360608795.db2.gz RKJPOSJBAVODDS-SNVBAGLBSA-N 0 3 255.343 1.840 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000267421275 360793067 /nfs/dbraw/zinc/79/30/67/360793067.db2.gz KMIRGKNGJXXIAS-LLVKDONJSA-N 0 3 290.327 1.394 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN(C)C2CC2)n1 ZINC000166756952 360850658 /nfs/dbraw/zinc/85/06/58/360850658.db2.gz HLORTANHYZNIKF-UHFFFAOYSA-N 0 3 294.311 1.283 20 5 CDBDHN CN1CC[C@@](O)(CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000358330176 360960072 /nfs/dbraw/zinc/96/00/72/360960072.db2.gz NPJFYKANDWTVLV-GFCCVEGCSA-N 0 3 287.266 1.352 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000582460638 364090941 /nfs/dbraw/zinc/09/09/41/364090941.db2.gz SQDGIGFYRKDGSV-GFCCVEGCSA-N 0 3 291.351 1.595 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000268139024 364331106 /nfs/dbraw/zinc/33/11/06/364331106.db2.gz KAXCTVQOXIAYDG-ONGXEEELSA-N 0 3 262.313 1.884 20 5 CDBDHN Cc1cc(C(=O)NC[C@H](C)N(C)C)c(N)c([N+](=O)[O-])c1 ZINC000264263030 364826705 /nfs/dbraw/zinc/82/67/05/364826705.db2.gz UJYPVRRGGMBGIH-VIFPVBQESA-N 0 3 280.328 1.165 20 5 CDBDHN CC(C)C[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)N(C)C ZINC000122303774 366972442 /nfs/dbraw/zinc/97/24/42/366972442.db2.gz RYEVCCQCWHQLBV-JTQLQIEISA-N 0 3 297.359 1.034 20 5 CDBDHN CCC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668503 369785093 /nfs/dbraw/zinc/78/50/93/369785093.db2.gz FRXSANSWAPVCNR-NSHDSACASA-N 0 3 251.286 1.338 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)C1 ZINC000192559406 372016708 /nfs/dbraw/zinc/01/67/08/372016708.db2.gz YHMMKOUVHJZYAX-GFCCVEGCSA-N 0 3 293.371 1.794 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000194639319 372909119 /nfs/dbraw/zinc/90/91/19/372909119.db2.gz PVZBOPIMGLAVGM-LBPRGKRZSA-N 0 3 291.351 1.975 20 5 CDBDHN O=C(C[C@@H]1CSCCN1)NCc1ccc([N+](=O)[O-])cc1 ZINC000091135350 373747637 /nfs/dbraw/zinc/74/76/37/373747637.db2.gz LSTIUXJUBBXXRK-LLVKDONJSA-N 0 3 295.364 1.306 20 5 CDBDHN Cc1c(NC(=O)C[C@H]2CSCCN2)cccc1[N+](=O)[O-] ZINC000091135065 373748601 /nfs/dbraw/zinc/74/86/01/373748601.db2.gz SRKFFTOQEOIPAH-JTQLQIEISA-N 0 3 295.364 1.937 20 5 CDBDHN Cn1cc(C(C)(C)NCCn2ccc([N+](=O)[O-])n2)cn1 ZINC000547413821 374162766 /nfs/dbraw/zinc/16/27/66/374162766.db2.gz VIUHYXOPQXZFMX-UHFFFAOYSA-N 0 3 278.316 1.050 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298849648 374234521 /nfs/dbraw/zinc/23/45/21/374234521.db2.gz CBSQZMBOGJOZMK-SECBINFHSA-N 0 3 266.301 1.137 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](C)C1 ZINC000299043799 374324278 /nfs/dbraw/zinc/32/42/78/374324278.db2.gz SAAZLUXQBFDMPU-QWRGUYRKSA-N 0 3 294.355 1.773 20 5 CDBDHN CC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423833881 246127709 /nfs/dbraw/zinc/12/77/09/246127709.db2.gz BXNRTYVBQIGZPA-JTQLQIEISA-N 0 3 271.704 1.602 20 5 CDBDHN CCCC[C@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423833249 246128591 /nfs/dbraw/zinc/12/85/91/246128591.db2.gz ZREAJSNVVITIJU-LBPRGKRZSA-N 0 3 292.339 1.392 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081555679 374519548 /nfs/dbraw/zinc/51/95/48/374519548.db2.gz RNLVMKPTYFAYBJ-NSHDSACASA-N 0 3 295.339 1.288 20 5 CDBDHN COCCOC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296221382 374679258 /nfs/dbraw/zinc/67/92/58/374679258.db2.gz GUJDDVQNBDLYEQ-FZMZJTMJSA-N 0 3 298.339 1.269 20 5 CDBDHN Cc1ccc(CN[C@H](CO)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447968771 374728485 /nfs/dbraw/zinc/72/84/85/374728485.db2.gz RUMWOOKKIILYHD-OCCSQVGLSA-N 0 3 280.324 1.533 20 5 CDBDHN C[C@@H](NCCN1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000330382913 374849669 /nfs/dbraw/zinc/84/96/69/374849669.db2.gz JGOPGUFOTYLGOU-CHWSQXEVSA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@@]1(O)CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000279960493 374976600 /nfs/dbraw/zinc/97/66/00/374976600.db2.gz HCHNXRUOMZYQEV-GFCCVEGCSA-N 0 3 268.317 1.028 20 5 CDBDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000280533295 375003241 /nfs/dbraw/zinc/00/32/41/375003241.db2.gz CZUCKDRLNKLNBF-AWEZNQCLSA-N 0 3 277.324 1.553 20 5 CDBDHN CC[C@@](C)(O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000161841990 375191915 /nfs/dbraw/zinc/19/19/15/375191915.db2.gz YUARZVCDOASBBU-SMDDNHRTSA-N 0 3 294.355 1.637 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)C2CC2)c1 ZINC000353075411 375574011 /nfs/dbraw/zinc/57/40/11/375574011.db2.gz XNWPXHDVHHTVOH-LBPRGKRZSA-N 0 3 250.298 1.703 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCN(C)CC1 ZINC000046468209 375796595 /nfs/dbraw/zinc/79/65/95/375796595.db2.gz MOPGXAUSQGWFRT-UHFFFAOYSA-N 0 3 267.285 1.354 20 5 CDBDHN Cc1c([C@H](C)N[C@H]2CCC(=O)NC2)cccc1[N+](=O)[O-] ZINC000358132849 375952967 /nfs/dbraw/zinc/95/29/67/375952967.db2.gz OWPYFGKBHSKAEB-QWRGUYRKSA-N 0 3 277.324 1.832 20 5 CDBDHN C[C@H](NC[C@H](O)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000358043994 375948652 /nfs/dbraw/zinc/94/86/52/375948652.db2.gz HFHYJVBCZSGMBI-SUHUHFCYSA-N 0 3 280.324 1.643 20 5 CDBDHN COCC[C@](C)(O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000172072529 377244497 /nfs/dbraw/zinc/24/44/97/377244497.db2.gz CUPCMJKZQHCOID-AWEZNQCLSA-N 0 3 282.340 1.780 20 5 CDBDHN COC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278694751 194108492 /nfs/dbraw/zinc/10/84/92/194108492.db2.gz QFOCGSPTFXVDBS-KGLIPLIRSA-N 0 3 280.324 1.878 20 5 CDBDHN Nc1nc(N2CC[C@@H](N3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000264587890 391228796 /nfs/dbraw/zinc/22/87/96/391228796.db2.gz LAWAHQIDABELGG-SNVBAGLBSA-N 0 3 292.343 1.032 20 5 CDBDHN CC[C@]1(CO)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000189611706 130000838 /nfs/dbraw/zinc/00/08/38/130000838.db2.gz RUCLQXCNFJUCTJ-GFCCVEGCSA-N 0 3 268.317 1.028 20 5 CDBDHN C[C@H]1CSCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000190470138 130107742 /nfs/dbraw/zinc/10/77/42/130107742.db2.gz LOVPMZDISSCBJB-SNVBAGLBSA-N 0 3 270.358 1.476 20 5 CDBDHN CC(COC(=O)CCN(C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496553019 391923827 /nfs/dbraw/zinc/92/38/27/391923827.db2.gz RPLQGDSDXWEGHV-VIFPVBQESA-N 0 3 290.316 1.452 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000262765954 131260386 /nfs/dbraw/zinc/26/03/86/131260386.db2.gz JFMGKJHCFLTSOK-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN COc1cc(N2CCNC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000212741215 140160305 /nfs/dbraw/zinc/16/03/05/140160305.db2.gz UGCFQUCGVGJBJI-UHFFFAOYSA-N 0 3 265.313 1.792 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)C2(N)CCC2)cc1[N+](=O)[O-] ZINC000449310529 393133547 /nfs/dbraw/zinc/13/35/47/393133547.db2.gz HILUMGOVUPKFDL-SNVBAGLBSA-N 0 3 277.324 1.962 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCC[C@@H]1O ZINC000181469677 148202228 /nfs/dbraw/zinc/20/22/28/148202228.db2.gz RGZVTZWBUOMUCL-RYUDHWBXSA-N 0 3 282.344 1.274 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)C)c1 ZINC000346139303 153068218 /nfs/dbraw/zinc/06/82/18/153068218.db2.gz OJFUOGXSFVWHJK-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000346262583 153116169 /nfs/dbraw/zinc/11/61/69/153116169.db2.gz MEOAERQUWVEXNK-LLVKDONJSA-N 0 3 293.367 1.939 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H]1CC[C@H](CO)O1 ZINC000353709808 156032277 /nfs/dbraw/zinc/03/22/77/156032277.db2.gz SGWRIOSHRFCDRS-SVDKCWMDSA-N 0 3 292.335 1.738 20 5 CDBDHN CCCCN(C)CCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000359024650 158101486 /nfs/dbraw/zinc/10/14/86/158101486.db2.gz BJXRXPXOANRSLF-UHFFFAOYSA-N 0 3 295.343 1.265 20 5 CDBDHN COCC[C@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285310315 196247850 /nfs/dbraw/zinc/24/78/50/196247850.db2.gz SMRONJMDSYCXPZ-MWLCHTKSSA-N 0 3 283.328 1.225 20 5 CDBDHN CCOCC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285265554 196236873 /nfs/dbraw/zinc/23/68/73/196236873.db2.gz IFVDFYXHYLSSSY-AWEZNQCLSA-N 0 3 296.367 1.857 20 5 CDBDHN CO[C@H](C)CN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569992 196331052 /nfs/dbraw/zinc/33/10/52/196331052.db2.gz HOZUTKBKDVREFX-VXGBXAGGSA-N 0 3 298.339 1.301 20 5 CDBDHN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000040676161 174373740 /nfs/dbraw/zinc/37/37/40/174373740.db2.gz MGSGNDHNLKJWNA-JTQLQIEISA-N 0 3 265.313 1.204 20 5 CDBDHN Cc1cc(N[C@H](C)CN2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000078543580 177352319 /nfs/dbraw/zinc/35/23/19/177352319.db2.gz GABFJRGXYXUOQR-CYBMUJFWSA-N 0 3 292.383 1.951 20 5 CDBDHN COC[C@H](O)CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193063419 274051267 /nfs/dbraw/zinc/05/12/67/274051267.db2.gz CLJSSZJSBHJOET-HIFRSBDPSA-N 0 3 294.351 1.959 20 5 CDBDHN CNc1nc(C(=O)NC(C)(C)CN(C)C)ccc1[N+](=O)[O-] ZINC000457235442 277304023 /nfs/dbraw/zinc/30/40/23/277304023.db2.gz JSPYFDJTDJONDS-UHFFFAOYSA-N 0 3 295.343 1.102 20 5 CDBDHN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346685535 277353479 /nfs/dbraw/zinc/35/34/79/277353479.db2.gz SQAINFHKFWMVHN-ZWNOBZJWSA-N 0 3 278.308 1.978 20 5 CDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046602521 279149193 /nfs/dbraw/zinc/14/91/93/279149193.db2.gz RULAYIIWJUXIJE-LBPRGKRZSA-N 0 3 266.297 1.429 20 5 CDBDHN O=C(CCc1cccc([N+](=O)[O-])c1)NCCN1CCCC1 ZINC000087006825 279253593 /nfs/dbraw/zinc/25/35/93/279253593.db2.gz RBTPBOZVJYCNKP-UHFFFAOYSA-N 0 3 291.351 1.739 20 5 CDBDHN C[C@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192721315 279361018 /nfs/dbraw/zinc/36/10/18/279361018.db2.gz ZZZMFULOAVGKLA-RNCFNFMXSA-N 0 3 250.298 1.943 20 5 CDBDHN CCN(C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522188854 281091580 /nfs/dbraw/zinc/09/15/80/281091580.db2.gz GKHQRRAAQBIWOE-UHFFFAOYSA-N 0 3 295.295 1.005 20 5 CDBDHN COC[C@@](C)(O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000553473512 290121385 /nfs/dbraw/zinc/12/13/85/290121385.db2.gz GBQNDGRIIXBTTQ-VSKVDJIOSA-N 0 3 280.324 1.595 20 5 CDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000561616413 293095105 /nfs/dbraw/zinc/09/51/05/293095105.db2.gz QXONGOHOAYQDNR-NXEZZACHSA-N 0 3 293.327 1.017 20 5 CDBDHN CC(=O)N1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573741706 294879384 /nfs/dbraw/zinc/87/93/84/294879384.db2.gz KYQVJBGWGFDSKX-SMDDNHRTSA-N 0 3 289.335 1.793 20 5 CDBDHN CN1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000563419424 316304193 /nfs/dbraw/zinc/30/41/93/316304193.db2.gz UYKRRXTVZPBOBS-BXKDBHETSA-N 0 3 275.308 1.402 20 5 CDBDHN CNCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269235422 536440892 /nfs/dbraw/zinc/44/08/92/536440892.db2.gz KLFCDQOAFQMSKZ-UHFFFAOYSA-N 0 3 257.677 1.084 20 5 CDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCN1 ZINC000052943198 526726727 /nfs/dbraw/zinc/72/67/27/526726727.db2.gz AZHYMOFQXPNKQU-LBPRGKRZSA-N 0 3 263.297 1.353 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@H](CO)C2CC2)c2c(c1)COCO2 ZINC000734161769 575160675 /nfs/dbraw/zinc/16/06/75/575160675.db2.gz YZBAZMYOJUOPFI-CYBMUJFWSA-N 0 3 294.307 1.322 20 5 CDBDHN C[C@@]1(CO)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893724 576441495 /nfs/dbraw/zinc/44/14/95/576441495.db2.gz OJRTVPRXSYXAJI-KBPBESRZSA-N 0 3 280.324 1.475 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](CCO)C2)c1 ZINC000750050088 576973654 /nfs/dbraw/zinc/97/36/54/576973654.db2.gz ALANKIOREVJXIE-WFASDCNBSA-N 0 3 294.351 1.723 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903296427 625955704 /nfs/dbraw/zinc/95/57/04/625955704.db2.gz IESLHJBLRGPVOP-MRCXROJRSA-N 0 3 295.339 1.632 20 5 CDBDHN Cc1cc(C[C@@H](C)NCC[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000905178742 626662974 /nfs/dbraw/zinc/66/29/74/626662974.db2.gz AFYWDFOUWXRSNR-GFCCVEGCSA-N 0 3 288.351 1.978 20 5 CDBDHN O=[N+]([O-])CCNC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000905231007 626685685 /nfs/dbraw/zinc/68/56/85/626685685.db2.gz IIVZPKBKDZVRJG-HUUCEWRRSA-N 0 3 296.342 1.766 20 5 CDBDHN O=[N+]([O-])CCNCCc1cc(C(F)(F)F)ccn1 ZINC000905269099 626726118 /nfs/dbraw/zinc/72/61/18/626726118.db2.gz ULCJJDZHRRDZAV-UHFFFAOYSA-N 0 3 263.219 1.509 20 5 CDBDHN COC(=O)Cc1ccc(NCC2CN(C)C2)cc1[N+](=O)[O-] ZINC001170256846 1162319585 /nfs/dbraw/zinc/31/95/85/1162319585.db2.gz ZBUBDEPARWEDJC-UHFFFAOYSA-N 0 3 293.323 1.284 20 5 CDBDHN COc1ccc(C[C@@H](C)NCC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC001170298156 1162328708 /nfs/dbraw/zinc/32/87/08/1162328708.db2.gz GRXDTXNIZOCENA-SNVBAGLBSA-N 0 3 295.339 1.212 20 5 CDBDHN COc1ccc(C[C@H](C)N[C@H]2COC(=O)C2)c([N+](=O)[O-])c1 ZINC001170304955 1162329131 /nfs/dbraw/zinc/32/91/31/1162329131.db2.gz IMSGXMKUELPZQB-GXSJLCMTSA-N 0 3 294.307 1.440 20 5 CDBDHN CNCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001578622375 1171964851 /nfs/dbraw/zinc/96/48/51/1171964851.db2.gz UZXZVHGHNONSFU-UHFFFAOYSA-N 0 3 275.268 1.143 20 5 CDBDHN Cc1ccc(NC[C@]2(C)CNCCO2)c([N+](=O)[O-])c1 ZINC001579723684 1172249426 /nfs/dbraw/zinc/24/94/26/1172249426.db2.gz IFOFOHMNDSVVFY-ZDUSSCGKSA-N 0 3 265.313 1.694 20 5 CDBDHN COCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000159749179 1178248330 /nfs/dbraw/zinc/24/83/30/1178248330.db2.gz PCKIMZZVTQHWRJ-JTQLQIEISA-N 0 3 281.312 1.514 20 5 CDBDHN CN1CC[C@@H]2CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C[C@@H]21 ZINC000828987850 768830585 /nfs/dbraw/zinc/83/05/85/768830585.db2.gz MJCDCOKCRGIPBG-SKDRFNHKSA-N 0 3 292.295 1.643 20 5 CDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(OC)c1OC ZINC000813110773 770366017 /nfs/dbraw/zinc/36/60/17/770366017.db2.gz IYCQKIBHBZYIQI-QMMMGPOBSA-N 0 3 299.279 1.534 20 5 CDBDHN Cc1n[nH]cc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818949974 770430908 /nfs/dbraw/zinc/43/09/08/770430908.db2.gz RCBWUKPFSGCUDS-CYBMUJFWSA-N 0 3 276.296 1.450 20 5 CDBDHN O=[N+]([O-])CCN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000929311942 770464928 /nfs/dbraw/zinc/46/49/28/770464928.db2.gz WKFOBOJCOLBFCD-BETUJISGSA-N 0 3 261.325 1.331 20 5 CDBDHN CCn1cc(-c2n[nH]cc2C(=O)OCC(C)[N+](=O)[O-])cn1 ZINC000813104982 771332727 /nfs/dbraw/zinc/33/27/27/771332727.db2.gz ISOYJDOSZWMCJL-QMMMGPOBSA-N 0 3 293.283 1.115 20 5 CDBDHN Cc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819065971 771793919 /nfs/dbraw/zinc/79/39/19/771793919.db2.gz WNGSVPAXBRJADA-ZDUSSCGKSA-N 0 3 276.296 1.450 20 5 CDBDHN Cc1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000819065971 771793920 /nfs/dbraw/zinc/79/39/20/771793920.db2.gz WNGSVPAXBRJADA-ZDUSSCGKSA-N 0 3 276.296 1.450 20 5 CDBDHN CC(COC(=O)C[C@H](C)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113675 771934420 /nfs/dbraw/zinc/93/44/20/771934420.db2.gz SKECDGRGHIGWTI-QWRGUYRKSA-N 0 3 294.307 1.403 20 5 CDBDHN CN(C)CCN(C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823986382 772122530 /nfs/dbraw/zinc/12/25/30/772122530.db2.gz IJNYYSPLIJOFHJ-UHFFFAOYSA-N 0 3 281.316 1.202 20 5 CDBDHN COC[C@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC000893179732 772600430 /nfs/dbraw/zinc/60/04/30/772600430.db2.gz APCSTCNMSGPOJJ-NSHDSACASA-N 0 3 296.323 1.824 20 5 CDBDHN CC(=O)NCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105405 772718021 /nfs/dbraw/zinc/71/80/21/772718021.db2.gz YVERQSKVMLNEHL-VIFPVBQESA-N 0 3 280.280 1.145 20 5 CDBDHN CC(COC(=O)[C@@H]1CCc2ccccc2O1)[N+](=O)[O-] ZINC000842363553 772727797 /nfs/dbraw/zinc/72/77/97/772727797.db2.gz KUPDBHKALZLNQE-CABZTGNLSA-N 0 3 265.265 1.589 20 5 CDBDHN CON(C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850482865 773075459 /nfs/dbraw/zinc/07/54/59/773075459.db2.gz VKXMHFFUHVJGLW-JTQLQIEISA-N 0 3 253.302 1.739 20 5 CDBDHN CC(COC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)[N+](=O)[O-] ZINC000845576641 773380735 /nfs/dbraw/zinc/38/07/35/773380735.db2.gz OIVZWGIMRLBQPW-IWSPIJDZSA-N 0 3 299.245 1.942 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCCC[C@H]2CO)cc1 ZINC000776579259 773522370 /nfs/dbraw/zinc/52/23/70/773522370.db2.gz LGVQOERTMXKKCC-KBPBESRZSA-N 0 3 280.324 1.475 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](C3OCCO3)C2)cc1 ZINC000719068821 773540673 /nfs/dbraw/zinc/54/06/73/773540673.db2.gz VYJBKPMMAKMANM-LBPRGKRZSA-N 0 3 278.308 1.790 20 5 CDBDHN C/C=C(\C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125438625 895491784 /nfs/dbraw/zinc/49/17/84/895491784.db2.gz WIDKSTXQBKVWSZ-QDEBKDIKSA-N 0 3 277.324 1.767 20 5 CDBDHN C[C@@H](N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000692715136 899978309 /nfs/dbraw/zinc/97/83/09/899978309.db2.gz GAASAVDHXYOGOO-SSDOTTSWSA-N 0 3 265.248 1.393 20 5 CDBDHN Cc1cc(Cl)nc(N2CCN3CC[C@H]2C3)c1[N+](=O)[O-] ZINC001165144712 924991712 /nfs/dbraw/zinc/99/17/12/924991712.db2.gz VAYAMHICHSUCKP-VIFPVBQESA-N 0 3 282.731 1.846 20 5 CDBDHN CCn1ccc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168972649 927597120 /nfs/dbraw/zinc/59/71/20/927597120.db2.gz NOMHZHUUNQBTNS-QWRGUYRKSA-N 0 3 252.318 1.438 20 5 CDBDHN NC(=O)[C@@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168975866 927598943 /nfs/dbraw/zinc/59/89/43/927598943.db2.gz XRQLTUABVVNCGH-DRZSPHRISA-N 0 3 277.324 1.248 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCOCC23CCC3)C1 ZINC001169033934 927640812 /nfs/dbraw/zinc/64/08/12/927640812.db2.gz DUHNDWNNMUHZBA-VXGBXAGGSA-N 0 3 254.330 1.687 20 5 CDBDHN COC(=O)[C@H](C(C)C)N(C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039974 927653423 /nfs/dbraw/zinc/65/34/23/927653423.db2.gz WNDWBEHPVZIBLT-SRVKXCTJSA-N 0 3 272.345 1.561 20 5 CDBDHN Cc1nc2c(n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CNCC2 ZINC001169039906 927653668 /nfs/dbraw/zinc/65/36/68/927653668.db2.gz VQFRNHNJNLSGFQ-GHMZBOCLSA-N 0 3 264.329 1.455 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ccc3c(n2)[nH]cc3[N+](=O)[O-])n1 ZINC001169228250 927828494 /nfs/dbraw/zinc/82/84/94/927828494.db2.gz NPJHLZXBWVTREZ-SSDOTTSWSA-N 0 3 272.268 1.677 20 5 CDBDHN COCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124088984 936283205 /nfs/dbraw/zinc/28/32/05/936283205.db2.gz PAUWTXDDNHYDBS-UHFFFAOYSA-N 0 3 295.339 1.227 20 5 CDBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(N)n2)C(C)(C)C1 ZINC001158561745 938637447 /nfs/dbraw/zinc/63/74/47/938637447.db2.gz NOEQJTYPJLBIOA-UHFFFAOYSA-N 0 3 279.344 1.493 20 5 CDBDHN NCc1ccnn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001162585470 939094319 /nfs/dbraw/zinc/09/43/19/939094319.db2.gz FRAVKRUCCVCSJM-UHFFFAOYSA-N 0 3 258.241 1.116 20 5 CDBDHN CN(C)C1CN(c2ccc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001163934154 939357913 /nfs/dbraw/zinc/35/79/13/939357913.db2.gz ZMKLCIQWHUTIEP-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN O=[N+]([O-])c1ccc2ccnc(-n3cnc4c3CNCC4)c2c1 ZINC001164316681 939453140 /nfs/dbraw/zinc/45/31/40/939453140.db2.gz MURPAWHCJLFZCS-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN CC(C)(C)N1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001165087930 939508233 /nfs/dbraw/zinc/50/82/33/939508233.db2.gz KMNJZAFMQQXQON-UHFFFAOYSA-N 0 3 264.329 1.910 20 5 CDBDHN Cc1cc2nc(O[C@H]3CCC[NH2+]C3)[n-]c2cc1[N+](=O)[O-] ZINC001218283930 941051012 /nfs/dbraw/zinc/05/10/12/941051012.db2.gz LXWBJHAXAYFQCF-VIFPVBQESA-N 0 3 276.296 1.910 20 5 CDBDHN Cc1cc2[n-]c(O[C@H]3CCC[NH2+]C3)nc2cc1[N+](=O)[O-] ZINC001218283930 941051014 /nfs/dbraw/zinc/05/10/14/941051014.db2.gz LXWBJHAXAYFQCF-VIFPVBQESA-N 0 3 276.296 1.910 20 5 CDBDHN COc1cccc2nc(=O)[n-]c(O[C@@H](C)C[N+](C)(C)C)c21 ZINC001229237793 942437862 /nfs/dbraw/zinc/43/78/62/942437862.db2.gz BDJLVJMSVBWXGM-JTQLQIEISA-O 0 3 292.359 1.818 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118734 942790365 /nfs/dbraw/zinc/79/03/65/942790365.db2.gz UDEUXMNXXYVEEE-JTQLQIEISA-N 0 3 262.337 1.340 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118734 942790371 /nfs/dbraw/zinc/79/03/71/942790371.db2.gz UDEUXMNXXYVEEE-JTQLQIEISA-N 0 3 262.337 1.340 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(=O)N(C)CC1 ZINC001254561653 947524594 /nfs/dbraw/zinc/52/45/94/947524594.db2.gz HSTRQYLQPBPAOT-GFCCVEGCSA-N 0 3 291.351 1.690 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@H](F)[C@H](O)C1)C2 ZINC001254597933 947547931 /nfs/dbraw/zinc/54/79/31/947547931.db2.gz JMLMZPFUKTUSML-HZSPNIEDSA-N 0 3 280.299 1.467 20 5 CDBDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC001303798449 956121888 /nfs/dbraw/zinc/12/18/88/956121888.db2.gz BDJRPEISQKOJQJ-MWLCHTKSSA-N 0 3 292.339 1.308 20 5 CDBDHN CC(COC(=O)[C@@H]1CC(=O)N(C)c2ccccc21)[N+](=O)[O-] ZINC001343370799 963961735 /nfs/dbraw/zinc/96/17/35/963961735.db2.gz FSUCGZYNIXZTDG-MWLCHTKSSA-N 0 3 292.291 1.345 20 5 CDBDHN CC(COC(=O)c1cc(C2CC2)nn1C)[N+](=O)[O-] ZINC001343647710 964076771 /nfs/dbraw/zinc/07/67/71/964076771.db2.gz HAIBMCISHKWYIE-SSDOTTSWSA-N 0 3 253.258 1.120 20 5 CDBDHN CCCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC001343664778 964082856 /nfs/dbraw/zinc/08/28/56/964082856.db2.gz TUAQKRZISNZFOU-QMMMGPOBSA-N 0 3 255.274 1.424 20 5 CDBDHN CN1CC[C@@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)[C@H]2C1 ZINC000590582734 342576824 /nfs/dbraw/zinc/57/68/24/342576824.db2.gz TYZWMFVMRCRQLG-KOLCDFICSA-N 0 3 277.328 1.102 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN2CCCO)s1 ZINC000590708024 342585226 /nfs/dbraw/zinc/58/52/26/342585226.db2.gz RHVWUSBIDCWKPN-JTQLQIEISA-N 0 3 285.369 1.915 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000457198751 365634038 /nfs/dbraw/zinc/63/40/38/365634038.db2.gz BPCOXSSPVRBSSC-UHFFFAOYSA-N 0 3 297.330 1.733 20 5 CDBDHN CCC1(CO)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000128192859 361884274 /nfs/dbraw/zinc/88/42/74/361884274.db2.gz CFOLICWCKJWBRT-UHFFFAOYSA-N 0 3 282.344 1.276 20 5 CDBDHN C[C@H](N[C@@H](CO)CCF)c1cccc([N+](=O)[O-])c1 ZINC000593718730 342828543 /nfs/dbraw/zinc/82/85/43/342828543.db2.gz QBZFESTWGYRGPA-GXSJLCMTSA-N 0 3 256.277 1.966 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000609383636 342265672 /nfs/dbraw/zinc/26/56/72/342265672.db2.gz YBQQFZLJJFCRIG-LLVKDONJSA-N 0 3 292.339 1.147 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)C(F)F ZINC000594496708 342914039 /nfs/dbraw/zinc/91/40/39/342914039.db2.gz RXOVIHMSSQNKSI-MWLCHTKSSA-N 0 3 272.251 1.798 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](CO)CCF ZINC000594508780 342914803 /nfs/dbraw/zinc/91/48/03/342914803.db2.gz WBASIGKCAROZGE-SKDRFNHKSA-N 0 3 268.288 1.892 20 5 CDBDHN C[C@@H]1CCN[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000126075262 187215117 /nfs/dbraw/zinc/21/51/17/187215117.db2.gz RQNCPBXJPYYTSS-BXKDBHETSA-N 0 3 263.297 1.921 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000108344753 349736173 /nfs/dbraw/zinc/73/61/73/349736173.db2.gz VUHPJYLEGLNFEF-LBPRGKRZSA-N 0 3 291.351 1.975 20 5 CDBDHN COC[C@@](C)(O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595019527 342995928 /nfs/dbraw/zinc/99/59/28/342995928.db2.gz QKUKBTVRPYXGIJ-YGRLFVJLSA-N 0 3 298.339 1.651 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595875582 343178294 /nfs/dbraw/zinc/17/82/94/343178294.db2.gz QYWYJWGUMGKSMG-SWLSCSKDSA-N 0 3 294.351 1.924 20 5 CDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000596074058 343225928 /nfs/dbraw/zinc/22/59/28/343225928.db2.gz QJZIPVAHXBJAHN-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN C[N@@H+]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596119691 343233037 /nfs/dbraw/zinc/23/30/37/343233037.db2.gz MUZHBGZWLLMGOT-VIFPVBQESA-N 0 3 266.301 1.449 20 5 CDBDHN C[N@H+]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596119691 343233039 /nfs/dbraw/zinc/23/30/39/343233039.db2.gz MUZHBGZWLLMGOT-VIFPVBQESA-N 0 3 266.301 1.449 20 5 CDBDHN C[C@@H](CN1CCC(C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000596489875 343330048 /nfs/dbraw/zinc/33/00/48/343330048.db2.gz XGOWBBLZRMAPME-JTQLQIEISA-N 0 3 294.359 1.330 20 5 CDBDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090413814 342394975 /nfs/dbraw/zinc/39/49/75/342394975.db2.gz GCGQFHYNJIGGRG-GXFFZTMASA-N 0 3 277.324 1.866 20 5 CDBDHN CCOc1cc(NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175694 343965492 /nfs/dbraw/zinc/96/54/92/343965492.db2.gz IHVHQOPSOFETPB-GFCCVEGCSA-N 0 3 295.339 1.472 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000602801110 344590441 /nfs/dbraw/zinc/59/04/41/344590441.db2.gz ZUUADOHEEMDOPQ-MNOVXSKESA-N 0 3 281.360 1.124 20 5 CDBDHN COC(=O)C[C@H]1CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602796126 344587051 /nfs/dbraw/zinc/58/70/51/344587051.db2.gz KFSRQAJYAJNOTL-LLVKDONJSA-N 0 3 296.327 1.127 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@@H]1CSCCN1 ZINC000603420377 344799911 /nfs/dbraw/zinc/79/99/11/344799911.db2.gz TWNKUNLHWROXKZ-MRVPVSSYSA-N 0 3 254.315 1.107 20 5 CDBDHN Cc1ccnc(NC[C@@H]2CSCCN2)c1[N+](=O)[O-] ZINC000603418585 344807778 /nfs/dbraw/zinc/80/77/78/344807778.db2.gz GVUCMLRNWWHLFF-SECBINFHSA-N 0 3 268.342 1.415 20 5 CDBDHN CN1CCN(CCCCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603850975 344840027 /nfs/dbraw/zinc/84/00/27/344840027.db2.gz MMMCSXXXFFTXDA-UHFFFAOYSA-N 0 3 293.371 1.429 20 5 CDBDHN Cc1c(CN2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000051185723 345091609 /nfs/dbraw/zinc/09/16/09/345091609.db2.gz RQYZPNPTIGHHBY-UHFFFAOYSA-N 0 3 277.324 1.601 20 5 CDBDHN CCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000066959126 347548182 /nfs/dbraw/zinc/54/81/82/347548182.db2.gz UFELOXMMWKRDGI-UHFFFAOYSA-N 0 3 265.313 1.585 20 5 CDBDHN CC(=O)N1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000152837375 347622010 /nfs/dbraw/zinc/62/20/10/347622010.db2.gz VULBLHPCEOCCPY-CYBMUJFWSA-N 0 3 277.324 1.614 20 5 CDBDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000129350620 362896995 /nfs/dbraw/zinc/89/69/95/362896995.db2.gz AUYJCRCQTFMZPI-NWDGAFQWSA-N 0 3 250.298 1.844 20 5 CDBDHN CCN(CCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273397690 192138589 /nfs/dbraw/zinc/13/85/89/192138589.db2.gz VVTDPPHXVUJBET-LBPRGKRZSA-N 0 3 298.339 1.039 20 5 CDBDHN CCCN1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000015169298 348522077 /nfs/dbraw/zinc/52/20/77/348522077.db2.gz CMGNNKORAMZHKM-UHFFFAOYSA-N 0 3 291.311 1.663 20 5 CDBDHN CN1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020448591 348532945 /nfs/dbraw/zinc/53/29/45/348532945.db2.gz BNNUKMONWLYKCE-UHFFFAOYSA-N 0 3 253.258 1.012 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCSCCCO ZINC000105643814 186067035 /nfs/dbraw/zinc/06/70/35/186067035.db2.gz WHIDRQDNIDBCAH-UHFFFAOYSA-N 0 3 270.354 1.800 20 5 CDBDHN C[C@H](NC[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000105932787 186091970 /nfs/dbraw/zinc/09/19/70/186091970.db2.gz AZWTWHZOYLNBIL-SMDDNHRTSA-N 0 3 279.340 1.576 20 5 CDBDHN Cc1nn(C)c(NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000062010316 362967280 /nfs/dbraw/zinc/96/72/80/362967280.db2.gz FDOKCJWOKREVPT-UHFFFAOYSA-N 0 3 253.306 1.143 20 5 CDBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCN(C)C ZINC000111138290 186356954 /nfs/dbraw/zinc/35/69/54/186356954.db2.gz ASUJYOUPUYKRNH-UHFFFAOYSA-N 0 3 265.313 1.795 20 5 CDBDHN Cc1nc(NC[C@@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000250886219 366111143 /nfs/dbraw/zinc/11/11/43/366111143.db2.gz BBUIGLAHYCUYCW-NWDGAFQWSA-N 0 3 292.339 1.573 20 5 CDBDHN CC1(C)CN(C(=O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000175395821 356529451 /nfs/dbraw/zinc/52/94/51/356529451.db2.gz ZUNRQWZOMVOQGH-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN CCOc1cccc(N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000273813748 192318129 /nfs/dbraw/zinc/31/81/29/192318129.db2.gz BJXWBMLBOHIWDL-UHFFFAOYSA-N 0 3 267.329 1.991 20 5 CDBDHN Nc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCCCC1 ZINC000180658010 357280558 /nfs/dbraw/zinc/28/05/58/357280558.db2.gz QLTPJFVEOYMNGF-UHFFFAOYSA-N 0 3 292.339 1.393 20 5 CDBDHN O=C(CCN(CCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000282800678 357475295 /nfs/dbraw/zinc/47/52/95/357475295.db2.gz XDKZWJMTHVHBCU-UHFFFAOYSA-N 0 3 293.323 1.380 20 5 CDBDHN CC1(CO)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186915045 357705379 /nfs/dbraw/zinc/70/53/79/357705379.db2.gz GDJQGUKXZZTRDP-AWEZNQCLSA-N 0 3 294.351 1.723 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000234362157 357729055 /nfs/dbraw/zinc/72/90/55/357729055.db2.gz JOLAFYMIQMLJDZ-VIFPVBQESA-N 0 3 283.303 1.548 20 5 CDBDHN CO[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000361358429 358170090 /nfs/dbraw/zinc/17/00/90/358170090.db2.gz XHYLLVAXSPXSGT-CYBMUJFWSA-N 0 3 250.298 1.858 20 5 CDBDHN COCCN1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193395068 358292241 /nfs/dbraw/zinc/29/22/41/358292241.db2.gz ILVMABHXJINZGA-UHFFFAOYSA-N 0 3 294.355 1.700 20 5 CDBDHN COC[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000569941167 359271069 /nfs/dbraw/zinc/27/10/69/359271069.db2.gz LRZYLGGNRPVWKU-GXFFZTMASA-N 0 3 280.324 1.833 20 5 CDBDHN O=C(CNC1CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000570036332 359273872 /nfs/dbraw/zinc/27/38/72/359273872.db2.gz KJBWQNZJOJYGGK-UHFFFAOYSA-N 0 3 263.297 1.006 20 5 CDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C ZINC000354512434 359278592 /nfs/dbraw/zinc/27/85/92/359278592.db2.gz SPKYNTYSWFXRHN-WDEREUQCSA-N 0 3 279.344 1.482 20 5 CDBDHN C[C@@H](CNCCc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000571790501 359613324 /nfs/dbraw/zinc/61/33/24/359613324.db2.gz QUPBBSLCGMBZEO-JTQLQIEISA-N 0 3 286.353 1.160 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000347916888 359948747 /nfs/dbraw/zinc/94/87/47/359948747.db2.gz YRHVVVKCJJNVOO-UHFFFAOYSA-N 0 3 269.301 1.602 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177176379 189034465 /nfs/dbraw/zinc/03/44/65/189034465.db2.gz WWXQDJPPHQQPAR-WDEREUQCSA-N 0 3 289.335 1.950 20 5 CDBDHN CN1CCC[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000225588183 360608973 /nfs/dbraw/zinc/60/89/73/360608973.db2.gz RKJPOSJBAVODDS-JTQLQIEISA-N 0 3 255.343 1.840 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293436912 239278728 /nfs/dbraw/zinc/27/87/28/239278728.db2.gz OHQTXABUGAYGDA-TYNCELHUSA-N 0 3 293.367 1.653 20 5 CDBDHN C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000267936902 363921210 /nfs/dbraw/zinc/92/12/10/363921210.db2.gz HTDCYTZDHFCVCT-LLVKDONJSA-N 0 3 279.340 1.594 20 5 CDBDHN COC[C@H](CCO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223951881 370745949 /nfs/dbraw/zinc/74/59/49/370745949.db2.gz MJGFJBAZUSMAEW-YPMHNXCESA-N 0 3 282.340 1.951 20 5 CDBDHN CN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000102890138 364647556 /nfs/dbraw/zinc/64/75/56/364647556.db2.gz YKGVMDAMVIPUMI-UHFFFAOYSA-N 0 3 296.302 1.140 20 5 CDBDHN C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000272591217 367777834 /nfs/dbraw/zinc/77/78/34/367777834.db2.gz PMHKAIXIHLMNNX-RYUDHWBXSA-N 0 3 291.351 1.736 20 5 CDBDHN COc1cc(C[NH2+][C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330612972 203038004 /nfs/dbraw/zinc/03/80/04/203038004.db2.gz YJXUDBRAFWYUMP-ONGXEEELSA-N 0 3 296.323 1.966 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C ZINC000330898253 203367692 /nfs/dbraw/zinc/36/76/92/203367692.db2.gz IBTXZQBZDOINAY-IUCAKERBSA-N 0 3 266.301 1.135 20 5 CDBDHN COC(=O)c1cnc(NC[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000276598610 193396024 /nfs/dbraw/zinc/39/60/24/193396024.db2.gz ATMVCFPLWYNWAU-SECBINFHSA-N 0 3 294.311 1.140 20 5 CDBDHN C[C@@H](NC(=O)[C@H]1CCCCN1)c1cccc([N+](=O)[O-])c1 ZINC000037766492 370079433 /nfs/dbraw/zinc/07/94/33/370079433.db2.gz GUNQPFXWLKZFFD-ZWNOBZJWSA-N 0 3 277.324 1.914 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000441332400 370091962 /nfs/dbraw/zinc/09/19/62/370091962.db2.gz JWEWPGKSIVWPNH-YBGXSUTOSA-N 0 3 289.335 1.722 20 5 CDBDHN CC[C@H](NC(=O)[C@@H](C)N)c1cccc([N+](=O)[O-])c1 ZINC000120794348 372793079 /nfs/dbraw/zinc/79/30/79/372793079.db2.gz YOIPJLDTHUJIGV-KCJUWKMLSA-N 0 3 251.286 1.509 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356434350 372829823 /nfs/dbraw/zinc/82/98/23/372829823.db2.gz WMWPTXCZXHMLPY-WDEREUQCSA-N 0 3 294.355 1.346 20 5 CDBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298844613 374234743 /nfs/dbraw/zinc/23/47/43/374234743.db2.gz JHMWNMBKTMDGCV-UHFFFAOYSA-N 0 3 278.312 1.280 20 5 CDBDHN C[S@](=O)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000116919334 374492418 /nfs/dbraw/zinc/49/24/18/374492418.db2.gz HBJQYLDRZOHPRI-QGZVFWFLSA-N 0 3 256.327 1.453 20 5 CDBDHN CC(C)(C)[C@H](NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000081606104 374530810 /nfs/dbraw/zinc/53/08/10/374530810.db2.gz FOXDTCGDHOXINS-GFCCVEGCSA-N 0 3 295.339 1.463 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](CO)[C@H]1CCCO1 ZINC000447975867 374728526 /nfs/dbraw/zinc/72/85/26/374728526.db2.gz IGSAVUXNMSEEMZ-YYAKZPHOSA-N 0 3 292.335 1.738 20 5 CDBDHN C[C@@]1(C(N)=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000280122911 374982208 /nfs/dbraw/zinc/98/22/08/374982208.db2.gz BUNKLPXHCCUPHD-CYBMUJFWSA-N 0 3 263.297 1.292 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1(CO)CCOCC1 ZINC000282556567 375093131 /nfs/dbraw/zinc/09/31/31/375093131.db2.gz SZWHHDHYLZDTAB-UHFFFAOYSA-N 0 3 298.314 1.707 20 5 CDBDHN Cc1cc(N(C)CCN(C)C2CC2)ncc1[N+](=O)[O-] ZINC000302301359 375188713 /nfs/dbraw/zinc/18/87/13/375188713.db2.gz YPJNJHOGCZCAFG-UHFFFAOYSA-N 0 3 264.329 1.829 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000351531492 375305014 /nfs/dbraw/zinc/30/50/14/375305014.db2.gz XHDWYFJAVBEHCV-MNOVXSKESA-N 0 3 294.355 1.905 20 5 CDBDHN COc1ccc(CNCCCOCCO)cc1[N+](=O)[O-] ZINC000227335395 375503601 /nfs/dbraw/zinc/50/36/01/375503601.db2.gz UYUAZBAOBINPKM-UHFFFAOYSA-N 0 3 284.312 1.092 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@]3(CCOC3)C2)c1 ZINC000305166783 375562854 /nfs/dbraw/zinc/56/28/54/375562854.db2.gz HWZIAXUXUGYZPZ-CABCVRRESA-N 0 3 292.335 1.741 20 5 CDBDHN COC(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000496314318 375733407 /nfs/dbraw/zinc/73/34/07/375733407.db2.gz ZOBQYUXONBMKQA-MRVPVSSYSA-N 0 3 282.252 1.687 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CCO)C1CCCCC1 ZINC000355011350 375767990 /nfs/dbraw/zinc/76/79/90/375767990.db2.gz KMYULIBNYCPIPX-LBPRGKRZSA-N 0 3 296.371 1.749 20 5 CDBDHN CN(C)C(=O)NCCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000355030134 375770145 /nfs/dbraw/zinc/77/01/45/375770145.db2.gz KLLUILVPUPKDPU-UHFFFAOYSA-N 0 3 294.355 1.340 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC1(CO)CCCC1 ZINC000053069856 377746705 /nfs/dbraw/zinc/74/67/05/377746705.db2.gz ZETRTVPOTWDEQX-UHFFFAOYSA-N 0 3 280.324 1.998 20 5 CDBDHN CN1CCC[C@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173621165 378727981 /nfs/dbraw/zinc/72/79/81/378727981.db2.gz GZNJMEWHENLCPR-CYBMUJFWSA-N 0 3 291.351 1.595 20 5 CDBDHN COC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444688387 250167571 /nfs/dbraw/zinc/16/75/71/250167571.db2.gz JKVAKTUFEYRGDH-CYBMUJFWSA-N 0 3 290.323 1.986 20 5 CDBDHN COc1ccc(OCCN2CC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173787604 379220663 /nfs/dbraw/zinc/22/06/63/379220663.db2.gz DNIYENRKJPWZBD-NSHDSACASA-N 0 3 296.323 1.296 20 5 CDBDHN C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000245869898 379348012 /nfs/dbraw/zinc/34/80/12/379348012.db2.gz GRMTUJYXYSUKPY-GHMZBOCLSA-N 0 3 252.318 1.769 20 5 CDBDHN C[C@H]1CCSCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000286242700 390193475 /nfs/dbraw/zinc/19/34/75/390193475.db2.gz RUWXQARPUIALQU-JTQLQIEISA-N 0 3 270.358 1.619 20 5 CDBDHN CCc1n[nH]c(C(=O)NC2(CN(C)C)CCC2)c1[N+](=O)[O-] ZINC000281684322 195335703 /nfs/dbraw/zinc/33/57/03/195335703.db2.gz KUGCOZSPRNWWTM-UHFFFAOYSA-N 0 3 295.343 1.094 20 5 CDBDHN CO[C@@H]1[C@@H](C)[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451506825 390628820 /nfs/dbraw/zinc/62/88/20/390628820.db2.gz WCMRWGFNMVDWRE-JMJZKYOTSA-N 0 3 282.344 1.477 20 5 CDBDHN C[C@@H](O)CCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000075777878 390680225 /nfs/dbraw/zinc/68/02/25/390680225.db2.gz JHXMENPSJAQIEZ-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN Cc1cnc(N2CCN(C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000361262715 390833551 /nfs/dbraw/zinc/83/35/51/390833551.db2.gz OQMYRKOFFVLPJV-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN CCO[C@@H]1COC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000451937701 390941704 /nfs/dbraw/zinc/94/17/04/390941704.db2.gz MTOAAPBHIVFDKM-BXUZGUMPSA-N 0 3 296.323 1.367 20 5 CDBDHN CCOC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179314575 390952700 /nfs/dbraw/zinc/95/27/00/390952700.db2.gz DXJHQRCBADECBX-UHFFFAOYSA-N 0 3 295.339 1.257 20 5 CDBDHN C[C@@H]1CCN(C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000354092474 391057394 /nfs/dbraw/zinc/05/73/94/391057394.db2.gz OCPQBWOVEPJAGG-SECBINFHSA-N 0 3 295.368 1.834 20 5 CDBDHN CCCCN(C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354722607 391922011 /nfs/dbraw/zinc/92/20/11/391922011.db2.gz DLVTZJIWNJYMGF-UHFFFAOYSA-N 0 3 294.355 1.639 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CC1 ZINC000416303282 391985090 /nfs/dbraw/zinc/98/50/90/391985090.db2.gz QUTVDDHPTKUHID-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN Cc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592247116 392097474 /nfs/dbraw/zinc/09/74/74/392097474.db2.gz RTMGBYUDVXELMK-CYBMUJFWSA-N 0 3 291.351 1.973 20 5 CDBDHN COc1cc(C[NH2+]CC[C@H](C)OC)c([N+](=O)[O-])cc1[O-] ZINC000263828174 131340831 /nfs/dbraw/zinc/34/08/31/131340831.db2.gz TZCUQRNEBVRULG-VIFPVBQESA-N 0 3 284.312 1.824 20 5 CDBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000301734099 392876278 /nfs/dbraw/zinc/87/62/78/392876278.db2.gz UKBHLFGGDMJXAS-WCQYABFASA-N 0 3 276.340 1.910 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000421706867 392942684 /nfs/dbraw/zinc/94/26/84/392942684.db2.gz WAGVNPJFZFAXOS-SECBINFHSA-N 0 3 267.285 1.354 20 5 CDBDHN Cn1cnc(CCNCc2ccccc2[N+](=O)[O-])n1 ZINC000095016018 147105672 /nfs/dbraw/zinc/10/56/72/147105672.db2.gz GIVYMOXYRCQPGR-UHFFFAOYSA-N 0 3 261.285 1.056 20 5 CDBDHN O=C1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCCN12 ZINC000313798909 149247148 /nfs/dbraw/zinc/24/71/48/149247148.db2.gz LJCNQRHMELAMOS-KGLIPLIRSA-N 0 3 289.335 1.838 20 5 CDBDHN COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000346685533 153271374 /nfs/dbraw/zinc/27/13/74/153271374.db2.gz SQAINFHKFWMVHN-GXFFZTMASA-N 0 3 278.308 1.978 20 5 CDBDHN CN(C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352354662 155114091 /nfs/dbraw/zinc/11/40/91/155114091.db2.gz CPVFWWISFRWORO-UHFFFAOYSA-N 0 3 260.297 1.538 20 5 CDBDHN CN(C)CCOCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353941111 156170881 /nfs/dbraw/zinc/17/08/81/156170881.db2.gz UMHGOJKIANSKRO-UHFFFAOYSA-N 0 3 296.327 1.295 20 5 CDBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CCN(C)C ZINC000360998214 158696703 /nfs/dbraw/zinc/69/67/03/158696703.db2.gz YWLVUULMQRMILP-UHFFFAOYSA-N 0 3 265.313 1.795 20 5 CDBDHN C[C@H](O)CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361016507 158702777 /nfs/dbraw/zinc/70/27/77/158702777.db2.gz IMULDOJRGPWTPR-XOIDGJRKSA-N 0 3 250.298 1.921 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CO)C(C)C ZINC000362189583 159093984 /nfs/dbraw/zinc/09/39/84/159093984.db2.gz JPVMDBXDPHXVJU-ZDUSSCGKSA-N 0 3 295.339 1.448 20 5 CDBDHN Cc1cc(NCCn2cncn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000362975390 159281512 /nfs/dbraw/zinc/28/15/12/159281512.db2.gz FKXWDNZAGLSRGX-UHFFFAOYSA-N 0 3 298.306 1.577 20 5 CDBDHN COCCOCCCNCc1ccccc1[N+](=O)[O-] ZINC000020192762 171058717 /nfs/dbraw/zinc/05/87/17/171058717.db2.gz MPWKRGCCRCLABD-UHFFFAOYSA-N 0 3 268.313 1.738 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCN(C)C1 ZINC000044537971 175199461 /nfs/dbraw/zinc/19/94/61/175199461.db2.gz FGKMCLUOHLSOPS-SECBINFHSA-N 0 3 253.306 1.082 20 5 CDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N(C)C ZINC000188994926 274480109 /nfs/dbraw/zinc/48/01/09/274480109.db2.gz FGEHLWWQUFOUJH-NEPJUHHUSA-N 0 3 293.367 1.982 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCO)CCCC2 ZINC000417328833 275038253 /nfs/dbraw/zinc/03/82/53/275038253.db2.gz SQQGNZQYWNWPCN-CYBMUJFWSA-N 0 3 250.298 1.944 20 5 CDBDHN COCC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1 ZINC000282128253 277552744 /nfs/dbraw/zinc/55/27/44/277552744.db2.gz GBUCBSAHFSSVTM-LLVKDONJSA-N 0 3 254.286 1.082 20 5 CDBDHN C[C@@H]1NCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000262885608 279037015 /nfs/dbraw/zinc/03/70/15/279037015.db2.gz WJVXISCQAIQIBX-IUCAKERBSA-N 0 3 281.287 1.556 20 5 CDBDHN Cc1cccc(C(=O)NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000108337579 279305820 /nfs/dbraw/zinc/30/58/20/279305820.db2.gz BAWVDXMTQAQLBF-GFCCVEGCSA-N 0 3 291.351 1.975 20 5 CDBDHN CC(C)N(C)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000195309500 280078376 /nfs/dbraw/zinc/07/83/76/280078376.db2.gz IIMOIIMEGMZAJW-UHFFFAOYSA-N 0 3 279.340 1.893 20 5 CDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CCN1C ZINC000226775150 280102173 /nfs/dbraw/zinc/10/21/73/280102173.db2.gz QGPLRCWKRCOMGW-JGVFFNPUSA-N 0 3 256.331 1.946 20 5 CDBDHN C[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000248881726 280390624 /nfs/dbraw/zinc/39/06/24/280390624.db2.gz DGPJPATXKGYXKS-GHMZBOCLSA-N 0 3 268.313 1.158 20 5 CDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000559641360 290456508 /nfs/dbraw/zinc/45/65/08/290456508.db2.gz WKVXBEXKTVMBJQ-BPNCWPANSA-N 0 3 279.340 1.263 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943177 521951371 /nfs/dbraw/zinc/95/13/71/521951371.db2.gz XDWDZMXEDMLRMF-CABZTGNLSA-N 0 3 265.313 1.584 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943176 522367790 /nfs/dbraw/zinc/36/77/90/522367790.db2.gz XDWDZMXEDMLRMF-SKDRFNHKSA-N 0 3 265.313 1.584 20 5 CDBDHN Cc1c(NC(=O)[C@@]2(F)CCNC2)cccc1[N+](=O)[O-] ZINC000150690284 525855245 /nfs/dbraw/zinc/85/52/45/525855245.db2.gz LNVQWMQWXKKVQN-GFCCVEGCSA-N 0 3 267.260 1.543 20 5 CDBDHN COCCN1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000264607497 536879338 /nfs/dbraw/zinc/87/93/38/536879338.db2.gz OSTGEDFTYKFMIV-NSHDSACASA-N 0 3 283.303 1.867 20 5 CDBDHN COc1ccc(CN[C@@H](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000228112711 536896330 /nfs/dbraw/zinc/89/63/30/536896330.db2.gz PBLHYCYWQXXGSX-VHSXEESVSA-N 0 3 268.313 1.852 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CCCCO2)c1 ZINC000749691710 574539402 /nfs/dbraw/zinc/53/94/02/574539402.db2.gz RCIQTXVISPCBOK-ZIAGYGMSSA-N 0 3 280.324 1.787 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000761069293 574931724 /nfs/dbraw/zinc/93/17/24/574931724.db2.gz JSLLPGLQWPLXAN-LBPRGKRZSA-N 0 3 279.340 1.610 20 5 CDBDHN COc1cc(CN[C@@H](CO)C2CC2)c([N+](=O)[O-])cc1F ZINC000771813901 575617543 /nfs/dbraw/zinc/61/75/43/575617543.db2.gz QMKNGEYLBBJOFN-NSHDSACASA-N 0 3 284.287 1.603 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC000768774545 576307589 /nfs/dbraw/zinc/30/75/89/576307589.db2.gz VESSYSFSXLBABD-TYNCELHUSA-N 0 3 293.367 1.653 20 5 CDBDHN NC(=O)C1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000750104279 576976060 /nfs/dbraw/zinc/97/60/60/576976060.db2.gz FRRRZVRECASPFP-GFCCVEGCSA-N 0 3 293.323 1.016 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cccnc2)cc1 ZINC000106140753 618094950 /nfs/dbraw/zinc/09/49/50/618094950.db2.gz OGDNYIRSBFZOAT-AWEZNQCLSA-N 0 3 273.292 1.813 20 5 CDBDHN CC(COC(=O)c1cnc(CC2CC2)s1)[N+](=O)[O-] ZINC000893046929 618098833 /nfs/dbraw/zinc/09/88/33/618098833.db2.gz HZVYBDSZMXPVNO-ZETCQYMHSA-N 0 3 270.310 1.918 20 5 CDBDHN COc1cccc([C@H](CNCC[N+](=O)[O-])N(C)C)c1 ZINC000899861169 622487433 /nfs/dbraw/zinc/48/74/33/622487433.db2.gz WRGKOSDQAIXGHU-ZDUSSCGKSA-N 0 3 267.329 1.164 20 5 CDBDHN COc1cccc(C(=O)N[C@@H]2CCNC[C@@H]2F)c1[N+](=O)[O-] ZINC001579260290 1172128131 /nfs/dbraw/zinc/12/81/31/1172128131.db2.gz ZAYRUBYTKHQDFS-VHSXEESVSA-N 0 3 297.286 1.033 20 5 CDBDHN C[C@@H]1C[C@H](CO)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278164 774034196 /nfs/dbraw/zinc/03/41/96/774034196.db2.gz TVDWPPAZNQMKDG-XUJVJEKNSA-N 0 3 294.351 1.579 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813107421 775099479 /nfs/dbraw/zinc/09/94/79/775099479.db2.gz QITHRYBPYVZOTI-MRVPVSSYSA-N 0 3 268.225 1.725 20 5 CDBDHN C[C@H](N[C@H](CO)CC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620348 775569286 /nfs/dbraw/zinc/56/92/86/775569286.db2.gz OLXDNGUZMOIXRJ-CBAPKCEASA-N 0 3 289.282 1.844 20 5 CDBDHN Cc1nc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2n1C ZINC000813104120 775570210 /nfs/dbraw/zinc/57/02/10/775570210.db2.gz KFMIXTDRZHSWSP-MRVPVSSYSA-N 0 3 277.280 1.704 20 5 CDBDHN CC(COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[N+](=O)[O-] ZINC000813101917 775948194 /nfs/dbraw/zinc/94/81/94/775948194.db2.gz LHWPHGPOHWUTTQ-LURJTMIESA-N 0 3 298.207 1.146 20 5 CDBDHN O=[N+]([O-])CCN1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000930764254 775951553 /nfs/dbraw/zinc/95/15/53/775951553.db2.gz DPWJZRIUNTUAHI-LBPRGKRZSA-N 0 3 254.330 1.544 20 5 CDBDHN COC(=O)N(C)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873137762 775988512 /nfs/dbraw/zinc/98/85/12/775988512.db2.gz GUEPHSISSGRNLK-UHFFFAOYSA-N 0 3 295.339 1.999 20 5 CDBDHN Cn1nccc1CCNCc1ccccc1[N+](=O)[O-] ZINC000231033017 776308645 /nfs/dbraw/zinc/30/86/45/776308645.db2.gz QXGWRMSNVFLQCN-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN O=[N+]([O-])c1ccc2nc(NC[C@H]3CNCCO3)sc2c1 ZINC000842316154 776839447 /nfs/dbraw/zinc/83/94/47/776839447.db2.gz FUBAHYOUSDOVGX-SECBINFHSA-N 0 3 294.336 1.605 20 5 CDBDHN O=C(NC1CN(CCCC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030292405 776972146 /nfs/dbraw/zinc/97/21/46/776972146.db2.gz GORPVJDOXNRGKF-ZIAGYGMSSA-N 0 3 295.383 1.422 20 5 CDBDHN CC(C)(O)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000879626906 777592020 /nfs/dbraw/zinc/59/20/20/777592020.db2.gz RWGHZHSELSDAMF-UHFFFAOYSA-N 0 3 282.344 1.274 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000063052577 777686167 /nfs/dbraw/zinc/68/61/67/777686167.db2.gz NCZFXJMVSQNOKT-UHFFFAOYSA-N 0 3 295.314 1.902 20 5 CDBDHN CC[C@H]1CN(C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823195348 777747385 /nfs/dbraw/zinc/74/73/85/777747385.db2.gz VKMXOTLXJPMMSP-ZFWWWQNUSA-N 0 3 293.367 1.654 20 5 CDBDHN CC(COC(=O)c1ccc(-c2ncn(C)n2)cc1)[N+](=O)[O-] ZINC000813107605 777879387 /nfs/dbraw/zinc/87/93/87/777879387.db2.gz OYGHEPXBHDTRDJ-VIFPVBQESA-N 0 3 290.279 1.304 20 5 CDBDHN CCN1C[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886097975 778088515 /nfs/dbraw/zinc/08/85/15/778088515.db2.gz HNDWTHCZYZMFNS-NWDGAFQWSA-N 0 3 278.356 1.904 20 5 CDBDHN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CC[N+](=O)[O-] ZINC000930147304 778322465 /nfs/dbraw/zinc/32/24/65/778322465.db2.gz BWPGIHLTNWYEDD-ZIAGYGMSSA-N 0 3 277.368 1.858 20 5 CDBDHN CC(C)C[C@@H]1CN(C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000933249360 778342318 /nfs/dbraw/zinc/34/23/18/778342318.db2.gz GFMWFFSOIYZWGV-CYBMUJFWSA-N 0 3 295.387 1.453 20 5 CDBDHN CC(C)(CCC(=O)NC[C@H]1CCCCN1C1CC1)[N+](=O)[O-] ZINC000830529131 778664600 /nfs/dbraw/zinc/66/46/00/778664600.db2.gz DGRBCEIWBLBSHA-CYBMUJFWSA-N 0 3 297.399 1.955 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN[C@@H]1CCC[C@@H]1CCO ZINC000886169968 778820759 /nfs/dbraw/zinc/82/07/59/778820759.db2.gz MMDKIZSVHZDHRN-ZYHUDNBSSA-N 0 3 265.313 1.631 20 5 CDBDHN CC(COC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1)[N+](=O)[O-] ZINC000870378809 779312057 /nfs/dbraw/zinc/31/20/57/779312057.db2.gz XSLDYJOFRUJAJP-NKWVEPMBSA-N 0 3 295.217 1.671 20 5 CDBDHN CCC[C@@H](O)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1C ZINC000873130981 779669143 /nfs/dbraw/zinc/66/91/43/779669143.db2.gz NEFYZLSWJCXZTI-TZMCWYRMSA-N 0 3 282.340 1.515 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1C[C@@H](O)C1 ZINC000703696920 779826996 /nfs/dbraw/zinc/82/69/96/779826996.db2.gz PIZBVPYIOURLND-PHIMTYICSA-N 0 3 268.288 1.937 20 5 CDBDHN Nc1c(Cl)cccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000877095193 779887696 /nfs/dbraw/zinc/88/76/96/779887696.db2.gz PJMALGKKEZDTDI-UHFFFAOYSA-N 0 3 295.730 1.817 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCS(=O)(=O)C1 ZINC001173211194 912333059 /nfs/dbraw/zinc/33/30/59/912333059.db2.gz QYUXJLOUSRZEGP-JQWIXIFHSA-N 0 3 298.364 1.303 20 5 CDBDHN C[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1=O ZINC001169006741 927612404 /nfs/dbraw/zinc/61/24/04/927612404.db2.gz JFWTZBWIPKLVRN-UTUOFQBUSA-N 0 3 254.330 1.733 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NCc1ncccc1[O-])C[NH2+]C2 ZINC001169731647 928392236 /nfs/dbraw/zinc/39/22/36/928392236.db2.gz DJHXUNZTOHVEDM-UHFFFAOYSA-N 0 3 286.291 1.911 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)CCO)c1F ZINC001246912303 932423471 /nfs/dbraw/zinc/42/34/71/932423471.db2.gz KJJRCYIMCSGFSY-VIFPVBQESA-N 0 3 286.303 1.598 20 5 CDBDHN O=[N+]([O-])c1ncccc1Cn1cc(CNCC2CC2)nn1 ZINC001119378456 937714496 /nfs/dbraw/zinc/71/44/96/937714496.db2.gz GGFXBCWDSDJNSM-UHFFFAOYSA-N 0 3 288.311 1.129 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C(F)F ZINC001122372402 937926262 /nfs/dbraw/zinc/92/62/62/937926262.db2.gz GLGWXVQXDSLEHB-UHFFFAOYSA-N 0 3 273.239 1.066 20 5 CDBDHN O=C(CC1CC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122532970 937940191 /nfs/dbraw/zinc/94/01/91/937940191.db2.gz UIIULGXQVXUVOZ-UHFFFAOYSA-N 0 3 277.324 1.601 20 5 CDBDHN NCc1ccnn1-c1c(Cl)nccc1[N+](=O)[O-] ZINC001162591046 939095952 /nfs/dbraw/zinc/09/59/52/939095952.db2.gz LMJJAXVHFUKPRP-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN CN1CC[C@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224987601 941811488 /nfs/dbraw/zinc/81/14/88/941811488.db2.gz SJSGGPGDYGMYHP-ZDUSSCGKSA-N 0 3 294.307 1.359 20 5 CDBDHN O=[N+]([O-])c1cncc(OC2CCN(C3CC3)CC2)c1 ZINC001227987928 942252181 /nfs/dbraw/zinc/25/21/81/942252181.db2.gz MQWKGKUXFWIOIH-UHFFFAOYSA-N 0 3 263.297 1.995 20 5 CDBDHN CN1CCC(Oc2cc3n[nH]cc3cc2[N+](=O)[O-])CC1 ZINC001230593791 942651693 /nfs/dbraw/zinc/65/16/93/942651693.db2.gz BEAZXEVFZJWQQQ-UHFFFAOYSA-N 0 3 276.296 1.944 20 5 CDBDHN CCN1CC[C@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001233702694 943643535 /nfs/dbraw/zinc/64/35/35/943643535.db2.gz PCWQGQAZZJJQLJ-JTQLQIEISA-N 0 3 281.268 1.976 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(O)CC1 ZINC001254550089 947521664 /nfs/dbraw/zinc/52/16/64/947521664.db2.gz CNPBUOPDLSAPAK-LLVKDONJSA-N 0 3 264.325 1.983 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cccnn1)C2 ZINC001254580276 947537001 /nfs/dbraw/zinc/53/70/01/947537001.db2.gz BWFHRDMDECGLRM-ZDUSSCGKSA-N 0 3 270.292 1.642 20 5 CDBDHN C[C@@]1(O)COCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592072 947541970 /nfs/dbraw/zinc/54/19/70/947541970.db2.gz AERVCTRNOBYLDK-CABCVRRESA-N 0 3 292.335 1.145 20 5 CDBDHN Cc1cc(C(=O)N[C@H]2CCN(C)[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC001303798451 956120263 /nfs/dbraw/zinc/12/02/63/956120263.db2.gz BDJRPEISQKOJQJ-ONGXEEELSA-N 0 3 292.339 1.308 20 5 CDBDHN CC(COC(=O)c1c2ccccc2nn1C)[N+](=O)[O-] ZINC001345776660 964812409 /nfs/dbraw/zinc/81/24/09/964812409.db2.gz PEFPIGIASMBDII-MRVPVSSYSA-N 0 3 263.253 1.395 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1C[C@@H](CO)C1 ZINC000601291766 342549737 /nfs/dbraw/zinc/54/97/37/342549737.db2.gz NKFGOTTXGFOCCM-CWSCBRNRSA-N 0 3 262.309 1.943 20 5 CDBDHN CNCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160914600 361742128 /nfs/dbraw/zinc/74/21/28/361742128.db2.gz AYOKMPKBDPYGAI-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN O=[N+]([O-])c1ncccc1N1CC[C@H](N2CCCC2)C1 ZINC000608909487 342084472 /nfs/dbraw/zinc/08/44/72/342084472.db2.gz SHIGRNCDBZDSGB-NSHDSACASA-N 0 3 262.313 1.664 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC000591433869 342631428 /nfs/dbraw/zinc/63/14/28/342631428.db2.gz CEENIHWNWZORSS-JGVFFNPUSA-N 0 3 254.265 1.316 20 5 CDBDHN [NH3+]CCCCc1cn(-c2ccc([O-])cc2[N+](=O)[O-])nn1 ZINC000594652432 342933763 /nfs/dbraw/zinc/93/37/63/342933763.db2.gz MXBXHMNNZGIOFX-UHFFFAOYSA-N 0 3 277.284 1.163 20 5 CDBDHN Cc1ccc(CNCCc2cncn2C)cc1[N+](=O)[O-] ZINC000401828975 349724659 /nfs/dbraw/zinc/72/46/59/349724659.db2.gz FEUFETPYXGQURK-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN N[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260569 343014309 /nfs/dbraw/zinc/01/43/09/343014309.db2.gz DCWISRVSZVEYKY-HTQZYQBOSA-N 0 3 273.289 1.168 20 5 CDBDHN Cc1noc(CN2C[C@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595480909 343065170 /nfs/dbraw/zinc/06/51/70/343065170.db2.gz ASODQDUDYLFMEY-ZYHUDNBSSA-N 0 3 294.355 1.950 20 5 CDBDHN CC1(C)C[C@@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CO1 ZINC000595481988 343065250 /nfs/dbraw/zinc/06/52/50/343065250.db2.gz QFWDESPLCJXGTH-GFCCVEGCSA-N 0 3 294.355 1.996 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595567011 343100324 /nfs/dbraw/zinc/10/03/24/343100324.db2.gz QTLRTNRVKFVJLO-JQWIXIFHSA-N 0 3 250.302 1.666 20 5 CDBDHN Cc1ccc(NC(=O)[C@@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000294978965 199280999 /nfs/dbraw/zinc/28/09/99/199280999.db2.gz GUEUBMKFJIBALF-SECBINFHSA-N 0 3 263.297 1.982 20 5 CDBDHN O=C1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1 ZINC000595744317 343150322 /nfs/dbraw/zinc/15/03/22/343150322.db2.gz VTZTVUGCJBMUKO-TZMCWYRMSA-N 0 3 289.335 1.695 20 5 CDBDHN C[NH+]1CCC(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596107053 343229164 /nfs/dbraw/zinc/22/91/64/343229164.db2.gz UIDATCGPIDHAFN-UHFFFAOYSA-N 0 3 280.328 1.839 20 5 CDBDHN C[N@H+](CCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596261401 343278344 /nfs/dbraw/zinc/27/83/44/343278344.db2.gz SAIZLMOIBYKJDG-UHFFFAOYSA-N 0 3 280.328 1.982 20 5 CDBDHN C[N@@H+](CCCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596261401 343278345 /nfs/dbraw/zinc/27/83/45/343278345.db2.gz SAIZLMOIBYKJDG-UHFFFAOYSA-N 0 3 280.328 1.982 20 5 CDBDHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)cc([N+](=O)[O-])c1 ZINC000147784850 342436952 /nfs/dbraw/zinc/43/69/52/342436952.db2.gz OGSVFXQJGJCESR-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN CCOCC[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1OC ZINC000571277413 362228926 /nfs/dbraw/zinc/22/89/26/362228926.db2.gz VPKZVXWETPVRAI-CYBMUJFWSA-N 0 3 298.339 1.481 20 5 CDBDHN CCN[C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000598638594 343853844 /nfs/dbraw/zinc/85/38/44/343853844.db2.gz PLXYTFCHBUDQDN-SECBINFHSA-N 0 3 251.286 1.840 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CC[C@H](O)C1 ZINC000599091520 343952354 /nfs/dbraw/zinc/95/23/54/343952354.db2.gz BAZDXBQWTZJMSG-OCCSQVGLSA-N 0 3 293.367 1.620 20 5 CDBDHN CN1CCN(CC2CN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000599106625 343955482 /nfs/dbraw/zinc/95/54/82/343955482.db2.gz IYWIUNKFQZHCDH-UHFFFAOYSA-N 0 3 290.367 1.278 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](OC(C)C)C1 ZINC000602852662 344628502 /nfs/dbraw/zinc/62/85/02/344628502.db2.gz FSDZVUVOXNFMGN-GFCCVEGCSA-N 0 3 282.344 1.599 20 5 CDBDHN CC[C@H](N)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000603247050 344750826 /nfs/dbraw/zinc/75/08/26/344750826.db2.gz ITMYENSSTGEWEC-NSHDSACASA-N 0 3 297.265 1.923 20 5 CDBDHN O=[N+]([O-])c1ncccc1N1CCN(c2ccncc2)CC1 ZINC000603842695 344838003 /nfs/dbraw/zinc/83/80/03/344838003.db2.gz IODCGJIDOJTKMM-UHFFFAOYSA-N 0 3 285.307 1.711 20 5 CDBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057714487 347086767 /nfs/dbraw/zinc/08/67/67/347086767.db2.gz MNESGRMUZQKNOS-SNVBAGLBSA-N 0 3 277.324 1.807 20 5 CDBDHN Cc1c(C(=O)N2C[C@H](C)NC[C@H]2C)cccc1[N+](=O)[O-] ZINC000086467876 362710922 /nfs/dbraw/zinc/71/09/22/362710922.db2.gz RIUULCSXCJMKIE-VHSXEESVSA-N 0 3 277.324 1.726 20 5 CDBDHN O=C(CCN1CCC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000041886302 348712277 /nfs/dbraw/zinc/71/22/77/348712277.db2.gz PEGYRNBKCKCYEQ-LLVKDONJSA-N 0 3 293.323 1.380 20 5 CDBDHN C[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000068064602 349047034 /nfs/dbraw/zinc/04/70/34/349047034.db2.gz AETLZGXVFBZEEG-QMMMGPOBSA-N 0 3 291.311 1.151 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(O)COC ZINC000069911635 351212007 /nfs/dbraw/zinc/21/20/07/351212007.db2.gz OXAPRVANMZFFLM-AWEZNQCLSA-N 0 3 298.339 1.481 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000286369745 356269646 /nfs/dbraw/zinc/26/96/46/356269646.db2.gz GFNCPMJSQDNPHO-MGPQQGTHSA-N 0 3 280.324 1.473 20 5 CDBDHN COC[C@@H](CCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219223825 356239538 /nfs/dbraw/zinc/23/95/38/356239538.db2.gz CANOSDVNWXQDPK-CMPLNLGQSA-N 0 3 268.313 1.643 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CN1C1CC1 ZINC000267895297 363560066 /nfs/dbraw/zinc/56/00/66/363560066.db2.gz UBSKSFKWZMUUAR-RKDXNWHRSA-N 0 3 265.317 1.365 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264463911 357330245 /nfs/dbraw/zinc/33/02/45/357330245.db2.gz FCYKEGJGOCYBIW-LLVKDONJSA-N 0 3 292.339 1.623 20 5 CDBDHN COc1cc(C(=O)N(C)CCN(C)C)cc([N+](=O)[O-])c1C ZINC000188704225 357928706 /nfs/dbraw/zinc/92/87/06/357928706.db2.gz NLYHFBXPKKGWJI-UHFFFAOYSA-N 0 3 295.339 1.545 20 5 CDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408122668 358164437 /nfs/dbraw/zinc/16/44/37/358164437.db2.gz YPVOEYINEIWFRB-GWCFXTLKSA-N 0 3 292.339 1.622 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015925 359276364 /nfs/dbraw/zinc/27/63/64/359276364.db2.gz QIAKHLVNQQATHA-SKDRFNHKSA-N 0 3 265.313 1.584 20 5 CDBDHN CNC(=O)[C@H](C)N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000291936637 283433258 /nfs/dbraw/zinc/43/32/58/283433258.db2.gz PHJCVGLJBBSERY-GXFFZTMASA-N 0 3 291.351 1.640 20 5 CDBDHN C[C@H]1CC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562488170 360009065 /nfs/dbraw/zinc/00/90/65/360009065.db2.gz OTNPTFFCRBKHBL-GXFFZTMASA-N 0 3 298.364 1.757 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@]1(O)CCSC1 ZINC000176753717 189007482 /nfs/dbraw/zinc/00/74/82/189007482.db2.gz KXKXWKPFHAJTPL-LBPRGKRZSA-N 0 3 268.338 1.552 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN1C1CC1 ZINC000268038925 364081555 /nfs/dbraw/zinc/08/15/55/364081555.db2.gz XLRAUOMKXQLNCF-IUCAKERBSA-N 0 3 278.312 1.278 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000103118851 364600860 /nfs/dbraw/zinc/60/08/60/364600860.db2.gz KGZQRYFBFWRFHS-UHFFFAOYSA-N 0 3 277.324 1.763 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000330907246 203378106 /nfs/dbraw/zinc/37/81/06/203378106.db2.gz NRQKSBWSTPSNNV-DTWKUNHWSA-N 0 3 283.353 1.869 20 5 CDBDHN CN1CCC(CCO)(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000330911767 203381636 /nfs/dbraw/zinc/38/16/36/203381636.db2.gz HNTNELVJUDJLJH-UHFFFAOYSA-N 0 3 299.396 1.593 20 5 CDBDHN CC[C@@H](CO)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000295700032 370575748 /nfs/dbraw/zinc/57/57/48/370575748.db2.gz MIACJHZRUHHLNF-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C)C ZINC000298364727 373513768 /nfs/dbraw/zinc/51/37/68/373513768.db2.gz RCYRFAOHNAPWIG-QMMMGPOBSA-N 0 3 296.283 1.183 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN(CCO)C2CC2)c1 ZINC000298755902 374140706 /nfs/dbraw/zinc/14/07/06/374140706.db2.gz NRJFMPHPLAKUSE-UHFFFAOYSA-N 0 3 266.297 1.430 20 5 CDBDHN O=C1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCCN12 ZINC000313798911 374359808 /nfs/dbraw/zinc/35/98/08/374359808.db2.gz LJCNQRHMELAMOS-ZIAGYGMSSA-N 0 3 289.335 1.838 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCCN1CCCO ZINC000449388606 374805540 /nfs/dbraw/zinc/80/55/40/374805540.db2.gz PMNORGZRSCMKHW-AWEZNQCLSA-N 0 3 293.367 1.531 20 5 CDBDHN C[C@@H](NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000020091510 374844959 /nfs/dbraw/zinc/84/49/59/374844959.db2.gz AZNPBQKHQYUERT-GFCCVEGCSA-N 0 3 279.340 1.578 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000162737820 375502670 /nfs/dbraw/zinc/50/26/70/375502670.db2.gz FANVQKSICOJYMY-NEPJUHHUSA-N 0 3 292.339 1.573 20 5 CDBDHN C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N(C)C ZINC000294244697 376007480 /nfs/dbraw/zinc/00/74/80/376007480.db2.gz FPOOMKCWVJYTLU-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN C[C@H](NC[C@H](O)Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000296536940 376363800 /nfs/dbraw/zinc/36/38/00/376363800.db2.gz DSTDWFOQPYUMOM-FZMZJTMJSA-N 0 3 290.323 1.503 20 5 CDBDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000443332467 250023647 /nfs/dbraw/zinc/02/36/47/250023647.db2.gz HSYFZBQSPODMIG-WOPDTQHZSA-N 0 3 282.344 1.273 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000286877193 196724150 /nfs/dbraw/zinc/72/41/50/196724150.db2.gz DYERTSLEAZLBGA-NSHDSACASA-N 0 3 279.340 1.594 20 5 CDBDHN Cc1nc(N2CCC[C@@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000450262275 390465213 /nfs/dbraw/zinc/46/52/13/390465213.db2.gz RVLTUTCEYMXBHK-GFCCVEGCSA-N 0 3 291.355 1.758 20 5 CDBDHN CC(C)c1ccc(CNC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415097162 391257093 /nfs/dbraw/zinc/25/70/93/391257093.db2.gz RVTXEKFNCZGDPA-ZDUSSCGKSA-N 0 3 293.367 1.796 20 5 CDBDHN Cc1nc(N2CC[C@]3(C2)CCCN(C)C3)ncc1[N+](=O)[O-] ZINC000294831135 391724800 /nfs/dbraw/zinc/72/48/00/391724800.db2.gz ADGUWTOMQVJNDF-CQSZACIVSA-N 0 3 291.355 1.615 20 5 CDBDHN C[C@H]1NCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000262758356 131258414 /nfs/dbraw/zinc/25/84/14/131258414.db2.gz HZQOJNTXCLACHV-GHMZBOCLSA-N 0 3 293.323 1.182 20 5 CDBDHN CN1CCN(CCNc2ncc([N+](=O)[O-])s2)CC1(C)C ZINC000282064342 393170727 /nfs/dbraw/zinc/17/07/27/393170727.db2.gz YQZUQXOLERONRO-UHFFFAOYSA-N 0 3 299.400 1.489 20 5 CDBDHN CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000124895513 393142619 /nfs/dbraw/zinc/14/26/19/393142619.db2.gz COVKROFPKOYNMZ-GFCCVEGCSA-N 0 3 265.313 1.551 20 5 CDBDHN C[C@H]1CCN[C@@H](C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000423227169 397602888 /nfs/dbraw/zinc/60/28/88/397602888.db2.gz URUCMIYJZVCLRW-WCQYABFASA-N 0 3 291.351 1.642 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1O ZINC000352659475 155330325 /nfs/dbraw/zinc/33/03/25/155330325.db2.gz JTPPKHMUGCLQKJ-STQMWFEESA-N 0 3 250.298 1.940 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000346223597 153102810 /nfs/dbraw/zinc/10/28/10/153102810.db2.gz MPFQMDKDBWOJIG-NXEZZACHSA-N 0 3 297.330 1.904 20 5 CDBDHN C[C@@H](NC(=O)CCOC1CNC1)c1cccc([N+](=O)[O-])c1 ZINC000348987119 154020413 /nfs/dbraw/zinc/02/04/13/154020413.db2.gz DQPAUETUMZETHL-SNVBAGLBSA-N 0 3 293.323 1.151 20 5 CDBDHN COC(=O)COc1ccc(CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000355604321 157139460 /nfs/dbraw/zinc/13/94/60/157139460.db2.gz HEUXWQVFOYKQMB-UHFFFAOYSA-N 0 3 296.323 1.987 20 5 CDBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358302203 157912736 /nfs/dbraw/zinc/91/27/36/157912736.db2.gz JKVKMEITVRSMGQ-GFCCVEGCSA-N 0 3 269.276 1.212 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@](O)(C3CC3)C2)cc1 ZINC000373303251 160190283 /nfs/dbraw/zinc/19/02/83/160190283.db2.gz YKLNJIDNIYRZKG-HNNXBMFYSA-N 0 3 292.335 1.820 20 5 CDBDHN CCNC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285373556 196264410 /nfs/dbraw/zinc/26/44/10/196264410.db2.gz RBSLQTZNPHXRLW-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN CSCC[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040464242 174273272 /nfs/dbraw/zinc/27/32/72/174273272.db2.gz WRCIPZFWNQRAGJ-CABZTGNLSA-N 0 3 297.380 1.852 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](O)C2)c1 ZINC000046055623 175391048 /nfs/dbraw/zinc/39/10/48/175391048.db2.gz HNSXDTBGXQJQGO-GFCCVEGCSA-N 0 3 266.297 1.430 20 5 CDBDHN COC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071267739 176100893 /nfs/dbraw/zinc/10/08/93/176100893.db2.gz UZLOXMADMZSPPG-ZYHUDNBSSA-N 0 3 268.313 1.561 20 5 CDBDHN CC1CCN(CCNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000040772360 424560359 /nfs/dbraw/zinc/56/03/59/424560359.db2.gz GMPDZDLMVWXEGP-UHFFFAOYSA-N 0 3 265.317 1.529 20 5 CDBDHN CC(C)(C)[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000081625180 275531580 /nfs/dbraw/zinc/53/15/80/275531580.db2.gz QEOPUGHWNVLXED-GFCCVEGCSA-N 0 3 279.340 1.627 20 5 CDBDHN CN1CCN(CCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020128511 277105387 /nfs/dbraw/zinc/10/53/87/277105387.db2.gz UXDLSWAQLAZVFV-UHFFFAOYSA-N 0 3 292.383 1.322 20 5 CDBDHN CO[C@@]1(C)C[C@@H](NCc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000451484685 277702303 /nfs/dbraw/zinc/70/23/03/277702303.db2.gz HJATYIHVGNTVMQ-MFKMUULPSA-N 0 3 282.344 1.622 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)COCC2CC2)c1 ZINC000051634452 279181193 /nfs/dbraw/zinc/18/11/93/279181193.db2.gz VSVYQZNHOZLHKZ-CQSZACIVSA-N 0 3 280.324 1.472 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2CCOC2)cc1 ZINC000088718521 279258982 /nfs/dbraw/zinc/25/89/82/279258982.db2.gz MPLUGMLWMXZPPN-JTQLQIEISA-N 0 3 252.270 1.352 20 5 CDBDHN C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000038083200 279478198 /nfs/dbraw/zinc/47/81/98/279478198.db2.gz GECCNZUMEILSOM-QWRGUYRKSA-N 0 3 298.364 1.680 20 5 CDBDHN CCN(C)CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255313977 289365190 /nfs/dbraw/zinc/36/51/90/289365190.db2.gz WRDHLZXHBORWLV-TWGQIWQCSA-N 0 3 277.324 1.676 20 5 CDBDHN C[C@@H](CNCCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000560343017 293022804 /nfs/dbraw/zinc/02/28/04/293022804.db2.gz VSRNJJSYLXQEKX-JTQLQIEISA-N 0 3 286.353 1.160 20 5 CDBDHN COC[C@H](CCO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223970171 293101962 /nfs/dbraw/zinc/10/19/62/293101962.db2.gz HDCJIHGMMHGRME-PWSUYJOCSA-N 0 3 268.313 1.643 20 5 CDBDHN CCN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181678501 323242332 /nfs/dbraw/zinc/24/23/32/323242332.db2.gz NCVSPQICXNHKGQ-JTQLQIEISA-N 0 3 254.286 1.286 20 5 CDBDHN CC(C)NCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000583642626 325215574 /nfs/dbraw/zinc/21/55/74/325215574.db2.gz OFZCCJMJCGEXRV-UHFFFAOYSA-N 0 3 285.731 1.862 20 5 CDBDHN COCCOCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044693961 524011257 /nfs/dbraw/zinc/01/12/57/524011257.db2.gz YJYTUUSAHPTSLL-LLVKDONJSA-N 0 3 268.313 1.908 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000081525815 524080496 /nfs/dbraw/zinc/08/04/96/524080496.db2.gz ZVVQHWCDGKJQBU-NSHDSACASA-N 0 3 295.339 1.288 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@H](C)NC[C@@H]1C ZINC000261667592 535970307 /nfs/dbraw/zinc/97/03/07/535970307.db2.gz ZPLUIYVINBDORT-IUCAKERBSA-N 0 3 267.333 1.306 20 5 CDBDHN CNC(=O)C[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000322775230 536299435 /nfs/dbraw/zinc/29/94/35/536299435.db2.gz JIFSWVATOIORJS-VIFPVBQESA-N 0 3 251.286 1.209 20 5 CDBDHN CCN(CC)CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000772037178 575653257 /nfs/dbraw/zinc/65/32/57/575653257.db2.gz NVVBLVANRQQRNV-UHFFFAOYSA-N 0 3 299.302 1.815 20 5 CDBDHN CCN(CC)CCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000772240781 575675314 /nfs/dbraw/zinc/67/53/14/575675314.db2.gz JXSINSJTPWPXLU-UHFFFAOYSA-N 0 3 281.312 1.676 20 5 CDBDHN C[C@H]1CCCN1CCNc1c([N+](=O)[O-])ncn1C ZINC000742427294 576602530 /nfs/dbraw/zinc/60/25/30/576602530.db2.gz HDUUDQZBOSKIFF-VIFPVBQESA-N 0 3 253.306 1.225 20 5 CDBDHN C[C@H]1CCCN1CCNc1ncccc1[N+](=O)[O-] ZINC000742426727 576602758 /nfs/dbraw/zinc/60/27/58/576602758.db2.gz BKMBSDDHHHVATE-JTQLQIEISA-N 0 3 250.302 1.886 20 5 CDBDHN CCn1nccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000753852660 576863051 /nfs/dbraw/zinc/86/30/51/576863051.db2.gz FCNLYTBWNWKITM-AWEZNQCLSA-N 0 3 290.323 1.634 20 5 CDBDHN CC[C@H](COC)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893021099 618064278 /nfs/dbraw/zinc/06/42/78/618064278.db2.gz DLAYPKVHWIWWGU-SNVBAGLBSA-N 0 3 284.312 1.824 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000894041455 618282774 /nfs/dbraw/zinc/28/27/74/618282774.db2.gz CEXPDVSCJKPHOI-GXSJLCMTSA-N 0 3 296.323 1.824 20 5 CDBDHN CN1CC[C@@H]2CC[C@H](C1)N2c1ncccc1[N+](=O)[O-] ZINC000895193576 619445350 /nfs/dbraw/zinc/44/53/50/619445350.db2.gz XCMQQNHNFUZJAA-WDEREUQCSA-N 0 3 262.313 1.663 20 5 CDBDHN COC(=O)c1cc(N[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC001167278572 1158555982 /nfs/dbraw/zinc/55/59/82/1158555982.db2.gz MWBSJOUECYYBJH-JTQLQIEISA-N 0 3 279.296 1.497 20 5 CDBDHN COc1ccc(C[C@H](C)NC2(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001170294624 1162327844 /nfs/dbraw/zinc/32/78/44/1162327844.db2.gz CCADAYRUFKXTTK-VIFPVBQESA-N 0 3 293.323 1.142 20 5 CDBDHN COc1cc(C)c([N+](=O)[O-])cc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170567123 1162940888 /nfs/dbraw/zinc/94/08/88/1162940888.db2.gz JEOKLEZIMCSCAP-YGRLFVJLSA-N 0 3 295.339 1.701 20 5 CDBDHN COc1c(F)cc(N[C@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170570199 1162954603 /nfs/dbraw/zinc/95/46/03/1162954603.db2.gz UMXUWYCWOWNUKF-PELKAZGASA-N 0 3 299.302 1.531 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000401338580 1186411232 /nfs/dbraw/zinc/41/12/32/1186411232.db2.gz QLZYEHADPKIJOI-HRDYMLBCSA-N 0 3 266.301 1.134 20 5 CDBDHN CC(C)(C)[C@@H](N)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642843 1164568415 /nfs/dbraw/zinc/56/84/15/1164568415.db2.gz XNJRGKGUJHAXOC-VIFPVBQESA-N 0 3 255.322 1.379 20 5 CDBDHN CC(=O)Nc1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113629 782818192 /nfs/dbraw/zinc/81/81/92/782818192.db2.gz RWTDBQPHYMGLGM-VIFPVBQESA-N 0 3 280.280 1.775 20 5 CDBDHN CN(CCO)CCNc1ccc([N+](=O)[O-])cc1F ZINC000884824252 782857369 /nfs/dbraw/zinc/85/73/69/782857369.db2.gz TZURJCGRIDCFBQ-UHFFFAOYSA-N 0 3 257.265 1.070 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CCO ZINC000133013579 783014311 /nfs/dbraw/zinc/01/43/11/783014311.db2.gz NVZUWDOWGTZXAB-VIFPVBQESA-N 0 3 254.286 1.464 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000778256245 780358294 /nfs/dbraw/zinc/35/82/94/780358294.db2.gz ZJNLRZHIHIOUQT-HONMWMINSA-N 0 3 280.324 1.331 20 5 CDBDHN CC(COC(=O)[C@@H]1CCN(c2ccccc2)C1)[N+](=O)[O-] ZINC000835456442 780848846 /nfs/dbraw/zinc/84/88/46/780848846.db2.gz UXGMUDOAZSOCNT-NWDGAFQWSA-N 0 3 278.308 1.721 20 5 CDBDHN Nc1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000853232204 783322874 /nfs/dbraw/zinc/32/28/74/783322874.db2.gz VTSGOUCMJHWDFO-SNVBAGLBSA-N 0 3 262.313 1.826 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(C(=O)N(C)C)C1 ZINC001173227059 912320365 /nfs/dbraw/zinc/32/03/65/912320365.db2.gz NEBYAGRSSRBKPQ-LLVKDONJSA-N 0 3 291.351 1.546 20 5 CDBDHN CC(C)(CCO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001167740289 899768108 /nfs/dbraw/zinc/76/81/08/899768108.db2.gz XJQMFQUGIKGVLW-UHFFFAOYSA-N 0 3 265.313 1.771 20 5 CDBDHN CC(COC(=O)[C@@H]1CCN(c2ccccc2)C1)[N+](=O)[O-] ZINC000835456448 936734523 /nfs/dbraw/zinc/73/45/23/936734523.db2.gz UXGMUDOAZSOCNT-VXGBXAGGSA-N 0 3 278.308 1.721 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1N1C[C@H]2CCN(C)[C@H]2C1 ZINC001324490031 927237876 /nfs/dbraw/zinc/23/78/76/927237876.db2.gz YQMIVCGIPPCSCP-PWSUYJOCSA-N 0 3 262.313 1.439 20 5 CDBDHN CCn1ccc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168972643 927597588 /nfs/dbraw/zinc/59/75/88/927597588.db2.gz NOMHZHUUNQBTNS-GHMZBOCLSA-N 0 3 252.318 1.438 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCC[C@H]2CO)cc1 ZINC000776579261 927754542 /nfs/dbraw/zinc/75/45/42/927754542.db2.gz LGVQOERTMXKKCC-UONOGXRCSA-N 0 3 280.324 1.475 20 5 CDBDHN NCc1ccc2c(n1)N(c1cccnc1[N+](=O)[O-])CCC2 ZINC001169592456 928203843 /nfs/dbraw/zinc/20/38/43/928203843.db2.gz TXGUHQOQKSAARB-UHFFFAOYSA-N 0 3 285.307 1.928 20 5 CDBDHN Cc1cnc(N2C[C@H]3CCCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001157260252 929390151 /nfs/dbraw/zinc/39/01/51/929390151.db2.gz IQCPCKYANYOSFI-YPMHNXCESA-N 0 3 276.340 1.829 20 5 CDBDHN CN1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881772984 929898382 /nfs/dbraw/zinc/89/83/82/929898382.db2.gz LMZMYWNJANJNGW-UHFFFAOYSA-N 0 3 254.265 1.635 20 5 CDBDHN CN(CCO)CCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC000884826232 930639036 /nfs/dbraw/zinc/63/90/36/930639036.db2.gz QHWLZSKWQJQFDS-UHFFFAOYSA-N 0 3 290.323 1.479 20 5 CDBDHN CON(C)C(=O)CCNCc1cccc([N+](=O)[O-])c1C ZINC000819262552 930783419 /nfs/dbraw/zinc/78/34/19/930783419.db2.gz VTODVNJZGQHDGE-UHFFFAOYSA-N 0 3 281.312 1.403 20 5 CDBDHN CO[C@H](CC(=O)OCC(C)[N+](=O)[O-])C(F)(F)F ZINC000845574811 931847426 /nfs/dbraw/zinc/84/74/26/931847426.db2.gz DDBGBYQKHALCCZ-PHDIDXHHSA-N 0 3 259.180 1.162 20 5 CDBDHN CC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1OC ZINC000931770668 933621937 /nfs/dbraw/zinc/62/19/37/933621937.db2.gz ATIBVXOFVLQAOB-JTQLQIEISA-N 0 3 254.286 1.464 20 5 CDBDHN CCN(CCC(=O)NC)Cc1ccc([N+](=O)[O-])cc1 ZINC000933866011 933866394 /nfs/dbraw/zinc/86/63/94/933866394.db2.gz HXGDOIWWHCZYIR-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN CC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001019903512 935720072 /nfs/dbraw/zinc/72/00/72/935720072.db2.gz DFKNTYGMOZQEHQ-HAQNSBGRSA-N 0 3 263.297 1.352 20 5 CDBDHN CC(C)=CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122984010 936097730 /nfs/dbraw/zinc/09/77/30/936097730.db2.gz DWYZUTXONOWNNK-UHFFFAOYSA-N 0 3 277.324 1.767 20 5 CDBDHN COc1nc(N2C[C@H]3[C@H](C2)CCCN3C)ccc1[N+](=O)[O-] ZINC001157263003 938471316 /nfs/dbraw/zinc/47/13/16/938471316.db2.gz ZVDLXEWSAIYETP-JQWIXIFHSA-N 0 3 292.339 1.529 20 5 CDBDHN NCc1ccnn1-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001162590858 939096625 /nfs/dbraw/zinc/09/66/25/939096625.db2.gz GIXSWOUZVJDNRE-UHFFFAOYSA-N 0 3 287.254 1.927 20 5 CDBDHN COc1cc(C)nc(N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC001165140129 939516142 /nfs/dbraw/zinc/51/61/42/939516142.db2.gz HYIHDUTVEPSACY-UHFFFAOYSA-N 0 3 294.355 1.839 20 5 CDBDHN CCN1CCC(Oc2cc[n+]([O-])cc2[N+](=O)[O-])CC1 ZINC001229455286 942476852 /nfs/dbraw/zinc/47/68/52/942476852.db2.gz ZQIVWVGSDBJNHN-UHFFFAOYSA-N 0 3 267.285 1.091 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCN(C)C1 ZINC001229957855 942558326 /nfs/dbraw/zinc/55/83/26/942558326.db2.gz MLPGDKFIWZIPGL-JTQLQIEISA-N 0 3 294.307 1.773 20 5 CDBDHN CC(=O)N1CC(N[C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254541613 947517666 /nfs/dbraw/zinc/51/76/66/947517666.db2.gz IBGCXGHMKUKWKY-SNVBAGLBSA-N 0 3 277.324 1.346 20 5 CDBDHN CC(C)CNC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539678 947518496 /nfs/dbraw/zinc/51/84/96/947518496.db2.gz JDRYSGHYHGIBLQ-LBPRGKRZSA-N 0 3 293.367 1.888 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](CO)[C@@H](O)C1 ZINC001254552256 947521641 /nfs/dbraw/zinc/52/16/41/947521641.db2.gz JNDDNKONRFOAED-KYOSRNDESA-N 0 3 294.351 1.201 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cnco1)C2 ZINC001254576871 947534687 /nfs/dbraw/zinc/53/46/87/947534687.db2.gz ALORGMBKYVCUJT-LLVKDONJSA-N 0 3 259.265 1.840 20 5 CDBDHN CCN(C1CN(C)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254612875 947556553 /nfs/dbraw/zinc/55/65/53/947556553.db2.gz ZYBQKFHNNQYFPP-CQSZACIVSA-N 0 3 275.352 1.698 20 5 CDBDHN CNC(=O)CCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001308260783 956503749 /nfs/dbraw/zinc/50/37/49/956503749.db2.gz MYDUBQNRNZARDZ-UHFFFAOYSA-N 0 3 279.340 1.944 20 5 CDBDHN COc1c(O)ccc(CN[C@@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC001308637574 956554768 /nfs/dbraw/zinc/55/47/68/956554768.db2.gz MOIHELFKGGZZQF-DTWKUNHWSA-N 0 3 284.312 1.558 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC001308637574 956554776 /nfs/dbraw/zinc/55/47/76/956554776.db2.gz MOIHELFKGGZZQF-DTWKUNHWSA-N 0 3 284.312 1.558 20 5 CDBDHN CCN1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001337093127 960929343 /nfs/dbraw/zinc/92/93/43/960929343.db2.gz XSOVIFUDFJKLQC-VHSXEESVSA-N 0 3 279.344 1.491 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCC[C@@H]2F)c1 ZINC000591767851 342645998 /nfs/dbraw/zinc/64/59/98/342645998.db2.gz UHYQDXATVVOHME-FPMFFAJLSA-N 0 3 298.314 1.815 20 5 CDBDHN Cc1ccc(CN[C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593690181 342823333 /nfs/dbraw/zinc/82/33/33/342823333.db2.gz UNFIODXYWKNUJQ-NSHDSACASA-N 0 3 256.277 1.713 20 5 CDBDHN CC(C)C(=O)NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594490712 342913563 /nfs/dbraw/zinc/91/35/63/342913563.db2.gz QTCSTOVXVBHJGM-CYBMUJFWSA-N 0 3 291.351 1.944 20 5 CDBDHN O=[N+]([O-])c1ncccc1N[C@H]1CCN(CC2CC2)C1 ZINC000609384354 342267855 /nfs/dbraw/zinc/26/78/55/342267855.db2.gz MVGLRSHYFWHVFY-NSHDSACASA-N 0 3 262.313 1.886 20 5 CDBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000594964906 342990638 /nfs/dbraw/zinc/99/06/38/342990638.db2.gz CUZYZMSGNCSZRI-JTQLQIEISA-N 0 3 250.298 1.845 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCO ZINC000595006135 342989274 /nfs/dbraw/zinc/98/92/74/342989274.db2.gz HXASBMWPWPQVCW-VIFPVBQESA-N 0 3 254.286 1.636 20 5 CDBDHN COC[C@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000069911778 342347229 /nfs/dbraw/zinc/34/72/29/342347229.db2.gz NYLIFLKTPGMORW-GFCCVEGCSA-N 0 3 254.286 1.082 20 5 CDBDHN C[NH+](C)CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596083374 343220275 /nfs/dbraw/zinc/22/02/75/343220275.db2.gz UAGPKDBZQNZDNN-UHFFFAOYSA-N 0 3 280.328 1.473 20 5 CDBDHN O=c1[n-]ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596119108 343232456 /nfs/dbraw/zinc/23/24/56/343232456.db2.gz JNUYZYAIHHQABW-SNVBAGLBSA-N 0 3 278.312 1.592 20 5 CDBDHN O=c1[n-]ccc(N[C@@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596119108 343232459 /nfs/dbraw/zinc/23/24/59/343232459.db2.gz JNUYZYAIHHQABW-SNVBAGLBSA-N 0 3 278.312 1.592 20 5 CDBDHN COC(=O)[C@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000597242981 343481171 /nfs/dbraw/zinc/48/11/71/343481171.db2.gz OTCDQHUPYPKBDK-XYPYZODXSA-N 0 3 294.307 1.645 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCN1CC[C@@H](O)C1 ZINC000599085123 343950801 /nfs/dbraw/zinc/95/08/01/343950801.db2.gz MVGYBUJGXXYEMG-RISCZKNCSA-N 0 3 291.351 1.238 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CC[C@H](O)C1 ZINC000599091519 343952144 /nfs/dbraw/zinc/95/21/44/343952144.db2.gz BAZDXBQWTZJMSG-JSGCOSHPSA-N 0 3 293.367 1.620 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343516066 362490994 /nfs/dbraw/zinc/49/09/94/362490994.db2.gz KNIUTDNPKHPKBK-AAEUAGOBSA-N 0 3 291.351 1.736 20 5 CDBDHN O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1CSCCN1 ZINC000603417765 344807671 /nfs/dbraw/zinc/80/76/71/344807671.db2.gz AGRXQIIEWOFXLZ-ZETCQYMHSA-N 0 3 288.760 1.182 20 5 CDBDHN CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000344306971 362562339 /nfs/dbraw/zinc/56/23/39/362562339.db2.gz HEEXFZOCGTVKRW-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(N)=O ZINC000618619947 345498829 /nfs/dbraw/zinc/49/88/29/345498829.db2.gz BKCWSYBCFYPHAF-SECBINFHSA-N 0 3 289.291 1.818 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](n3ccnc3)C2)c1 ZINC000610447626 346284232 /nfs/dbraw/zinc/28/42/32/346284232.db2.gz CNLWMIJLMVFXOO-LBPRGKRZSA-N 0 3 290.327 1.325 20 5 CDBDHN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1 ZINC000148419502 362693184 /nfs/dbraw/zinc/69/31/84/362693184.db2.gz OFWQZJYWWLINDG-OCAPTIKFSA-N 0 3 270.720 1.830 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2cccc(F)c2)c1 ZINC000037884551 346369571 /nfs/dbraw/zinc/36/95/71/346369571.db2.gz WWUBLMRYQLTYRH-CYBMUJFWSA-N 0 3 294.286 1.081 20 5 CDBDHN CN(C)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000610764490 346399087 /nfs/dbraw/zinc/39/90/87/346399087.db2.gz ZKYYRJFFSLKTQV-GFCCVEGCSA-N 0 3 280.328 1.147 20 5 CDBDHN Cc1ccnc(N2CC[C@@H](OCCN(C)C)C2)c1[N+](=O)[O-] ZINC000610764449 346399454 /nfs/dbraw/zinc/39/94/54/346399454.db2.gz OSWOMRVVSHPYCJ-GFCCVEGCSA-N 0 3 294.355 1.455 20 5 CDBDHN COc1cc(CNC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1[O-] ZINC001579153230 1172107973 /nfs/dbraw/zinc/10/79/73/1172107973.db2.gz UJANBXHFJWVESG-NSHDSACASA-N 0 3 295.339 1.541 20 5 CDBDHN CN1CCC(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000074067114 349198045 /nfs/dbraw/zinc/19/80/45/349198045.db2.gz BFRVKYNHLNOOEJ-UHFFFAOYSA-N 0 3 291.351 1.595 20 5 CDBDHN CSCC[C@@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554440 180002266 /nfs/dbraw/zinc/00/22/66/180002266.db2.gz HIBULXARLJIFKC-LLVKDONJSA-N 0 3 299.396 1.830 20 5 CDBDHN COC[C@H](O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090950241 180071609 /nfs/dbraw/zinc/07/16/09/180071609.db2.gz AFNWTMZGHKEQAV-ZWNOBZJWSA-N 0 3 268.313 1.643 20 5 CDBDHN COc1ccc(NC(=O)[C@@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000136481000 363110560 /nfs/dbraw/zinc/11/05/60/363110560.db2.gz YRKUSQDVPNFCGU-NSHDSACASA-N 0 3 267.285 1.525 20 5 CDBDHN CS[C@H](CO)[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293722324 363209098 /nfs/dbraw/zinc/20/90/98/363209098.db2.gz MNLNDMPUOWEBPY-MWODSPESSA-N 0 3 299.396 1.940 20 5 CDBDHN CN(C)[C@@]1(CNc2ncc([N+](=O)[O-])cn2)CCSC1 ZINC000273580249 192214047 /nfs/dbraw/zinc/21/40/47/192214047.db2.gz FOUWETCEXNVLOO-LLVKDONJSA-N 0 3 283.357 1.234 20 5 CDBDHN COc1ccc(CNCCc2cnccn2)cc1[N+](=O)[O-] ZINC000341293871 357222840 /nfs/dbraw/zinc/22/28/40/357222840.db2.gz IQHKSRARINUIAP-UHFFFAOYSA-N 0 3 288.307 1.726 20 5 CDBDHN C[C@H]1CCC[C@H](CO)N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383890 357341236 /nfs/dbraw/zinc/34/12/36/357341236.db2.gz LOHWALSBRKXTRD-GLQYFDAESA-N 0 3 294.351 1.864 20 5 CDBDHN O=C1CC[C@H](NCc2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282704685 357471264 /nfs/dbraw/zinc/47/12/64/357471264.db2.gz GFHQVFGMFIXJBC-ZDUSSCGKSA-N 0 3 289.335 1.886 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000186785489 357689660 /nfs/dbraw/zinc/68/96/60/357689660.db2.gz BSXACBUFRHERDG-UHFFFAOYSA-N 0 3 283.353 1.823 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](N2CCCC2)C1 ZINC000408071568 357810776 /nfs/dbraw/zinc/81/07/76/357810776.db2.gz NTJCDCXBWPABBV-JTQLQIEISA-N 0 3 293.327 1.018 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000188671092 357924606 /nfs/dbraw/zinc/92/46/06/357924606.db2.gz JJOSOQDSVNGKSU-ADEWGFFLSA-N 0 3 295.314 1.780 20 5 CDBDHN C[C@H]1C[C@H](O)CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337472553 358047884 /nfs/dbraw/zinc/04/78/84/358047884.db2.gz QKINOSKFXXZLFU-QWRGUYRKSA-N 0 3 293.323 1.379 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCCO ZINC000193250389 358278226 /nfs/dbraw/zinc/27/82/26/358278226.db2.gz HFDRVFVTBUKTGC-UHFFFAOYSA-N 0 3 268.313 1.856 20 5 CDBDHN CN1CCC[C@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264949014 358791522 /nfs/dbraw/zinc/79/15/22/358791522.db2.gz XUKLIRBSWAZVBI-XEHSLEBBSA-N 0 3 289.335 1.818 20 5 CDBDHN Cc1nc(N2CCN(C)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450330749 358892100 /nfs/dbraw/zinc/89/21/00/358892100.db2.gz POCVDBASTFIYAP-SECBINFHSA-N 0 3 265.317 1.224 20 5 CDBDHN CCOC[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176307191 358962534 /nfs/dbraw/zinc/96/25/34/358962534.db2.gz OIHBNXDKJYHWOD-NSHDSACASA-N 0 3 268.317 1.150 20 5 CDBDHN C[C@H](C[S@](C)=O)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570175359 359289945 /nfs/dbraw/zinc/28/99/45/359289945.db2.gz IXCFWATWAGOZET-VVSLUIPWSA-N 0 3 282.365 1.939 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000339618064 359416583 /nfs/dbraw/zinc/41/65/83/359416583.db2.gz ALDDRODAMPMEBU-BETUJISGSA-N 0 3 293.367 1.998 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348157766 360532789 /nfs/dbraw/zinc/53/27/89/360532789.db2.gz QWAITQMZAUUNIM-SECBINFHSA-N 0 3 266.301 1.666 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)C ZINC000180587940 189263910 /nfs/dbraw/zinc/26/39/10/189263910.db2.gz WFNFUBKIAGEEJK-UHFFFAOYSA-N 0 3 266.301 1.586 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000037982636 361286207 /nfs/dbraw/zinc/28/62/07/361286207.db2.gz FELFTCHLHWKKSF-NSHDSACASA-N 0 3 284.337 1.119 20 5 CDBDHN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000580338077 363902386 /nfs/dbraw/zinc/90/23/86/363902386.db2.gz HOLYSAQRFZNYEE-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000168685614 370795628 /nfs/dbraw/zinc/79/56/28/370795628.db2.gz JWHQSBKPFPTCHI-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN(CCO)C1CCC1 ZINC000275784469 193127256 /nfs/dbraw/zinc/12/72/56/193127256.db2.gz CTNYFPAGLKYWIX-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN COCCN1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000301130459 368068322 /nfs/dbraw/zinc/06/83/22/368068322.db2.gz UARVHEULPQUFOZ-UHFFFAOYSA-N 0 3 297.359 1.159 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1ccc([N+](=O)[O-])cn1 ZINC000420645043 244309326 /nfs/dbraw/zinc/30/93/26/244309326.db2.gz ZRJOQAROEBKXAD-NSHDSACASA-N 0 3 250.302 1.520 20 5 CDBDHN NC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000037668438 369784046 /nfs/dbraw/zinc/78/40/46/369784046.db2.gz XQEBTPCXMNZOOV-UHFFFAOYSA-N 0 3 263.297 1.483 20 5 CDBDHN CN(C)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000121829019 373462491 /nfs/dbraw/zinc/46/24/91/373462491.db2.gz KUPQIVAOLRHEAW-UHFFFAOYSA-N 0 3 290.323 1.296 20 5 CDBDHN Cc1c(CNC(=O)C(N)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423814448 246111001 /nfs/dbraw/zinc/11/10/01/246111001.db2.gz UBKHUPSLGPWNFF-SECBINFHSA-N 0 3 291.229 1.409 20 5 CDBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000130991156 374348026 /nfs/dbraw/zinc/34/80/26/374348026.db2.gz LTLVYWYFHWUWTG-SNVBAGLBSA-N 0 3 261.285 1.537 20 5 CDBDHN C[C@H]1CN2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056164 374377182 /nfs/dbraw/zinc/37/71/82/374377182.db2.gz OYVPLWGPRARDCP-RYUDHWBXSA-N 0 3 293.371 1.387 20 5 CDBDHN C[S@@](=O)CCCNCc1cccc([N+](=O)[O-])c1 ZINC000116919333 374492364 /nfs/dbraw/zinc/49/23/64/374492364.db2.gz HBJQYLDRZOHPRI-KRWDZBQOSA-N 0 3 256.327 1.453 20 5 CDBDHN C[C@H](CCN1CCN(C)CC1)Nc1ncccc1[N+](=O)[O-] ZINC000274460279 374673053 /nfs/dbraw/zinc/67/30/53/374673053.db2.gz KHOGRKSBLIVVKG-GFCCVEGCSA-N 0 3 293.371 1.428 20 5 CDBDHN Cc1ccc(CNC[C@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280319290 374992367 /nfs/dbraw/zinc/99/23/67/374992367.db2.gz PDJMZVHEDZHHQR-UONOGXRCSA-N 0 3 294.351 1.638 20 5 CDBDHN CN(C)C1(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493273775 375431030 /nfs/dbraw/zinc/43/10/30/375431030.db2.gz RACCAGPKOGEZCW-SREVYHEPSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@H]1OCC[C@@]1(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000227979329 375659757 /nfs/dbraw/zinc/65/97/57/375659757.db2.gz RNNXDFACXWKVEW-ZWNOBZJWSA-N 0 3 266.297 1.224 20 5 CDBDHN C[C@@H]1[C@@H](C)N(CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357048362 375672632 /nfs/dbraw/zinc/67/26/32/375672632.db2.gz ZSMKCSHJXXDZKD-CHWSQXEVSA-N 0 3 293.367 1.998 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@](C)(CO)C1CCCCC1 ZINC000355335758 375790638 /nfs/dbraw/zinc/79/06/38/375790638.db2.gz OTBAHMSDSRBHKG-AWEZNQCLSA-N 0 3 296.371 1.749 20 5 CDBDHN CSC1(CNc2ncc([N+](=O)[O-])cn2)CCN(C)CC1 ZINC000357545636 375916928 /nfs/dbraw/zinc/91/69/28/375916928.db2.gz IVHZGVMRZZZXSD-UHFFFAOYSA-N 0 3 297.384 1.624 20 5 CDBDHN CN(C)CCN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486973511 376351521 /nfs/dbraw/zinc/35/15/21/376351521.db2.gz VRNMXRPCAZANNN-UHFFFAOYSA-N 0 3 291.311 1.643 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC2(CO)CCCC2)cc1 ZINC000053044758 377637365 /nfs/dbraw/zinc/63/73/65/377637365.db2.gz DCJCENNNTHAJHA-UHFFFAOYSA-N 0 3 250.298 1.990 20 5 CDBDHN COc1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129553071 377718969 /nfs/dbraw/zinc/71/89/69/377718969.db2.gz MJEAXRNQAKFHIU-OLZOCXBDSA-N 0 3 280.324 1.852 20 5 CDBDHN CCOC(=O)CC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000385621991 377822511 /nfs/dbraw/zinc/82/25/11/377822511.db2.gz FFMKUSDFMQDOPL-CYBMUJFWSA-N 0 3 296.323 1.389 20 5 CDBDHN C[C@@H]1[C@@H](C)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000174873891 379602396 /nfs/dbraw/zinc/60/23/96/379602396.db2.gz WPZCBYKHWNVUAN-WDEREUQCSA-N 0 3 252.318 1.912 20 5 CDBDHN C[C@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279219987 194338301 /nfs/dbraw/zinc/33/83/01/194338301.db2.gz HZMLTXWWNNHZGE-JOYOIKCWSA-N 0 3 277.324 1.972 20 5 CDBDHN CCC1(CC)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000453021666 252252773 /nfs/dbraw/zinc/25/27/73/252252773.db2.gz QPDQTPPMMBFAKG-GFCCVEGCSA-N 0 3 282.344 1.274 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492799170 253297418 /nfs/dbraw/zinc/29/74/18/253297418.db2.gz MBCFMFRBSUFCQE-STUBTGCMSA-N 0 3 295.314 1.813 20 5 CDBDHN COCCOCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000289102990 197234722 /nfs/dbraw/zinc/23/47/22/197234722.db2.gz VNAQJNDZWZGBER-UHFFFAOYSA-N 0 3 298.339 1.568 20 5 CDBDHN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000497205586 254038317 /nfs/dbraw/zinc/03/83/17/254038317.db2.gz XNXKMRGQBYCVEO-DTWKUNHWSA-N 0 3 290.316 1.498 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1(C)C ZINC000574406030 391137564 /nfs/dbraw/zinc/13/75/64/391137564.db2.gz YQYYTQPBNAJDMK-UHFFFAOYSA-N 0 3 294.355 1.538 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(C)CC1 ZINC000048608942 391380619 /nfs/dbraw/zinc/38/06/19/391380619.db2.gz ADYPIZFCUXIYIG-UHFFFAOYSA-N 0 3 278.312 1.122 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C1(CO)CCOCC1 ZINC000191006565 130171111 /nfs/dbraw/zinc/17/11/11/130171111.db2.gz HEUAUMIWMQIYGV-UHFFFAOYSA-N 0 3 280.324 1.568 20 5 CDBDHN C[C@H]1CNCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000261859110 392024732 /nfs/dbraw/zinc/02/47/32/392024732.db2.gz QZZGFVPCMHLWFU-ZETCQYMHSA-N 0 3 256.693 1.441 20 5 CDBDHN CC(C)OCCCN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000267119413 392141819 /nfs/dbraw/zinc/14/18/19/392141819.db2.gz ZSAZTDNJIBJOMY-UHFFFAOYSA-N 0 3 270.333 1.538 20 5 CDBDHN N[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000261953146 131179446 /nfs/dbraw/zinc/17/94/46/131179446.db2.gz KGKOZVVXKVQIFQ-GFCCVEGCSA-N 0 3 279.296 1.287 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000262701845 131252563 /nfs/dbraw/zinc/25/25/63/131252563.db2.gz AVYLCYVMJPKSOT-JGVFFNPUSA-N 0 3 269.326 1.479 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000262818678 131264633 /nfs/dbraw/zinc/26/46/33/131264633.db2.gz SDWKOGXBYDWYPB-WDEREUQCSA-N 0 3 293.323 1.182 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)NC1CC1 ZINC000449101758 393129126 /nfs/dbraw/zinc/12/91/26/393129126.db2.gz VMYZAZUQSWDPKJ-SECBINFHSA-N 0 3 293.323 1.360 20 5 CDBDHN CNC(=O)c1ccc(N[C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000213309034 140161313 /nfs/dbraw/zinc/16/13/13/140161313.db2.gz SDZANDJMWZTEEL-SECBINFHSA-N 0 3 280.328 1.316 20 5 CDBDHN C[C@@H](O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000310918322 149204457 /nfs/dbraw/zinc/20/44/57/149204457.db2.gz GRDMKISSMRBSPB-DTWKUNHWSA-N 0 3 256.277 1.983 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000344008272 152386642 /nfs/dbraw/zinc/38/66/42/152386642.db2.gz AMERUHZZVRDUER-NILFDRSVSA-N 0 3 292.335 1.676 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000346256127 153114203 /nfs/dbraw/zinc/11/42/03/153114203.db2.gz IIBHEXIFAXREKU-SNVBAGLBSA-N 0 3 281.312 1.040 20 5 CDBDHN CN1CC[C@@](O)(CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349220501 154070134 /nfs/dbraw/zinc/07/01/34/154070134.db2.gz UAUIACWQJBHJLL-GFCCVEGCSA-N 0 3 285.731 1.727 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](C)C1 ZINC000349878281 154253760 /nfs/dbraw/zinc/25/37/60/154253760.db2.gz VQJJXICXZXLEFH-VHSXEESVSA-N 0 3 295.343 1.168 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNCCc1ncn(C)n1 ZINC000350110046 154330550 /nfs/dbraw/zinc/33/05/50/154330550.db2.gz VGXVOPYTYAZSAJ-UHFFFAOYSA-N 0 3 275.312 1.364 20 5 CDBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352193789 155011127 /nfs/dbraw/zinc/01/11/27/155011127.db2.gz GAEWGAIOILLZKN-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[C@H](CO)O1 ZINC000353715129 156035435 /nfs/dbraw/zinc/03/54/35/156035435.db2.gz XHBZREVZCUJCEI-NWDGAFQWSA-N 0 3 266.297 1.224 20 5 CDBDHN C[C@H](NCCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000038047484 174057706 /nfs/dbraw/zinc/05/77/06/174057706.db2.gz JRBRXZXRAZUUOI-JTQLQIEISA-N 0 3 286.353 1.680 20 5 CDBDHN Cc1ccc(CNC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000038087577 174099523 /nfs/dbraw/zinc/09/95/23/174099523.db2.gz WGGJPUKUMMFLLA-LLVKDONJSA-N 0 3 251.330 1.943 20 5 CDBDHN N[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000399156402 270369007 /nfs/dbraw/zinc/36/90/07/270369007.db2.gz BIYYWTXXWNWOAK-LBPRGKRZSA-N 0 3 263.297 1.338 20 5 CDBDHN CC[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000161160403 276406506 /nfs/dbraw/zinc/40/65/06/276406506.db2.gz OBDPHVPAYALGOX-ZDUSSCGKSA-N 0 3 279.340 1.594 20 5 CDBDHN C[C@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759070 280020899 /nfs/dbraw/zinc/02/08/99/280020899.db2.gz KBPUEAUDWHSBTN-GMXVVIOVSA-N 0 3 291.355 1.551 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000575746000 317006587 /nfs/dbraw/zinc/00/65/87/317006587.db2.gz QTDGRVXVMMAGCH-NWDGAFQWSA-N 0 3 294.355 1.719 20 5 CDBDHN CCN(C)CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185130501 323383249 /nfs/dbraw/zinc/38/32/49/323383249.db2.gz PJEKVZPDGHATNH-SNVBAGLBSA-N 0 3 297.330 1.905 20 5 CDBDHN CN(CC[C@H]1CCCO1)CCn1ccc([N+](=O)[O-])n1 ZINC000342603692 482490999 /nfs/dbraw/zinc/49/09/99/482490999.db2.gz LZURKTDEQVWYCA-LLVKDONJSA-N 0 3 268.317 1.292 20 5 CDBDHN C[C@@H](N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295211004 534285594 /nfs/dbraw/zinc/28/55/94/534285594.db2.gz UQWBUFKBMFAJNQ-MFKMUULPSA-N 0 3 282.340 1.719 20 5 CDBDHN CC(C)N(C)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000049399806 519610967 /nfs/dbraw/zinc/61/09/67/519610967.db2.gz VPEGWRUOBSKKDM-UHFFFAOYSA-N 0 3 265.313 1.551 20 5 CDBDHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000156423359 519613843 /nfs/dbraw/zinc/61/38/43/519613843.db2.gz URRHVYOZLMGOPO-AWEZNQCLSA-N 0 3 291.351 1.895 20 5 CDBDHN C[C@@H](N[C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018646 525675794 /nfs/dbraw/zinc/67/57/94/525675794.db2.gz YLLWRHGGGAGMOS-KOLCDFICSA-N 0 3 263.297 1.524 20 5 CDBDHN C[C@H](O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000247077058 525773093 /nfs/dbraw/zinc/77/30/93/525773093.db2.gz GUWJGRATUCMPAO-STQMWFEESA-N 0 3 293.367 1.482 20 5 CDBDHN Cc1c(NNC(=S)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000727981331 574608383 /nfs/dbraw/zinc/60/83/83/574608383.db2.gz JEEWNNSUJFSAOZ-UHFFFAOYSA-N 0 3 297.384 1.256 20 5 CDBDHN CN1CCC(ONC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773540227 575821699 /nfs/dbraw/zinc/82/16/99/575821699.db2.gz FWIWIGSZLLGVJP-UHFFFAOYSA-N 0 3 279.296 1.350 20 5 CDBDHN CNC(=O)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761522433 576580576 /nfs/dbraw/zinc/58/05/76/576580576.db2.gz YWLSYFYSFWZKRZ-UHFFFAOYSA-N 0 3 271.704 1.474 20 5 CDBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000742241269 576591415 /nfs/dbraw/zinc/59/14/15/576591415.db2.gz UEPDYEBIICAIGH-LLVKDONJSA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@@H]1OCC[C@@]1(C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755170500 576934199 /nfs/dbraw/zinc/93/41/99/576934199.db2.gz SKJCKJVXLYYCKR-LEWSCRJBSA-N 0 3 280.324 1.785 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1COC[C@H]1C ZINC000932493461 617316215 /nfs/dbraw/zinc/31/62/15/617316215.db2.gz GHZUWFOAAXQQCA-MFKMUULPSA-N 0 3 293.323 1.466 20 5 CDBDHN Cc1nc(C(C)C)ncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000893044050 618091210 /nfs/dbraw/zinc/09/12/10/618091210.db2.gz FHTZTQZECHLASQ-QMMMGPOBSA-N 0 3 267.285 1.730 20 5 CDBDHN CO[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591226 617688388 /nfs/dbraw/zinc/68/83/88/617688388.db2.gz HTZOENVAZMZTLF-QWHCGFSZSA-N 0 3 266.297 1.349 20 5 CDBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000934010448 617839675 /nfs/dbraw/zinc/83/96/75/617839675.db2.gz CAEPGWXJMRYLJA-UHFFFAOYSA-N 0 3 297.380 1.950 20 5 CDBDHN CC(COC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1)[N+](=O)[O-] ZINC000893044475 618092967 /nfs/dbraw/zinc/09/29/67/618092967.db2.gz JMKKZZLDCWSDAK-CABZTGNLSA-N 0 3 292.291 1.460 20 5 CDBDHN O=[N+]([O-])CCNC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000905376356 626792087 /nfs/dbraw/zinc/79/20/87/626792087.db2.gz TXFGDWOYNJIXAN-OLZOCXBDSA-N 0 3 250.298 1.019 20 5 CDBDHN C[C@H](N)c1ccn(-c2cc(Cl)ncc2[N+](=O)[O-])n1 ZINC001158350115 1162906747 /nfs/dbraw/zinc/90/67/47/1162906747.db2.gz XYASYWKKQVJWCJ-LURJTMIESA-N 0 3 267.676 1.849 20 5 CDBDHN CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC000236648015 1159549289 /nfs/dbraw/zinc/54/92/89/1159549289.db2.gz QIIJVZWBMUDAAJ-UHFFFAOYSA-N 0 3 257.315 1.272 20 5 CDBDHN Cc1c(CN[C@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000873132617 1165514420 /nfs/dbraw/zinc/51/44/20/1165514420.db2.gz AFFGXSYPZXQMEQ-NSHDSACASA-N 0 3 256.277 1.713 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1-c1ccncc1)[N+](=O)[O-] ZINC000813105534 1163805162 /nfs/dbraw/zinc/80/51/62/1163805162.db2.gz ODZCTRKGVNFNSS-VIFPVBQESA-N 0 3 290.279 1.304 20 5 CDBDHN CC(COC(=O)c1ccnc(-n2ccnc2)c1)[N+](=O)[O-] ZINC000813106738 1163813921 /nfs/dbraw/zinc/81/39/21/1163813921.db2.gz GKXOOGOPFKKDMN-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN CCN1C[C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000834889772 895976518 /nfs/dbraw/zinc/97/65/18/895976518.db2.gz JNKRPQZQXUJVGX-ONGXEEELSA-N 0 3 292.339 1.448 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NCC1(O)CCOCC1)CNC2 ZINC001167551719 896767474 /nfs/dbraw/zinc/76/74/74/896767474.db2.gz PFZHMYYFXHYIKQ-UHFFFAOYSA-N 0 3 293.323 1.151 20 5 CDBDHN NCc1nn(-c2nccnc2[N+](=O)[O-])c2ccccc12 ZINC001167695123 898473222 /nfs/dbraw/zinc/47/32/22/898473222.db2.gz CRQAETYVPKUAJU-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cocn1 ZINC001124778906 917631118 /nfs/dbraw/zinc/63/11/18/917631118.db2.gz VZHTZUKSGMKHKX-UHFFFAOYSA-N 0 3 290.279 1.102 20 5 CDBDHN C[C@@H]1C[C@H](O)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832718741 936593548 /nfs/dbraw/zinc/59/35/48/936593548.db2.gz VJBMVXZCTUIOSA-SWHYSGLUSA-N 0 3 280.324 1.331 20 5 CDBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000839647797 936917547 /nfs/dbraw/zinc/91/75/47/936917547.db2.gz WKYZKQSYWUZYFG-GWCFXTLKSA-N 0 3 298.314 1.611 20 5 CDBDHN Cc1ccccc1-n1cc(C(=O)OCC(C)[N+](=O)[O-])nn1 ZINC000842363956 937046936 /nfs/dbraw/zinc/04/69/36/937046936.db2.gz PQYUTOGSYCJBJK-JTQLQIEISA-N 0 3 290.279 1.398 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(CCF)CC2)C1 ZINC001169035991 927644386 /nfs/dbraw/zinc/64/43/86/927644386.db2.gz MKBNAMZRUVQFTQ-VXGBXAGGSA-N 0 3 259.325 1.019 20 5 CDBDHN Cc1nc2c(n1[C@H]1CC[C@H](C[N+](=O)[O-])C1)CNCC2 ZINC001169039908 927652598 /nfs/dbraw/zinc/65/25/98/927652598.db2.gz VQFRNHNJNLSGFQ-QWRGUYRKSA-N 0 3 264.329 1.455 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000852702881 927849441 /nfs/dbraw/zinc/84/94/41/927849441.db2.gz KHXFAXXLPSCICN-BYCMXARLSA-N 0 3 294.351 1.579 20 5 CDBDHN O=C(NC[C@H]1CCN1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000856358666 928584817 /nfs/dbraw/zinc/58/48/17/928584817.db2.gz SOWHOXBSQBGMPM-MGPQQGTHSA-N 0 3 289.335 1.042 20 5 CDBDHN CC(COC(=O)[C@@]1(C)COc2ccccc2O1)[N+](=O)[O-] ZINC000860777022 929197879 /nfs/dbraw/zinc/19/78/79/929197879.db2.gz JHNGULROHCSUAB-NOZJJQNGSA-N 0 3 281.264 1.425 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](CF)C2)c1 ZINC000880296750 929646481 /nfs/dbraw/zinc/64/64/81/929646481.db2.gz FYXKSMBIGBXXRW-ZWNOBZJWSA-N 0 3 268.288 1.920 20 5 CDBDHN C[C@@H](N)c1cn([C@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000881100280 929781696 /nfs/dbraw/zinc/78/16/96/929781696.db2.gz GBKNFPVQVXVVKF-RKDXNWHRSA-N 0 3 261.285 1.815 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCN1CCNC1=O ZINC000886323213 930860788 /nfs/dbraw/zinc/86/07/88/930860788.db2.gz OVMNUFKUQBYAMT-UHFFFAOYSA-N 0 3 292.339 1.326 20 5 CDBDHN CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000846891605 932160594 /nfs/dbraw/zinc/16/05/94/932160594.db2.gz YNZZHTVUYLZLCT-AWEZNQCLSA-N 0 3 293.367 1.654 20 5 CDBDHN NCc1cn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])cn1 ZINC001154906525 937602050 /nfs/dbraw/zinc/60/20/50/937602050.db2.gz JAHTULLYQKGVQE-UHFFFAOYSA-N 0 3 289.082 1.336 20 5 CDBDHN CC[C@H](CO)NCc1cc([N+](=O)[O-])ccc1OC ZINC000035114964 933201705 /nfs/dbraw/zinc/20/17/05/933201705.db2.gz BUMZDYHGMFNPGI-SNVBAGLBSA-N 0 3 254.286 1.464 20 5 CDBDHN O=[N+]([O-])CCN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000930511589 933390063 /nfs/dbraw/zinc/39/00/63/933390063.db2.gz KXHDVNQYMNDMEM-CYBMUJFWSA-N 0 3 261.325 1.400 20 5 CDBDHN COCCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124089028 936283082 /nfs/dbraw/zinc/28/30/82/936283082.db2.gz QQHVWCQGNHFWCT-UHFFFAOYSA-N 0 3 295.339 1.227 20 5 CDBDHN NCc1nn(-c2cccc([N+](=O)[O-])n2)c2ccccc12 ZINC001156855501 938426404 /nfs/dbraw/zinc/42/64/04/938426404.db2.gz BLDVKKORVUJTBG-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CCOC(=O)c1ccc(-n2cnc(CN)c2)c([N+](=O)[O-])c1 ZINC001162304405 938976602 /nfs/dbraw/zinc/97/66/02/938976602.db2.gz PZLTWNZGBAYBKK-UHFFFAOYSA-N 0 3 290.279 1.416 20 5 CDBDHN NCc1ccnn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001162591159 939096130 /nfs/dbraw/zinc/09/61/30/939096130.db2.gz NTRAVOSEVQPCQJ-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2nccc2CN)c1 ZINC001162598391 939099814 /nfs/dbraw/zinc/09/98/14/939099814.db2.gz XAADDVKRTLGLKY-UHFFFAOYSA-N 0 3 276.252 1.026 20 5 CDBDHN O=[N+]([O-])c1ccc2ccnc(-n3ncc4c3CCNC4)c2c1 ZINC001165220708 939527176 /nfs/dbraw/zinc/52/71/76/939527176.db2.gz YNEDGKIZCIYHAH-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN CN1CC[C@@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223485501 941681345 /nfs/dbraw/zinc/68/13/45/941681345.db2.gz FUQOAWMWOGGVRK-GFCCVEGCSA-N 0 3 281.268 1.724 20 5 CDBDHN CCN1CCC(Oc2cccnc2[N+](=O)[O-])CC1 ZINC001225628503 941890679 /nfs/dbraw/zinc/89/06/79/941890679.db2.gz NVYRCPNNHLLAIY-UHFFFAOYSA-N 0 3 251.286 1.853 20 5 CDBDHN C[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692771 942205729 /nfs/dbraw/zinc/20/57/29/942205729.db2.gz CNSJMLJBGLEDSX-VIFPVBQESA-N 0 3 291.311 1.729 20 5 CDBDHN C[N@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692771 942205731 /nfs/dbraw/zinc/20/57/31/942205731.db2.gz CNSJMLJBGLEDSX-VIFPVBQESA-N 0 3 291.311 1.729 20 5 CDBDHN CC(C)N1CC[C@@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228879952 942387581 /nfs/dbraw/zinc/38/75/81/942387581.db2.gz MWJLWKTUCFSWIF-SNVBAGLBSA-N 0 3 251.286 1.851 20 5 CDBDHN CC(COC(=O)[C@@H]1CSC(c2ccccc2)=N1)[N+](=O)[O-] ZINC001263502195 943875370 /nfs/dbraw/zinc/87/53/70/943875370.db2.gz MPKPPYKBXVCIFO-KOLCDFICSA-N 0 3 294.332 1.757 20 5 CDBDHN CC(COC(=O)c1nncc2ccccc21)[N+](=O)[O-] ZINC001263501887 943876260 /nfs/dbraw/zinc/87/62/60/943876260.db2.gz FELIMKCDIHUCEG-MRVPVSSYSA-N 0 3 261.237 1.452 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cnoc1)C2 ZINC001254585839 947540530 /nfs/dbraw/zinc/54/05/30/947540530.db2.gz XQIXOBKKQUKZJQ-LBPRGKRZSA-N 0 3 259.265 1.840 20 5 CDBDHN CO[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001307780100 956439638 /nfs/dbraw/zinc/43/96/38/956439638.db2.gz DNWFKRJTLQZSGM-ZYHUDNBSSA-N 0 3 268.317 1.148 20 5 CDBDHN C[C@H](O)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092356 967025777 /nfs/dbraw/zinc/02/57/77/967025777.db2.gz DPIBLAOQGUVLHU-IINYFYTJSA-N 0 3 280.324 1.473 20 5 CDBDHN COc1ccc(Cl)cc1CCNCC[N+](=O)[O-] ZINC001352805016 967493812 /nfs/dbraw/zinc/49/38/12/967493812.db2.gz YHRQOUUSQHYXPR-UHFFFAOYSA-N 0 3 258.705 1.757 20 5 CDBDHN CN1CCC[C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000587973713 342487564 /nfs/dbraw/zinc/48/75/64/342487564.db2.gz WXLSANNRWJBTQA-JTQLQIEISA-N 0 3 292.339 1.447 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1c1c([N+](=O)[O-])ncn1C ZINC000601192634 342488502 /nfs/dbraw/zinc/48/85/02/342488502.db2.gz XXHRBYJXPJMGQD-SNVBAGLBSA-N 0 3 267.333 1.249 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCCN(C)C2 ZINC000590141900 342522656 /nfs/dbraw/zinc/52/26/56/342522656.db2.gz HDHCBVQCLGGZBP-ZDUSSCGKSA-N 0 3 279.344 1.250 20 5 CDBDHN CNc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000124003369 342065928 /nfs/dbraw/zinc/06/59/28/342065928.db2.gz VLGSVOFFOXAGQL-VIFPVBQESA-N 0 3 280.328 1.316 20 5 CDBDHN C[C@H](CC(N)=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565491005 365661499 /nfs/dbraw/zinc/66/14/99/365661499.db2.gz JSZXFFRWEITTTA-KCJUWKMLSA-N 0 3 263.297 1.436 20 5 CDBDHN C[C@@H](CCO)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108801 342769269 /nfs/dbraw/zinc/76/92/69/342769269.db2.gz CMQOSDPQERMYDK-AAEUAGOBSA-N 0 3 298.339 1.037 20 5 CDBDHN CO[C@@H](CN)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290011640 361970507 /nfs/dbraw/zinc/97/05/07/361970507.db2.gz QGNLKLCDRSENPJ-SKDRFNHKSA-N 0 3 281.312 1.054 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCN2CCCC[C@H]12 ZINC000594601292 342923859 /nfs/dbraw/zinc/92/38/59/342923859.db2.gz NICQIZYANLEYHZ-WDEREUQCSA-N 0 3 279.344 1.757 20 5 CDBDHN CC[C@@](C)(N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594649886 342932237 /nfs/dbraw/zinc/93/22/37/342932237.db2.gz PWMDJHQDXBUNCC-LLVKDONJSA-N 0 3 262.273 1.154 20 5 CDBDHN CCC[C@H](N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653708 342934550 /nfs/dbraw/zinc/93/45/50/342934550.db2.gz YBOVZIYKJCUNSK-VIFPVBQESA-N 0 3 277.284 1.681 20 5 CDBDHN Cc1cnc(N2CC[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC000075061424 342307536 /nfs/dbraw/zinc/30/75/36/342307536.db2.gz VTYDODXOXKOZPZ-NEPJUHHUSA-N 0 3 276.340 1.971 20 5 CDBDHN CCN(CCC[NH+](C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596206263 343265556 /nfs/dbraw/zinc/26/55/56/343265556.db2.gz REKMCKFXASRXLX-UHFFFAOYSA-N 0 3 268.317 1.473 20 5 CDBDHN O=c1[n-]ccc(NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000596215326 343268547 /nfs/dbraw/zinc/26/85/47/343268547.db2.gz AERZPMQATYICCE-UHFFFAOYSA-N 0 3 278.312 1.736 20 5 CDBDHN C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H](C)N1 ZINC000599103691 343955051 /nfs/dbraw/zinc/95/50/51/343955051.db2.gz JGEYMLWEVRWJCA-AOOOYVTPSA-N 0 3 287.323 1.725 20 5 CDBDHN CN(C)CCc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224346 344738201 /nfs/dbraw/zinc/73/82/01/344738201.db2.gz PRSGAKZGXFRQRL-UHFFFAOYSA-N 0 3 293.302 1.478 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC000602997556 344683942 /nfs/dbraw/zinc/68/39/42/344683942.db2.gz MONMQLOKTNVKBP-IHRRRGAJSA-N 0 3 294.355 1.417 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](O)[C@@H]3CCCC[C@@H]32)n1 ZINC000602998179 344684196 /nfs/dbraw/zinc/68/41/96/344684196.db2.gz YRWUDUPPCVNPRA-AGIUHOORSA-N 0 3 294.355 1.417 20 5 CDBDHN CCN(CC)CCn1cc([N+](=O)[O-])cc(OC)c1=O ZINC000603360415 344783690 /nfs/dbraw/zinc/78/36/90/344783690.db2.gz ZMCYIBBZVSZLGX-UHFFFAOYSA-N 0 3 269.301 1.107 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](O)CC2)c1 ZINC000293133881 362532007 /nfs/dbraw/zinc/53/20/07/362532007.db2.gz NBJRBJOZYNHTNN-KGLIPLIRSA-N 0 3 280.324 1.475 20 5 CDBDHN NC(=O)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051200218 345092652 /nfs/dbraw/zinc/09/26/52/345092652.db2.gz DPJMATNMHUSXKC-UHFFFAOYSA-N 0 3 293.323 1.171 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN(CCCO)C1CC1 ZINC000609848157 346006355 /nfs/dbraw/zinc/00/63/55/346006355.db2.gz CZNCVUHSIYJNCO-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCc1ccccn1 ZINC000610659985 346335211 /nfs/dbraw/zinc/33/52/11/346335211.db2.gz JPDGAAWJYKGBQE-UHFFFAOYSA-N 0 3 289.339 1.669 20 5 CDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)CN1 ZINC000086468165 179298954 /nfs/dbraw/zinc/29/89/54/179298954.db2.gz MIMCCLWJKDYJST-RKDXNWHRSA-N 0 3 281.287 1.556 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(CCC(C)(C)C)CC1 ZINC000054838767 349417567 /nfs/dbraw/zinc/41/75/67/349417567.db2.gz KERXDRORWXFJLX-UHFFFAOYSA-N 0 3 295.387 1.887 20 5 CDBDHN C[C@@H](NC(=O)C[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000091300475 180127926 /nfs/dbraw/zinc/12/79/26/180127926.db2.gz WBZWTMIDLNTYJI-MFKMUULPSA-N 0 3 293.323 1.151 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000109849868 186277723 /nfs/dbraw/zinc/27/77/23/186277723.db2.gz DQRLTWKLDXEOOQ-SNVBAGLBSA-N 0 3 263.297 1.276 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000079767918 350966753 /nfs/dbraw/zinc/96/67/53/350966753.db2.gz RVRQEXIVVPDJSJ-CQSZACIVSA-N 0 3 280.324 1.676 20 5 CDBDHN CN(C)CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000291376581 198004267 /nfs/dbraw/zinc/00/42/67/198004267.db2.gz RCYFAXTUHAYOEZ-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN CC1CCN(CCn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000154246456 188131919 /nfs/dbraw/zinc/13/19/19/188131919.db2.gz MSKKZBINTAZJQZ-UHFFFAOYSA-N 0 3 265.313 1.488 20 5 CDBDHN C[C@@H]1CCSCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286332162 356255530 /nfs/dbraw/zinc/25/55/30/356255530.db2.gz XBLDZSQCWXHUPN-LLVKDONJSA-N 0 3 297.380 1.584 20 5 CDBDHN C[C@@H](CN(C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286365461 356269552 /nfs/dbraw/zinc/26/95/52/356269552.db2.gz JQMDIQGCFXNLED-ZETCQYMHSA-N 0 3 281.341 1.962 20 5 CDBDHN CCCN(C)CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000358558900 356307158 /nfs/dbraw/zinc/30/71/58/356307158.db2.gz YPKQGFANWIFOBF-UHFFFAOYSA-N 0 3 294.355 1.465 20 5 CDBDHN CC[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])N(C)C ZINC000359133708 356364820 /nfs/dbraw/zinc/36/48/20/356364820.db2.gz AIPUSXQYDGQLDV-ZDUSSCGKSA-N 0 3 293.367 1.936 20 5 CDBDHN CC(C)[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810227 356539375 /nfs/dbraw/zinc/53/93/75/356539375.db2.gz JTLABKAEROGQGN-LBPRGKRZSA-N 0 3 265.313 1.537 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)[C@@H]2CCCO2)cc1 ZINC000447913691 356927809 /nfs/dbraw/zinc/92/78/09/356927809.db2.gz JMHQOOHQVQHNQV-OLZOCXBDSA-N 0 3 266.297 1.224 20 5 CDBDHN COc1ccc(CN[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000120208580 357326820 /nfs/dbraw/zinc/32/68/20/357326820.db2.gz KVERULIPBIDQAC-CYBMUJFWSA-N 0 3 266.297 1.872 20 5 CDBDHN CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)N(C)C ZINC000360526016 357359788 /nfs/dbraw/zinc/35/97/88/357359788.db2.gz CVLFMFXSIPJDEK-GFCCVEGCSA-N 0 3 279.340 1.860 20 5 CDBDHN CCCc1n[nH]c(C(=O)NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000264667383 357925002 /nfs/dbraw/zinc/92/50/02/357925002.db2.gz KLNBDSBTTGLTPL-UHFFFAOYSA-N 0 3 295.343 1.094 20 5 CDBDHN C[C@@H](CO)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439931 358876367 /nfs/dbraw/zinc/87/63/67/358876367.db2.gz CAARRLLPAOEDGY-MRVPVSSYSA-N 0 3 258.705 1.966 20 5 CDBDHN CN(C)CCO[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342639543 359302898 /nfs/dbraw/zinc/30/28/98/359302898.db2.gz UHLMQILMKZPGCM-NSHDSACASA-N 0 3 297.330 1.891 20 5 CDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)NC1CC1 ZINC000297306808 200142578 /nfs/dbraw/zinc/14/25/78/200142578.db2.gz BPKJWALKABXOQD-NSHDSACASA-N 0 3 291.351 1.784 20 5 CDBDHN Cc1ccc(NC(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000298421439 200424486 /nfs/dbraw/zinc/42/44/86/200424486.db2.gz VOODFGLAMVLRPS-SNVBAGLBSA-N 0 3 280.328 1.975 20 5 CDBDHN CCc1ccc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000176383956 360262030 /nfs/dbraw/zinc/26/20/30/360262030.db2.gz NBEDXEDBGSPKKV-UHFFFAOYSA-N 0 3 279.340 1.791 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000177176330 189033955 /nfs/dbraw/zinc/03/39/55/189033955.db2.gz WWXQDJPPHQQPAR-MNOVXSKESA-N 0 3 289.335 1.950 20 5 CDBDHN Cc1c([C@@H](C)NC[C@H](O)CN(C)C)cccc1[N+](=O)[O-] ZINC000154310163 360337821 /nfs/dbraw/zinc/33/78/21/360337821.db2.gz YZIPYLNCVBQTDV-NEPJUHHUSA-N 0 3 281.356 1.476 20 5 CDBDHN C[C@@H](O)C[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179086081 189168142 /nfs/dbraw/zinc/16/81/42/189168142.db2.gz RFCVOWRCFNWOBR-ZLDLUXBVSA-N 0 3 294.351 1.864 20 5 CDBDHN Cc1ccc(C(=O)NC[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000049096728 361459065 /nfs/dbraw/zinc/45/90/65/361459065.db2.gz VAPUDDROGYIMQX-GFCCVEGCSA-N 0 3 277.324 1.727 20 5 CDBDHN C[C@H](O)C[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000305236116 239388853 /nfs/dbraw/zinc/38/88/53/239388853.db2.gz XHEGUUQJKPEKTA-WDEREUQCSA-N 0 3 268.317 1.027 20 5 CDBDHN C[C@H](NC1CC1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000295933405 370773163 /nfs/dbraw/zinc/77/31/63/370773163.db2.gz ATORPASCXVEJBC-VIFPVBQESA-N 0 3 275.308 1.624 20 5 CDBDHN CC(C)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349315 364777747 /nfs/dbraw/zinc/77/77/47/364777747.db2.gz DUCXPBVJBGSQMW-UHFFFAOYSA-N 0 3 291.351 1.820 20 5 CDBDHN CC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270903529 366942450 /nfs/dbraw/zinc/94/24/50/366942450.db2.gz MWOJFFRVXBAKEO-FZMZJTMJSA-N 0 3 280.324 1.676 20 5 CDBDHN CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000271078775 366966782 /nfs/dbraw/zinc/96/67/82/366966782.db2.gz XVXNZYFMPZGLIO-AWEZNQCLSA-N 0 3 293.367 1.654 20 5 CDBDHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000090526314 367569206 /nfs/dbraw/zinc/56/92/06/367569206.db2.gz VMXVRIYTWVAOEC-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000272471894 367738925 /nfs/dbraw/zinc/73/89/25/367738925.db2.gz ABHGYYFPJWGENV-MNOVXSKESA-N 0 3 292.339 1.216 20 5 CDBDHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000121710152 368261043 /nfs/dbraw/zinc/26/10/43/368261043.db2.gz ZJWIVOUYQFWDOF-UHFFFAOYSA-N 0 3 255.249 1.025 20 5 CDBDHN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN[C@H](C)C1 ZINC000420342667 244113954 /nfs/dbraw/zinc/11/39/54/244113954.db2.gz XSHVHWNDSWIDAM-MNOVXSKESA-N 0 3 292.339 1.216 20 5 CDBDHN C[C@H](NC[C@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880543 203347409 /nfs/dbraw/zinc/34/74/09/203347409.db2.gz NCKRDGUDIFNKJJ-SMDDNHRTSA-N 0 3 279.340 1.312 20 5 CDBDHN CN1CCNC[C@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414971842 371128861 /nfs/dbraw/zinc/12/88/61/371128861.db2.gz WXDVRRHDOKNZFC-KXQLTZBTSA-N 0 3 290.367 1.101 20 5 CDBDHN NC(=O)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000367992586 371297144 /nfs/dbraw/zinc/29/71/44/371297144.db2.gz DNKTWYYRIWBADL-NSHDSACASA-N 0 3 263.297 1.292 20 5 CDBDHN Nc1nc(NC2CCN(C3CCC3)CC2)ncc1[N+](=O)[O-] ZINC000296018904 371544188 /nfs/dbraw/zinc/54/41/88/371544188.db2.gz OCEJYFLSWBOBHU-UHFFFAOYSA-N 0 3 292.343 1.396 20 5 CDBDHN Cc1c(CC(=O)NCCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000269603765 373093113 /nfs/dbraw/zinc/09/31/13/373093113.db2.gz IEXFCSWRDLCIDR-UHFFFAOYSA-N 0 3 291.351 1.656 20 5 CDBDHN CCN1CCN(CCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000298403959 373516805 /nfs/dbraw/zinc/51/68/05/373516805.db2.gz KDMWBOIBNNIRFC-UHFFFAOYSA-N 0 3 293.371 1.429 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCOCCO)CCCC2 ZINC000417323724 374244908 /nfs/dbraw/zinc/24/49/08/374244908.db2.gz OXQMVEYXYDKOSV-OAHLLOKOSA-N 0 3 294.351 1.961 20 5 CDBDHN C[S@@](=O)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000116919337 374491375 /nfs/dbraw/zinc/49/13/75/374491375.db2.gz IHQKCDXZQXMYLJ-KRWDZBQOSA-N 0 3 256.327 1.453 20 5 CDBDHN C[C@@H](O)C[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000447840943 374717958 /nfs/dbraw/zinc/71/79/58/374717958.db2.gz VOCINVCSDAOKLO-NEPJUHHUSA-N 0 3 282.344 1.417 20 5 CDBDHN Cc1ccc(NC(=O)[C@@H]2CCCCN2)cc1[N+](=O)[O-] ZINC000019503877 374742869 /nfs/dbraw/zinc/74/28/69/374742869.db2.gz NKUQXLUCXKVPRF-NSHDSACASA-N 0 3 263.297 1.984 20 5 CDBDHN C[C@@H](CCN1CCOCC1)NCc1csc([N+](=O)[O-])c1 ZINC000124211324 374770861 /nfs/dbraw/zinc/77/08/61/374770861.db2.gz QPQARWIRTXYFJH-NSHDSACASA-N 0 3 299.396 1.857 20 5 CDBDHN C[C@]1(C(N)=O)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000280226823 374987773 /nfs/dbraw/zinc/98/77/73/374987773.db2.gz JMJGYAJPGSLWNG-DRDHIDPGSA-N 0 3 289.335 1.805 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000305162820 375563012 /nfs/dbraw/zinc/56/30/12/375563012.db2.gz XLIPCNMVONFRTM-AAEUAGOBSA-N 0 3 281.356 1.476 20 5 CDBDHN C[C@@H]1CCC[C@H](CO)N1CCn1cc([N+](=O)[O-])cn1 ZINC000305193705 375568297 /nfs/dbraw/zinc/56/82/97/375568297.db2.gz DHNMZJKKMRTHJD-GHMZBOCLSA-N 0 3 268.317 1.027 20 5 CDBDHN Cc1ccc(CNC[C@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000227975854 375658965 /nfs/dbraw/zinc/65/89/65/375658965.db2.gz FJHPAOHWAWTMFN-BXUZGUMPSA-N 0 3 280.324 1.533 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345008481 375711978 /nfs/dbraw/zinc/71/19/78/375711978.db2.gz ZHUIVVCBQSTPFG-JTQLQIEISA-N 0 3 280.328 1.147 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000267054392 376627490 /nfs/dbraw/zinc/62/74/90/376627490.db2.gz RILPVUXVDNDGJJ-AWEZNQCLSA-N 0 3 290.323 1.457 20 5 CDBDHN O=C1CCC[C@@H](CNCc2cccc([N+](=O)[O-])c2)N1 ZINC000433188708 248004837 /nfs/dbraw/zinc/00/48/37/248004837.db2.gz CSALHVHTBLRQTE-NSHDSACASA-N 0 3 263.297 1.353 20 5 CDBDHN COc1cccc(CN(C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000267094798 377212806 /nfs/dbraw/zinc/21/28/06/377212806.db2.gz RIAQPYZONBNUHG-UHFFFAOYSA-N 0 3 290.323 1.932 20 5 CDBDHN COc1cc(C[NH2+]CCC2(CO)CC2)c([N+](=O)[O-])cc1[O-] ZINC000449580860 250914465 /nfs/dbraw/zinc/91/44/65/250914465.db2.gz UZTWKBPZITXLMO-UHFFFAOYSA-N 0 3 296.323 1.561 20 5 CDBDHN Cc1nc(N(C)[C@@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450333275 251227906 /nfs/dbraw/zinc/22/79/06/251227906.db2.gz GGLWWGWPAHSCIW-LLVKDONJSA-N 0 3 277.328 1.366 20 5 CDBDHN Cc1nc(N[C@H]2CCCN(C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000450435725 251282056 /nfs/dbraw/zinc/28/20/56/251282056.db2.gz IDSXQOUFLKRVNY-UWVGGRQHSA-N 0 3 265.317 1.588 20 5 CDBDHN O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CCCN1CCCO ZINC000450599531 251359704 /nfs/dbraw/zinc/35/97/04/251359704.db2.gz SLYBAFNIGMGUGB-NSHDSACASA-N 0 3 297.330 1.993 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286357821 390198831 /nfs/dbraw/zinc/19/88/31/390198831.db2.gz XZNQHFKVUSVPMA-CKYFFXLPSA-N 0 3 277.324 1.709 20 5 CDBDHN Cc1nc(N(C)[C@@H]2CCN(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000450959215 390583015 /nfs/dbraw/zinc/58/30/15/390583015.db2.gz XVZXISVOUFHXPP-LLVKDONJSA-N 0 3 279.344 1.612 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC1(C)C ZINC000489488192 391225112 /nfs/dbraw/zinc/22/51/12/391225112.db2.gz UEFXFQUXSKMKHX-LLVKDONJSA-N 0 3 265.313 1.487 20 5 CDBDHN CC[C@@]1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495200008 391906421 /nfs/dbraw/zinc/90/64/21/391906421.db2.gz HITOJMFGEWNVMN-CQSZACIVSA-N 0 3 280.324 1.820 20 5 CDBDHN CC(COC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496469881 391921858 /nfs/dbraw/zinc/92/18/58/391921858.db2.gz NDGCJKVRWDRGDW-DTWKUNHWSA-N 0 3 290.316 1.356 20 5 CDBDHN C[C@H]1NCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262759736 131259732 /nfs/dbraw/zinc/25/97/32/131259732.db2.gz IHIHULSKXXWFLS-NEPJUHHUSA-N 0 3 291.351 1.736 20 5 CDBDHN C[C@H](NC[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459395419 392430714 /nfs/dbraw/zinc/43/07/14/392430714.db2.gz PJIBOZVGJPRRDM-CMPLNLGQSA-N 0 3 277.324 1.772 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCN(C)CC2)n1 ZINC000268866487 132079657 /nfs/dbraw/zinc/07/96/57/132079657.db2.gz CLPAKNATZDPVRH-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN CC(C)[C@H]1N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000431123636 393107108 /nfs/dbraw/zinc/10/71/08/393107108.db2.gz ZJXDYFABZCFQHZ-CHWSQXEVSA-N 0 3 296.371 1.519 20 5 CDBDHN CCN(CCOCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000282016172 393166836 /nfs/dbraw/zinc/16/68/36/393166836.db2.gz KARBPWKHRHTHPE-UHFFFAOYSA-N 0 3 268.313 1.426 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449158391 393131681 /nfs/dbraw/zinc/13/16/81/393131681.db2.gz YOYRDFLFWJQENM-SNVBAGLBSA-N 0 3 289.335 1.620 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)[C@H]1CCCO1 ZINC000449295375 393134272 /nfs/dbraw/zinc/13/42/72/393134272.db2.gz RTVLIAUODPFKCK-OSAQELSMSA-N 0 3 294.351 1.655 20 5 CDBDHN Cc1c(CNC(=O)[C@@H]2C[C@H](C)CCN2)cccc1[N+](=O)[O-] ZINC000231856055 140219880 /nfs/dbraw/zinc/21/98/80/140219880.db2.gz FYDLMXPOUORDEG-MFKMUULPSA-N 0 3 291.351 1.908 20 5 CDBDHN COc1cc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000344041516 152399813 /nfs/dbraw/zinc/39/98/13/152399813.db2.gz WBNSDNNKDMTSAT-OUCADQQQSA-N 0 3 292.335 1.806 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000346160222 153076930 /nfs/dbraw/zinc/07/69/30/153076930.db2.gz FDWUPZKMOFRCPN-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000355481206 157074650 /nfs/dbraw/zinc/07/46/50/157074650.db2.gz SUQNRSNHGGMNII-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN COC[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020557032 171250370 /nfs/dbraw/zinc/25/03/70/171250370.db2.gz XVNZDTJAXCYFMC-SECBINFHSA-N 0 3 254.286 1.728 20 5 CDBDHN CC[C@@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285029427 196181478 /nfs/dbraw/zinc/18/14/78/196181478.db2.gz HQMKUTJDGCHDIJ-SCZZXKLOSA-N 0 3 253.302 1.599 20 5 CDBDHN COCC[C@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285310305 196247291 /nfs/dbraw/zinc/24/72/91/196247291.db2.gz SMRONJMDSYCXPZ-GXSJLCMTSA-N 0 3 283.328 1.225 20 5 CDBDHN CCNCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044649646 175224383 /nfs/dbraw/zinc/22/43/83/175224383.db2.gz UVPIGCCSWQKRGO-VIFPVBQESA-N 0 3 251.286 1.382 20 5 CDBDHN CNC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044988685 175285636 /nfs/dbraw/zinc/28/56/36/175285636.db2.gz JFPOQPPUYYQHHG-VIFPVBQESA-N 0 3 251.286 1.382 20 5 CDBDHN C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN1 ZINC000235384706 274361629 /nfs/dbraw/zinc/36/16/29/274361629.db2.gz VNQGPGHHTPCDOR-SSDOTTSWSA-N 0 3 290.245 1.807 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000269382163 276041341 /nfs/dbraw/zinc/04/13/41/276041341.db2.gz PHDRTJMGULTQPT-SECBINFHSA-N 0 3 295.343 1.123 20 5 CDBDHN CN(C)C1CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000270707548 276775482 /nfs/dbraw/zinc/77/54/82/276775482.db2.gz CIDWYUKWTMUJCW-UHFFFAOYSA-N 0 3 256.693 1.393 20 5 CDBDHN CSCC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000131177126 279666695 /nfs/dbraw/zinc/66/66/95/279666695.db2.gz DCGJNAWGHMTULG-LLVKDONJSA-N 0 3 283.353 1.291 20 5 CDBDHN C[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)CN1 ZINC000261628839 279894012 /nfs/dbraw/zinc/89/40/12/279894012.db2.gz AYUWNWLVOHCFRZ-YUMQZZPRSA-N 0 3 293.352 1.786 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(F)CCNC1 ZINC000377150644 281018953 /nfs/dbraw/zinc/01/89/53/281018953.db2.gz HODZYJOCYFRRHR-LBPRGKRZSA-N 0 3 267.260 1.543 20 5 CDBDHN CC(C)OC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000530686061 281577615 /nfs/dbraw/zinc/57/76/15/281577615.db2.gz FIZWNJBLUJUMFT-UHFFFAOYSA-N 0 3 282.344 1.681 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCCC1(C)C ZINC000331134809 294458290 /nfs/dbraw/zinc/45/82/90/294458290.db2.gz CEUBNQRJUUVQPJ-SNVBAGLBSA-N 0 3 252.318 1.997 20 5 CDBDHN CN1CC[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])C[C@@H]21 ZINC000576464579 317143623 /nfs/dbraw/zinc/14/36/23/317143623.db2.gz KNDVBLAUZDXSRL-BDAKNGLRSA-N 0 3 293.352 1.444 20 5 CDBDHN CN[C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000580345757 324443672 /nfs/dbraw/zinc/44/36/72/324443672.db2.gz RXFBMJSJAVWMOG-JTQLQIEISA-N 0 3 277.324 1.694 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1COCCO1 ZINC000338715468 527397688 /nfs/dbraw/zinc/39/76/88/527397688.db2.gz GOGNJMMCDBRIII-HSBHDXMMSA-N 0 3 278.308 1.613 20 5 CDBDHN CN1CCC(ONC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000773540235 575821685 /nfs/dbraw/zinc/82/16/85/575821685.db2.gz GKJMJVIJEMZNLK-UHFFFAOYSA-N 0 3 285.325 1.412 20 5 CDBDHN C[C@@H]1CCCN1CCNc1ncc([N+](=O)[O-])cn1 ZINC000760552828 576493021 /nfs/dbraw/zinc/49/30/21/576493021.db2.gz ROXFVZSOVQEDHD-SECBINFHSA-N 0 3 251.290 1.281 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000744800870 576698167 /nfs/dbraw/zinc/69/81/67/576698167.db2.gz ZPUUBGHGDMWOGN-JTQLQIEISA-N 0 3 292.339 1.249 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000744800871 576698241 /nfs/dbraw/zinc/69/82/41/576698241.db2.gz ZPUUBGHGDMWOGN-SNVBAGLBSA-N 0 3 292.339 1.249 20 5 CDBDHN COc1c(O)ccc(CN(C)C[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000892180423 617533160 /nfs/dbraw/zinc/53/31/60/617533160.db2.gz PIMKTZQTZFYUMM-JTQLQIEISA-N 0 3 296.323 1.777 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000934045330 617868123 /nfs/dbraw/zinc/86/81/23/617868123.db2.gz MGFZIYVPZDWZRM-DGCLKSJQSA-N 0 3 296.323 1.367 20 5 CDBDHN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NCC[N+](=O)[O-] ZINC000905104829 626621757 /nfs/dbraw/zinc/62/17/57/626621757.db2.gz HRRZUBOASYRDCK-LLVKDONJSA-N 0 3 289.376 1.792 20 5 CDBDHN C[C@@H](O)[C@@](C)(CNCC[N+](=O)[O-])Cc1ccccc1 ZINC000905366033 626785346 /nfs/dbraw/zinc/78/53/46/626785346.db2.gz SCVWGDJELLLTFB-TZMCWYRMSA-N 0 3 266.341 1.483 20 5 CDBDHN O=[N+]([O-])CCNC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000905376354 626792141 /nfs/dbraw/zinc/79/21/41/626792141.db2.gz TXFGDWOYNJIXAN-CHWSQXEVSA-N 0 3 250.298 1.019 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CNC/C=C/Cl)cc1 ZINC000905706099 626933595 /nfs/dbraw/zinc/93/35/95/626933595.db2.gz DWSWJDSJQCKWIE-QNPGQNDZSA-N 0 3 256.689 1.970 20 5 CDBDHN CCNC(=O)CN[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297987 1162328732 /nfs/dbraw/zinc/32/87/32/1162328732.db2.gz XRRULZOOSKGKRJ-SNVBAGLBSA-N 0 3 295.339 1.260 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CCO)C2CC2)c([N+](=O)[O-])c1 ZINC000792877786 1162374234 /nfs/dbraw/zinc/37/42/34/1162374234.db2.gz PGLQAPKPANWLIB-LBPRGKRZSA-N 0 3 295.295 1.754 20 5 CDBDHN CC(COC(=O)c1cc2nccnc2cc1F)[N+](=O)[O-] ZINC000813114598 1163817695 /nfs/dbraw/zinc/81/76/95/1163817695.db2.gz DJUCCQMBHXKNPK-ZETCQYMHSA-N 0 3 279.227 1.591 20 5 CDBDHN CC[C@@]1(O)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313726 1166332147 /nfs/dbraw/zinc/33/21/47/1166332147.db2.gz OFPWFLNMXHILJE-HUUCEWRRSA-N 0 3 294.351 1.865 20 5 CDBDHN CC(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813110231 1163816803 /nfs/dbraw/zinc/81/68/03/1163816803.db2.gz VGNBKVNSTXWTLX-ILFKPUCNSA-N 0 3 280.236 1.816 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000794578323 784339662 /nfs/dbraw/zinc/33/96/62/784339662.db2.gz YBSSDGPPTLFJAU-ZYHUDNBSSA-N 0 3 295.314 1.738 20 5 CDBDHN CC(COC(=O)[C@]1(C)COc2ccccc2O1)[N+](=O)[O-] ZINC000860777027 784643726 /nfs/dbraw/zinc/64/37/26/784643726.db2.gz JHNGULROHCSUAB-ZANVPECISA-N 0 3 281.264 1.425 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NCCN(C)CCOCCO ZINC000882951509 784827487 /nfs/dbraw/zinc/82/74/87/784827487.db2.gz ILZKWHUVOYATLD-UHFFFAOYSA-N 0 3 297.355 1.256 20 5 CDBDHN CC(COC(=O)[C@@H]1CCO[C@H]1c1ccncc1)[N+](=O)[O-] ZINC000845575039 785034837 /nfs/dbraw/zinc/03/48/37/785034837.db2.gz FQBKSRGYMUAHIZ-JLLWLGSASA-N 0 3 280.280 1.368 20 5 CDBDHN CC[C@H](N)c1cn(Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000714048381 785902085 /nfs/dbraw/zinc/90/20/85/785902085.db2.gz JIADAFAYPXQUKX-NSHDSACASA-N 0 3 275.312 1.953 20 5 CDBDHN C[C@H](NCCN1CCOC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000830161065 786244113 /nfs/dbraw/zinc/24/41/13/786244113.db2.gz LHAWKMOSSIMOQK-JTQLQIEISA-N 0 3 279.296 1.698 20 5 CDBDHN CON(C)CCNCc1cccc([N+](=O)[O-])c1C ZINC000883170869 786254072 /nfs/dbraw/zinc/25/40/72/786254072.db2.gz HATMUJAYUOTFKA-UHFFFAOYSA-N 0 3 253.302 1.486 20 5 CDBDHN CCc1c[nH]c(=O)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000851037527 786813357 /nfs/dbraw/zinc/81/33/57/786813357.db2.gz VRGPCWAAMGKBDC-ZETCQYMHSA-N 0 3 254.242 1.172 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1-c1ccoc1)[N+](=O)[O-] ZINC000813108058 787820602 /nfs/dbraw/zinc/82/06/02/787820602.db2.gz USPBIBMRELGWRY-QMMMGPOBSA-N 0 3 279.252 1.502 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCS(=O)CC1 ZINC000158175070 788379498 /nfs/dbraw/zinc/37/94/98/788379498.db2.gz LNTMMIZNKPPBCZ-UHFFFAOYSA-N 0 3 298.364 1.604 20 5 CDBDHN Cc1oc(-c2cnn(C)c2)nc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109889 788838689 /nfs/dbraw/zinc/83/86/89/788838689.db2.gz XGMPDAGUJIPMHN-SSDOTTSWSA-N 0 3 294.267 1.206 20 5 CDBDHN COCCN1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881846973 788968132 /nfs/dbraw/zinc/96/81/32/788968132.db2.gz UMWZMMQHFYIZFH-UHFFFAOYSA-N 0 3 298.318 1.652 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)CCCC(=O)N2)[N+](=O)[O-] ZINC000813114624 789840534 /nfs/dbraw/zinc/84/05/34/789840534.db2.gz UQFYKEHIHNROGU-VIFPVBQESA-N 0 3 292.291 1.783 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H]1COC(=O)C1 ZINC001173234317 912329061 /nfs/dbraw/zinc/32/90/61/912329061.db2.gz OEKWWJAELCPSEC-MWLCHTKSSA-N 0 3 264.281 1.431 20 5 CDBDHN Cc1c(-n2cnc(CN)c2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162302247 922211986 /nfs/dbraw/zinc/21/19/86/922211986.db2.gz NGUBYHCGHIYFSP-UHFFFAOYSA-N 0 3 277.240 1.456 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2cc3ccccn3n2)C1 ZINC001169001650 927606517 /nfs/dbraw/zinc/60/65/17/927606517.db2.gz HDZUWJXBLDDONW-NWDGAFQWSA-N 0 3 274.324 1.869 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CC(c3cccnc3)C2)C1 ZINC001169040141 927653447 /nfs/dbraw/zinc/65/34/47/927653447.db2.gz YFPADRQLOGUODS-SMDDNHRTSA-N 0 3 261.325 1.926 20 5 CDBDHN COc1cc([N+](=O)[O-])cnc1-n1ccc([C@H](C)N)n1 ZINC001169228005 927826816 /nfs/dbraw/zinc/82/68/16/927826816.db2.gz KCMDTMYNRXRLKT-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN NCc1cnnn1-c1cc([N+](=O)[O-])ccc1Cl ZINC001169310241 927946125 /nfs/dbraw/zinc/94/61/25/927946125.db2.gz RNHRGPKDXKALPA-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN CC/C=C\CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835660 929479164 /nfs/dbraw/zinc/47/91/64/929479164.db2.gz IJZMYTQSEANUOG-FGTRRKKMSA-N 0 3 281.356 1.152 20 5 CDBDHN CC(=O)NCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881430 931917811 /nfs/dbraw/zinc/91/78/11/931917811.db2.gz ZOYMKGONLPLSFM-SDBXPKJASA-N 0 3 298.270 1.211 20 5 CDBDHN NCc1ccnn1-c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001155124679 937638240 /nfs/dbraw/zinc/63/82/40/937638240.db2.gz CRJACXKKAXIAHQ-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CCN1C[C@H](C)N(c2nnc([C@H](C)[N+](=O)[O-])n2C)C[C@@H]1C ZINC001121298554 937866385 /nfs/dbraw/zinc/86/63/85/937866385.db2.gz ZIAUBABBGJJHMC-DCAQKATOSA-N 0 3 296.375 1.072 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cnc1N1CCNC2(CC2)C1 ZINC001158933363 938680446 /nfs/dbraw/zinc/68/04/46/938680446.db2.gz MUDNVZBABDWNHO-UHFFFAOYSA-N 0 3 268.704 1.585 20 5 CDBDHN CN1CCC[C@](C)(Nc2cc([N+](=O)[O-])ccn2)C1 ZINC001162331488 939026175 /nfs/dbraw/zinc/02/61/75/939026175.db2.gz QVBWRRFXPXVLJY-LBPRGKRZSA-N 0 3 250.302 1.886 20 5 CDBDHN CCOc1cc(-n2nccc2CN)ccc1[N+](=O)[O-] ZINC001162596969 939099361 /nfs/dbraw/zinc/09/93/61/939099361.db2.gz HQXWYGSFIOJWCO-UHFFFAOYSA-N 0 3 262.269 1.638 20 5 CDBDHN CCCn1ccnc1CCCN(C)CC[N+](=O)[O-] ZINC001332989892 958000452 /nfs/dbraw/zinc/00/04/52/958000452.db2.gz DJJHSYYWTIUEQX-UHFFFAOYSA-N 0 3 254.334 1.434 20 5 CDBDHN CN(C)C1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601135929 342476370 /nfs/dbraw/zinc/47/63/70/342476370.db2.gz MEHUZEPCYREYCA-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN CN1C[C@@H]2CCCN(c3ncc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000601179065 342488016 /nfs/dbraw/zinc/48/80/16/342488016.db2.gz KKNJBROBXVWFMH-JOYOIKCWSA-N 0 3 280.303 1.659 20 5 CDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CNCCC1(F)F ZINC000591672749 342641463 /nfs/dbraw/zinc/64/14/63/342641463.db2.gz IVPBZWOUTOSJIJ-JTQLQIEISA-N 0 3 285.250 1.778 20 5 CDBDHN CC(C)Oc1nc(NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000594543961 342915782 /nfs/dbraw/zinc/91/57/82/342915782.db2.gz QWOWOXWFXOOPKP-SNVBAGLBSA-N 0 3 282.344 1.561 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)C(N)=O ZINC000595024561 342996679 /nfs/dbraw/zinc/99/66/79/342996679.db2.gz AKPRVFLAQGRHHM-SECBINFHSA-N 0 3 295.339 1.766 20 5 CDBDHN Cc1noc(CN2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595296630 343027243 /nfs/dbraw/zinc/02/72/43/343027243.db2.gz LVRYDLRRPRUALK-GFCCVEGCSA-N 0 3 294.355 1.951 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000075956512 342316583 /nfs/dbraw/zinc/31/65/83/342316583.db2.gz NVKGHFGSUDOYKY-SECBINFHSA-N 0 3 266.301 1.089 20 5 CDBDHN Cc1noc(CN2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595480907 343065138 /nfs/dbraw/zinc/06/51/38/343065138.db2.gz ASODQDUDYLFMEY-JQWIXIFHSA-N 0 3 294.355 1.950 20 5 CDBDHN C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1CCO ZINC000595706018 343127615 /nfs/dbraw/zinc/12/76/15/343127615.db2.gz WPCLWWNECZCVKN-NWDGAFQWSA-N 0 3 282.344 1.274 20 5 CDBDHN CC[N@@H+]1CCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596049147 343218311 /nfs/dbraw/zinc/21/83/11/343218311.db2.gz FAMUKJTYOIRETR-VIFPVBQESA-N 0 3 266.301 1.592 20 5 CDBDHN CC[N@H+]1CCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596049147 343218313 /nfs/dbraw/zinc/21/83/13/343218313.db2.gz FAMUKJTYOIRETR-VIFPVBQESA-N 0 3 266.301 1.592 20 5 CDBDHN O=c1[n-]ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596082931 343220429 /nfs/dbraw/zinc/22/04/29/343220429.db2.gz PZSMBEORSVYFKE-LLVKDONJSA-N 0 3 292.339 1.760 20 5 CDBDHN CC[C@@H](C)[N@H+](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596103056 343227822 /nfs/dbraw/zinc/22/78/22/343227822.db2.gz BIRWXHCVLSNFAY-SECBINFHSA-N 0 3 268.317 1.838 20 5 CDBDHN CC[C@@H](C)[N@@H+](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596103056 343227823 /nfs/dbraw/zinc/22/78/23/343227823.db2.gz BIRWXHCVLSNFAY-SECBINFHSA-N 0 3 268.317 1.838 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596129446 343238156 /nfs/dbraw/zinc/23/81/56/343238156.db2.gz PZPMWWZJDJGECV-SNVBAGLBSA-N 0 3 279.344 1.350 20 5 CDBDHN CC(C)[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1C ZINC000596205372 343265304 /nfs/dbraw/zinc/26/53/04/343265304.db2.gz IUWWRGXWLDYBBL-NSHDSACASA-N 0 3 279.344 1.348 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000598341582 343770350 /nfs/dbraw/zinc/77/03/50/343770350.db2.gz CVYSMLCTIHLFQA-SNVBAGLBSA-N 0 3 292.339 1.391 20 5 CDBDHN CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000252773059 344078718 /nfs/dbraw/zinc/07/87/18/344078718.db2.gz JFMFWNFROJRSJG-MGPQQGTHSA-N 0 3 280.324 1.877 20 5 CDBDHN COc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000402056327 344158542 /nfs/dbraw/zinc/15/85/42/344158542.db2.gz RLLKDIODHXRWPV-GXSJLCMTSA-N 0 3 266.297 1.870 20 5 CDBDHN CCN[C@@H](C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000602437662 344416540 /nfs/dbraw/zinc/41/65/40/344416540.db2.gz ISPOASPKZONUTG-JTQLQIEISA-N 0 3 280.328 1.121 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CCCCO1 ZINC000602761869 344583486 /nfs/dbraw/zinc/58/34/86/344583486.db2.gz BMERCZWFZXULIW-LBPRGKRZSA-N 0 3 282.344 1.601 20 5 CDBDHN COC(=O)C[C@@H]1CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602796900 344587358 /nfs/dbraw/zinc/58/73/58/344587358.db2.gz KFSRQAJYAJNOTL-NSHDSACASA-N 0 3 296.327 1.127 20 5 CDBDHN Cc1ccnc(N2CC[C@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000292415079 362470514 /nfs/dbraw/zinc/47/05/14/362470514.db2.gz WCEBZEBXWKZIQJ-AWEZNQCLSA-N 0 3 276.340 1.830 20 5 CDBDHN CN(C)CCc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000603222748 344749201 /nfs/dbraw/zinc/74/92/01/344749201.db2.gz CRWWRSXFMXOFRL-UHFFFAOYSA-N 0 3 293.302 1.478 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC1(C)C ZINC000088138677 346011784 /nfs/dbraw/zinc/01/17/84/346011784.db2.gz CCFCLJMOAQPEDV-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCC2)cc1 ZINC000612576173 347212401 /nfs/dbraw/zinc/21/24/01/347212401.db2.gz RXQWJIAFDVYFEB-UHFFFAOYSA-N 0 3 284.337 1.511 20 5 CDBDHN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N(C)C ZINC000045308478 348771513 /nfs/dbraw/zinc/77/15/13/348771513.db2.gz RDJVHZJFTNZWOT-JTQLQIEISA-N 0 3 282.344 1.629 20 5 CDBDHN CCN1CCN(CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000058789711 348870228 /nfs/dbraw/zinc/87/02/28/348870228.db2.gz DDDGMFVDALCFNA-UHFFFAOYSA-N 0 3 278.356 1.644 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000090848264 180044444 /nfs/dbraw/zinc/04/44/44/180044444.db2.gz ZKABKKVQQPIOJF-SMDDNHRTSA-N 0 3 280.324 1.705 20 5 CDBDHN CC[C@H](N[C@@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000090918610 180062955 /nfs/dbraw/zinc/06/29/55/180062955.db2.gz NVUFRHTUPJAZLD-CABZTGNLSA-N 0 3 265.313 1.899 20 5 CDBDHN CNC(=O)c1ccc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])c1 ZINC000108876874 186234261 /nfs/dbraw/zinc/23/42/61/186234261.db2.gz JBWAOHVUKVFWFC-SECBINFHSA-N 0 3 280.328 1.316 20 5 CDBDHN COc1ccc(CNCCNC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000133465846 187686675 /nfs/dbraw/zinc/68/66/75/187686675.db2.gz PPUKYVYZMUFOQU-UHFFFAOYSA-N 0 3 293.323 1.219 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157298538 188309274 /nfs/dbraw/zinc/30/92/74/188309274.db2.gz GINAYMCBXFNNPV-JTQLQIEISA-N 0 3 292.339 1.343 20 5 CDBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000181635813 357369637 /nfs/dbraw/zinc/36/96/37/357369637.db2.gz NXHQDVILODIFSZ-SNVBAGLBSA-N 0 3 261.285 1.537 20 5 CDBDHN COCCNCCNc1cccc(OC)c1[N+](=O)[O-] ZINC000135060440 357314586 /nfs/dbraw/zinc/31/45/86/357314586.db2.gz XTQFIDAFDBJRON-UHFFFAOYSA-N 0 3 269.301 1.251 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000286893950 358024794 /nfs/dbraw/zinc/02/47/94/358024794.db2.gz GMDCYJPLVZEGSB-ZETCQYMHSA-N 0 3 257.315 1.336 20 5 CDBDHN CCOCCN(CC)CCn1ccc([N+](=O)[O-])n1 ZINC000176236232 358749397 /nfs/dbraw/zinc/74/93/97/358749397.db2.gz FADHBWGQTDANNU-UHFFFAOYSA-N 0 3 256.306 1.150 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCC1(O)CCCC1 ZINC000096479159 358735311 /nfs/dbraw/zinc/73/53/11/358735311.db2.gz ZURYNVGCBDAPAA-UHFFFAOYSA-N 0 3 250.298 1.990 20 5 CDBDHN CCOc1cc(NCCOCCN(C)C)ccc1[N+](=O)[O-] ZINC000231207745 359252551 /nfs/dbraw/zinc/25/25/51/359252551.db2.gz ZCZIFHLKLPKMPW-UHFFFAOYSA-N 0 3 297.355 1.984 20 5 CDBDHN Cc1nc(NC[C@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000297316283 200145537 /nfs/dbraw/zinc/14/55/37/200145537.db2.gz ZJPGKMDEOCQAJT-SECBINFHSA-N 0 3 251.290 1.057 20 5 CDBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N(C)C1CC1 ZINC000176437305 360301510 /nfs/dbraw/zinc/30/15/10/360301510.db2.gz FYVYLYIKULFFKU-SECBINFHSA-N 0 3 292.339 1.390 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667402 360990647 /nfs/dbraw/zinc/99/06/47/360990647.db2.gz OWCDHKGVBHKHGW-UWVGGRQHSA-N 0 3 267.333 1.105 20 5 CDBDHN Cc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000037982680 361287698 /nfs/dbraw/zinc/28/76/98/361287698.db2.gz OKXNCEYVVGEEDG-LBPRGKRZSA-N 0 3 298.364 1.428 20 5 CDBDHN CC1(C)[C@H](NCCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000581318966 363978358 /nfs/dbraw/zinc/97/83/58/363978358.db2.gz NELNLJKSECHICV-OLZOCXBDSA-N 0 3 280.324 1.723 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199324 364443825 /nfs/dbraw/zinc/44/38/25/364443825.db2.gz OJIVUHPFYIYKLB-IINYFYTJSA-N 0 3 289.335 1.807 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000103119263 364600491 /nfs/dbraw/zinc/60/04/91/364600491.db2.gz HEYYISRCIVMNRC-UHFFFAOYSA-N 0 3 277.324 1.763 20 5 CDBDHN C[C@H](O)[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000272565688 367774880 /nfs/dbraw/zinc/77/48/80/367774880.db2.gz MHZONLVZOYMNAV-ZKYQVNSYSA-N 0 3 280.324 1.331 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCO)C2CCC2)c1 ZINC000275913097 193161801 /nfs/dbraw/zinc/16/18/01/193161801.db2.gz XUECCBZSBDSNKI-CQSZACIVSA-N 0 3 280.324 1.475 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN(CCO)C2CCC2)c1 ZINC000275920768 193164196 /nfs/dbraw/zinc/16/41/96/193164196.db2.gz ZJORIGSMCVHMCT-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCCN2C)n1 ZINC000420637378 244303022 /nfs/dbraw/zinc/30/30/22/244303022.db2.gz OLURCLPXUQSYKG-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCN1C ZINC000330892792 203359754 /nfs/dbraw/zinc/35/97/54/203359754.db2.gz DHIBQFVPSIJDHX-BDAKNGLRSA-N 0 3 267.285 1.400 20 5 CDBDHN COc1cc(C(=O)N2C[C@@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000129899379 370128347 /nfs/dbraw/zinc/12/83/47/370128347.db2.gz NBIZSVORSSCZPT-ZJUUUORDSA-N 0 3 293.323 1.426 20 5 CDBDHN CN1CCNC[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414979621 371198966 /nfs/dbraw/zinc/19/89/66/371198966.db2.gz UTQFROADAHXEFI-LBPRGKRZSA-N 0 3 298.774 1.241 20 5 CDBDHN CNC(=O)NC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000298499682 373740338 /nfs/dbraw/zinc/74/03/38/373740338.db2.gz UOSBZYFTCLYLIT-VIFPVBQESA-N 0 3 294.311 1.091 20 5 CDBDHN Cc1ccc(NCCCNC(=O)[C@@H](C)N)c([N+](=O)[O-])c1 ZINC000161541534 374218387 /nfs/dbraw/zinc/21/83/87/374218387.db2.gz MWIYEFULFPAAKT-SNVBAGLBSA-N 0 3 280.328 1.169 20 5 CDBDHN C[C@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000299003114 374293762 /nfs/dbraw/zinc/29/37/62/374293762.db2.gz MWJNDNVYALKKKP-JTQLQIEISA-N 0 3 280.328 1.385 20 5 CDBDHN C[C@@H]1C[C@H](CO)CN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952500 374308937 /nfs/dbraw/zinc/30/89/37/374308937.db2.gz XZJKGGLJQJYRMJ-OLZOCXBDSA-N 0 3 294.351 1.924 20 5 CDBDHN COc1ccc(CN[C@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447923830 374721845 /nfs/dbraw/zinc/72/18/45/374721845.db2.gz UIIUAFNQIALHJO-DGCLKSJQSA-N 0 3 296.323 1.233 20 5 CDBDHN CNC(=O)CCCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093717611 374780505 /nfs/dbraw/zinc/78/05/05/374780505.db2.gz QMRPATISZQLHIR-UHFFFAOYSA-N 0 3 279.340 1.861 20 5 CDBDHN CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000279782337 374960091 /nfs/dbraw/zinc/96/00/91/374960091.db2.gz NSXATVRGTZZHKW-CYBMUJFWSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@]1(C(N)=O)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000280355624 374991993 /nfs/dbraw/zinc/99/19/93/374991993.db2.gz UBAPEQXQLAHPHS-ZDUSSCGKSA-N 0 3 263.297 1.292 20 5 CDBDHN O=[N+]([O-])c1cc(CNCCCOCCO)cs1 ZINC000227333206 375503788 /nfs/dbraw/zinc/50/37/88/375503788.db2.gz WMLXRPXDZOLOPP-UHFFFAOYSA-N 0 3 260.315 1.145 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000305162821 375563399 /nfs/dbraw/zinc/56/33/99/375563399.db2.gz XLIPCNMVONFRTM-DGCLKSJQSA-N 0 3 281.356 1.476 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)C2CC2)cc1 ZINC000353070780 375573481 /nfs/dbraw/zinc/57/34/81/375573481.db2.gz IGUBTCRKNOXYHI-GFCCVEGCSA-N 0 3 250.298 1.703 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCNC(=O)CC1 ZINC000296513624 376322390 /nfs/dbraw/zinc/32/23/90/376322390.db2.gz MGEJZKYLNFXUNO-GFCCVEGCSA-N 0 3 291.351 1.943 20 5 CDBDHN CC(=O)c1ccc(NC[C@](C)(O)CN(C)C)c([N+](=O)[O-])c1 ZINC000269893042 377492386 /nfs/dbraw/zinc/49/23/86/377492386.db2.gz RLJZEMSPFNKFTC-AWEZNQCLSA-N 0 3 295.339 1.522 20 5 CDBDHN CC1=CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000436267481 249390447 /nfs/dbraw/zinc/39/04/47/249390447.db2.gz CUAKYBLFLRSHBQ-ZDUSSCGKSA-N 0 3 292.335 1.987 20 5 CDBDHN Cc1c(CNC2(CO)CCOCC2)cccc1[N+](=O)[O-] ZINC000069248575 377896270 /nfs/dbraw/zinc/89/62/70/377896270.db2.gz BDKDOCLRMXJNFH-UHFFFAOYSA-N 0 3 280.324 1.534 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000173620044 378729264 /nfs/dbraw/zinc/72/92/64/378729264.db2.gz AGIGJCFYWKJPQW-GFCCVEGCSA-N 0 3 291.351 1.975 20 5 CDBDHN CCO[C@@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872462 379596441 /nfs/dbraw/zinc/59/64/41/379596441.db2.gz MBDKXEFOGFJODJ-QWHCGFSZSA-N 0 3 296.371 1.927 20 5 CDBDHN CN(C)CCN(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000288299466 197047145 /nfs/dbraw/zinc/04/71/45/197047145.db2.gz IAAOKJVZCRLREH-UHFFFAOYSA-N 0 3 281.341 1.597 20 5 CDBDHN C[C@@H](NC[C@@H](O)CN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312488 197293788 /nfs/dbraw/zinc/29/37/88/197293788.db2.gz FDQZDDXJNJIVKM-IAQYHMDHSA-N 0 3 293.367 1.701 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@H](N3CCCCC3)C2)nc1 ZINC000273650950 285176976 /nfs/dbraw/zinc/17/69/76/285176976.db2.gz UKVMSVJJRUOBPZ-NSHDSACASA-N 0 3 277.328 1.449 20 5 CDBDHN COC(=O)CC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000288500942 197096489 /nfs/dbraw/zinc/09/64/89/197096489.db2.gz DVWQTSJCBACOSD-VIFPVBQESA-N 0 3 295.295 1.122 20 5 CDBDHN C[C@H]1C[C@@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000340914401 390970889 /nfs/dbraw/zinc/97/08/89/390970889.db2.gz RPKXOCWCKYEYSC-GXFFZTMASA-N 0 3 250.298 1.592 20 5 CDBDHN CC(C)(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000519885229 391286601 /nfs/dbraw/zinc/28/66/01/391286601.db2.gz TYCGCQXDAYKMLZ-UHFFFAOYSA-N 0 3 294.355 1.869 20 5 CDBDHN C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000415631382 391470183 /nfs/dbraw/zinc/47/01/83/391470183.db2.gz MPLPMEHLPZMEDC-RKDXNWHRSA-N 0 3 296.302 1.948 20 5 CDBDHN C[C@@H](NC(=O)NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000133476215 391931033 /nfs/dbraw/zinc/93/10/33/391931033.db2.gz YBKBZDNSIFYUBI-SNVBAGLBSA-N 0 3 280.328 1.517 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000262804375 131263242 /nfs/dbraw/zinc/26/32/42/131263242.db2.gz PVQZBVWYVLJBOW-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN CC(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000263913596 131359369 /nfs/dbraw/zinc/35/93/69/131359369.db2.gz NSLPHEXNCWKERP-UHFFFAOYSA-N 0 3 280.328 1.479 20 5 CDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549372492 392574115 /nfs/dbraw/zinc/57/41/15/392574115.db2.gz SXZWPGVGKRCZQX-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](N2CCCC2)C1 ZINC000078571710 392939152 /nfs/dbraw/zinc/93/91/52/392939152.db2.gz GJONRIFMCJTWRZ-GFCCVEGCSA-N 0 3 276.340 1.973 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000421700302 392943115 /nfs/dbraw/zinc/94/31/15/392943115.db2.gz DSIBSPONKMGVNA-CYBMUJFWSA-N 0 3 277.324 1.761 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131759951 393207438 /nfs/dbraw/zinc/20/74/38/393207438.db2.gz OKQRMTDTLXRZLP-NSHDSACASA-N 0 3 295.314 1.948 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180744201 140017741 /nfs/dbraw/zinc/01/77/41/140017741.db2.gz CEBCHGOZJYRNSK-SNVBAGLBSA-N 0 3 292.339 1.343 20 5 CDBDHN CC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856515 140220040 /nfs/dbraw/zinc/22/00/40/140220040.db2.gz HZRHWLXENQPFAY-JTQLQIEISA-N 0 3 251.286 1.257 20 5 CDBDHN CSc1ccc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000343004121 151992185 /nfs/dbraw/zinc/99/21/85/151992185.db2.gz PTHSFKYGOIBDAJ-VIFPVBQESA-N 0 3 297.380 1.997 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC1(CO)CCOCC1 ZINC000344336184 152498797 /nfs/dbraw/zinc/49/87/97/152498797.db2.gz AUMSCEAOYFZALL-HYXAFXHYSA-N 0 3 292.335 1.739 20 5 CDBDHN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000346685534 153271889 /nfs/dbraw/zinc/27/18/89/153271889.db2.gz SQAINFHKFWMVHN-MFKMUULPSA-N 0 3 278.308 1.978 20 5 CDBDHN CC(C)[C@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285101953 196197491 /nfs/dbraw/zinc/19/74/91/196197491.db2.gz KJBVLZHKFPLCKE-TVQRCGJNSA-N 0 3 267.329 1.845 20 5 CDBDHN COC[C@@H](CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000285308242 196246297 /nfs/dbraw/zinc/24/62/97/196246297.db2.gz SJMSGWFUXPBBTJ-MWLCHTKSSA-N 0 3 283.328 1.489 20 5 CDBDHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000038083179 174093091 /nfs/dbraw/zinc/09/30/91/174093091.db2.gz NHQAPFZJELNTTG-GHMZBOCLSA-N 0 3 298.364 1.680 20 5 CDBDHN C[C@H](NC[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000079928675 177582157 /nfs/dbraw/zinc/58/21/57/177582157.db2.gz QSTOWQXVLXNJLT-ONGXEEELSA-N 0 3 263.297 1.524 20 5 CDBDHN CCCNC(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000044351465 270227271 /nfs/dbraw/zinc/22/72/71/270227271.db2.gz XYBNTZXXBKAWJM-UHFFFAOYSA-N 0 3 279.340 1.909 20 5 CDBDHN CN(C)C1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000397881486 270351660 /nfs/dbraw/zinc/35/16/60/270351660.db2.gz KSPDKIKUNDUFIS-UHFFFAOYSA-N 0 3 255.343 1.840 20 5 CDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1 ZINC000053711755 274364640 /nfs/dbraw/zinc/36/46/40/274364640.db2.gz SGDDNVFDBUIQAT-DTORHVGOSA-N 0 3 253.277 1.921 20 5 CDBDHN CCN(C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269471334 276071378 /nfs/dbraw/zinc/07/13/78/276071378.db2.gz UQORIJXTWQDJOB-UHFFFAOYSA-N 0 3 283.332 1.123 20 5 CDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000287228173 278099813 /nfs/dbraw/zinc/09/98/13/278099813.db2.gz QOHMGUOTRRSVFY-NXEZZACHSA-N 0 3 293.327 1.017 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCN(C)C1=O ZINC000449179064 279382515 /nfs/dbraw/zinc/38/25/15/279382515.db2.gz VDKSLVMKCNFGBH-DGCLKSJQSA-N 0 3 291.351 1.736 20 5 CDBDHN CN(C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000125539738 279470488 /nfs/dbraw/zinc/47/04/88/279470488.db2.gz NUQFPNDVKMVDHL-BQYQJAHWSA-N 0 3 263.297 1.286 20 5 CDBDHN C[C@@H](O)CN(CCOc1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000248907460 280393313 /nfs/dbraw/zinc/39/33/13/280393313.db2.gz IGXFVMYHOGTDQG-VXGBXAGGSA-N 0 3 298.339 1.037 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)[C@@H]1CCOC1 ZINC000565218821 293566367 /nfs/dbraw/zinc/56/63/67/293566367.db2.gz RULJTNMFJKXJRP-RIEGTJTDSA-N 0 3 292.335 1.569 20 5 CDBDHN COCCN1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000572939946 294719517 /nfs/dbraw/zinc/71/95/17/294719517.db2.gz QMKDGACCNCQHLC-UHFFFAOYSA-N 0 3 298.318 1.652 20 5 CDBDHN CC(C)N(C)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000049400425 519607790 /nfs/dbraw/zinc/60/77/90/519607790.db2.gz JYIRAYKMNRCZPY-UHFFFAOYSA-N 0 3 279.340 1.594 20 5 CDBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000184796208 527001989 /nfs/dbraw/zinc/00/19/89/527001989.db2.gz NMOAFCIQMBZVPA-NWDGAFQWSA-N 0 3 277.324 1.729 20 5 CDBDHN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCCNCC1 ZINC000050499160 527038257 /nfs/dbraw/zinc/03/82/57/527038257.db2.gz KADOQJXYOJGZKO-UHFFFAOYSA-N 0 3 295.364 1.509 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820466 535655207 /nfs/dbraw/zinc/65/52/07/535655207.db2.gz CAWPSXZSDWUCBQ-NOZJJQNGSA-N 0 3 292.339 1.248 20 5 CDBDHN CNC(=O)C[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000322660530 536299063 /nfs/dbraw/zinc/29/90/63/536299063.db2.gz CQAAHXJMMOSUMH-VIFPVBQESA-N 0 3 265.313 1.517 20 5 CDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000759872796 576439136 /nfs/dbraw/zinc/43/91/36/576439136.db2.gz FFKFEWPFVZDDQC-BPCQOVAHSA-N 0 3 266.297 1.083 20 5 CDBDHN O=C1NCCN1CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000895815263 619858437 /nfs/dbraw/zinc/85/84/37/619858437.db2.gz ZFLPGYDGMYDAKI-UHFFFAOYSA-N 0 3 298.730 1.363 20 5 CDBDHN CC1(C)CNC(=O)[C@H]1NCCc1ccccc1[N+](=O)[O-] ZINC000925153687 620495603 /nfs/dbraw/zinc/49/56/03/620495603.db2.gz NBMJSUYCKQPGQW-GFCCVEGCSA-N 0 3 277.324 1.252 20 5 CDBDHN COC(=O)c1ccc(OC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000916203281 631939629 /nfs/dbraw/zinc/93/96/29/631939629.db2.gz OFTIQNYVGTZNOF-NSHDSACASA-N 0 3 294.307 1.854 20 5 CDBDHN COc1ccc(C[C@H](C)N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327224 1162337796 /nfs/dbraw/zinc/33/77/96/1162337796.db2.gz GABUKHKGASLTAY-WCQYABFASA-N 0 3 294.351 1.991 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ncc([N+](=O)[O-])cc2F)n1 ZINC001158348643 1162892227 /nfs/dbraw/zinc/89/22/27/1162892227.db2.gz JGOXXOXGEHZAHL-ZCFIWIBFSA-N 0 3 251.221 1.334 20 5 CDBDHN CCOc1cc(N[C@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001170570418 1162954719 /nfs/dbraw/zinc/95/47/19/1162954719.db2.gz BXDKPAABIDDYAJ-YGRLFVJLSA-N 0 3 295.339 1.782 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NCCN(C)CCO ZINC000884823988 791151732 /nfs/dbraw/zinc/15/17/32/791151732.db2.gz NEFCDFVMVKGFJX-UHFFFAOYSA-N 0 3 253.302 1.239 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037286026 791335733 /nfs/dbraw/zinc/33/57/33/791335733.db2.gz JCWDMYQZOBNCLN-LLVKDONJSA-N 0 3 295.314 1.948 20 5 CDBDHN COc1c(C(=O)OCC(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813102302 791792346 /nfs/dbraw/zinc/79/23/46/791792346.db2.gz DPQRPDXOKUFHDK-ZETCQYMHSA-N 0 3 284.224 1.425 20 5 CDBDHN COC(=O)[C@@H]1CN(C)CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000840358408 792203308 /nfs/dbraw/zinc/20/33/08/792203308.db2.gz AGDRGNNJPKKIIL-LLVKDONJSA-N 0 3 293.323 1.136 20 5 CDBDHN CC(COC(=O)C[C@H](C)c1cnn(C)c1)[N+](=O)[O-] ZINC000842363057 792833722 /nfs/dbraw/zinc/83/37/22/792833722.db2.gz WMOZPMYHQKVYJM-DTWKUNHWSA-N 0 3 255.274 1.122 20 5 CDBDHN CC(COC(=O)c1cnn(C)c1-n1cccc1)[N+](=O)[O-] ZINC000813106524 793905957 /nfs/dbraw/zinc/90/59/57/793905957.db2.gz DYAOAWKNKJTUNO-SECBINFHSA-N 0 3 278.268 1.033 20 5 CDBDHN COc1cccc([C@@H](OC)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000851036197 794174268 /nfs/dbraw/zinc/17/42/68/794174268.db2.gz GKHJLPMAAHEQSS-JOYOIKCWSA-N 0 3 283.280 1.591 20 5 CDBDHN C[C@@H](N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000881209930 794381165 /nfs/dbraw/zinc/38/11/65/794381165.db2.gz NYJSKOPBDCVSQZ-SSDOTTSWSA-N 0 3 265.248 1.393 20 5 CDBDHN CC(COC(=O)c1ccc(Cn2ccnn2)cc1)[N+](=O)[O-] ZINC000860776107 794864011 /nfs/dbraw/zinc/86/40/11/794864011.db2.gz BMFWSEMBCHQFBC-SNVBAGLBSA-N 0 3 290.279 1.148 20 5 CDBDHN CC(COC(=O)c1cnccc1C(F)(F)F)[N+](=O)[O-] ZINC000847714187 795067446 /nfs/dbraw/zinc/06/74/46/795067446.db2.gz MHNDVVJVKHXLII-ZCFIWIBFSA-N 0 3 278.186 1.922 20 5 CDBDHN CC(C)(C)CCN1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000127787779 795507309 /nfs/dbraw/zinc/50/73/09/795507309.db2.gz JHTAEYKHIHHETG-UHFFFAOYSA-N 0 3 295.387 1.803 20 5 CDBDHN CNc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(Cl)n1 ZINC000813115164 795872912 /nfs/dbraw/zinc/87/29/12/795872912.db2.gz LPNNKANSTMPVFR-LURJTMIESA-N 0 3 273.676 1.599 20 5 CDBDHN O=C(NC1CN(CCCC2CCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294135 796212998 /nfs/dbraw/zinc/21/29/98/796212998.db2.gz XYBUKSMQEXFWEB-CHWSQXEVSA-N 0 3 281.356 1.032 20 5 CDBDHN COc1ccccc1C(=O)CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979950 927567478 /nfs/dbraw/zinc/56/74/78/927567478.db2.gz CJOGSEITSZVSBX-NEPJUHHUSA-N 0 3 292.335 1.913 20 5 CDBDHN COc1ccc(C(=O)CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168955827 927577220 /nfs/dbraw/zinc/57/72/20/927577220.db2.gz CORJMOIMJZEZKI-YPMHNXCESA-N 0 3 292.335 1.913 20 5 CDBDHN CCOC(=O)c1c(CN)ncn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168962332 927582407 /nfs/dbraw/zinc/58/24/07/927582407.db2.gz LKLBLVKTXWEBEK-ZJUUUORDSA-N 0 3 296.327 1.136 20 5 CDBDHN C[C@@H](N)c1ccn(-c2c(Cl)cncc2[N+](=O)[O-])n1 ZINC001169232529 927846153 /nfs/dbraw/zinc/84/61/53/927846153.db2.gz GRMFZCQOQCMLSU-ZCFIWIBFSA-N 0 3 267.676 1.849 20 5 CDBDHN C[C@H](N)c1ccn(-c2cc3c(c([N+](=O)[O-])c2)NN(C)C3)n1 ZINC001169237872 927868514 /nfs/dbraw/zinc/86/85/14/927868514.db2.gz RKISQLKSZVPRMM-QMMMGPOBSA-N 0 3 288.311 1.573 20 5 CDBDHN O=[N+]([O-])c1cc(N[C@H]2CN3CCC2CC3)nc2[nH]ccc21 ZINC001155667857 937662151 /nfs/dbraw/zinc/66/21/51/937662151.db2.gz PLYFIXPOMRLIKC-NSHDSACASA-N 0 3 287.323 1.977 20 5 CDBDHN C[C@@H](NC(=O)[C@@H](N)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122252833 937915637 /nfs/dbraw/zinc/91/56/37/937915637.db2.gz YXSLIPMSMUDYJL-RNCFNFMXSA-N 0 3 277.324 1.899 20 5 CDBDHN Cc1cc(CN)nn1-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156039099 938312817 /nfs/dbraw/zinc/31/28/17/938312817.db2.gz MSLOEVCSEWNBAE-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN COc1nc(-n2ccc([C@@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001158348194 938611460 /nfs/dbraw/zinc/61/14/60/938611460.db2.gz CWLLQUHGVQDJLU-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN O=[N+]([O-])c1nccnc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163646826 939297702 /nfs/dbraw/zinc/29/77/02/939297702.db2.gz WVDONLUSOAWOHT-GXFFZTMASA-N 0 3 293.327 1.098 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cnc1-n1cnc2c1CNCC2 ZINC001164310221 939451520 /nfs/dbraw/zinc/45/15/20/939451520.db2.gz MKFMVQLNOWLVDO-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN CCOc1nc(-n2ncc3c2CCNC3)ccc1[N+](=O)[O-] ZINC001165220718 939526923 /nfs/dbraw/zinc/52/69/23/939526923.db2.gz YXKVULMFNYIACY-UHFFFAOYSA-N 0 3 289.295 1.220 20 5 CDBDHN CC[N@@H+]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666154 941897073 /nfs/dbraw/zinc/89/70/73/941897073.db2.gz GXONDMGDZIRDIW-MRVPVSSYSA-N 0 3 253.258 1.168 20 5 CDBDHN CC[N@H+]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666154 941897074 /nfs/dbraw/zinc/89/70/74/941897074.db2.gz GXONDMGDZIRDIW-MRVPVSSYSA-N 0 3 253.258 1.168 20 5 CDBDHN Cc1[n-]c(=O)cc(O[C@@H](C)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001228688127 942358870 /nfs/dbraw/zinc/35/88/70/942358870.db2.gz FDWJRVSLSPWUMW-QMMMGPOBSA-O 0 3 270.309 1.477 20 5 CDBDHN CCOC(=O)c1ccc(O[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC001230912641 942732534 /nfs/dbraw/zinc/73/25/34/942732534.db2.gz IKFRQWNONREBKT-LLVKDONJSA-N 0 3 294.307 1.854 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCCOC1 ZINC000131913005 341992356 /nfs/dbraw/zinc/99/23/56/341992356.db2.gz ZKCOYTMAEMELOH-GFCCVEGCSA-N 0 3 295.339 1.115 20 5 CDBDHN CN1C[C@@H]2CN(c3ccc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000618686189 349508589 /nfs/dbraw/zinc/50/85/89/349508589.db2.gz XVDPIYXCNKXVAY-DTORHVGOSA-N 0 3 253.327 1.654 20 5 CDBDHN COc1ccc(NC(=O)CNC2CC2)cc1[N+](=O)[O-] ZINC000136480910 342071537 /nfs/dbraw/zinc/07/15/37/342071537.db2.gz OVVHURZVHHVQTA-UHFFFAOYSA-N 0 3 265.269 1.294 20 5 CDBDHN C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000590801465 342597663 /nfs/dbraw/zinc/59/76/63/342597663.db2.gz PXNOREBYMDPZCI-JTQLQIEISA-N 0 3 280.328 1.344 20 5 CDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCC2CC2)cc1 ZINC000591744853 342645151 /nfs/dbraw/zinc/64/51/51/342645151.db2.gz SGSNEOQRHZONSQ-UHFFFAOYSA-N 0 3 298.364 1.758 20 5 CDBDHN CN1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061031480 342157257 /nfs/dbraw/zinc/15/72/57/342157257.db2.gz MQWZORTVVBOTLA-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN CCOC(=O)CCN(CCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000594049569 342865083 /nfs/dbraw/zinc/86/50/83/342865083.db2.gz AYVOEADDYANOKS-UHFFFAOYSA-N 0 3 298.343 1.455 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1COCCN1 ZINC000600677060 342241965 /nfs/dbraw/zinc/24/19/65/342241965.db2.gz AWABPRRRWZVFAW-LBPRGKRZSA-N 0 3 295.339 1.072 20 5 CDBDHN O=C1CCC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])N1 ZINC000594503989 342914559 /nfs/dbraw/zinc/91/45/59/342914559.db2.gz LCWGXDSZMXCTCP-ZWNOBZJWSA-N 0 3 289.335 1.840 20 5 CDBDHN C[C@@H](O)C[C@@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611931592 346910319 /nfs/dbraw/zinc/91/03/19/346910319.db2.gz BGWZDBQYMXGZJT-NXEZZACHSA-N 0 3 296.323 1.615 20 5 CDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000108303863 349734187 /nfs/dbraw/zinc/73/41/87/349734187.db2.gz OEQXNOXSCOOKAB-JTQLQIEISA-N 0 3 279.296 1.402 20 5 CDBDHN Cc1noc(CN(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000595311675 343033590 /nfs/dbraw/zinc/03/35/90/343033590.db2.gz FQTASECNJKOBBU-UHFFFAOYSA-N 0 3 268.317 1.419 20 5 CDBDHN CCN1CCC(N(C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595346836 343044709 /nfs/dbraw/zinc/04/47/09/343044709.db2.gz MGBMUYQYCJWNBC-UHFFFAOYSA-N 0 3 282.344 1.807 20 5 CDBDHN C[C@H](CN1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076268880 342320294 /nfs/dbraw/zinc/32/02/94/342320294.db2.gz MMEHOIUJDRFNHO-VHSXEESVSA-N 0 3 294.359 1.499 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000212555610 342439031 /nfs/dbraw/zinc/43/90/31/342439031.db2.gz NCFJHICIVGXZDX-OBBGCOQJSA-N 0 3 289.335 1.817 20 5 CDBDHN COC[C@](C)(O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000382576238 362250463 /nfs/dbraw/zinc/25/04/63/362250463.db2.gz UFLINIYRMUHXBE-BXUZGUMPSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598645359 343855634 /nfs/dbraw/zinc/85/56/34/343855634.db2.gz HVSCVSQZSSQVSA-CHWSQXEVSA-N 0 3 294.351 1.924 20 5 CDBDHN C[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000136157365 362306013 /nfs/dbraw/zinc/30/60/13/362306013.db2.gz MMBRNYJGNAJYPB-CQSZACIVSA-N 0 3 277.324 1.743 20 5 CDBDHN CCOC[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778707 344594818 /nfs/dbraw/zinc/59/48/18/344594818.db2.gz NJMFJEBKIQOUBO-GFCCVEGCSA-N 0 3 282.344 1.458 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@@H](C)CC1 ZINC000602818297 344608060 /nfs/dbraw/zinc/60/80/60/344608060.db2.gz CZNXXBOSVTYLDD-JTQLQIEISA-N 0 3 284.385 1.927 20 5 CDBDHN CC[C@@H](C)N1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602841563 344622294 /nfs/dbraw/zinc/62/22/94/344622294.db2.gz UDJBHSUFQCDYQK-GFCCVEGCSA-N 0 3 295.387 1.516 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292824525 362512848 /nfs/dbraw/zinc/51/28/48/362512848.db2.gz XHBZREVZCUJCEI-NEPJUHHUSA-N 0 3 266.297 1.224 20 5 CDBDHN C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C1CC1 ZINC000344241509 362558173 /nfs/dbraw/zinc/55/81/73/362558173.db2.gz WGIJMQJTKHURLU-VIFPVBQESA-N 0 3 295.314 1.946 20 5 CDBDHN CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609570154 345812323 /nfs/dbraw/zinc/81/23/23/345812323.db2.gz KLLAXGARKYYDCU-UHFFFAOYSA-N 0 3 282.344 1.395 20 5 CDBDHN CC(C)C1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000619506659 345779639 /nfs/dbraw/zinc/77/96/39/345779639.db2.gz BBADPMVIMVTSMS-CQSZACIVSA-N 0 3 294.351 1.922 20 5 CDBDHN CO[C@]1(CNCc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000160308198 345793678 /nfs/dbraw/zinc/79/36/78/345793678.db2.gz SHJUIFIPTJCFQF-AWEZNQCLSA-N 0 3 280.324 1.798 20 5 CDBDHN C[C@@H]1CNCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000054375100 347821164 /nfs/dbraw/zinc/82/11/64/347821164.db2.gz UCFLFAYYIBXSEQ-SSDOTTSWSA-N 0 3 267.314 1.102 20 5 CDBDHN CCN1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000110816059 186326120 /nfs/dbraw/zinc/32/61/20/186326120.db2.gz MGUFCMROQFIDFP-UHFFFAOYSA-N 0 3 292.339 1.345 20 5 CDBDHN CN1CCC[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000311663759 350705694 /nfs/dbraw/zinc/70/56/94/350705694.db2.gz OHGNNLPBQOEFQO-SECBINFHSA-N 0 3 265.317 1.326 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000079768458 350967683 /nfs/dbraw/zinc/96/76/83/350967683.db2.gz UDMHADOAYGQQTC-ZDUSSCGKSA-N 0 3 280.324 1.676 20 5 CDBDHN CCC[C@@H](O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000112377627 186492023 /nfs/dbraw/zinc/49/20/23/186492023.db2.gz HTRBJDOONQZOAB-LLVKDONJSA-N 0 3 268.313 1.854 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCN(C)C ZINC000123072785 187069697 /nfs/dbraw/zinc/06/96/97/187069697.db2.gz DOWNUZQEWWDCBP-UHFFFAOYSA-N 0 3 296.327 1.629 20 5 CDBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1C ZINC000122615388 187041265 /nfs/dbraw/zinc/04/12/65/187041265.db2.gz UPDWYDZJAYOLCM-RYUDHWBXSA-N 0 3 279.340 1.734 20 5 CDBDHN C[C@@H](CS(C)(=O)=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000271736136 191299063 /nfs/dbraw/zinc/29/90/63/191299063.db2.gz UDWXJGKTPOGILV-JTQLQIEISA-N 0 3 286.353 1.160 20 5 CDBDHN C[C@H](C[S@@](C)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000168165082 188646991 /nfs/dbraw/zinc/64/69/91/188646991.db2.gz RXROQIZOFQKTBH-XLFHBGCDSA-N 0 3 256.327 1.451 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000229938958 356318881 /nfs/dbraw/zinc/31/88/81/356318881.db2.gz RCFADMPODZNHOJ-LLVKDONJSA-N 0 3 261.285 1.644 20 5 CDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCC1 ZINC000097935856 356956760 /nfs/dbraw/zinc/95/67/60/356956760.db2.gz GMJCJVOFGIJANG-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCN(C)C ZINC000341304048 357223027 /nfs/dbraw/zinc/22/30/27/357223027.db2.gz SRTQWIDDYFOUMX-UHFFFAOYSA-N 0 3 281.312 1.663 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCCN(C)C1 ZINC000360984218 357763963 /nfs/dbraw/zinc/76/39/63/357763963.db2.gz INTLHASKURTKFE-LLVKDONJSA-N 0 3 281.360 1.650 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000287191114 358143668 /nfs/dbraw/zinc/14/36/68/358143668.db2.gz MEOAERQUWVEXNK-NSHDSACASA-N 0 3 293.367 1.939 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000287244214 358350190 /nfs/dbraw/zinc/35/01/90/358350190.db2.gz QGWRRUFLFDIWEO-QMMMGPOBSA-N 0 3 296.283 1.183 20 5 CDBDHN COc1cc(CNCCn2cc([N+](=O)[O-])cn2)ccc1C ZINC000194376754 358365785 /nfs/dbraw/zinc/36/57/85/358365785.db2.gz VWQOFCIXVHOJMI-UHFFFAOYSA-N 0 3 290.323 1.898 20 5 CDBDHN C[C@@H]1C[C@H](C)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341581596 358665866 /nfs/dbraw/zinc/66/58/66/358665866.db2.gz HDDNINNHMZTCOS-MNOVXSKESA-N 0 3 265.313 1.487 20 5 CDBDHN COc1ccc(CN[C@@H](C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000342206178 358967082 /nfs/dbraw/zinc/96/70/82/358967082.db2.gz PXTHZEUKZUEDLP-DTWKUNHWSA-N 0 3 254.286 1.462 20 5 CDBDHN CCN(C)C[C@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000383755614 359611386 /nfs/dbraw/zinc/61/13/86/359611386.db2.gz NKLAXOVLBZIEQP-JTQLQIEISA-N 0 3 286.303 1.734 20 5 CDBDHN C[C@@H](C(=O)N(C)CCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000347983154 360016149 /nfs/dbraw/zinc/01/61/49/360016149.db2.gz ANACDDGXQCTNEW-SNVBAGLBSA-N 0 3 297.330 1.857 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773191 361164300 /nfs/dbraw/zinc/16/43/00/361164300.db2.gz XMKIIXXUUAKWCO-QWRGUYRKSA-N 0 3 264.329 1.766 20 5 CDBDHN Cc1c(CN2CC[C@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000367306827 361286107 /nfs/dbraw/zinc/28/61/07/361286107.db2.gz AWRLCGGKMICFLH-LLVKDONJSA-N 0 3 277.324 1.601 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000268139022 364332095 /nfs/dbraw/zinc/33/20/95/364332095.db2.gz KAXCTVQOXIAYDG-KOLCDFICSA-N 0 3 262.313 1.884 20 5 CDBDHN COC[C@@H](CCO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293738486 364463724 /nfs/dbraw/zinc/46/37/24/364463724.db2.gz NJJSQPSGESNZMQ-MWLCHTKSSA-N 0 3 283.328 1.225 20 5 CDBDHN Cc1cc(OCC(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000412392514 240191564 /nfs/dbraw/zinc/19/15/64/240191564.db2.gz DVIZOLCWAZIGLZ-NSHDSACASA-N 0 3 295.339 1.348 20 5 CDBDHN COCCNCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414664670 241310602 /nfs/dbraw/zinc/31/06/02/241310602.db2.gz UFAXQEWCGGBHDL-UHFFFAOYSA-N 0 3 296.327 1.261 20 5 CDBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1=CCN(C)CC1 ZINC000272635276 367785791 /nfs/dbraw/zinc/78/57/91/367785791.db2.gz BVYUJJNYLJIFQO-SECBINFHSA-N 0 3 279.296 1.568 20 5 CDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330726907 203160599 /nfs/dbraw/zinc/16/05/99/203160599.db2.gz FVYSXIOZFPXNHN-JTQLQIEISA-N 0 3 294.355 1.725 20 5 CDBDHN CCc1nn(C)c(N(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420636984 244303130 /nfs/dbraw/zinc/30/31/30/244303130.db2.gz OCGUXULFWPLNFD-JTQLQIEISA-N 0 3 281.360 1.421 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669497 369786109 /nfs/dbraw/zinc/78/61/09/369786109.db2.gz JCEHBKQSLCFWFX-NSHDSACASA-N 0 3 295.314 1.948 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000441332399 370092177 /nfs/dbraw/zinc/09/21/77/370092177.db2.gz JWEWPGKSIVWPNH-CAMLPZEUSA-N 0 3 289.335 1.722 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N(C)C ZINC000298378061 373516406 /nfs/dbraw/zinc/51/64/06/373516406.db2.gz CKNRKLQRXOXERI-VIFPVBQESA-N 0 3 296.327 1.675 20 5 CDBDHN Cc1c(NC(=O)NC[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000298401748 373519023 /nfs/dbraw/zinc/51/90/23/373519023.db2.gz RKVLROBFESUSSO-VIFPVBQESA-N 0 3 280.328 1.975 20 5 CDBDHN CO[C@@]1(CNCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000122938846 373696396 /nfs/dbraw/zinc/69/63/96/373696396.db2.gz VSTFKVWNHYBYGR-CYBMUJFWSA-N 0 3 266.297 1.490 20 5 CDBDHN C[C@H](NCCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000130860557 373758773 /nfs/dbraw/zinc/75/87/73/373758773.db2.gz HUCZTCDHHBTKJL-JTQLQIEISA-N 0 3 277.324 1.772 20 5 CDBDHN CO[C@@H](CN)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423729778 246008841 /nfs/dbraw/zinc/00/88/41/246008841.db2.gz VVGGETPNQVVJTO-ZDUSSCGKSA-N 0 3 293.323 1.060 20 5 CDBDHN CSCC[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000131168058 374682693 /nfs/dbraw/zinc/68/26/93/374682693.db2.gz MKFKJHHYGLTQFT-SNVBAGLBSA-N 0 3 283.353 1.291 20 5 CDBDHN CN(C)C(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000037895124 374963246 /nfs/dbraw/zinc/96/32/46/374963246.db2.gz IRPXRQWALUNIBS-UHFFFAOYSA-N 0 3 251.286 1.163 20 5 CDBDHN COc1ccc(CN2CC[C@@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000280411604 374994506 /nfs/dbraw/zinc/99/45/06/374994506.db2.gz YNLMBMXUQWUQGF-CQSZACIVSA-N 0 3 293.323 1.301 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000332468207 375031711 /nfs/dbraw/zinc/03/17/11/375031711.db2.gz MHAKKXFBYUWJLE-UHFFFAOYSA-N 0 3 250.298 1.592 20 5 CDBDHN CC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000305083419 375549098 /nfs/dbraw/zinc/54/90/98/375549098.db2.gz NDFXUNQHVWRKDR-CMPLNLGQSA-N 0 3 280.328 1.247 20 5 CDBDHN Cc1cc(NCCOCCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000228448822 375762020 /nfs/dbraw/zinc/76/20/20/375762020.db2.gz KZEINLXKLHKALO-UHFFFAOYSA-N 0 3 291.307 1.872 20 5 CDBDHN C[C@@H](O)C[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000269849035 375801902 /nfs/dbraw/zinc/80/19/02/375801902.db2.gz SXXJKIDZIMJBDQ-MNOVXSKESA-N 0 3 268.317 1.027 20 5 CDBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000358340741 375961981 /nfs/dbraw/zinc/96/19/81/375961981.db2.gz HASBDBXPTOHSRX-SECBINFHSA-N 0 3 283.303 1.343 20 5 CDBDHN CN1CCC[C@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000344599322 376640302 /nfs/dbraw/zinc/64/03/02/376640302.db2.gz DSMNZNUNTGQCSR-LVDDQXARSA-N 0 3 289.335 1.818 20 5 CDBDHN CC(C)OC[C@H](CO)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000433156249 247995715 /nfs/dbraw/zinc/99/57/15/247995715.db2.gz IORGERNXTLXMBR-HNNXBMFYSA-N 0 3 296.367 1.855 20 5 CDBDHN CCCc1n[nH]c(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000172327553 377455885 /nfs/dbraw/zinc/45/58/85/377455885.db2.gz KYXYYWZPPVTVHY-UHFFFAOYSA-N 0 3 295.343 1.096 20 5 CDBDHN CCc1[nH]nc(C(=O)N2CCCN(CC)CC2)c1[N+](=O)[O-] ZINC000278577619 194053495 /nfs/dbraw/zinc/05/34/95/194053495.db2.gz KZNSTSBRLZAWRN-UHFFFAOYSA-N 0 3 295.343 1.048 20 5 CDBDHN COC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278694759 194107689 /nfs/dbraw/zinc/10/76/89/194107689.db2.gz QFOCGSPTFXVDBS-ZIAGYGMSSA-N 0 3 280.324 1.878 20 5 CDBDHN COc1ccc(OCCN(C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000173799754 379240237 /nfs/dbraw/zinc/24/02/37/379240237.db2.gz UUFGMPFUXBFECS-JTQLQIEISA-N 0 3 284.312 1.295 20 5 CDBDHN CN(C[C@@H](O)CN1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000289309301 197292431 /nfs/dbraw/zinc/29/24/31/197292431.db2.gz DUHQGYSDYKADOC-GFCCVEGCSA-N 0 3 291.351 1.412 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN([C@H]3COC[C@H]3O)C2)cc1 ZINC000451543204 390631617 /nfs/dbraw/zinc/63/16/17/390631617.db2.gz BHJHYQNKTYGGAU-VHDGCEQUSA-N 0 3 292.335 1.534 20 5 CDBDHN CCOc1cc(NCCN(C)C)ccc1[N+](=O)[O-] ZINC000111045495 390667755 /nfs/dbraw/zinc/66/77/55/390667755.db2.gz XAYPUFOHUSVHHZ-UHFFFAOYSA-N 0 3 253.302 1.967 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103119805 390674927 /nfs/dbraw/zinc/67/49/27/390674927.db2.gz DNBLWOWMJJFJOU-UHFFFAOYSA-N 0 3 277.324 1.763 20 5 CDBDHN Cc1cnc(N2CCCN([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000344989228 391334863 /nfs/dbraw/zinc/33/48/63/391334863.db2.gz NXSOHWRIEVMYDN-GFCCVEGCSA-N 0 3 294.355 1.191 20 5 CDBDHN C[C@@H](NC[C@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000266783427 391336374 /nfs/dbraw/zinc/33/63/74/391336374.db2.gz NSAFGNBWBOSOPH-YGRLFVJLSA-N 0 3 290.323 1.713 20 5 CDBDHN C[C@@H](NCC(C)(C)OCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294063890 391324287 /nfs/dbraw/zinc/32/42/87/391324287.db2.gz HJRMRRNJWADPEF-SNVBAGLBSA-N 0 3 297.355 1.615 20 5 CDBDHN Cc1nc(N2C[C@@H](N3CCCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000294828912 391723798 /nfs/dbraw/zinc/72/37/98/391723798.db2.gz AJIRSOYOQUHYTJ-PWSUYJOCSA-N 0 3 291.355 1.756 20 5 CDBDHN C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000190430826 130103683 /nfs/dbraw/zinc/10/36/83/130103683.db2.gz ADVGSFHOMLWNFL-DGCLKSJQSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000237602632 131046029 /nfs/dbraw/zinc/04/60/29/131046029.db2.gz OGSYFCLPSJABMS-WDEREUQCSA-N 0 3 293.323 1.182 20 5 CDBDHN C[C@H]1[C@@H](CO)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717183 392722058 /nfs/dbraw/zinc/72/20/58/392722058.db2.gz KUIZWLDHNFPYGW-NWDGAFQWSA-N 0 3 280.324 1.676 20 5 CDBDHN CN(CCn1ccc(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000430103431 393090775 /nfs/dbraw/zinc/09/07/75/393090775.db2.gz PVYSQIFLIOTSMM-UHFFFAOYSA-N 0 3 287.319 1.889 20 5 CDBDHN COc1cccc(C(=O)NCCN2CCCC2)c1[N+](=O)[O-] ZINC000195334030 393171487 /nfs/dbraw/zinc/17/14/87/393171487.db2.gz LELONVKLRMDEFQ-UHFFFAOYSA-N 0 3 293.323 1.429 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000262808261 149116330 /nfs/dbraw/zinc/11/63/30/149116330.db2.gz QKZDBCFFFXMGJB-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN CCOC(=O)CC(C)(C)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000343887111 152340451 /nfs/dbraw/zinc/34/04/51/152340451.db2.gz MGFYZCATEDUGMY-UHFFFAOYSA-N 0 3 298.343 1.455 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 ZINC000344008269 152386992 /nfs/dbraw/zinc/38/69/92/152386992.db2.gz AMERUHZZVRDUER-CQDKDKBSSA-N 0 3 292.335 1.676 20 5 CDBDHN Cc1cc(C(=O)N[C@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000346286396 153125653 /nfs/dbraw/zinc/12/56/53/153125653.db2.gz ZOBTYBSCCTXFRN-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284848557 196143026 /nfs/dbraw/zinc/14/30/26/196143026.db2.gz ABBAKSLJPXPPQW-IMSIIYSGSA-N 0 3 295.339 1.368 20 5 CDBDHN CC[C@H](O)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285275004 196238558 /nfs/dbraw/zinc/23/85/58/196238558.db2.gz QZVMAGPDIPXAAK-ONGXEEELSA-N 0 3 267.329 1.989 20 5 CDBDHN CSCC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000040464070 174273152 /nfs/dbraw/zinc/27/31/52/174273152.db2.gz DQGXSCAMJZSKBW-NSHDSACASA-N 0 3 283.353 1.291 20 5 CDBDHN Cc1ccc(CN[C@@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000077900293 177308634 /nfs/dbraw/zinc/30/86/34/177308634.db2.gz JDQHIIKSHVSTHQ-GFCCVEGCSA-N 0 3 277.324 1.614 20 5 CDBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000042509324 270225545 /nfs/dbraw/zinc/22/55/45/270225545.db2.gz JIAHHWVDQOGEEM-LLVKDONJSA-N 0 3 277.324 1.809 20 5 CDBDHN Cc1c(C(=O)NCCN2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000524719862 270601783 /nfs/dbraw/zinc/60/17/83/270601783.db2.gz NQURVYQCBRRUOQ-LLVKDONJSA-N 0 3 291.351 1.975 20 5 CDBDHN CCN(CCNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000263716660 276130342 /nfs/dbraw/zinc/13/03/42/276130342.db2.gz LAOJMAPKFLCZBM-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN(C)C ZINC000286848616 276381944 /nfs/dbraw/zinc/38/19/44/276381944.db2.gz AUVOHINUDJPXSD-JTQLQIEISA-N 0 3 295.339 1.673 20 5 CDBDHN C[C@@H]1[C@@H](C)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550553 279079150 /nfs/dbraw/zinc/07/91/50/279079150.db2.gz QZJWYOVAPZAXET-NWDGAFQWSA-N 0 3 279.340 1.877 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194739426 280052630 /nfs/dbraw/zinc/05/26/30/280052630.db2.gz LDAHEHODZNMBGG-GFCCVEGCSA-N 0 3 263.297 1.419 20 5 CDBDHN CC/C=C\CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563529892 316325108 /nfs/dbraw/zinc/32/51/08/316325108.db2.gz KCSSHNPSZLCBJK-SCOBNMCVSA-N 0 3 280.324 1.890 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000379469200 323599894 /nfs/dbraw/zinc/59/98/94/323599894.db2.gz NTHXUZSGUNWDLD-DTWKUNHWSA-N 0 3 281.287 1.556 20 5 CDBDHN CC(C)C[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157473324 519364952 /nfs/dbraw/zinc/36/49/52/519364952.db2.gz QCBJNEMIGUYPKY-AWEZNQCLSA-N 0 3 291.351 1.853 20 5 CDBDHN CC(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC000020125424 519501783 /nfs/dbraw/zinc/50/17/83/519501783.db2.gz HHYYITBVYDGUHV-UHFFFAOYSA-N 0 3 265.313 1.457 20 5 CDBDHN C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000337295328 524585850 /nfs/dbraw/zinc/58/58/50/524585850.db2.gz AIVJHYFDDISTLA-GWCFXTLKSA-N 0 3 293.323 1.236 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CO)c2ccccc2)c1 ZINC000182895621 527413699 /nfs/dbraw/zinc/41/36/99/527413699.db2.gz WMRAINUDZRVNNN-ZDUSSCGKSA-N 0 3 276.296 1.115 20 5 CDBDHN Cc1ccc(CN[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734165384 575161445 /nfs/dbraw/zinc/16/14/45/575161445.db2.gz YBBNGDIVIUKYFV-LBPRGKRZSA-N 0 3 250.298 1.764 20 5 CDBDHN CN(C)C[C@H](O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000771069163 575543417 /nfs/dbraw/zinc/54/34/17/575543417.db2.gz YTZZHRKPZALWGB-SNVBAGLBSA-N 0 3 290.323 1.477 20 5 CDBDHN C[C@@H]1OCC[C@@]1(C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755170502 576934193 /nfs/dbraw/zinc/93/41/93/576934193.db2.gz SKJCKJVXLYYCKR-ZLKJLUDKSA-N 0 3 280.324 1.785 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000893221895 617473493 /nfs/dbraw/zinc/47/34/93/617473493.db2.gz SFEAGIRKISOZMQ-MWLCHTKSSA-N 0 3 296.323 1.966 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000892565782 617509370 /nfs/dbraw/zinc/50/93/70/617509370.db2.gz JNGUTGSRRPTWEP-SECBINFHSA-N 0 3 282.296 1.435 20 5 CDBDHN COCC[C@H](C)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892784143 617744501 /nfs/dbraw/zinc/74/45/01/617744501.db2.gz HAOMJOOWNWWXIF-VIFPVBQESA-N 0 3 284.312 1.824 20 5 CDBDHN CN1CCCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000029163104 630184997 /nfs/dbraw/zinc/18/49/97/630184997.db2.gz WHCHLHCZSNYXKC-UHFFFAOYSA-N 0 3 275.312 1.384 20 5 CDBDHN CN1CC[C@H](Nc2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC000234322614 1158778819 /nfs/dbraw/zinc/77/88/19/1158778819.db2.gz LKHKHHJCBLJCFR-ZETCQYMHSA-N 0 3 256.693 1.759 20 5 CDBDHN NCc1cnnn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001158420145 1162972386 /nfs/dbraw/zinc/97/23/86/1162972386.db2.gz DZQDROXXZWUZRQ-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN CN(CCN1CCCC1)c1nc(Cl)ncc1[N+](=O)[O-] ZINC000234306304 1178216917 /nfs/dbraw/zinc/21/69/17/1178216917.db2.gz YQOHPRPTNBCFCI-UHFFFAOYSA-N 0 3 285.735 1.570 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000401318837 1184134221 /nfs/dbraw/zinc/13/42/21/1184134221.db2.gz FMEITBIUZLBWAG-VGMNWLOBSA-N 0 3 267.285 1.399 20 5 CDBDHN C[C@@H]1NC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C ZINC000401318835 1184134296 /nfs/dbraw/zinc/13/42/96/1184134296.db2.gz FMEITBIUZLBWAG-CIUDSAMLSA-N 0 3 267.285 1.399 20 5 CDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000401211990 1186407022 /nfs/dbraw/zinc/40/70/22/1186407022.db2.gz AMGBLAVWOPPNHM-GARJFASQSA-N 0 3 277.324 1.806 20 5 CDBDHN CC(COC(=O)c1cc2ccccc2[nH]c1=O)[N+](=O)[O-] ZINC000813106294 1163814526 /nfs/dbraw/zinc/81/45/26/1163814526.db2.gz ACXJKLDSJUGUQW-MRVPVSSYSA-N 0 3 276.248 1.762 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104108 796848183 /nfs/dbraw/zinc/84/81/83/796848183.db2.gz KAVSJDXZZYFTIY-MRVPVSSYSA-N 0 3 268.225 1.725 20 5 CDBDHN Cc1c(CN[C@@H]2C=C[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000873080438 797817037 /nfs/dbraw/zinc/81/70/37/797817037.db2.gz PDKUMUGCKMEWDQ-WCQYABFASA-N 0 3 262.309 1.930 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](N)C(C)C)CC2 ZINC000837304694 797847806 /nfs/dbraw/zinc/84/78/06/797847806.db2.gz LWHVBEAJRYIBJS-ZDUSSCGKSA-N 0 3 277.324 1.776 20 5 CDBDHN CON(C)C(=O)[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000877660245 797960142 /nfs/dbraw/zinc/96/01/42/797960142.db2.gz KOQVTNNHKMOXJX-SNVBAGLBSA-N 0 3 281.312 1.135 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(C[C@H](O)CO)C2)cc1 ZINC000930637436 798064909 /nfs/dbraw/zinc/06/49/09/798064909.db2.gz LEWCMWXYIZSARJ-OCCSQVGLSA-N 0 3 280.324 1.127 20 5 CDBDHN CC[C@](N)(CO)N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904303 912037632 /nfs/dbraw/zinc/03/76/32/912037632.db2.gz WURFJKGUFHUHFN-UKRRQHHQSA-N 0 3 293.367 1.489 20 5 CDBDHN COC(=O)N(C)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850547883 927445074 /nfs/dbraw/zinc/44/50/74/927445074.db2.gz WIMQAXQZVGUYDP-GFCCVEGCSA-N 0 3 293.323 1.870 20 5 CDBDHN CC(COC(=O)C1CCC(C(=O)N(C)C)CC1)[N+](=O)[O-] ZINC000851036775 927503220 /nfs/dbraw/zinc/50/32/20/927503220.db2.gz MXRLYZLTOYONCA-KPPDAEKUSA-N 0 3 286.328 1.089 20 5 CDBDHN CCc1c[nH]c(=O)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000851037526 927506914 /nfs/dbraw/zinc/50/69/14/927506914.db2.gz VRGPCWAAMGKBDC-SSDOTTSWSA-N 0 3 254.242 1.172 20 5 CDBDHN COc1cccnc1CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978614 927566236 /nfs/dbraw/zinc/56/62/36/927566236.db2.gz SUPHCFUOWKYYHR-MNOVXSKESA-N 0 3 265.313 1.625 20 5 CDBDHN COC[C@@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591987 927791093 /nfs/dbraw/zinc/79/10/93/927791093.db2.gz NRUGVEDOIDUWBH-KBPBESRZSA-N 0 3 280.324 1.739 20 5 CDBDHN C[C@H](NCC[S@@](C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000131419891 930176089 /nfs/dbraw/zinc/17/60/89/930176089.db2.gz HJFLSOQGJJSAIY-XYZCENFISA-N 0 3 256.327 1.624 20 5 CDBDHN Cc1cc(NCCN(C)CCO)c(Cl)cc1[N+](=O)[O-] ZINC000884824052 930636349 /nfs/dbraw/zinc/63/63/49/930636349.db2.gz PCXRGMJOTYNYQO-UHFFFAOYSA-N 0 3 287.747 1.893 20 5 CDBDHN CC1(C)CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000890079559 931405763 /nfs/dbraw/zinc/40/57/63/931405763.db2.gz ZAXRXDZZOWIKLK-UHFFFAOYSA-N 0 3 280.328 1.385 20 5 CDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)[C@H](C)O ZINC000929338078 933227376 /nfs/dbraw/zinc/22/73/76/933227376.db2.gz PJGBUHZMMNIKQK-FZMZJTMJSA-N 0 3 282.340 1.547 20 5 CDBDHN O=[N+]([O-])CCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000930267537 933345891 /nfs/dbraw/zinc/34/58/91/933345891.db2.gz UACDECVABQVIGR-UHFFFAOYSA-N 0 3 278.356 1.676 20 5 CDBDHN CC[C@]1(O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778402388 934146062 /nfs/dbraw/zinc/14/60/62/934146062.db2.gz QMFDNVSIYDQKTN-KGLIPLIRSA-N 0 3 280.324 1.475 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000796205269 934983404 /nfs/dbraw/zinc/98/34/04/934983404.db2.gz XCFZZDOPHNRUNA-KGLIPLIRSA-N 0 3 280.324 1.739 20 5 CDBDHN Cc1cc(CN)nn1-c1ncc([N+](=O)[O-])cc1Cl ZINC001156038326 938312364 /nfs/dbraw/zinc/31/23/64/938312364.db2.gz MGPKRFCIAWMMFF-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN CCOc1nc(N[C@H]2CCN(C)C2)ccc1[N+](=O)[O-] ZINC001156580978 938388239 /nfs/dbraw/zinc/38/82/39/938388239.db2.gz PDAXDMYSQOFEJS-VIFPVBQESA-N 0 3 266.301 1.505 20 5 CDBDHN C[C@H](N)c1ccn(-c2cnc3ccc([N+](=O)[O-])cc3n2)n1 ZINC001158349263 938612135 /nfs/dbraw/zinc/61/21/35/938612135.db2.gz REQSFDNWDHLJIW-QMMMGPOBSA-N 0 3 284.279 1.743 20 5 CDBDHN CN1CCN(CCCNc2cnc(F)c([N+](=O)[O-])c2)CC1 ZINC001161710164 938924193 /nfs/dbraw/zinc/92/41/93/938924193.db2.gz OPHIIERLYURPPE-UHFFFAOYSA-N 0 3 297.334 1.178 20 5 CDBDHN CN1CCC[C@@H](Oc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230230368 942591526 /nfs/dbraw/zinc/59/15/26/942591526.db2.gz OSJYWQVRZHRUCN-MRVPVSSYSA-N 0 3 277.284 1.339 20 5 CDBDHN CN(C)C1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596704 947547767 /nfs/dbraw/zinc/54/77/67/947547767.db2.gz FIZIUZTXZQMROF-ZDUSSCGKSA-N 0 3 261.325 1.308 20 5 CDBDHN CC(=O)[C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608627 947556646 /nfs/dbraw/zinc/55/66/46/947556646.db2.gz RLVLPJMEPYECBU-DOMZBBRYSA-N 0 3 274.320 1.973 20 5 CDBDHN CN(C)CCONC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001329295626 955805547 /nfs/dbraw/zinc/80/55/47/955805547.db2.gz NPFKMGRTRMSXOI-UHFFFAOYSA-N 0 3 293.279 1.564 20 5 CDBDHN CCOCC[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC001335891305 960083315 /nfs/dbraw/zinc/08/33/15/960083315.db2.gz MTPHOLIIJDVWQN-GFCCVEGCSA-N 0 3 268.313 1.472 20 5 CDBDHN CC(C)[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)CCN1C ZINC001336691568 960473338 /nfs/dbraw/zinc/47/33/38/960473338.db2.gz CGSWTUWVYDJXQA-GFCCVEGCSA-N 0 3 279.344 1.348 20 5 CDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CN2CCC1CC2 ZINC001353789722 968234628 /nfs/dbraw/zinc/23/46/28/968234628.db2.gz QWLUKDPXQZIJTI-AWEZNQCLSA-N 0 3 289.335 1.348 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H]1CN(C)CCN1C ZINC001515986013 969924562 /nfs/dbraw/zinc/92/45/62/969924562.db2.gz BJMJNDHPIRJHHU-IUODEOHRSA-N 0 3 292.383 1.949 20 5 CDBDHN CC(COC(=O)c1ccc2cnccc2n1)[N+](=O)[O-] ZINC001518853987 970043428 /nfs/dbraw/zinc/04/34/28/970043428.db2.gz JTYRCUIVDDODHL-MRVPVSSYSA-N 0 3 261.237 1.452 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000589101543 342496834 /nfs/dbraw/zinc/49/68/34/342496834.db2.gz IALAMQYFNMTDSX-VIFPVBQESA-N 0 3 257.265 1.068 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000589102068 342496957 /nfs/dbraw/zinc/49/69/57/342496957.db2.gz YCCJDDOMEDWYDF-ZETCQYMHSA-N 0 3 275.255 1.207 20 5 CDBDHN CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCN(C)C1 ZINC000592459252 342694223 /nfs/dbraw/zinc/69/42/23/342694223.db2.gz LLQPVQWZKIYWKC-JTQLQIEISA-N 0 3 280.328 1.479 20 5 CDBDHN C[C@@H](CO)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000593083371 342763404 /nfs/dbraw/zinc/76/34/04/342763404.db2.gz LPEVEUCPERCRLY-NSHDSACASA-N 0 3 282.344 1.132 20 5 CDBDHN COc1ccc(CN(C)[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000593110706 342769570 /nfs/dbraw/zinc/76/95/70/342769570.db2.gz ZFWFYTWLOLXEQW-SNVBAGLBSA-N 0 3 268.313 1.806 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000088138918 342227031 /nfs/dbraw/zinc/22/70/31/342227031.db2.gz UHHCAUDGHCJXQY-UHFFFAOYSA-N 0 3 253.258 1.012 20 5 CDBDHN Cn1c(C(=O)NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000609383236 342264427 /nfs/dbraw/zinc/26/44/27/342264427.db2.gz QLSNCGJLIVZQMT-SNVBAGLBSA-N 0 3 280.328 1.005 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)O ZINC000595005288 342995792 /nfs/dbraw/zinc/99/57/92/342995792.db2.gz BHPIEXKEGAYDJQ-BDAKNGLRSA-N 0 3 254.286 1.635 20 5 CDBDHN Cc1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc([N+](=O)[O-])c1 ZINC000595260848 343014433 /nfs/dbraw/zinc/01/44/33/343014433.db2.gz MHRDTGVPZGHSDV-VXGBXAGGSA-N 0 3 281.287 1.415 20 5 CDBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596275358 343295097 /nfs/dbraw/zinc/29/50/97/343295097.db2.gz QWIOEVUTMJTSHU-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN CC[C@H](NCC1(CO)COC1)c1cccc([N+](=O)[O-])c1 ZINC000090644616 342396920 /nfs/dbraw/zinc/39/69/20/342396920.db2.gz FKIDIDVQSVGRBR-ZDUSSCGKSA-N 0 3 280.324 1.644 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598342458 343770880 /nfs/dbraw/zinc/77/08/80/343770880.db2.gz ISGBXGLPPFWTCN-GFCCVEGCSA-N 0 3 277.324 1.809 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598342889 343771244 /nfs/dbraw/zinc/77/12/44/343771244.db2.gz OLBPHAKUMJKYIE-SECBINFHSA-N 0 3 267.285 1.402 20 5 CDBDHN COC[C@@H](O)CCNCc1csc([N+](=O)[O-])c1 ZINC000231607061 362317616 /nfs/dbraw/zinc/31/76/16/362317616.db2.gz VMPZLZZTKKHJFP-VIFPVBQESA-N 0 3 260.315 1.143 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](CO)[C@H](CO)C1 ZINC000599530912 344076321 /nfs/dbraw/zinc/07/63/21/344076321.db2.gz CMFITBVRBLAGKG-SRVKXCTJSA-N 0 3 280.324 1.188 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CCCC[C@H]1O ZINC000602800992 344590747 /nfs/dbraw/zinc/59/07/47/344590747.db2.gz KJAXIYNYSFHNLB-CHWSQXEVSA-N 0 3 296.371 1.583 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCN(C)C1CC1 ZINC000602813688 344605278 /nfs/dbraw/zinc/60/52/78/344605278.db2.gz XBPPLSOHECECTH-UHFFFAOYSA-N 0 3 281.360 1.126 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@H]2CCCN(CCCO)C2)cs1 ZINC000295109284 199349810 /nfs/dbraw/zinc/34/98/10/199349810.db2.gz LLFMHMVRKZNRMF-LBPRGKRZSA-N 0 3 299.396 1.593 20 5 CDBDHN CC[C@@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609544792 345597322 /nfs/dbraw/zinc/59/73/22/345597322.db2.gz XTVHCDZFKDZCDC-CQSZACIVSA-N 0 3 296.323 1.617 20 5 CDBDHN CN(CCNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000609573121 345812930 /nfs/dbraw/zinc/81/29/30/345812930.db2.gz LPYUQBRXWBBNMZ-UHFFFAOYSA-N 0 3 292.339 1.488 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@@]1(OC)CCOC1 ZINC000160313113 345796573 /nfs/dbraw/zinc/79/65/73/345796573.db2.gz SZPWHMMNEWSTSE-AWEZNQCLSA-N 0 3 296.323 1.499 20 5 CDBDHN C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000617698466 345920980 /nfs/dbraw/zinc/92/09/80/345920980.db2.gz XJSKLKBSMRGKFE-GHMZBOCLSA-N 0 3 279.340 1.765 20 5 CDBDHN COCCN(C)CCNc1sccc1[N+](=O)[O-] ZINC000611412097 346779399 /nfs/dbraw/zinc/77/93/99/346779399.db2.gz GMDCGKNNIIEETC-UHFFFAOYSA-N 0 3 259.331 1.646 20 5 CDBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000611510291 346800896 /nfs/dbraw/zinc/80/08/96/346800896.db2.gz HMHXTXJJYNALCV-PWSUYJOCSA-N 0 3 262.313 1.520 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCn1cccn1 ZINC000111278982 186386200 /nfs/dbraw/zinc/38/62/00/186386200.db2.gz NUDKXPLJBZOZQF-UHFFFAOYSA-N 0 3 290.323 1.802 20 5 CDBDHN C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C ZINC000122579103 187039406 /nfs/dbraw/zinc/03/94/06/187039406.db2.gz GRMTUJYXYSUKPY-QWRGUYRKSA-N 0 3 252.318 1.769 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000264400590 366172105 /nfs/dbraw/zinc/17/21/05/366172105.db2.gz JLNNZLZHIXJTSH-SECBINFHSA-N 0 3 266.301 1.089 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000237030935 363448676 /nfs/dbraw/zinc/44/86/76/363448676.db2.gz SXJXVRFEKAPUSE-GWCFXTLKSA-N 0 3 294.355 1.496 20 5 CDBDHN C[C@H]1CCN[C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000127090079 356266474 /nfs/dbraw/zinc/26/64/74/356266474.db2.gz LJFQSODOXPOKKK-CMPLNLGQSA-N 0 3 277.324 1.599 20 5 CDBDHN COCCN1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000336906225 356785204 /nfs/dbraw/zinc/78/52/04/356785204.db2.gz XRMPFUUVFJGYRF-CQSZACIVSA-N 0 3 293.367 1.714 20 5 CDBDHN CN(C)C[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476196 357821719 /nfs/dbraw/zinc/82/17/19/357821719.db2.gz UMPXVMYAOGAFKA-GXFFZTMASA-N 0 3 279.340 1.094 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000286942565 358038429 /nfs/dbraw/zinc/03/84/29/358038429.db2.gz KCMZDDGXRPJPRQ-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCOCCO ZINC000337539793 358079735 /nfs/dbraw/zinc/07/97/35/358079735.db2.gz JQYTZXUEBLAPPD-RAXLEYEMSA-N 0 3 294.351 1.939 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000287239475 358348697 /nfs/dbraw/zinc/34/86/97/358348697.db2.gz WPQYNMNEUIYLAU-QMMMGPOBSA-N 0 3 267.289 1.061 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN(CCO)Cc2ccccc2)n1 ZINC000176208856 358737510 /nfs/dbraw/zinc/73/75/10/358737510.db2.gz NLXJMBJKBZPBSD-UHFFFAOYSA-N 0 3 290.323 1.286 20 5 CDBDHN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000019432589 359134825 /nfs/dbraw/zinc/13/48/25/359134825.db2.gz XPVYAFILUMDKKH-AATRIKPKSA-N 0 3 275.308 1.430 20 5 CDBDHN CSCC[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015944 359279724 /nfs/dbraw/zinc/27/97/24/359279724.db2.gz MKFKJHHYGLTQFT-JTQLQIEISA-N 0 3 283.353 1.291 20 5 CDBDHN CCN(C)CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000112926486 359365379 /nfs/dbraw/zinc/36/53/79/359365379.db2.gz JBMYITPJKJJJGX-UHFFFAOYSA-N 0 3 265.313 1.585 20 5 CDBDHN CC(C)[C@@]1(CO)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000339702143 359430865 /nfs/dbraw/zinc/43/08/65/359430865.db2.gz RYEOIBPYKSGOQH-AWEZNQCLSA-N 0 3 296.371 1.522 20 5 CDBDHN C[C@H]1NCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000514783987 360225456 /nfs/dbraw/zinc/22/54/56/360225456.db2.gz ZUJKIYGJHOTNBE-GHMZBOCLSA-N 0 3 292.339 1.487 20 5 CDBDHN Cc1ccc([C@@H](C)NCCN2CCNC2=O)cc1[N+](=O)[O-] ZINC000289758441 360946235 /nfs/dbraw/zinc/94/62/35/360946235.db2.gz HXZPNUZYEXXIGG-LLVKDONJSA-N 0 3 292.339 1.579 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572484314 360950394 /nfs/dbraw/zinc/95/03/94/360950394.db2.gz QCJXGNPGZHBYGX-MFKMUULPSA-N 0 3 295.339 1.463 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408468849 361203839 /nfs/dbraw/zinc/20/38/39/361203839.db2.gz RDWJROMJLPQOPS-YPMHNXCESA-N 0 3 275.308 1.371 20 5 CDBDHN CO[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000267649722 361256083 /nfs/dbraw/zinc/25/60/83/361256083.db2.gz KXHFGDIISMXPOE-ZDUSSCGKSA-N 0 3 266.297 1.694 20 5 CDBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000278073471 365484287 /nfs/dbraw/zinc/48/42/87/365484287.db2.gz XGKDLDUKZMUFAH-NSHDSACASA-N 0 3 292.339 1.670 20 5 CDBDHN C[C@@H](O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546616 367760861 /nfs/dbraw/zinc/76/08/61/367760861.db2.gz KEURAKIQVVMUHW-VXGBXAGGSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@]1(F)CNCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420335071 244101907 /nfs/dbraw/zinc/10/19/07/244101907.db2.gz OYIQZQGYCPHXSC-CQSZACIVSA-N 0 3 297.330 1.607 20 5 CDBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCNCC1 ZINC000422714535 245172877 /nfs/dbraw/zinc/17/28/77/245172877.db2.gz REHZIXYGRGEQLY-UHFFFAOYSA-N 0 3 293.323 1.429 20 5 CDBDHN CN(C)C1(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000419006638 374272169 /nfs/dbraw/zinc/27/21/69/374272169.db2.gz HYCKZKRELRSOKA-UHFFFAOYSA-N 0 3 254.265 1.635 20 5 CDBDHN CCS(=O)(=O)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000086973806 374408412 /nfs/dbraw/zinc/40/84/12/374408412.db2.gz PMDZVKYQICQONU-UHFFFAOYSA-N 0 3 286.353 1.509 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000080389723 374465154 /nfs/dbraw/zinc/46/51/54/374465154.db2.gz QTAUASWKJPEMSX-UHFFFAOYSA-N 0 3 281.312 1.237 20 5 CDBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000356901257 374596165 /nfs/dbraw/zinc/59/61/65/374596165.db2.gz XMXWZONDYLFPJF-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN NC(=O)C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000377603660 374611849 /nfs/dbraw/zinc/61/18/49/374611849.db2.gz HMMILZIZGPDLIO-LLVKDONJSA-N 0 3 293.323 1.171 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1CCCC1(C)C ZINC000331134808 374893939 /nfs/dbraw/zinc/89/39/39/374893939.db2.gz CEUBNQRJUUVQPJ-JTQLQIEISA-N 0 3 252.318 1.997 20 5 CDBDHN CC(=O)N1CCC[C@H](CNCc2ccccc2[N+](=O)[O-])C1 ZINC000279785315 374961916 /nfs/dbraw/zinc/96/19/16/374961916.db2.gz LUCNIXBJRIAYQA-CYBMUJFWSA-N 0 3 291.351 1.943 20 5 CDBDHN Cc1c(CN2C[C@@H](C)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000351795634 375330263 /nfs/dbraw/zinc/33/02/63/375330263.db2.gz OCGROWQYHJWIAX-NOZJJQNGSA-N 0 3 250.298 1.716 20 5 CDBDHN CC(COC(=O)[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496000875 375700432 /nfs/dbraw/zinc/70/04/32/375700432.db2.gz CRXLMKKHDMJRQT-SFYZADRCSA-N 0 3 276.289 1.108 20 5 CDBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000355343569 375792404 /nfs/dbraw/zinc/79/24/04/375792404.db2.gz ZBXMTIMIRXULEJ-UHFFFAOYSA-N 0 3 297.359 1.286 20 5 CDBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000355343569 375792406 /nfs/dbraw/zinc/79/24/06/375792406.db2.gz ZBXMTIMIRXULEJ-UHFFFAOYSA-N 0 3 297.359 1.286 20 5 CDBDHN CN(C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000357434876 375909140 /nfs/dbraw/zinc/90/91/40/375909140.db2.gz GPHHGUNUXXNIAW-LLVKDONJSA-N 0 3 283.353 1.537 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCO)CCCO ZINC000347375077 376056417 /nfs/dbraw/zinc/05/64/17/376056417.db2.gz ZAVYXUXJTZNPDO-JLHYYAGUSA-N 0 3 294.351 1.675 20 5 CDBDHN COc1cc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)ccn1 ZINC000347565008 376409383 /nfs/dbraw/zinc/40/93/83/376409383.db2.gz QFQHEUFVBLRYDD-JTQLQIEISA-N 0 3 291.311 1.546 20 5 CDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000245594368 378595080 /nfs/dbraw/zinc/59/50/80/378595080.db2.gz QZJWYOVAPZAXET-NEPJUHHUSA-N 0 3 279.340 1.877 20 5 CDBDHN CCc1ccc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000266950822 378885370 /nfs/dbraw/zinc/88/53/70/378885370.db2.gz SQBFXEKWSVWHEV-JTQLQIEISA-N 0 3 279.340 1.837 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC(n3ccnc3)CC2)c1 ZINC000174856351 379592448 /nfs/dbraw/zinc/59/24/48/379592448.db2.gz RNTAEOGRMOOMLC-UHFFFAOYSA-N 0 3 290.327 1.325 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000286916712 390815204 /nfs/dbraw/zinc/81/52/04/390815204.db2.gz HYMVSNKHBCMOFL-QMMMGPOBSA-N 0 3 291.311 1.151 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN1CCCN(C)CC1 ZINC000411154689 390965900 /nfs/dbraw/zinc/96/59/00/390965900.db2.gz LTGSDQMZYLUWKC-UHFFFAOYSA-N 0 3 279.340 1.741 20 5 CDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CCN(C2CC2)C1 ZINC000295735020 391126618 /nfs/dbraw/zinc/12/66/18/391126618.db2.gz RXYIRANTCYNKPR-JTQLQIEISA-N 0 3 292.339 1.479 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cc(F)ccc1[N+](=O)[O-] ZINC000366553300 391187565 /nfs/dbraw/zinc/18/75/65/391187565.db2.gz GTKRPBHEQPZABR-IUCAKERBSA-N 0 3 285.250 1.164 20 5 CDBDHN CC(C)[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000089307344 391998597 /nfs/dbraw/zinc/99/85/97/391998597.db2.gz RAKDEUHNGPYTIW-CQSZACIVSA-N 0 3 293.367 1.840 20 5 CDBDHN CN(C)CC(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459553609 392465722 /nfs/dbraw/zinc/46/57/22/392465722.db2.gz YPRICMYUJNBJKO-UHFFFAOYSA-N 0 3 294.355 1.124 20 5 CDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000549186053 392543905 /nfs/dbraw/zinc/54/39/05/392543905.db2.gz WWMJURWAPRMXEZ-SNVBAGLBSA-N 0 3 293.327 1.018 20 5 CDBDHN NC(=O)c1cc(N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000596091938 392621655 /nfs/dbraw/zinc/62/16/55/392621655.db2.gz QCERHSJPMQSJAW-SNVBAGLBSA-N 0 3 290.323 1.342 20 5 CDBDHN CC[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N(C)C ZINC000268735263 132057685 /nfs/dbraw/zinc/05/76/85/132057685.db2.gz NHEQZHXYEWLVMP-GFCCVEGCSA-N 0 3 294.355 1.463 20 5 CDBDHN Cc1c([C@H](C)N[C@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000268812992 132069826 /nfs/dbraw/zinc/06/98/26/132069826.db2.gz HOQNPRKLUVOZGM-QWRGUYRKSA-N 0 3 277.324 1.785 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000421699050 392942088 /nfs/dbraw/zinc/94/20/88/392942088.db2.gz ADUQNRYKSMQSPX-NSHDSACASA-N 0 3 277.324 1.761 20 5 CDBDHN CC(C)[C@@H]1CN(C)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000425488484 393025476 /nfs/dbraw/zinc/02/54/76/393025476.db2.gz XAPFCLJBNQVCEV-LBPRGKRZSA-N 0 3 281.360 1.063 20 5 CDBDHN COc1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc1[N+](=O)[O-] ZINC000429919582 393088520 /nfs/dbraw/zinc/08/85/20/393088520.db2.gz RLXZLRYWKNFVED-GFCCVEGCSA-N 0 3 295.339 1.593 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCn3ccnc3C2)cc1 ZINC000494414614 393231838 /nfs/dbraw/zinc/23/18/38/393231838.db2.gz WNUMKVSUIQBJQK-LBPRGKRZSA-N 0 3 272.308 1.896 20 5 CDBDHN CN(C)CCOCCNc1ncc([N+](=O)[O-])s1 ZINC000234276270 140229907 /nfs/dbraw/zinc/22/99/07/140229907.db2.gz MIAQRZFFCKUUEH-UHFFFAOYSA-N 0 3 260.319 1.041 20 5 CDBDHN CCCC[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000236745717 140243985 /nfs/dbraw/zinc/24/39/85/140243985.db2.gz RLDLDCOCJPOSHY-CYBMUJFWSA-N 0 3 294.355 1.640 20 5 CDBDHN Cc1cc(NC[C@H]2CNCCO2)c(F)cc1[N+](=O)[O-] ZINC000261606213 148979717 /nfs/dbraw/zinc/97/97/17/148979717.db2.gz RMHMNTDBTOGUCZ-SECBINFHSA-N 0 3 269.276 1.443 20 5 CDBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCCN1C ZINC000343483236 152197204 /nfs/dbraw/zinc/19/72/04/152197204.db2.gz UYXQDGMRVAPAGO-KOLCDFICSA-N 0 3 250.302 1.884 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000346183418 153088548 /nfs/dbraw/zinc/08/85/48/153088548.db2.gz CVZBHKDVDBNSFH-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](C)C1 ZINC000349878279 154253956 /nfs/dbraw/zinc/25/39/56/154253956.db2.gz VQJJXICXZXLEFH-UWVGGRQHSA-N 0 3 295.343 1.168 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@]1(CO)CCOC1 ZINC000350222008 154350526 /nfs/dbraw/zinc/35/05/26/154350526.db2.gz IGLVXPRHQKAPMT-MFBWXBCUSA-N 0 3 278.308 1.349 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@](O)(C3CC3)C2)c1 ZINC000373277107 160188491 /nfs/dbraw/zinc/18/84/91/160188491.db2.gz FQDUYMVLTLEVAD-HNNXBMFYSA-N 0 3 292.335 1.820 20 5 CDBDHN CO[C@@H](C)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373298829 160190474 /nfs/dbraw/zinc/19/04/74/160190474.db2.gz KYKFPGKLEGPTAD-JTQLQIEISA-N 0 3 268.317 1.463 20 5 CDBDHN CO[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000374690623 160308058 /nfs/dbraw/zinc/30/80/58/160308058.db2.gz APXJIVPKBPJZRD-LBPRGKRZSA-N 0 3 268.317 1.292 20 5 CDBDHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358711 196259927 /nfs/dbraw/zinc/25/99/27/196259927.db2.gz VNLNWWJZTWPLQC-GWNMQOMSSA-N 0 3 297.380 1.739 20 5 CDBDHN CNC(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044989131 175285881 /nfs/dbraw/zinc/28/58/81/175285881.db2.gz DPVQUIOFVFBZGI-SECBINFHSA-N 0 3 251.286 1.382 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCCC[C@@H]2CO)c1 ZINC000077761533 177299923 /nfs/dbraw/zinc/29/99/23/177299923.db2.gz VBLPZGAJQHEGCD-CYBMUJFWSA-N 0 3 280.324 1.820 20 5 CDBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000520348285 265775771 /nfs/dbraw/zinc/77/57/71/265775771.db2.gz OOGZDGJEAFKTBU-LLVKDONJSA-N 0 3 294.355 1.538 20 5 CDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000271734261 273792656 /nfs/dbraw/zinc/79/26/56/273792656.db2.gz NZFJDPKCBMELMA-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000287221206 276041683 /nfs/dbraw/zinc/04/16/83/276041683.db2.gz OPNDNTDMUQXGNR-QMMMGPOBSA-N 0 3 283.332 1.121 20 5 CDBDHN CCN1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342208132 276165092 /nfs/dbraw/zinc/16/50/92/276165092.db2.gz QBLRLKIWPTVDIQ-UHFFFAOYSA-N 0 3 292.339 1.226 20 5 CDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CCN1C ZINC000226775143 280102129 /nfs/dbraw/zinc/10/21/29/280102129.db2.gz QGPLRCWKRCOMGW-HTQZYQBOSA-N 0 3 256.331 1.946 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CC(N)=O ZINC000551679787 290012147 /nfs/dbraw/zinc/01/21/47/290012147.db2.gz CANFISBQHBNVEA-VHSXEESVSA-N 0 3 265.313 1.818 20 5 CDBDHN COC[C@](C)(O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000583316042 325149886 /nfs/dbraw/zinc/14/98/86/325149886.db2.gz QMAXINUNRCPAIH-LSDHHAIUSA-N 0 3 294.351 1.959 20 5 CDBDHN CC(C)N(C)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000049400101 519612625 /nfs/dbraw/zinc/61/26/25/519612625.db2.gz ZPNQRIHTYJSHEE-UHFFFAOYSA-N 0 3 265.313 1.551 20 5 CDBDHN CN(C)CCN(c1ncc([N+](=O)[O-])c(N)n1)C1CCCC1 ZINC000339968134 521756067 /nfs/dbraw/zinc/75/60/67/521756067.db2.gz RORBZXIHOBPVAZ-UHFFFAOYSA-N 0 3 294.359 1.108 20 5 CDBDHN C[C@@H](O)[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212834 525853116 /nfs/dbraw/zinc/85/31/16/525853116.db2.gz SXGURKCDJVPVLM-VXGBXAGGSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H](N[C@@H](CO)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000763069020 576708055 /nfs/dbraw/zinc/70/80/55/576708055.db2.gz NZCCAQSQSABUSO-SKDRFNHKSA-N 0 3 293.323 1.282 20 5 CDBDHN COc1cccc(CCNCC[N+](=O)[O-])c1OC ZINC000899871134 622496797 /nfs/dbraw/zinc/49/67/97/622496797.db2.gz OROGLXVTHGPFAT-UHFFFAOYSA-N 0 3 254.286 1.113 20 5 CDBDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)NCC[N+](=O)[O-] ZINC000905363830 626783766 /nfs/dbraw/zinc/78/37/66/626783766.db2.gz GUKRPHQJLPFQIZ-BXKDBHETSA-N 0 3 256.277 1.504 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CNC/C=C\Cl)c1 ZINC000905708738 626935389 /nfs/dbraw/zinc/93/53/89/626935389.db2.gz SNTZLRMNGHKYSX-SROOVFNMSA-N 0 3 286.715 1.677 20 5 CDBDHN CCOC(=O)c1cc(NCC2CN(C)C2)ccc1[N+](=O)[O-] ZINC001170259296 1162321368 /nfs/dbraw/zinc/32/13/68/1162321368.db2.gz UNVMRLLYRBFEJN-UHFFFAOYSA-N 0 3 293.323 1.745 20 5 CDBDHN C[C@H](Nc1cccc2ncc([N+](=O)[O-])n21)[C@H]1CNCCO1 ZINC001170577078 1162996269 /nfs/dbraw/zinc/99/62/69/1162996269.db2.gz XZAHMOMYTYWQHT-VHSXEESVSA-N 0 3 291.311 1.031 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(Cc3ccco3)CC2)C1 ZINC001169029703 1161997779 /nfs/dbraw/zinc/99/77/79/1161997779.db2.gz VGSHSDMUYAWCIX-ZIAGYGMSSA-N 0 3 293.367 1.843 20 5 CDBDHN C[NH2+]C[C@@H](C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604892385 1163370395 /nfs/dbraw/zinc/37/03/95/1163370395.db2.gz QCCJVDLQWKYVBU-MRVPVSSYSA-N 0 3 291.315 1.042 20 5 CDBDHN C[NH2+]C[C@@H](C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604892385 1163370404 /nfs/dbraw/zinc/37/04/04/1163370404.db2.gz QCCJVDLQWKYVBU-MRVPVSSYSA-N 0 3 291.315 1.042 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNC[C@@H](O)c2ccccc2F)c1 ZINC000819176657 1164196998 /nfs/dbraw/zinc/19/69/98/1164196998.db2.gz LWMMRNFUFOAIEX-CYBMUJFWSA-N 0 3 294.286 1.254 20 5 CDBDHN CCC[C@H](O)[C@H](CO)NCc1cccc([N+](=O)[O-])c1C ZINC000873130979 1165513971 /nfs/dbraw/zinc/51/39/71/1165513971.db2.gz NEFYZLSWJCXZTI-JSGCOSHPSA-N 0 3 282.340 1.515 20 5 CDBDHN C[C@]1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CNCCO1 ZINC001576516846 1171444496 /nfs/dbraw/zinc/44/44/96/1171444496.db2.gz UXOWZPUCMIXVMS-CYBMUJFWSA-N 0 3 294.311 1.095 20 5 CDBDHN Cc1c(CN[C@@H](C)[C@@H]2CN(C)CCO2)cccc1[N+](=O)[O-] ZINC000873081731 805025615 /nfs/dbraw/zinc/02/56/15/805025615.db2.gz PHNOZNQAVOWGKI-WFASDCNBSA-N 0 3 293.367 1.712 20 5 CDBDHN CCNC(=O)[C@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866217331 805037824 /nfs/dbraw/zinc/03/78/24/805037824.db2.gz XLKHAAJROBJRTD-UWVGGRQHSA-N 0 3 297.330 1.779 20 5 CDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813100665 813352075 /nfs/dbraw/zinc/35/20/75/813352075.db2.gz VEMTUOVDNOXBMZ-ZETCQYMHSA-N 0 3 268.225 1.725 20 5 CDBDHN CCn1c(=O)[nH]c2cc(C(=O)OCC(C)[N+](=O)[O-])ccc21 ZINC000851036583 814386844 /nfs/dbraw/zinc/38/68/44/814386844.db2.gz KPAKQMGEVQAGQS-QMMMGPOBSA-N 0 3 293.279 1.584 20 5 CDBDHN O=C(OCCC[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000860918908 814449564 /nfs/dbraw/zinc/44/95/64/814449564.db2.gz RNQFHZUJJPFNEP-UHFFFAOYSA-N 0 3 256.302 1.071 20 5 CDBDHN CC1(C)[C@H](NCc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000128571181 814483471 /nfs/dbraw/zinc/48/34/71/814483471.db2.gz CVKNLZGNRGIONQ-NEPJUHHUSA-N 0 3 268.288 1.983 20 5 CDBDHN CC(COC(=O)c1sc(N(C)C)nc1Cl)[N+](=O)[O-] ZINC000835457657 814513872 /nfs/dbraw/zinc/51/38/72/814513872.db2.gz XZLKQFFTSQQCLO-RXMQYKEDSA-N 0 3 293.732 1.685 20 5 CDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000813111953 814651565 /nfs/dbraw/zinc/65/15/65/814651565.db2.gz LUWYJJWJXMTJON-SSDOTTSWSA-N 0 3 284.224 1.425 20 5 CDBDHN CC[C@]1(O)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313120 814743663 /nfs/dbraw/zinc/74/36/63/814743663.db2.gz FYOZWAFCCGQQBD-GJZGRUSLSA-N 0 3 294.351 1.865 20 5 CDBDHN CC(COC(=O)Cc1cc2ccccc2[nH]c1=O)[N+](=O)[O-] ZINC000813103458 816777578 /nfs/dbraw/zinc/77/75/78/816777578.db2.gz BDWYMQSQKIUNMM-SECBINFHSA-N 0 3 290.275 1.691 20 5 CDBDHN CC(COC(=O)c1cn(-c2ccccc2)nn1)[N+](=O)[O-] ZINC000813102255 817047708 /nfs/dbraw/zinc/04/77/08/817047708.db2.gz CRZJMNFBXCLMEO-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN CCn1ncc(Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000857029459 817368883 /nfs/dbraw/zinc/36/88/83/817368883.db2.gz NCWKJYQUDBOQKY-ZCFIWIBFSA-N 0 3 261.665 1.378 20 5 CDBDHN CC(C)(C)OC(=O)N1CC[C@H](NCC[N+](=O)[O-])C1(C)C ZINC000930670357 817412218 /nfs/dbraw/zinc/41/22/18/817412218.db2.gz ZHSBNSZNCBQSLP-JTQLQIEISA-N 0 3 287.360 1.641 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(CCO)C2CC2)cc1 ZINC000776578183 817769548 /nfs/dbraw/zinc/76/95/48/817769548.db2.gz CGHOGFPEIASQTJ-ZDUSSCGKSA-N 0 3 266.297 1.085 20 5 CDBDHN C[C@@H](NC/C=C/CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506819 817898776 /nfs/dbraw/zinc/89/87/76/817898776.db2.gz CGQGHSMSZGSHGI-GKQMSVHHSA-N 0 3 251.286 1.376 20 5 CDBDHN CSCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123190916 914231151 /nfs/dbraw/zinc/23/11/51/914231151.db2.gz LLJJDFVZSFVOGY-UHFFFAOYSA-N 0 3 297.380 1.554 20 5 CDBDHN CO[C@@H]1COCC[C@H]1Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168194810 907850902 /nfs/dbraw/zinc/85/09/02/907850902.db2.gz MQQMFPJXQFDYRM-BXUZGUMPSA-N 0 3 293.323 1.414 20 5 CDBDHN Cc1cc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)nn1C ZINC001168973878 927597509 /nfs/dbraw/zinc/59/75/09/927597509.db2.gz PGRYLQSZYIMRTG-GHMZBOCLSA-N 0 3 252.318 1.264 20 5 CDBDHN Cc1cnc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)s1 ZINC001168988444 927627370 /nfs/dbraw/zinc/62/73/70/927627370.db2.gz SKMIYADTKHCZEM-VHSXEESVSA-N 0 3 255.343 1.987 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCCC3(C2)OCCO3)C1 ZINC001169038920 927649170 /nfs/dbraw/zinc/64/91/70/927649170.db2.gz LJTQYMRQHAWDJZ-RYUDHWBXSA-N 0 3 270.329 1.271 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC001169026593 927665682 /nfs/dbraw/zinc/66/56/82/927665682.db2.gz NBPWODJYOLMJBK-QLFBSQMISA-N 0 3 297.399 1.228 20 5 CDBDHN CCCNC(=O)[C@@H]1CCCCN1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026522 927666832 /nfs/dbraw/zinc/66/68/32/927666832.db2.gz LYJSBNKOXXHGII-RDBSUJKOSA-N 0 3 297.399 1.813 20 5 CDBDHN NCc1cnnn1-c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001169310235 927946014 /nfs/dbraw/zinc/94/60/14/927946014.db2.gz RCKCAQRYTYQACB-UHFFFAOYSA-N 0 3 288.189 1.048 20 5 CDBDHN C[C@H](Nc1cc(Cl)ncc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159498904 930308894 /nfs/dbraw/zinc/30/88/94/930308894.db2.gz RYVVDTJMOJRQIS-OIBJUYFYSA-N 0 3 286.719 1.432 20 5 CDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C(F)F ZINC001154051596 937497156 /nfs/dbraw/zinc/49/71/56/937497156.db2.gz FXSHCUGMQNGBHJ-UHFFFAOYSA-N 0 3 287.266 1.456 20 5 CDBDHN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001122951996 936087275 /nfs/dbraw/zinc/08/72/75/936087275.db2.gz XSPUDTRZGHQEES-BBBLOLIVSA-N 0 3 273.285 1.174 20 5 CDBDHN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1CNCCO1 ZINC001159488500 938731672 /nfs/dbraw/zinc/73/16/72/938731672.db2.gz DXCLJCRQNCVQPE-OIBJUYFYSA-N 0 3 286.719 1.432 20 5 CDBDHN COc1c(F)cc(-n2cnc(CN)c2)cc1[N+](=O)[O-] ZINC001162304269 938976666 /nfs/dbraw/zinc/97/66/66/938976666.db2.gz OLEYFQQTEMPRQJ-UHFFFAOYSA-N 0 3 266.232 1.387 20 5 CDBDHN Cc1nc(Cl)nc(N2CC(C)(N(C)C)C2)c1[N+](=O)[O-] ZINC001165116683 939511151 /nfs/dbraw/zinc/51/11/51/939511151.db2.gz JACDQRKZHWEHOR-UHFFFAOYSA-N 0 3 285.735 1.487 20 5 CDBDHN NCc1cn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254566464 947526992 /nfs/dbraw/zinc/52/69/92/947526992.db2.gz KIVQXAKUQFDFIZ-CYBMUJFWSA-N 0 3 258.281 1.590 20 5 CDBDHN CO[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1OC ZINC001254597341 947545059 /nfs/dbraw/zinc/54/50/59/947545059.db2.gz HOENBFYRXDVVRW-SOUVJXGZSA-N 0 3 292.335 1.408 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2noc([C@@H]3NC[C@@H]4C[C@@H]43)n2)cc1 ZINC001335381276 959756957 /nfs/dbraw/zinc/75/69/57/959756957.db2.gz JIROYEIQKHTFPZ-INTQDDNPSA-N 0 3 272.264 1.925 20 5 CDBDHN CC(COC(=O)c1cc2ncccc2o1)[N+](=O)[O-] ZINC001348532627 966044863 /nfs/dbraw/zinc/04/48/63/966044863.db2.gz GAWGJNFHRNGGPL-ZETCQYMHSA-N 0 3 250.210 1.650 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601266179 342547094 /nfs/dbraw/zinc/54/70/94/342547094.db2.gz KKYAOYPSOGSCJV-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264913158 398201838 /nfs/dbraw/zinc/20/18/38/398201838.db2.gz FWVXWPCROINFGW-VHSXEESVSA-N 0 3 278.312 1.232 20 5 CDBDHN CC[C@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000616865618 342568459 /nfs/dbraw/zinc/56/84/59/342568459.db2.gz YFUCNTAZPVYRMW-AWEZNQCLSA-N 0 3 293.323 1.692 20 5 CDBDHN C[C@@]1(O)CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000125008842 187165384 /nfs/dbraw/zinc/16/53/84/187165384.db2.gz NQLATRPDZOIERG-CQSZACIVSA-N 0 3 280.324 1.820 20 5 CDBDHN COc1ccc(CN(CCCO)C2CC2)cc1[N+](=O)[O-] ZINC000404275733 346843769 /nfs/dbraw/zinc/84/37/69/346843769.db2.gz DYCPWOTXCHIOPC-UHFFFAOYSA-N 0 3 280.324 1.950 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000592241428 342680769 /nfs/dbraw/zinc/68/07/69/342680769.db2.gz AZAGCEZQPJHHJD-CQSZACIVSA-N 0 3 291.351 1.973 20 5 CDBDHN C[C@@H](CO)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594501979 342914482 /nfs/dbraw/zinc/91/44/82/342914482.db2.gz ACGHQCOXOWXLFQ-BXKDBHETSA-N 0 3 250.298 1.800 20 5 CDBDHN C[C@@H](CO)[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000595678075 343129715 /nfs/dbraw/zinc/12/97/15/343129715.db2.gz QFKULKBFIDOATH-NWDGAFQWSA-N 0 3 282.344 1.274 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC[C@H]1O ZINC000453614750 252329161 /nfs/dbraw/zinc/32/91/61/252329161.db2.gz NJLFUOQMWGJEBH-CHWSQXEVSA-N 0 3 250.298 1.906 20 5 CDBDHN CC[N@H+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596109198 343229500 /nfs/dbraw/zinc/22/95/00/343229500.db2.gz LTNCUYPXCFWCCT-UHFFFAOYSA-N 0 3 266.301 1.592 20 5 CDBDHN CC[N@@H+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596109198 343229501 /nfs/dbraw/zinc/22/95/01/343229501.db2.gz LTNCUYPXCFWCCT-UHFFFAOYSA-N 0 3 266.301 1.592 20 5 CDBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596474747 343326117 /nfs/dbraw/zinc/32/61/17/343326117.db2.gz BUQCEUYVEZVDPQ-NSHDSACASA-N 0 3 294.355 1.773 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596278441 343296388 /nfs/dbraw/zinc/29/63/88/343296388.db2.gz MWDCSOCUJAEVPQ-LLVKDONJSA-N 0 3 292.339 1.224 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCN(c3ccncc3)CC2)nc1 ZINC000142333352 342434775 /nfs/dbraw/zinc/43/47/75/342434775.db2.gz WFAOQUCUGHRQQY-UHFFFAOYSA-N 0 3 286.295 1.106 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000598341997 343771106 /nfs/dbraw/zinc/77/11/06/343771106.db2.gz ATUKAJMPEKMWEM-SNVBAGLBSA-N 0 3 280.328 1.147 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN[C@H](C(C)C)C1 ZINC000598576616 343834376 /nfs/dbraw/zinc/83/43/76/343834376.db2.gz XTRYIOAFIATCLA-LBPRGKRZSA-N 0 3 291.351 1.973 20 5 CDBDHN Cc1c([C@@H](C)NCCN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599086103 343951465 /nfs/dbraw/zinc/95/14/65/343951465.db2.gz YWGWVMZUKTTXIJ-CHWSQXEVSA-N 0 3 293.367 1.620 20 5 CDBDHN CCN[C@@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602442274 344418210 /nfs/dbraw/zinc/41/82/10/344418210.db2.gz KEBSHBPPWJOOBA-UWVGGRQHSA-N 0 3 265.313 1.770 20 5 CDBDHN CO[C@@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602804106 344592765 /nfs/dbraw/zinc/59/27/65/344592765.db2.gz IGMVGDZILATFSN-GFCCVEGCSA-N 0 3 282.344 1.601 20 5 CDBDHN CCOC[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778709 344595345 /nfs/dbraw/zinc/59/53/45/344595345.db2.gz NJMFJEBKIQOUBO-LBPRGKRZSA-N 0 3 282.344 1.458 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCO[C@H](C(C)C)C1 ZINC000602830260 344613839 /nfs/dbraw/zinc/61/38/39/344613839.db2.gz BMWCFTCRBDHSET-ZDUSSCGKSA-N 0 3 296.371 1.847 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)(C)C1 ZINC000602788485 344600478 /nfs/dbraw/zinc/60/04/78/344600478.db2.gz YLTWPLXUTIPIJP-UHFFFAOYSA-N 0 3 252.318 1.832 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344041574 362540339 /nfs/dbraw/zinc/54/03/39/362540339.db2.gz WKQZWWAAEGXKHH-SCRDCRAPSA-N 0 3 292.335 1.676 20 5 CDBDHN CC(C)N1CC[C@H](NCCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000610480772 346290154 /nfs/dbraw/zinc/29/01/54/346290154.db2.gz VOSJQHPYIKDRBJ-AWEZNQCLSA-N 0 3 291.351 1.736 20 5 CDBDHN C[C@H](NC1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000382949946 362695991 /nfs/dbraw/zinc/69/59/91/362695991.db2.gz LJLCUCBQWBDBGB-VIFPVBQESA-N 0 3 263.297 1.352 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@H]1CCN(C2CC2)C1 ZINC000037404459 346353591 /nfs/dbraw/zinc/35/35/91/346353591.db2.gz PKEKQNRBTNVMOJ-SNVBAGLBSA-N 0 3 262.313 1.886 20 5 CDBDHN Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000037881812 346369828 /nfs/dbraw/zinc/36/98/28/346369828.db2.gz SGKKPUJQTAIZQA-AWEZNQCLSA-N 0 3 290.323 1.250 20 5 CDBDHN CN(C)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCC1 ZINC000053152409 346379322 /nfs/dbraw/zinc/37/93/22/346379322.db2.gz XDMDNYCRFOUBSV-UHFFFAOYSA-N 0 3 294.355 1.869 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H]3CCC[C@H]32)c1 ZINC000610762682 346398622 /nfs/dbraw/zinc/39/86/22/346398622.db2.gz NXSMNHXKKHVNHF-NJZAAPMLSA-N 0 3 292.335 1.819 20 5 CDBDHN Cc1ccc([C@@H](C)NCCC(N)=O)cc1[N+](=O)[O-] ZINC000036746842 362937097 /nfs/dbraw/zinc/93/70/97/362937097.db2.gz JPQMXLXHYUSXRS-SECBINFHSA-N 0 3 251.286 1.429 20 5 CDBDHN Cc1cc(C(=O)NC[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC000108903484 186235184 /nfs/dbraw/zinc/23/51/84/186235184.db2.gz BHVNRSQSXSINND-LLVKDONJSA-N 0 3 277.324 1.585 20 5 CDBDHN CNC(=O)CCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154926379 188170931 /nfs/dbraw/zinc/17/09/31/188170931.db2.gz JOYSTRKYUJLFDA-ZDUSSCGKSA-N 0 3 295.339 1.086 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)C2CCOCC2)c(F)c1 ZINC000359867536 356428966 /nfs/dbraw/zinc/42/89/66/356428966.db2.gz CKHHITPPEYCINW-AWEZNQCLSA-N 0 3 298.314 1.611 20 5 CDBDHN CC[C@@H](NC(=O)[C@@H](N)CC)c1cccc([N+](=O)[O-])c1 ZINC000236942916 357470920 /nfs/dbraw/zinc/47/09/20/357470920.db2.gz SIRGTEACZWDVPK-NWDGAFQWSA-N 0 3 265.313 1.899 20 5 CDBDHN C[C@H]1CCNC(=O)[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000193581009 358305366 /nfs/dbraw/zinc/30/53/66/358305366.db2.gz WEIVIIZUAMWZGY-GWCFXTLKSA-N 0 3 293.323 1.088 20 5 CDBDHN CO[C@H]1COCC[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000449450302 358807403 /nfs/dbraw/zinc/80/74/03/358807403.db2.gz BBNZVOXPVNEOEX-JSGCOSHPSA-N 0 3 280.324 1.736 20 5 CDBDHN Nc1ccc(C(=O)NCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000047139869 359174689 /nfs/dbraw/zinc/17/46/89/359174689.db2.gz WMIMQDPVZSNXAU-UHFFFAOYSA-N 0 3 292.339 1.393 20 5 CDBDHN COC[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000569941169 359270681 /nfs/dbraw/zinc/27/06/81/359270681.db2.gz LRZYLGGNRPVWKU-ZWNOBZJWSA-N 0 3 280.324 1.833 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000054131590 359424485 /nfs/dbraw/zinc/42/44/85/359424485.db2.gz APGZGULAZRSFNR-UHFFFAOYSA-N 0 3 285.731 1.930 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049956562 359527159 /nfs/dbraw/zinc/52/71/59/359527159.db2.gz FOGIAEJQMBSYAM-NSHDSACASA-N 0 3 292.339 1.391 20 5 CDBDHN CSC[C@](C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000217842710 360110147 /nfs/dbraw/zinc/11/01/47/360110147.db2.gz UYILOPXHORACPC-SNVBAGLBSA-N 0 3 276.383 1.860 20 5 CDBDHN COc1ccc(CNC[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000176751762 189007726 /nfs/dbraw/zinc/00/77/26/189007726.db2.gz FYHHYLCDLHFCRA-CYBMUJFWSA-N 0 3 298.364 1.561 20 5 CDBDHN CN1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358328733 360960037 /nfs/dbraw/zinc/96/00/37/360960037.db2.gz JYUWGVDEMHFICP-GFCCVEGCSA-N 0 3 285.731 1.727 20 5 CDBDHN Cc1n[nH]c(C(=O)N[C@H](C)C2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000272748102 239038323 /nfs/dbraw/zinc/03/83/23/239038323.db2.gz DOTSMQLMEMRBRZ-MRVPVSSYSA-N 0 3 293.327 1.007 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000268178029 364393428 /nfs/dbraw/zinc/39/34/28/364393428.db2.gz SAYZXCVHJIPVTD-JOYOIKCWSA-N 0 3 262.313 1.884 20 5 CDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000272239889 367566775 /nfs/dbraw/zinc/56/67/75/367566775.db2.gz XFHVKBLMGCPMRF-SNVBAGLBSA-N 0 3 295.339 1.990 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCN1CCCC1 ZINC000330539101 202944109 /nfs/dbraw/zinc/94/41/09/202944109.db2.gz RCHWKRORVOGEHO-UHFFFAOYSA-N 0 3 292.339 1.466 20 5 CDBDHN CCCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330615233 203041407 /nfs/dbraw/zinc/04/14/07/203041407.db2.gz TYDSHGPESLPMNK-JTQLQIEISA-N 0 3 280.328 1.527 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCCN1C ZINC000420634090 244300235 /nfs/dbraw/zinc/30/02/35/244300235.db2.gz KJBZIYZUBISYBP-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668491 369783265 /nfs/dbraw/zinc/78/32/65/369783265.db2.gz TZCLLLGUSFWXGE-CABZTGNLSA-N 0 3 265.313 1.584 20 5 CDBDHN CC[C@H](CO)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000295705908 370581493 /nfs/dbraw/zinc/58/14/93/370581493.db2.gz MVQCYJPROYGTKU-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN N[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1F ZINC001580395512 1172422067 /nfs/dbraw/zinc/42/20/67/1172422067.db2.gz PDCOLSMMXRSQRQ-BXKDBHETSA-N 0 3 289.257 1.744 20 5 CDBDHN CC[C@@H](NC(=O)[C@@H](C)N)c1cccc([N+](=O)[O-])c1 ZINC000120794519 372793097 /nfs/dbraw/zinc/79/30/97/372793097.db2.gz YOIPJLDTHUJIGV-LDYMZIIASA-N 0 3 251.286 1.509 20 5 CDBDHN C[C@@H](O)CCN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675462 373627297 /nfs/dbraw/zinc/62/72/97/373627297.db2.gz PBKWJDKAPVUJIS-ZWNOBZJWSA-N 0 3 268.313 1.331 20 5 CDBDHN C[C@@H]1CNCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420178815 374291312 /nfs/dbraw/zinc/29/13/12/374291312.db2.gz UWKMVXZVYVBRGH-SECBINFHSA-N 0 3 289.295 1.443 20 5 CDBDHN CC[C@](C)(CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000080897057 374483771 /nfs/dbraw/zinc/48/37/71/374483771.db2.gz SODDTFHAWMSARP-CYBMUJFWSA-N 0 3 268.313 1.854 20 5 CDBDHN CCN1C[C@@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449523665 374819302 /nfs/dbraw/zinc/81/93/02/374819302.db2.gz YYKVNIBJSGYQIR-YPMHNXCESA-N 0 3 291.351 1.736 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000331232370 374910685 /nfs/dbraw/zinc/91/06/85/374910685.db2.gz AQHANNWUEAQKNO-LLVKDONJSA-N 0 3 295.314 1.900 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347256224 374988129 /nfs/dbraw/zinc/98/81/29/374988129.db2.gz IOBHHBXFPNRQOV-LLVKDONJSA-N 0 3 296.302 1.950 20 5 CDBDHN CC[C@@H](O)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000304508310 375458012 /nfs/dbraw/zinc/45/80/12/375458012.db2.gz HKWHNUURSBUOFY-CHWSQXEVSA-N 0 3 282.344 1.417 20 5 CDBDHN CCN(CC)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000049092619 375402154 /nfs/dbraw/zinc/40/21/54/375402154.db2.gz XJJYLXAVRJTZRN-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN C[C@@H](O)C[C@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000269849033 375819746 /nfs/dbraw/zinc/81/97/46/375819746.db2.gz SXXJKIDZIMJBDQ-GHMZBOCLSA-N 0 3 268.317 1.027 20 5 CDBDHN O=C(CNC[C@@H]1CCCO1)Nc1cccc([N+](=O)[O-])c1 ZINC000232740126 377215048 /nfs/dbraw/zinc/21/50/48/377215048.db2.gz JKYZXEPYIXAQRM-LBPRGKRZSA-N 0 3 279.296 1.302 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2CO)c1 ZINC000069808328 378833297 /nfs/dbraw/zinc/83/32/97/378833297.db2.gz AUEPRFSVRNLXOQ-LBPRGKRZSA-N 0 3 266.297 1.430 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173724905 378988813 /nfs/dbraw/zinc/98/88/13/378988813.db2.gz IDDOIIKNHLQUOO-UHFFFAOYSA-N 0 3 265.313 1.585 20 5 CDBDHN CN(CCn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000278615346 194069919 /nfs/dbraw/zinc/06/99/19/194069919.db2.gz SBBSSOHOHAVFSG-UHFFFAOYSA-N 0 3 261.285 1.318 20 5 CDBDHN CCN1CCC(N(C)c2ncc([N+](=O)[O-])s2)CC1 ZINC000443437647 250029179 /nfs/dbraw/zinc/02/91/79/250029179.db2.gz PDYHBXBQUNQKRU-UHFFFAOYSA-N 0 3 270.358 1.972 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN(C)C1CC1 ZINC000288191716 197023402 /nfs/dbraw/zinc/02/34/02/197023402.db2.gz RXGFWGMQLHVLDZ-UHFFFAOYSA-N 0 3 267.333 1.626 20 5 CDBDHN CC[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449779600 251016021 /nfs/dbraw/zinc/01/60/21/251016021.db2.gz UFQZOPROEMBXPW-CMPLNLGQSA-N 0 3 279.340 1.640 20 5 CDBDHN Cc1nc(N[C@@H]2CCCN(C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450435724 251282618 /nfs/dbraw/zinc/28/26/18/251282618.db2.gz IDSXQOUFLKRVNY-NXEZZACHSA-N 0 3 265.317 1.588 20 5 CDBDHN CC[C@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000491075581 253060907 /nfs/dbraw/zinc/06/09/07/253060907.db2.gz CDMXONCSVDWTHV-NSHDSACASA-N 0 3 265.313 1.683 20 5 CDBDHN CO[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000281819780 195395753 /nfs/dbraw/zinc/39/57/53/195395753.db2.gz WUPZKWAOPDTHKE-CMPLNLGQSA-N 0 3 268.317 1.291 20 5 CDBDHN CC[C@@](C)(NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000177135534 391020780 /nfs/dbraw/zinc/02/07/80/391020780.db2.gz XHNIULRKVFZPIE-CYBMUJFWSA-N 0 3 281.312 1.217 20 5 CDBDHN CC1(C)CN(CCn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@@H]21 ZINC000452112988 391044852 /nfs/dbraw/zinc/04/48/52/391044852.db2.gz ZFKCVKUSTVRCFA-NWDGAFQWSA-N 0 3 280.328 1.148 20 5 CDBDHN CN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411163593 391401615 /nfs/dbraw/zinc/40/16/15/391401615.db2.gz OFOYLXHZPVQTQH-QWHCGFSZSA-N 0 3 277.324 1.376 20 5 CDBDHN CCOC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268973550 391476232 /nfs/dbraw/zinc/47/62/32/391476232.db2.gz INSZDWGWWQRORQ-DGCLKSJQSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190814130 533657391 /nfs/dbraw/zinc/65/73/91/533657391.db2.gz NYGPFWHICODVBC-WDEREUQCSA-N 0 3 268.313 1.158 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCN1C ZINC000192531064 130464823 /nfs/dbraw/zinc/46/48/23/130464823.db2.gz ZXQMWZAUECBDDF-SNVBAGLBSA-N 0 3 267.333 1.626 20 5 CDBDHN CC[C@@](C)(NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000133201168 391919990 /nfs/dbraw/zinc/91/99/90/391919990.db2.gz JKKHHAHHZFDHNY-CYBMUJFWSA-N 0 3 281.312 1.217 20 5 CDBDHN CN(C)C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000416289468 391983220 /nfs/dbraw/zinc/98/32/20/391983220.db2.gz JQNAFQLRCDWXQR-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416286642 391981349 /nfs/dbraw/zinc/98/13/49/391981349.db2.gz BDEKTKJIHNCCBN-UHFFFAOYSA-N 0 3 263.297 1.419 20 5 CDBDHN C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000237429781 131030514 /nfs/dbraw/zinc/03/05/14/131030514.db2.gz HRZJTUSJWVOFLH-GHMZBOCLSA-N 0 3 293.323 1.182 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262765957 131260418 /nfs/dbraw/zinc/26/04/18/131260418.db2.gz JFMGKJHCFLTSOK-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@H]1[C@H](CO)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717184 392721938 /nfs/dbraw/zinc/72/19/38/392721938.db2.gz KUIZWLDHNFPYGW-RYUDHWBXSA-N 0 3 280.324 1.676 20 5 CDBDHN CN(C)C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000419012349 392885579 /nfs/dbraw/zinc/88/55/79/392885579.db2.gz WCZBWAPGZXOQRG-UHFFFAOYSA-N 0 3 287.323 1.466 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000524720979 392919549 /nfs/dbraw/zinc/91/95/49/392919549.db2.gz UQXMOGLSLZQLBL-LLVKDONJSA-N 0 3 277.324 1.666 20 5 CDBDHN CC[C@H](N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000269052629 132104379 /nfs/dbraw/zinc/10/43/79/132104379.db2.gz DHFOYHAPGJRGCF-NSHDSACASA-N 0 3 294.355 1.559 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)C(C)C ZINC000430195282 393090896 /nfs/dbraw/zinc/09/08/96/393090896.db2.gz OFPZHHRDPZJLIU-GFCCVEGCSA-N 0 3 268.313 1.710 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080413 393065758 /nfs/dbraw/zinc/06/57/58/393065758.db2.gz WRBGGPFLCBLPQM-BXKDBHETSA-N 0 3 292.339 1.146 20 5 CDBDHN C[C@H](NC[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000224472582 140173391 /nfs/dbraw/zinc/17/33/91/140173391.db2.gz CMYPPVYYOJQTDB-OIBJUYFYSA-N 0 3 260.240 1.871 20 5 CDBDHN COc1cccc(CN(C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000266033314 397608227 /nfs/dbraw/zinc/60/82/27/397608227.db2.gz SNVDDNKWRMXWBU-UHFFFAOYSA-N 0 3 290.323 1.932 20 5 CDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)C)c1 ZINC000346226943 153105494 /nfs/dbraw/zinc/10/54/94/153105494.db2.gz POKKXLJDLFMTHK-SECBINFHSA-N 0 3 297.380 1.997 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1C1CCOCC1 ZINC000348923503 154007874 /nfs/dbraw/zinc/00/78/74/154007874.db2.gz WVZMVTSJQAJULU-GFCCVEGCSA-N 0 3 294.355 1.719 20 5 CDBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000284887059 196151613 /nfs/dbraw/zinc/15/16/13/196151613.db2.gz QXLSRTGGGHLMOB-MWLCHTKSSA-N 0 3 263.297 1.148 20 5 CDBDHN Cc1ccc(NC(=O)CNC(C)C)cc1[N+](=O)[O-] ZINC000037386061 173169215 /nfs/dbraw/zinc/16/92/15/173169215.db2.gz NLGCIGUNIKLALV-UHFFFAOYSA-N 0 3 251.286 1.840 20 5 CDBDHN Cc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000037894996 270224559 /nfs/dbraw/zinc/22/45/59/270224559.db2.gz DALROYPTCFZWJD-AWEZNQCLSA-N 0 3 290.323 1.250 20 5 CDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000270939623 273792671 /nfs/dbraw/zinc/79/26/71/273792671.db2.gz ZRARKIBBKSTQLQ-UHFFFAOYSA-N 0 3 266.257 1.253 20 5 CDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000270411800 274186577 /nfs/dbraw/zinc/18/65/77/274186577.db2.gz XPJHRHLQVXKTGG-QWRGUYRKSA-N 0 3 282.369 1.472 20 5 CDBDHN CN1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000411149057 277051964 /nfs/dbraw/zinc/05/19/64/277051964.db2.gz OYCHIPHFPJBDCX-UHFFFAOYSA-N 0 3 267.304 1.871 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N(C)C ZINC000449282341 278298651 /nfs/dbraw/zinc/29/86/51/278298651.db2.gz GPJQTTBUEVIBTI-QWRGUYRKSA-N 0 3 279.340 1.592 20 5 CDBDHN CCN(C)CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173725709 279029677 /nfs/dbraw/zinc/02/96/77/279029677.db2.gz KWPYCVJXQQHNEA-UHFFFAOYSA-N 0 3 265.313 1.205 20 5 CDBDHN Cc1cccc(OC[C@@H](O)CN(C)C2CC2)c1[N+](=O)[O-] ZINC000290531922 281250245 /nfs/dbraw/zinc/25/02/45/281250245.db2.gz DJVZRPDPRLZPSM-LBPRGKRZSA-N 0 3 280.324 1.737 20 5 CDBDHN Cc1cc(C(=O)NCCN2CCCC2)cc([N+](=O)[O-])c1 ZINC000147364079 289067630 /nfs/dbraw/zinc/06/76/30/289067630.db2.gz ZVNIXKMVALNVGM-UHFFFAOYSA-N 0 3 277.324 1.729 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCn2cnnc2C2CC2)cc1 ZINC000156218646 289260222 /nfs/dbraw/zinc/26/02/22/289260222.db2.gz PPRJOAMVMHYBOY-UHFFFAOYSA-N 0 3 287.323 1.854 20 5 CDBDHN C[C@H](CN1CCOCC1)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000036933008 298646307 /nfs/dbraw/zinc/64/63/07/298646307.db2.gz IJEFIICDPMQJNU-CHWSQXEVSA-N 0 3 293.367 1.966 20 5 CDBDHN COC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000183484660 522355235 /nfs/dbraw/zinc/35/52/35/522355235.db2.gz PPWCNHFWEGCASW-ZIAGYGMSSA-N 0 3 280.324 1.643 20 5 CDBDHN C[C@@H](CN(C)CCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000183962596 524575040 /nfs/dbraw/zinc/57/50/40/524575040.db2.gz MVXZLHJGVLSWEF-JTQLQIEISA-N 0 3 295.368 1.983 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@H](CO)c2ccccc2)n1 ZINC000183636721 527406529 /nfs/dbraw/zinc/40/65/29/527406529.db2.gz CVTZGCANWSCAMP-GFCCVEGCSA-N 0 3 276.296 1.115 20 5 CDBDHN COc1ccc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262842798 536725523 /nfs/dbraw/zinc/72/55/23/536725523.db2.gz XPABOMLDOZRYQJ-UWVGGRQHSA-N 0 3 293.323 1.426 20 5 CDBDHN Cc1c(CN[C@@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000136122378 538716625 /nfs/dbraw/zinc/71/66/25/538716625.db2.gz ASYYNBXCSUXHFV-QMMMGPOBSA-N 0 3 251.286 1.257 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCCO)C2CC2)c1 ZINC000750074570 576973812 /nfs/dbraw/zinc/97/38/12/576973812.db2.gz IHASMJBYMWUTJE-CQSZACIVSA-N 0 3 280.324 1.475 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)CS2)[N+](=O)[O-] ZINC000813113347 617347295 /nfs/dbraw/zinc/34/72/95/617347295.db2.gz ZDCZHCVYBUYVCT-ZETCQYMHSA-N 0 3 296.304 1.553 20 5 CDBDHN CC(COC(=O)c1c2c(nn1C)CCCC2)[N+](=O)[O-] ZINC000893045417 618093653 /nfs/dbraw/zinc/09/36/53/618093653.db2.gz WDXSUYSWMQUZFF-QMMMGPOBSA-N 0 3 267.285 1.121 20 5 CDBDHN CC(COC(=O)[C@@H]1CCN(C)c2ccccc21)[N+](=O)[O-] ZINC000893045455 618093944 /nfs/dbraw/zinc/09/39/44/618093944.db2.gz XSVVIRHBINXVIS-CMPLNLGQSA-N 0 3 278.308 1.819 20 5 CDBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893936082 618195604 /nfs/dbraw/zinc/19/56/04/618195604.db2.gz VEFSWYLUQUCHCZ-NOZJJQNGSA-N 0 3 292.295 1.643 20 5 CDBDHN CN1C[C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000893941177 618205076 /nfs/dbraw/zinc/20/50/76/618205076.db2.gz RNICULWTRHKXQU-TVQRCGJNSA-N 0 3 265.288 1.874 20 5 CDBDHN CC(C)(C)OC(=O)N1CCC[C@H](NCC[N+](=O)[O-])C1 ZINC000905119119 626630617 /nfs/dbraw/zinc/63/06/17/626630617.db2.gz ZYNUXUIBRRJOSK-JTQLQIEISA-N 0 3 273.333 1.252 20 5 CDBDHN COc1ccc(C[C@@H](C)NCC[N+](=O)[O-])cc1OC ZINC000905094144 626636092 /nfs/dbraw/zinc/63/60/92/626636092.db2.gz DEKZZSFAPCKDDG-SNVBAGLBSA-N 0 3 268.313 1.501 20 5 CDBDHN CC[C@@H](C)N[C@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905294826 626723980 /nfs/dbraw/zinc/72/39/80/626723980.db2.gz LIJLVARBGUMTSH-GHMZBOCLSA-N 0 3 255.318 1.575 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000794578321 1164497457 /nfs/dbraw/zinc/49/74/57/1164497457.db2.gz YBSSDGPPTLFJAU-JQWIXIFHSA-N 0 3 295.314 1.738 20 5 CDBDHN COCC[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052808104 1166816989 /nfs/dbraw/zinc/81/69/89/1166816989.db2.gz NEFWPUAOTUVKSN-CABZTGNLSA-N 0 3 281.312 1.136 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCNC[C@H]1F ZINC001579734348 1172251037 /nfs/dbraw/zinc/25/10/37/1172251037.db2.gz PKSZMJLSBRPYAE-VXGBXAGGSA-N 0 3 281.287 1.333 20 5 CDBDHN C[C@H]1CC[N@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603912898 1175683025 /nfs/dbraw/zinc/68/30/25/1175683025.db2.gz UBHDOEWFUUYGPR-VIFPVBQESA-N 0 3 288.311 1.617 20 5 CDBDHN C[C@H]1CC[N@@H+](Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001603912898 1175683028 /nfs/dbraw/zinc/68/30/28/1175683028.db2.gz UBHDOEWFUUYGPR-VIFPVBQESA-N 0 3 288.311 1.617 20 5 CDBDHN C[C@H]1CC[N@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603912898 1175683031 /nfs/dbraw/zinc/68/30/31/1175683031.db2.gz UBHDOEWFUUYGPR-VIFPVBQESA-N 0 3 288.311 1.617 20 5 CDBDHN C[C@H]1CC[N@@H+](Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001603912898 1175683034 /nfs/dbraw/zinc/68/30/34/1175683034.db2.gz UBHDOEWFUUYGPR-VIFPVBQESA-N 0 3 288.311 1.617 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCCn1cncn1 ZINC000873025586 1165503825 /nfs/dbraw/zinc/50/38/25/1165503825.db2.gz CMWLKZMEPUTSIE-UHFFFAOYSA-N 0 3 275.312 1.593 20 5 CDBDHN CC(COC(=O)C[C@@H]1C(=O)Nc2ccccc21)[N+](=O)[O-] ZINC000813102985 818944200 /nfs/dbraw/zinc/94/42/00/818944200.db2.gz XAUHJVKPJCDMHN-SCZZXKLOSA-N 0 3 278.264 1.321 20 5 CDBDHN C[C@@H](CCO)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844446030 818978642 /nfs/dbraw/zinc/97/86/42/818978642.db2.gz BKBPPJHDOQVROL-GXFFZTMASA-N 0 3 268.313 1.331 20 5 CDBDHN CC(COC(=O)c1nn(C)c2ccccc12)[N+](=O)[O-] ZINC000860777674 819014477 /nfs/dbraw/zinc/01/44/77/819014477.db2.gz SNLWKSNPSZTCNX-MRVPVSSYSA-N 0 3 263.253 1.395 20 5 CDBDHN CCOCCN(CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154174890 819614947 /nfs/dbraw/zinc/61/49/47/819614947.db2.gz HKHABDBDIZMYNF-AWEZNQCLSA-N 0 3 282.340 1.987 20 5 CDBDHN CN(C)C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000119667486 819727523 /nfs/dbraw/zinc/72/75/23/819727523.db2.gz VMLYJQXLPRXDIR-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN CC(=O)N1C[C@H]2CN(Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000821328254 820079915 /nfs/dbraw/zinc/07/99/15/820079915.db2.gz GICSQOSRZAOULG-OKILXGFUSA-N 0 3 289.335 1.505 20 5 CDBDHN CCc1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000819054612 820226153 /nfs/dbraw/zinc/22/61/53/820226153.db2.gz QRXJGNBPBJCZBO-CQSZACIVSA-N 0 3 290.323 1.704 20 5 CDBDHN CCc1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000819054612 820226203 /nfs/dbraw/zinc/22/62/03/820226203.db2.gz QRXJGNBPBJCZBO-CQSZACIVSA-N 0 3 290.323 1.704 20 5 CDBDHN CC(COC(=O)c1cccc(NC(=O)C2CC2)c1)[N+](=O)[O-] ZINC000813105144 820522185 /nfs/dbraw/zinc/52/21/85/820522185.db2.gz KBCQYPQCMKXZNH-VIFPVBQESA-N 0 3 292.291 1.857 20 5 CDBDHN CCC1(O)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589463 820847480 /nfs/dbraw/zinc/84/74/80/820847480.db2.gz SKWYCEJFHJEUAT-CQSZACIVSA-N 0 3 294.351 1.865 20 5 CDBDHN CC(COC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)[N+](=O)[O-] ZINC000813105935 821396052 /nfs/dbraw/zinc/39/60/52/821396052.db2.gz VRHZAYXVZHHYPQ-VIFPVBQESA-N 0 3 295.295 1.073 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)CCC(=O)N2)[N+](=O)[O-] ZINC000813115180 822227592 /nfs/dbraw/zinc/22/75/92/822227592.db2.gz MBHOURAANHRSAV-MRVPVSSYSA-N 0 3 278.264 1.393 20 5 CDBDHN CO[C@@H](CC(=O)OCC(C)[N+](=O)[O-])C(F)(F)F ZINC000845574817 822399446 /nfs/dbraw/zinc/39/94/46/822399446.db2.gz DDBGBYQKHALCCZ-WDSKDSINSA-N 0 3 259.180 1.162 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1OC1CCN(C)CC1 ZINC001225446510 902746797 /nfs/dbraw/zinc/74/67/97/902746797.db2.gz BSCRZGXEIPEIFF-UHFFFAOYSA-N 0 3 294.307 1.854 20 5 CDBDHN O=C(OC[C@@H]1CCCN1Cc1ccco1)[C@@H]1CC1[N+](=O)[O-] ZINC000842326143 909735300 /nfs/dbraw/zinc/73/53/00/909735300.db2.gz GLKQCWAQWAQMOR-CYZMBNFOSA-N 0 3 294.307 1.452 20 5 CDBDHN CNC(=O)CN(C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907747 912039612 /nfs/dbraw/zinc/03/96/12/912039612.db2.gz HWPRWJQHWQNNSZ-CYBMUJFWSA-N 0 3 291.351 1.520 20 5 CDBDHN CCCOCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001124444229 936316859 /nfs/dbraw/zinc/31/68/59/936316859.db2.gz IVBJRMJAOMTXER-UHFFFAOYSA-N 0 3 295.339 1.227 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CC=CC1 ZINC001125129294 936352215 /nfs/dbraw/zinc/35/22/15/936352215.db2.gz PNJSTZHBDIGQHI-UHFFFAOYSA-N 0 3 289.335 1.767 20 5 CDBDHN CO[C@@H](Cc1ccccc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453932 936734456 /nfs/dbraw/zinc/73/44/56/936734456.db2.gz IKQWZMRCOHCDAR-JQWIXIFHSA-N 0 3 267.281 1.453 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3cnccn3)CC2)C1 ZINC001169005765 927609222 /nfs/dbraw/zinc/60/92/22/927609222.db2.gz CWSPFGLCYOMHBO-OLZOCXBDSA-N 0 3 291.355 1.044 20 5 CDBDHN C[C@@H]1CN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1=O ZINC001169006739 927612263 /nfs/dbraw/zinc/61/22/63/927612263.db2.gz JFWTZBWIPKLVRN-GRYCIOLGSA-N 0 3 254.330 1.733 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccc([C@@H](C)N)n1 ZINC001169232678 927845805 /nfs/dbraw/zinc/84/58/05/927845805.db2.gz IJXWIUOPCFRMGS-MRVPVSSYSA-N 0 3 290.279 1.587 20 5 CDBDHN NCc1ccnn1-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001155123953 937638236 /nfs/dbraw/zinc/63/82/36/937638236.db2.gz PHSFEOWJGRUZJH-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN NCc1ccnn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001155130583 937639711 /nfs/dbraw/zinc/63/97/11/937639711.db2.gz ZCBIIPZOIDAIMQ-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN Cc1cc(CN)nn1-c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001156039860 938313008 /nfs/dbraw/zinc/31/30/08/938313008.db2.gz XXWKXKAJLGIKKJ-UHFFFAOYSA-N 0 3 261.285 1.559 20 5 CDBDHN C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001159488343 938731692 /nfs/dbraw/zinc/73/16/92/938731692.db2.gz CIUMYIWSUTWJNP-OIBJUYFYSA-N 0 3 286.719 1.432 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001159490431 938732939 /nfs/dbraw/zinc/73/29/39/938732939.db2.gz WINIQNLYTWJMRA-ONGXEEELSA-N 0 3 266.301 1.087 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NC[C@H](O)c1ccco1)CNC2 ZINC001162261064 938968779 /nfs/dbraw/zinc/96/87/79/938968779.db2.gz KWOYMOLGZSSJJJ-ZDUSSCGKSA-N 0 3 289.291 1.937 20 5 CDBDHN CN(C)/C=C/c1cc(N2CC(N(C)C)C2)ncc1[N+](=O)[O-] ZINC001163940417 939358463 /nfs/dbraw/zinc/35/84/63/939358463.db2.gz JLWCAOAWHYWDTQ-AATRIKPKSA-N 0 3 291.355 1.272 20 5 CDBDHN CN1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000311424064 941326177 /nfs/dbraw/zinc/32/61/77/941326177.db2.gz OSWOGOSVKTXMNG-ZETCQYMHSA-N 0 3 279.325 1.716 20 5 CDBDHN CN1CC[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226805315 942075290 /nfs/dbraw/zinc/07/52/90/942075290.db2.gz XPTCYRQEDCXFQI-QMMMGPOBSA-N 0 3 292.270 1.760 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C)C1=O ZINC001254536788 947515598 /nfs/dbraw/zinc/51/55/98/947515598.db2.gz TVAWREZDNVEODA-CMPLNLGQSA-N 0 3 277.324 1.346 20 5 CDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@@H]3C[C@@H]3N2)n1 ZINC001249144244 949427714 /nfs/dbraw/zinc/42/77/14/949427714.db2.gz AHIAFUUFMWZGRL-GEVIPFJHSA-N 0 3 291.242 1.602 20 5 CDBDHN COc1c(O)ccc(CN[C@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC001308637576 956556528 /nfs/dbraw/zinc/55/65/28/956556528.db2.gz MOIHELFKGGZZQF-RKDXNWHRSA-N 0 3 284.312 1.558 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC001308637576 956556536 /nfs/dbraw/zinc/55/65/36/956556536.db2.gz MOIHELFKGGZZQF-RKDXNWHRSA-N 0 3 284.312 1.558 20 5 CDBDHN CCN1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001337093128 960929176 /nfs/dbraw/zinc/92/91/76/960929176.db2.gz XSOVIFUDFJKLQC-ZJUUUORDSA-N 0 3 279.344 1.491 20 5 CDBDHN Cc1cc(NC(=O)C[C@@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC001515789089 969917314 /nfs/dbraw/zinc/91/73/14/969917314.db2.gz KZAUTDIFPXMFNZ-GFCCVEGCSA-N 0 3 279.296 1.220 20 5 CDBDHN CCc1[nH]nc(-c2nc([C@@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000592356874 342688262 /nfs/dbraw/zinc/68/82/62/342688262.db2.gz JXHDSGSBABMFPJ-ZETCQYMHSA-N 0 3 278.272 1.355 20 5 CDBDHN COCCN(C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000070496327 361982680 /nfs/dbraw/zinc/98/26/80/361982680.db2.gz PASFQEMCMYXFEL-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN Cc1c([C@@H](C)NC[C@H]2COCCN2)cccc1[N+](=O)[O-] ZINC000600709264 342243460 /nfs/dbraw/zinc/24/34/60/342243460.db2.gz HXDLIQPNKMQEHS-NEPJUHHUSA-N 0 3 279.340 1.542 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC1(CO)COC1 ZINC000594501171 342914413 /nfs/dbraw/zinc/91/44/13/342914413.db2.gz IWZXJZVBPISEIP-LBPRGKRZSA-N 0 3 278.308 1.181 20 5 CDBDHN Cc1noc(CN(C)CCN(C)C2CC2)c1[N+](=O)[O-] ZINC000595448015 343053704 /nfs/dbraw/zinc/05/37/04/343053704.db2.gz WESSVZYPRGNVIQ-UHFFFAOYSA-N 0 3 268.317 1.417 20 5 CDBDHN CC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000595766507 343145497 /nfs/dbraw/zinc/14/54/97/343145497.db2.gz XCMXANINHCGQQL-GFCCVEGCSA-N 0 3 277.324 1.972 20 5 CDBDHN C[C@@H](CO)[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000595678076 343129932 /nfs/dbraw/zinc/12/99/32/343129932.db2.gz QFKULKBFIDOATH-RYUDHWBXSA-N 0 3 282.344 1.274 20 5 CDBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596048723 343218236 /nfs/dbraw/zinc/21/82/36/343218236.db2.gz CNNKCSLNRPNIFC-LLVKDONJSA-N 0 3 292.339 1.590 20 5 CDBDHN CC(C)[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CCN1C ZINC000596205297 343265186 /nfs/dbraw/zinc/26/51/86/343265186.db2.gz HYLZWQFQQWIDNC-NSHDSACASA-N 0 3 280.328 1.472 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(C(C)(C)C)C1 ZINC000596335148 343297403 /nfs/dbraw/zinc/29/74/03/343297403.db2.gz GGAOUOWHSVYAHK-SECBINFHSA-N 0 3 267.333 1.613 20 5 CDBDHN CCC[N@@H+]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596518904 343340668 /nfs/dbraw/zinc/34/06/68/343340668.db2.gz ZJKCJKWOJKAEIU-VIFPVBQESA-N 0 3 266.301 1.592 20 5 CDBDHN CCC[N@H+]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596518904 343340670 /nfs/dbraw/zinc/34/06/70/343340670.db2.gz ZJKCJKWOJKAEIU-VIFPVBQESA-N 0 3 266.301 1.592 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)c1 ZINC000141366151 342447006 /nfs/dbraw/zinc/44/70/06/342447006.db2.gz DGWZFDNBNNRYEQ-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598260737 343743919 /nfs/dbraw/zinc/74/39/19/343743919.db2.gz MHTFYBJJWZWEKG-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN CC[C@H](NCCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599092512 343952683 /nfs/dbraw/zinc/95/26/83/343952683.db2.gz JJILAKJWWLUDRV-GJZGRUSLSA-N 0 3 293.367 1.702 20 5 CDBDHN CCC(O)(CC)CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000599672216 344113479 /nfs/dbraw/zinc/11/34/79/344113479.db2.gz AQJUAUIKYLPYKY-UHFFFAOYSA-N 0 3 270.333 1.274 20 5 CDBDHN CCN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CCN(C)CC1 ZINC000599985572 344160167 /nfs/dbraw/zinc/16/01/67/344160167.db2.gz GIJIPVLWUJIKEU-UHFFFAOYSA-N 0 3 294.355 1.490 20 5 CDBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000265589654 362456319 /nfs/dbraw/zinc/45/63/19/362456319.db2.gz RKDCUUVRBTWKFA-SECBINFHSA-N 0 3 299.758 1.857 20 5 CDBDHN CC[C@H](CN1CCCC1)NC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000609876486 346030030 /nfs/dbraw/zinc/03/00/30/346030030.db2.gz AXOAJQCAODNBSV-SNVBAGLBSA-N 0 3 295.343 1.231 20 5 CDBDHN CC(C)NCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810251 346364617 /nfs/dbraw/zinc/36/46/17/346364617.db2.gz RFEDHNICGPTRQK-UHFFFAOYSA-N 0 3 265.313 1.551 20 5 CDBDHN CCN1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000611092019 346606035 /nfs/dbraw/zinc/60/60/35/346606035.db2.gz GSTLZNLIPDVFNW-CYBMUJFWSA-N 0 3 293.367 2.000 20 5 CDBDHN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000086467985 179298849 /nfs/dbraw/zinc/29/88/49/179298849.db2.gz AWLSUBUXYWPUPR-YUMQZZPRSA-N 0 3 269.326 1.479 20 5 CDBDHN C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N(C)C ZINC000063769287 348931997 /nfs/dbraw/zinc/93/19/97/348931997.db2.gz GGWLPQYGBDNZPL-VIFPVBQESA-N 0 3 290.323 1.756 20 5 CDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000067703489 349033802 /nfs/dbraw/zinc/03/38/02/349033802.db2.gz AYBPEKGUYMLVBJ-GFCCVEGCSA-N 0 3 289.335 1.490 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CC(O)C1 ZINC000091498736 180173907 /nfs/dbraw/zinc/17/39/07/180173907.db2.gz GMFGUMHCOYPQEL-UHFFFAOYSA-N 0 3 250.298 1.798 20 5 CDBDHN CCN(C)C[C@@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000312406639 350768535 /nfs/dbraw/zinc/76/85/35/350768535.db2.gz MFZLYPNLPSHKGK-GFCCVEGCSA-N 0 3 282.340 1.903 20 5 CDBDHN CN1CC[C@@]2(CCN(C(=O)c3csc([N+](=O)[O-])c3)C2)C1 ZINC000292281056 198229981 /nfs/dbraw/zinc/22/99/81/198229981.db2.gz QUSYNMZJDUBIHB-CYBMUJFWSA-N 0 3 295.364 1.824 20 5 CDBDHN CN1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286126387 356221267 /nfs/dbraw/zinc/22/12/67/356221267.db2.gz MPYSSDKDIQPJOC-UHFFFAOYSA-N 0 3 250.302 1.683 20 5 CDBDHN C[C@@H]1C[C@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578194464 356263739 /nfs/dbraw/zinc/26/37/39/356263739.db2.gz LZIUSGLBZDPDPD-NEPJUHHUSA-N 0 3 276.340 1.768 20 5 CDBDHN CC(C)(O)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000189900269 535300965 /nfs/dbraw/zinc/30/09/65/535300965.db2.gz HPVMEQPMCGSDAT-AWEZNQCLSA-N 0 3 294.351 1.864 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3cccnc3)C2)c1 ZINC000578527995 356717559 /nfs/dbraw/zinc/71/75/59/356717559.db2.gz WYNPYBDMOSWUCP-ZDUSSCGKSA-N 0 3 287.323 1.676 20 5 CDBDHN Cc1nn(C)c(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000048334722 356788553 /nfs/dbraw/zinc/78/85/53/356788553.db2.gz YTLYDSSGKVYUBJ-UHFFFAOYSA-N 0 3 253.306 1.144 20 5 CDBDHN C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])N(C)C ZINC000037988077 356950119 /nfs/dbraw/zinc/95/01/19/356950119.db2.gz CDNLBSXXAPIZAO-ZETCQYMHSA-N 0 3 269.330 1.666 20 5 CDBDHN COC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000181561640 357361144 /nfs/dbraw/zinc/36/11/44/357361144.db2.gz RROACPDIXHCFES-LBPRGKRZSA-N 0 3 293.323 1.208 20 5 CDBDHN C[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192734041 358230973 /nfs/dbraw/zinc/23/09/73/358230973.db2.gz AREWQRSIUXLHNG-LLVKDONJSA-N 0 3 280.324 1.819 20 5 CDBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000103453638 358922909 /nfs/dbraw/zinc/92/29/09/358922909.db2.gz XRLPFZXGIDCGRU-UHFFFAOYSA-N 0 3 281.312 1.602 20 5 CDBDHN CN(CC[C@H]1CCCO1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000342612638 359135117 /nfs/dbraw/zinc/13/51/17/359135117.db2.gz YHEYWLVVJUNIDE-CYBMUJFWSA-N 0 3 295.339 1.257 20 5 CDBDHN C[C@H](C[S@@](C)=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570175357 359289802 /nfs/dbraw/zinc/28/98/02/359289802.db2.gz IXCFWATWAGOZET-JNGGQTBLSA-N 0 3 282.365 1.939 20 5 CDBDHN C[C@H](NC[C@H](O)CN(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296805459 200003407 /nfs/dbraw/zinc/00/34/07/200003407.db2.gz UNCXPERCFIYRMI-NHYWBVRUSA-N 0 3 293.367 1.701 20 5 CDBDHN Cc1cc(N(C)[C@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC000267043669 360146041 /nfs/dbraw/zinc/14/60/41/360146041.db2.gz CZRLQNRGYQMANT-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC3CC3)C2)nc1 ZINC000237987107 360313117 /nfs/dbraw/zinc/31/31/17/360313117.db2.gz PJPMTGILVBCRIQ-NSHDSACASA-N 0 3 262.313 1.886 20 5 CDBDHN COC[C@@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)OC ZINC000227705071 360680507 /nfs/dbraw/zinc/68/05/07/360680507.db2.gz IDBHANZVPRNEIH-LLVKDONJSA-N 0 3 284.312 1.354 20 5 CDBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000037977415 361163012 /nfs/dbraw/zinc/16/30/12/361163012.db2.gz QNJOQTNEVNNEQA-UHFFFAOYSA-N 0 3 250.302 1.886 20 5 CDBDHN CCCN(CCN1CCCC1)Cc1c([N+](=O)[O-])ncn1C ZINC000352874444 364124425 /nfs/dbraw/zinc/12/44/25/364124425.db2.gz HZHRTRJXSWFQPD-UHFFFAOYSA-N 0 3 295.387 1.636 20 5 CDBDHN CNCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162836940 364662945 /nfs/dbraw/zinc/66/29/45/364662945.db2.gz NLSUZRFFFIPVRT-VIFPVBQESA-N 0 3 251.286 1.300 20 5 CDBDHN CC[C@@](C)(O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249429473 364693353 /nfs/dbraw/zinc/69/33/53/364693353.db2.gz YUARZVCDOASBBU-BXUZGUMPSA-N 0 3 294.355 1.637 20 5 CDBDHN C[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)N(C)C ZINC000272241655 367566996 /nfs/dbraw/zinc/56/69/96/367566996.db2.gz KWYRDVPVDRBCFT-MRVPVSSYSA-N 0 3 295.295 1.003 20 5 CDBDHN CN(C)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000275983233 193179542 /nfs/dbraw/zinc/17/95/42/193179542.db2.gz MVKKDPNHLRVOCX-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN C[C@H](CN1CCOCC1)NCc1csc([N+](=O)[O-])c1 ZINC000037562761 369079948 /nfs/dbraw/zinc/07/99/48/369079948.db2.gz PLBIYLLQXPQPOZ-SNVBAGLBSA-N 0 3 285.369 1.467 20 5 CDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN[C@@H](C)C1 ZINC000420333155 244100511 /nfs/dbraw/zinc/10/05/11/244100511.db2.gz HLXZYBIDKQNMQJ-WDEREUQCSA-N 0 3 292.339 1.216 20 5 CDBDHN COc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000129899785 370128221 /nfs/dbraw/zinc/12/82/21/370128221.db2.gz NBIZSVORSSCZPT-UWVGGRQHSA-N 0 3 293.323 1.426 20 5 CDBDHN CN1CCNC[C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414971845 371196954 /nfs/dbraw/zinc/19/69/54/371196954.db2.gz WXDVRRHDOKNZFC-SDQPKGBYSA-N 0 3 290.367 1.101 20 5 CDBDHN C[C@H](CO)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000086632160 371704278 /nfs/dbraw/zinc/70/42/78/371704278.db2.gz FBASKBCHQPELRR-QMMMGPOBSA-N 0 3 258.705 1.966 20 5 CDBDHN O=C(CNC1CC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178919547 372224240 /nfs/dbraw/zinc/22/42/40/372224240.db2.gz VGLXJIDQERTIMX-UHFFFAOYSA-N 0 3 291.351 1.786 20 5 CDBDHN CN1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298676370 373765695 /nfs/dbraw/zinc/76/56/95/373765695.db2.gz RCNZWZZMUREQOT-UHFFFAOYSA-N 0 3 292.339 1.171 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@@H]2Cc3cccc(O)c3C2)n1 ZINC000429258259 374577066 /nfs/dbraw/zinc/57/70/66/374577066.db2.gz GZAQAFHSTVAAMK-LLVKDONJSA-N 0 3 288.307 1.254 20 5 CDBDHN CSC[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000429313616 374581338 /nfs/dbraw/zinc/58/13/38/374581338.db2.gz XQLAPDGUUCGSNC-LLVKDONJSA-N 0 3 284.385 1.866 20 5 CDBDHN CC(C)N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000274411011 374673646 /nfs/dbraw/zinc/67/36/46/374673646.db2.gz CBBIJDACXFOSGP-SNVBAGLBSA-N 0 3 281.312 1.790 20 5 CDBDHN Cc1c(CN[C@@H](CO)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447920940 374723893 /nfs/dbraw/zinc/72/38/93/374723893.db2.gz YQEQATHKKNNJQC-JSGCOSHPSA-N 0 3 280.324 1.533 20 5 CDBDHN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000299600674 375185703 /nfs/dbraw/zinc/18/57/03/375185703.db2.gz GDHZGWFKCTTXRX-SECBINFHSA-N 0 3 263.297 1.536 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)CN(C)C ZINC000351145373 375272459 /nfs/dbraw/zinc/27/24/59/375272459.db2.gz NUMWGAPWTIJRBV-SECBINFHSA-N 0 3 296.327 1.675 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000351938037 375342889 /nfs/dbraw/zinc/34/28/89/375342889.db2.gz WTNIJYUSUPFNAK-CHWSQXEVSA-N 0 3 293.367 1.998 20 5 CDBDHN CN(C)CC[C@](C)(O)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000352121156 375352963 /nfs/dbraw/zinc/35/29/63/375352963.db2.gz OIKDTJFHNOYCSU-AWEZNQCLSA-N 0 3 295.339 1.027 20 5 CDBDHN CCN(C)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000171167708 376328884 /nfs/dbraw/zinc/32/88/84/376328884.db2.gz FNLODMHCTJXFJH-UHFFFAOYSA-N 0 3 294.355 1.388 20 5 CDBDHN COCC[C@@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000172070530 377240267 /nfs/dbraw/zinc/24/02/67/377240267.db2.gz VORLLKQPKWVIQN-CYBMUJFWSA-N 0 3 268.313 1.472 20 5 CDBDHN COCC[C@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000172069880 377240756 /nfs/dbraw/zinc/24/07/56/377240756.db2.gz ZRCKCZGNGJHINA-AWEZNQCLSA-N 0 3 298.339 1.481 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCCN1C ZINC000345166584 377404470 /nfs/dbraw/zinc/40/44/70/377404470.db2.gz SQUNEEYHRCNZNN-NXEZZACHSA-N 0 3 293.327 1.016 20 5 CDBDHN C[C@H](Cn1cncn1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266834969 377463605 /nfs/dbraw/zinc/46/36/05/377463605.db2.gz FITSQDJGHMSAAF-MNOVXSKESA-N 0 3 275.312 1.926 20 5 CDBDHN C[C@H](c1ccco1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173583473 378668507 /nfs/dbraw/zinc/66/85/07/378668507.db2.gz GGBFAOMMHQROCV-PWSUYJOCSA-N 0 3 294.311 1.438 20 5 CDBDHN CN(C)C/C=C/C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491627354 253093886 /nfs/dbraw/zinc/09/38/86/253093886.db2.gz DKKYJNSBVQFUMH-ONEGZZNKSA-N 0 3 275.308 1.602 20 5 CDBDHN CN(C)C/C=C/C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000492114140 253158226 /nfs/dbraw/zinc/15/82/26/253158226.db2.gz ZAFRWUBOXFQRKZ-ONEGZZNKSA-N 0 3 289.335 1.597 20 5 CDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000288425996 197075113 /nfs/dbraw/zinc/07/51/13/197075113.db2.gz OALKQGLKFLHEKV-VHSXEESVSA-N 0 3 293.327 1.017 20 5 CDBDHN COCC[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281804030 195387931 /nfs/dbraw/zinc/38/79/31/195387931.db2.gz YMVGTJSKVMVXKO-CMPLNLGQSA-N 0 3 268.313 1.643 20 5 CDBDHN CN(C)CCN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000177685679 390432473 /nfs/dbraw/zinc/43/24/73/390432473.db2.gz VNWURJXVGQGRGX-UHFFFAOYSA-N 0 3 265.313 1.157 20 5 CDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159404690 391046464 /nfs/dbraw/zinc/04/64/64/391046464.db2.gz XAIUYSPUMBHSSP-MFKMUULPSA-N 0 3 250.298 1.798 20 5 CDBDHN Cc1ccc(NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000358351336 391591949 /nfs/dbraw/zinc/59/19/49/391591949.db2.gz LXKIVCQVVUVOCA-CYBMUJFWSA-N 0 3 265.313 1.382 20 5 CDBDHN COc1ccc(C(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000416291022 391983175 /nfs/dbraw/zinc/98/31/75/391983175.db2.gz NGQXPKWZFLHXDM-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CNC(=O)C[C@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449602543 393135432 /nfs/dbraw/zinc/13/54/32/393135432.db2.gz PBZSRJXHJLTWPU-XOIDGJRKSA-N 0 3 277.324 1.722 20 5 CDBDHN NC(=O)[C@@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000449746527 393141607 /nfs/dbraw/zinc/14/16/07/393141607.db2.gz SGVLXYJVWXAKTF-BDAKNGLRSA-N 0 3 269.326 1.400 20 5 CDBDHN COCCNCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000216078509 140162018 /nfs/dbraw/zinc/16/20/18/140162018.db2.gz WHHAGGRRDHBVSC-UHFFFAOYSA-N 0 3 290.323 1.791 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@H]2CN3CCC[C@H]3CO2)cs1 ZINC000252667941 140320833 /nfs/dbraw/zinc/32/08/33/140320833.db2.gz QEZJHSUECBHFMO-RYUDHWBXSA-N 0 3 297.380 1.609 20 5 CDBDHN C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N(C)C ZINC000346210477 153097880 /nfs/dbraw/zinc/09/78/80/153097880.db2.gz OWUKXJWURVZFLF-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN COCCN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1F ZINC000349327863 154090518 /nfs/dbraw/zinc/09/05/18/154090518.db2.gz GJUFRYALIPQHCK-UHFFFAOYSA-N 0 3 299.346 1.744 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC2CCC1CC2 ZINC000371390909 160004374 /nfs/dbraw/zinc/00/43/74/160004374.db2.gz YKIRRSWXXWRPDF-UHFFFAOYSA-N 0 3 277.324 1.631 20 5 CDBDHN C[C@H](CC[S@](C)=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285356291 196259550 /nfs/dbraw/zinc/25/95/50/196259550.db2.gz VKXJPHORTFYTDO-ARNPGYACSA-N 0 3 299.396 1.985 20 5 CDBDHN COCCOCCNCc1cccc([N+](=O)[O-])c1 ZINC000044424315 175174341 /nfs/dbraw/zinc/17/43/41/175174341.db2.gz BRYRFSBSRRHXNL-UHFFFAOYSA-N 0 3 254.286 1.347 20 5 CDBDHN COCCOCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044694043 175235069 /nfs/dbraw/zinc/23/50/69/175235069.db2.gz MGPUTOQTIWPVOY-NSHDSACASA-N 0 3 268.313 1.908 20 5 CDBDHN CCCNC(=O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000045074068 175302577 /nfs/dbraw/zinc/30/25/77/175302577.db2.gz YFIXZVNOOGQHMX-UHFFFAOYSA-N 0 3 295.339 1.609 20 5 CDBDHN C[C@@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192909448 274228724 /nfs/dbraw/zinc/22/87/24/274228724.db2.gz ZZZMFULOAVGKLA-ZANVPECISA-N 0 3 250.298 1.943 20 5 CDBDHN CC[C@](C)(NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000133200952 273765284 /nfs/dbraw/zinc/76/52/84/273765284.db2.gz JKKHHAHHZFDHNY-ZDUSSCGKSA-N 0 3 281.312 1.217 20 5 CDBDHN C[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192721297 274494526 /nfs/dbraw/zinc/49/45/26/274494526.db2.gz ZZZMFULOAVGKLA-NOZJJQNGSA-N 0 3 250.298 1.943 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CC=CC3)C2)c1 ZINC000193456221 274964823 /nfs/dbraw/zinc/96/48/23/274964823.db2.gz MBPNNPMYBWZNNK-GFCCVEGCSA-N 0 3 274.324 1.628 20 5 CDBDHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)nc1 ZINC000301725459 275037128 /nfs/dbraw/zinc/03/71/28/275037128.db2.gz PPZRKHQSCOMGGZ-ZDUSSCGKSA-N 0 3 292.339 1.655 20 5 CDBDHN CS[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270932030 277524697 /nfs/dbraw/zinc/52/46/97/277524697.db2.gz CSUVPCGSCKXIMC-VXGBXAGGSA-N 0 3 296.396 1.780 20 5 CDBDHN C[C@H]1CCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331063512 278336423 /nfs/dbraw/zinc/33/64/23/278336423.db2.gz PHAXOYUKIURQOV-UWVGGRQHSA-N 0 3 252.318 1.997 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H]1CN1CCCCC1 ZINC000547960890 289823654 /nfs/dbraw/zinc/82/36/54/289823654.db2.gz SUAZGQHKMODJIL-GFCCVEGCSA-N 0 3 293.371 1.783 20 5 CDBDHN CCOC(=O)C[C@@H](C)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000182646919 323291607 /nfs/dbraw/zinc/29/16/07/323291607.db2.gz NKOXCTSAIXTTHG-SNVBAGLBSA-N 0 3 284.316 1.065 20 5 CDBDHN C[C@@H](C(=O)NCCN(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184737783 323371282 /nfs/dbraw/zinc/37/12/82/323371282.db2.gz UMWLUXRZLGKNKY-SECBINFHSA-N 0 3 283.303 1.515 20 5 CDBDHN CCN1CC[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC000354355159 521714605 /nfs/dbraw/zinc/71/46/05/521714605.db2.gz XQCMOHCBFCILPS-NXEZZACHSA-N 0 3 294.359 1.106 20 5 CDBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183693479 525413466 /nfs/dbraw/zinc/41/34/66/525413466.db2.gz ANIUWMHIOIQIBV-MFKMUULPSA-N 0 3 293.323 1.690 20 5 CDBDHN C[C@H](N[C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018644 525603704 /nfs/dbraw/zinc/60/37/04/525603704.db2.gz YLLWRHGGGAGMOS-ONGXEEELSA-N 0 3 263.297 1.524 20 5 CDBDHN COc1cc(C[NH2+]C[C@H]2CCCOC2)c([N+](=O)[O-])cc1[O-] ZINC000237278823 536799938 /nfs/dbraw/zinc/79/99/38/536799938.db2.gz PAEAAIWZDQOFAF-SNVBAGLBSA-N 0 3 296.323 1.825 20 5 CDBDHN COc1ccc(CNC2CCN(C=O)CC2)cc1[N+](=O)[O-] ZINC000774145225 575184454 /nfs/dbraw/zinc/18/44/54/575184454.db2.gz VQPVTWBAJHMSGI-UHFFFAOYSA-N 0 3 293.323 1.314 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000768774544 576307473 /nfs/dbraw/zinc/30/74/73/576307473.db2.gz VESSYSFSXLBABD-LALPHHSUSA-N 0 3 293.367 1.653 20 5 CDBDHN Cc1cc(F)cc(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000758508661 577112686 /nfs/dbraw/zinc/11/26/86/577112686.db2.gz PPFCJLQTVMXRSD-UHFFFAOYSA-N 0 3 283.303 1.676 20 5 CDBDHN CON(C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000850479648 617516285 /nfs/dbraw/zinc/51/62/85/617516285.db2.gz AUUDHTDDHUIZBL-SNVBAGLBSA-N 0 3 253.302 1.739 20 5 CDBDHN C[C@@H]1CCCCN1CCNc1c([N+](=O)[O-])cnn1C ZINC000891838956 617637517 /nfs/dbraw/zinc/63/75/17/617637517.db2.gz ZBDFAKHXMWIXTK-SNVBAGLBSA-N 0 3 267.333 1.615 20 5 CDBDHN COc1c(O)ccc(CN[C@@]2(C)CCO[C@H]2C)c1[N+](=O)[O-] ZINC000893522534 618024712 /nfs/dbraw/zinc/02/47/12/618024712.db2.gz UWHOKIUDAUEHEH-XPTSAGLGSA-N 0 3 296.323 1.966 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000893069103 618125150 /nfs/dbraw/zinc/12/51/50/618125150.db2.gz BGMVRQNOBUILNP-GXSJLCMTSA-N 0 3 296.323 1.824 20 5 CDBDHN Cc1cccc([C@H](CNCC[N+](=O)[O-])N2CCOCC2)c1 ZINC000899869888 622495717 /nfs/dbraw/zinc/49/57/17/622495717.db2.gz JJIXORVCZSCAFU-HNNXBMFYSA-N 0 3 293.367 1.235 20 5 CDBDHN O=[N+]([O-])CCNCCc1cc(Br)ccc1F ZINC000905059008 626609036 /nfs/dbraw/zinc/60/90/36/626609036.db2.gz DVVSOVKIZLILDN-UHFFFAOYSA-N 0 3 291.120 1.997 20 5 CDBDHN CN(C)[C@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905143478 626655528 /nfs/dbraw/zinc/65/55/28/626655528.db2.gz AHPAJMDLWRYZFE-GFCCVEGCSA-N 0 3 271.748 1.809 20 5 CDBDHN O=[N+]([O-])CCNC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000905231008 626685857 /nfs/dbraw/zinc/68/58/57/626685857.db2.gz IIVZPKBKDZVRJG-LSDHHAIUSA-N 0 3 296.342 1.766 20 5 CDBDHN C[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170566066 1162931419 /nfs/dbraw/zinc/93/14/19/1162931419.db2.gz DMPHKLFAULFSIG-IONNQARKSA-N 0 3 286.719 1.432 20 5 CDBDHN Cc1nc2ccccc2n1CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112589 1163815334 /nfs/dbraw/zinc/81/53/34/1163815334.db2.gz IVIVZGFSRZGVNN-VIFPVBQESA-N 0 3 277.280 1.553 20 5 CDBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CCN(C)CC1 ZINC000843754936 823809957 /nfs/dbraw/zinc/80/99/57/823809957.db2.gz AJSPELCTDPZOSE-UHFFFAOYSA-N 0 3 295.314 1.866 20 5 CDBDHN Cn1cc(CNC2(C3CC3)CCC2)c([N+](=O)[O-])n1 ZINC000887148549 824143777 /nfs/dbraw/zinc/14/37/77/824143777.db2.gz IUJNXUCQLIRKNP-UHFFFAOYSA-N 0 3 250.302 1.751 20 5 CDBDHN CCN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000796316658 824519253 /nfs/dbraw/zinc/51/92/53/824519253.db2.gz NUNIAIPEVZWOBU-DOMZBBRYSA-N 0 3 293.367 1.654 20 5 CDBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000860777812 824781171 /nfs/dbraw/zinc/78/11/71/824781171.db2.gz WNWIJACGUOJOCM-GZMMTYOYSA-N 0 3 271.244 1.722 20 5 CDBDHN CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000846889859 824816717 /nfs/dbraw/zinc/81/67/17/824816717.db2.gz PKRXRKLAOHFOAD-AWEZNQCLSA-N 0 3 293.367 1.654 20 5 CDBDHN C[C@H](N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000881209931 825188253 /nfs/dbraw/zinc/18/82/53/825188253.db2.gz NYJSKOPBDCVSQZ-ZETCQYMHSA-N 0 3 265.248 1.393 20 5 CDBDHN CC(C)(COCc1ccccc1)NCC[N+](=O)[O-] ZINC000930311478 825743112 /nfs/dbraw/zinc/74/31/12/825743112.db2.gz NHWLQHUFEPQOBG-UHFFFAOYSA-N 0 3 252.314 1.848 20 5 CDBDHN Cc1ccc(CNCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000922940119 825877215 /nfs/dbraw/zinc/87/72/15/825877215.db2.gz BWXRGRBCAZZIGX-ZDUSSCGKSA-N 0 3 280.324 1.798 20 5 CDBDHN CC(=O)Nc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1F ZINC000813108159 826218436 /nfs/dbraw/zinc/21/84/36/826218436.db2.gz BLSZJYZBKMSGGH-SSDOTTSWSA-N 0 3 284.243 1.606 20 5 CDBDHN Cn1cncc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819315916 826929550 /nfs/dbraw/zinc/92/95/50/826929550.db2.gz COVIGOMBHAAQSO-ZDUSSCGKSA-N 0 3 276.296 1.152 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)C[C@H](C)O2)[N+](=O)[O-] ZINC000851036722 827098222 /nfs/dbraw/zinc/09/82/22/827098222.db2.gz LPYIGYFQFIPBHH-BDAKNGLRSA-N 0 3 265.265 1.832 20 5 CDBDHN C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000856796740 827356464 /nfs/dbraw/zinc/35/64/64/827356464.db2.gz ZDIASTVDWADNEZ-KYOSRNDESA-N 0 3 294.351 1.579 20 5 CDBDHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813099981 828315688 /nfs/dbraw/zinc/31/56/88/828315688.db2.gz JEOKGLBCLPLQQB-QMMMGPOBSA-N 0 3 298.251 1.354 20 5 CDBDHN NCc1cn(-c2cc(Cl)ncc2[N+](=O)[O-])cn1 ZINC001154906780 926016592 /nfs/dbraw/zinc/01/65/92/926016592.db2.gz NYSQWPXACOPQAN-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2cc3ccccn3n2)C1 ZINC001169001652 927606365 /nfs/dbraw/zinc/60/63/65/927606365.db2.gz HDZUWJXBLDDONW-RYUDHWBXSA-N 0 3 274.324 1.869 20 5 CDBDHN C[C@@H]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169011433 927618076 /nfs/dbraw/zinc/61/80/76/927618076.db2.gz KIFKDNOFAONIQB-GRYCIOLGSA-N 0 3 254.330 1.733 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CC(N3CCC(F)CC3)C2)C1 ZINC001169034139 927641966 /nfs/dbraw/zinc/64/19/66/927641966.db2.gz FNHVNNPTTIMSLT-DGCLKSJQSA-N 0 3 285.363 1.550 20 5 CDBDHN CCN([C@@H](C)C(=O)OC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169054396 927672569 /nfs/dbraw/zinc/67/25/69/927672569.db2.gz LVWQDORIGFGKKC-AXFHLTTASA-N 0 3 258.318 1.315 20 5 CDBDHN CNc1cc([N+](=O)[O-])cnc1-n1ccc([C@@H](C)N)n1 ZINC001169229164 927829310 /nfs/dbraw/zinc/82/93/10/927829310.db2.gz FYQAFYNKNHIFCW-SSDOTTSWSA-N 0 3 262.273 1.237 20 5 CDBDHN NCc1ccnn1-c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001155130474 937640017 /nfs/dbraw/zinc/64/00/17/937640017.db2.gz UIQDGGRHVBUJQO-UHFFFAOYSA-N 0 3 296.290 1.696 20 5 CDBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H]1CNCCO1 ZINC001159488499 938731575 /nfs/dbraw/zinc/73/15/75/938731575.db2.gz DXCLJCRQNCVQPE-GMSGAONNSA-N 0 3 286.719 1.432 20 5 CDBDHN NCc1cn(-c2nc(Cl)ccc2[N+](=O)[O-])cn1 ZINC001162301772 938975113 /nfs/dbraw/zinc/97/51/13/938975113.db2.gz FFUASZLBSFWDEP-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN COc1cnc(N[C@]2(C)CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001162340545 939029658 /nfs/dbraw/zinc/02/96/58/939029658.db2.gz DRVAXQCLRGJICD-CYBMUJFWSA-N 0 3 280.328 1.895 20 5 CDBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])cc(F)c1C ZINC001163988604 939373993 /nfs/dbraw/zinc/37/39/93/939373993.db2.gz PLMISDHEWIVYSL-UHFFFAOYSA-N 0 3 264.260 1.995 20 5 CDBDHN CCN1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711345 942054232 /nfs/dbraw/zinc/05/42/32/942054232.db2.gz CMDGFAHIVWJYGE-LLVKDONJSA-N 0 3 251.286 1.853 20 5 CDBDHN CCN1CC[C@H](Oc2c(C)ccnc2[N+](=O)[O-])C1 ZINC001233556068 943615712 /nfs/dbraw/zinc/61/57/12/943615712.db2.gz JRMBUCYAKOZWLI-JTQLQIEISA-N 0 3 251.286 1.771 20 5 CDBDHN CCC1(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)COC1 ZINC001254575203 947535378 /nfs/dbraw/zinc/53/53/78/947535378.db2.gz POBUNUFHVLARFM-LBPRGKRZSA-N 0 3 262.309 1.831 20 5 CDBDHN N=c1ncc(CN)cn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586724 947542457 /nfs/dbraw/zinc/54/24/57/947542457.db2.gz RVRMMNZCSAQFRH-ZDUSSCGKSA-N 0 3 285.307 1.069 20 5 CDBDHN Cc1nn(CN2CCN(C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC001323444042 960736715 /nfs/dbraw/zinc/73/67/15/960736715.db2.gz ZGQUTBYMNGAADL-UHFFFAOYSA-N 0 3 295.387 1.782 20 5 CDBDHN CC[C@H](C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339668658 962477302 /nfs/dbraw/zinc/47/73/02/962477302.db2.gz PSTIVXXJVYRWPU-QWRGUYRKSA-N 0 3 296.375 1.073 20 5 CDBDHN CC[C@H](C)N1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001339741651 962512321 /nfs/dbraw/zinc/51/23/21/962512321.db2.gz GTBOXXWQSZLXSS-JTQLQIEISA-N 0 3 279.344 1.493 20 5 CDBDHN CC(COC(=O)[C@H]1C[C@]12C(=O)Nc1ccccc12)[N+](=O)[O-] ZINC001343663706 964082271 /nfs/dbraw/zinc/08/22/71/964082271.db2.gz IXFFRGGLIGPBKG-PJCOJXEDSA-N 0 3 290.275 1.105 20 5 CDBDHN CC(COC(=O)Cc1c[nH]c2cnccc12)[N+](=O)[O-] ZINC001344812090 964438269 /nfs/dbraw/zinc/43/82/69/964438269.db2.gz CMCGJNOHKDUHFO-MRVPVSSYSA-N 0 3 263.253 1.314 20 5 CDBDHN NC(=O)C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589209930 342500517 /nfs/dbraw/zinc/50/05/17/342500517.db2.gz YUAUZLAECOMZHH-FHMRSRPSSA-N 0 3 289.335 1.805 20 5 CDBDHN Cc1ccc([C@@H](C)N[C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601303895 342550872 /nfs/dbraw/zinc/55/08/72/342550872.db2.gz JYPVXWBWPRVUJH-MPKXVKKWSA-N 0 3 280.324 1.704 20 5 CDBDHN COCCN(C)CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000041951241 342005048 /nfs/dbraw/zinc/00/50/48/342005048.db2.gz VQMIZMATTNKNKB-UHFFFAOYSA-N 0 3 295.339 1.293 20 5 CDBDHN C[C@@H]1[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCCN1C ZINC000342834859 361750530 /nfs/dbraw/zinc/75/05/30/361750530.db2.gz LARPUCXNTJGFJV-KOLCDFICSA-N 0 3 292.339 1.588 20 5 CDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)CN1 ZINC000591433870 342631448 /nfs/dbraw/zinc/63/14/48/342631448.db2.gz CEENIHWNWZORSS-SFYZADRCSA-N 0 3 254.265 1.316 20 5 CDBDHN CCOC(=O)Cc1ccc(NCCN(C)C)c([N+](=O)[O-])c1 ZINC000591888837 342653101 /nfs/dbraw/zinc/65/31/01/342653101.db2.gz FCQZLVNXERMOCZ-UHFFFAOYSA-N 0 3 295.339 1.674 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](F)CN2)c1 ZINC000591686198 342643262 /nfs/dbraw/zinc/64/32/62/342643262.db2.gz REOWMFVAYHNVKB-UWVGGRQHSA-N 0 3 281.287 1.333 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1COCCN1)CCC2 ZINC000600707686 342243200 /nfs/dbraw/zinc/24/32/00/342243200.db2.gz ACVNCAAGWGEEPX-IUODEOHRSA-N 0 3 291.351 1.550 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CNc2ccnn2C1 ZINC000609406056 342293060 /nfs/dbraw/zinc/29/30/60/342293060.db2.gz GQRRIHZJEGOBIT-LLVKDONJSA-N 0 3 287.323 1.623 20 5 CDBDHN O=C(C[C@H]1CSCCN1)NCc1cccc([N+](=O)[O-])c1 ZINC000091291083 349725153 /nfs/dbraw/zinc/72/51/53/349725153.db2.gz UESLDSDBELTXLR-NSHDSACASA-N 0 3 295.364 1.306 20 5 CDBDHN Cn1ccnc1[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000534581373 282201327 /nfs/dbraw/zinc/20/13/27/282201327.db2.gz IEMKWSIDXXNPGV-NSHDSACASA-N 0 3 290.327 1.014 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000457208849 365715084 /nfs/dbraw/zinc/71/50/84/365715084.db2.gz OKGGRPSXDOYNFR-UHFFFAOYSA-N 0 3 283.303 1.804 20 5 CDBDHN O=c1[n-]ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596119107 343232799 /nfs/dbraw/zinc/23/27/99/343232799.db2.gz JNUYZYAIHHQABW-JTQLQIEISA-N 0 3 278.312 1.592 20 5 CDBDHN O=c1[n-]ccc(N[C@H]2CC[N@@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596119107 343232802 /nfs/dbraw/zinc/23/28/02/343232802.db2.gz JNUYZYAIHHQABW-JTQLQIEISA-N 0 3 278.312 1.592 20 5 CDBDHN CC[N@H+](C)C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596141284 343241852 /nfs/dbraw/zinc/24/18/52/343241852.db2.gz HVPMLEFWRRTIDJ-SNVBAGLBSA-N 0 3 280.328 1.473 20 5 CDBDHN CC[N@@H+](C)C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596141284 343241854 /nfs/dbraw/zinc/24/18/54/343241854.db2.gz HVPMLEFWRRTIDJ-SNVBAGLBSA-N 0 3 280.328 1.473 20 5 CDBDHN COC[C@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000382541788 362163195 /nfs/dbraw/zinc/16/31/95/362163195.db2.gz BDPKVMFWXYHNSU-GXFFZTMASA-N 0 3 268.313 1.643 20 5 CDBDHN CCOC(=O)c1cc(NCCN(C)C)ccc1[N+](=O)[O-] ZINC000090998393 342398272 /nfs/dbraw/zinc/39/82/72/342398272.db2.gz JQGBJQWJLBKNGK-UHFFFAOYSA-N 0 3 281.312 1.745 20 5 CDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN(C2CC2)C1 ZINC000139670689 342432739 /nfs/dbraw/zinc/43/27/39/342432739.db2.gz LVIXPZUEIXTVMS-LLVKDONJSA-N 0 3 290.323 1.953 20 5 CDBDHN CC1(C)CC[C@@H](CO)N(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000598647479 343857122 /nfs/dbraw/zinc/85/71/22/343857122.db2.gz MXRLAUBHABWTER-NSHDSACASA-N 0 3 282.344 1.274 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@H](O)CC2)c1 ZINC000293037001 362526713 /nfs/dbraw/zinc/52/67/13/362526713.db2.gz GPRTVSBMGOTQHV-CYBMUJFWSA-N 0 3 250.298 1.942 20 5 CDBDHN CN1C[C@@H]2CN(c3sccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000618686168 345998991 /nfs/dbraw/zinc/99/89/91/345998991.db2.gz DWEBADKJCMXBOU-DTORHVGOSA-N 0 3 253.327 1.654 20 5 CDBDHN CN(Cc1ccccc1)C[C@@H](O)Cn1ccc([N+](=O)[O-])n1 ZINC000305291248 349945890 /nfs/dbraw/zinc/94/58/90/349945890.db2.gz GDRMPRXGWSWQRW-CYBMUJFWSA-N 0 3 290.323 1.284 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCCN(CCCO)C1 ZINC000295138138 199366895 /nfs/dbraw/zinc/36/68/95/199366895.db2.gz PLULWIKNBQVDFP-AWEZNQCLSA-N 0 3 293.367 1.531 20 5 CDBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)[C@H]2C1 ZINC000611510290 346800855 /nfs/dbraw/zinc/80/08/55/346800855.db2.gz HMHXTXJJYNALCV-JQWIXIFHSA-N 0 3 262.313 1.520 20 5 CDBDHN CN1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000054147824 347816700 /nfs/dbraw/zinc/81/67/00/347816700.db2.gz CONRQIZTDQZZNJ-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN C[C@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000073656702 349172972 /nfs/dbraw/zinc/17/29/72/349172972.db2.gz XZIXCKWLJQUCSY-SNVBAGLBSA-N 0 3 280.328 1.527 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000106364170 186110274 /nfs/dbraw/zinc/11/02/74/186110274.db2.gz MPZVWRVFZZHTCD-LLVKDONJSA-N 0 3 295.314 1.900 20 5 CDBDHN Cc1[nH]nc(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000069536708 351187466 /nfs/dbraw/zinc/18/74/66/351187466.db2.gz HYNBUCJWDIZGQV-UHFFFAOYSA-N 0 3 295.343 1.183 20 5 CDBDHN Cc1n[nH]c(C(=O)N2CCCN(C(C)C)CC2)c1[N+](=O)[O-] ZINC000069536708 351187467 /nfs/dbraw/zinc/18/74/67/351187467.db2.gz HYNBUCJWDIZGQV-UHFFFAOYSA-N 0 3 295.343 1.183 20 5 CDBDHN CN1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000271766091 191313604 /nfs/dbraw/zinc/31/36/04/191313604.db2.gz ATJQRMRWBVFHIO-UHFFFAOYSA-N 0 3 293.298 1.726 20 5 CDBDHN C[C@H](Nc1c([N+](=O)[O-])ncn1C)C1=CCN(C)CC1 ZINC000273007138 192015423 /nfs/dbraw/zinc/01/54/23/192015423.db2.gz RVUCHUYUOQAZFQ-VIFPVBQESA-N 0 3 265.317 1.391 20 5 CDBDHN COC[C@@H](CCO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219223994 356239167 /nfs/dbraw/zinc/23/91/67/356239167.db2.gz CANOSDVNWXQDPK-ZYHUDNBSSA-N 0 3 268.313 1.643 20 5 CDBDHN COc1ccc(CNC[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000134695763 356379372 /nfs/dbraw/zinc/37/93/72/356379372.db2.gz RWMBIUSDFQCBMZ-LBPRGKRZSA-N 0 3 268.313 1.710 20 5 CDBDHN C[C@H]1[NH2+]CC[C@@H]1[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001579500024 1172200059 /nfs/dbraw/zinc/20/00/59/1172200059.db2.gz PLFWBHLEGUJPEI-KCJUWKMLSA-N 0 3 299.277 1.553 20 5 CDBDHN COc1cccc(NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000134908127 356460254 /nfs/dbraw/zinc/46/02/54/356460254.db2.gz KNIGQYNHYYWVGK-SECBINFHSA-N 0 3 253.302 1.965 20 5 CDBDHN C[C@H]1C[C@@H]1N1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774456 291096584 /nfs/dbraw/zinc/09/65/84/291096584.db2.gz YNMAHYSWSOVYKC-SRVKXCTJSA-N 0 3 293.371 1.495 20 5 CDBDHN CC(C)N(CCN(C)C)c1ccc([N+](=O)[O-])cn1 ZINC000274330748 356766029 /nfs/dbraw/zinc/76/60/29/356766029.db2.gz FTDFRFFQXQAMRA-UHFFFAOYSA-N 0 3 252.318 1.766 20 5 CDBDHN CN(C[C@H](O)COc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000290514167 357210607 /nfs/dbraw/zinc/21/06/07/357210607.db2.gz BSWYXNAXIJBTJT-NSHDSACASA-N 0 3 284.287 1.568 20 5 CDBDHN CN(C[C@H](O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290729689 357460646 /nfs/dbraw/zinc/46/06/46/357460646.db2.gz FTQJUZNHRUYRAI-LBPRGKRZSA-N 0 3 266.297 1.429 20 5 CDBDHN CN(C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290729687 357461904 /nfs/dbraw/zinc/46/19/04/357461904.db2.gz FTQJUZNHRUYRAI-GFCCVEGCSA-N 0 3 266.297 1.429 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000186751819 357684165 /nfs/dbraw/zinc/68/41/65/357684165.db2.gz NCZGMQXQNLTKLZ-UHFFFAOYSA-N 0 3 292.339 1.343 20 5 CDBDHN CC1CCN(CCSc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000567292247 358655949 /nfs/dbraw/zinc/65/59/49/358655949.db2.gz KSQDBUOVOYWEAD-UHFFFAOYSA-N 0 3 297.384 1.621 20 5 CDBDHN C[C@@H]1OCC[C@@]1(O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486430 358687780 /nfs/dbraw/zinc/68/77/80/358687780.db2.gz JPRVGFHMFHOPTH-PSOPSSQASA-N 0 3 292.335 1.712 20 5 CDBDHN C[C@H]1SCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1C ZINC000176248916 358750149 /nfs/dbraw/zinc/75/01/49/358750149.db2.gz HRJCDHVWERQQGB-NXEZZACHSA-N 0 3 270.358 1.617 20 5 CDBDHN O=[N+]([O-])c1c(NCCN2CCCC2)nc2ccccn21 ZINC000072883414 358741449 /nfs/dbraw/zinc/74/14/49/358741449.db2.gz XONYXNXQDWHENB-UHFFFAOYSA-N 0 3 275.312 1.750 20 5 CDBDHN CO[C@@H]1C[C@H](N(C)CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000451851865 359087845 /nfs/dbraw/zinc/08/78/45/359087845.db2.gz NDQCDUJTMGALSM-NWDGAFQWSA-N 0 3 294.355 1.681 20 5 CDBDHN Cc1ccccc1[C@H](CO)NCCn1cc([N+](=O)[O-])cn1 ZINC000541983843 359099721 /nfs/dbraw/zinc/09/97/21/359099721.db2.gz SVUXGJCQUDSQBS-AWEZNQCLSA-N 0 3 290.323 1.423 20 5 CDBDHN C[C@H](C[S@](C)=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570175351 359289768 /nfs/dbraw/zinc/28/97/68/359289768.db2.gz IXCFWATWAGOZET-AZNYZMOJSA-N 0 3 282.365 1.939 20 5 CDBDHN Cc1c(CN2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000050116730 359318093 /nfs/dbraw/zinc/31/80/93/359318093.db2.gz AGHKVHSDZDFEQZ-LBPRGKRZSA-N 0 3 250.298 1.860 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](CO)C2)cc1 ZINC000050104488 359303847 /nfs/dbraw/zinc/30/38/47/359303847.db2.gz XDHJYCZBLNOMKJ-ZDUSSCGKSA-N 0 3 264.325 1.842 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)C1CC1 ZINC000265102645 359267065 /nfs/dbraw/zinc/26/70/65/359267065.db2.gz TWBWTAANNRZKSL-CYBMUJFWSA-N 0 3 280.324 1.854 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015926 359275406 /nfs/dbraw/zinc/27/54/06/359275406.db2.gz QIAKHLVNQQATHA-CABZTGNLSA-N 0 3 265.313 1.584 20 5 CDBDHN CC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000339037622 359277410 /nfs/dbraw/zinc/27/74/10/359277410.db2.gz NDFXUNQHVWRKDR-PWSUYJOCSA-N 0 3 280.328 1.247 20 5 CDBDHN CCN(C)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000112925443 359365833 /nfs/dbraw/zinc/36/58/33/359365833.db2.gz WJULAMXDGSAWAB-UHFFFAOYSA-N 0 3 295.339 1.432 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000339618066 359416657 /nfs/dbraw/zinc/41/66/57/359416657.db2.gz ALDDRODAMPMEBU-STQMWFEESA-N 0 3 293.367 1.998 20 5 CDBDHN COC(=O)Cc1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 ZINC000297373143 200167503 /nfs/dbraw/zinc/16/75/03/200167503.db2.gz CXGFDQAZSSIWNT-UHFFFAOYSA-N 0 3 295.339 1.308 20 5 CDBDHN CN1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000154668953 360377627 /nfs/dbraw/zinc/37/76/27/360377627.db2.gz FARNWWHTBPDLMD-LBPRGKRZSA-N 0 3 295.314 1.487 20 5 CDBDHN C[C@]1(O)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178022040 189086609 /nfs/dbraw/zinc/08/66/09/189086609.db2.gz WCSHIARCNDYWKD-AWEZNQCLSA-N 0 3 293.323 1.380 20 5 CDBDHN COCCN1CCC(Nc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178185768 189096032 /nfs/dbraw/zinc/09/60/32/189096032.db2.gz WGIUWRPQBWSIAH-UHFFFAOYSA-N 0 3 294.355 1.821 20 5 CDBDHN CN1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000035099620 361241166 /nfs/dbraw/zinc/24/11/66/361241166.db2.gz VNHHIFGTXAGMJW-UHFFFAOYSA-N 0 3 281.341 1.810 20 5 CDBDHN CCN(C)C(=O)[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000231851898 364981539 /nfs/dbraw/zinc/98/15/39/364981539.db2.gz IEPHLEQADHGRRP-LLVKDONJSA-N 0 3 279.340 1.594 20 5 CDBDHN COC(=O)C(C)(C)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000182237586 365075781 /nfs/dbraw/zinc/07/57/81/365075781.db2.gz WBQVPDGPQGREHO-UHFFFAOYSA-N 0 3 296.323 1.892 20 5 CDBDHN CN1CC[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)C[C@@H]21 ZINC000580282697 365448011 /nfs/dbraw/zinc/44/80/11/365448011.db2.gz OOEVKNLZKPJSSE-YGRLFVJLSA-N 0 3 288.351 1.703 20 5 CDBDHN CCc1nn(C)c(N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420636987 244303610 /nfs/dbraw/zinc/30/36/10/244303610.db2.gz OCGUXULFWPLNFD-SNVBAGLBSA-N 0 3 281.360 1.421 20 5 CDBDHN NC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCC1 ZINC000295642084 370538639 /nfs/dbraw/zinc/53/86/39/370538639.db2.gz IEVBQPAAAFOWHD-UHFFFAOYSA-N 0 3 278.312 1.004 20 5 CDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NC1(C(N)=O)CC1 ZINC000191486865 373501277 /nfs/dbraw/zinc/50/12/77/373501277.db2.gz OFBDRKAGNNXWEF-SNVBAGLBSA-N 0 3 277.324 1.523 20 5 CDBDHN C[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)N(C)C ZINC000298383398 373516493 /nfs/dbraw/zinc/51/64/93/373516493.db2.gz ZQAPMWFZRWQTCD-JTQLQIEISA-N 0 3 281.312 1.040 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000375695966 374507345 /nfs/dbraw/zinc/50/73/45/374507345.db2.gz GFNRLSJQHRXLEE-NWDGAFQWSA-N 0 3 292.339 1.452 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081555682 374519519 /nfs/dbraw/zinc/51/95/19/374519519.db2.gz RNLVMKPTYFAYBJ-LLVKDONJSA-N 0 3 295.339 1.288 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)[C@@H]1CCCO1 ZINC000447968988 374728022 /nfs/dbraw/zinc/72/80/22/374728022.db2.gz TYPHAWFYKGZQFZ-KBPBESRZSA-N 0 3 280.324 1.533 20 5 CDBDHN C[S@@](=O)C1(CNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000280698064 375014952 /nfs/dbraw/zinc/01/49/52/375014952.db2.gz SEQBIIZSCOWREH-LJQANCHMSA-N 0 3 282.365 1.986 20 5 CDBDHN CN(CCOCCO)CCc1cccc([N+](=O)[O-])c1 ZINC000282516184 375090569 /nfs/dbraw/zinc/09/05/69/375090569.db2.gz SNSRRIGRWCYIMM-UHFFFAOYSA-N 0 3 268.313 1.078 20 5 CDBDHN Cc1c(CN2[C@@H](CO)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000347306462 375496336 /nfs/dbraw/zinc/49/63/36/375496336.db2.gz IVZMTXMWONGOAI-BETUJISGSA-N 0 3 280.324 1.221 20 5 CDBDHN CCCN(C)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000195009048 375975442 /nfs/dbraw/zinc/97/54/42/375975442.db2.gz FJPSWQBLDVYNCQ-UHFFFAOYSA-N 0 3 279.340 1.895 20 5 CDBDHN C[C@H](NCCN1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173383381 378306794 /nfs/dbraw/zinc/30/67/94/378306794.db2.gz STJIMPVXQHVUOG-OLZOCXBDSA-N 0 3 293.367 1.966 20 5 CDBDHN COc1ccc(CN(C[C@H](C)O)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000190865786 378992540 /nfs/dbraw/zinc/99/25/40/378992540.db2.gz PXINUFKIZOIJMZ-QWRGUYRKSA-N 0 3 298.339 1.167 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)[C@H]2CCCO2)cc1 ZINC000447913692 250446179 /nfs/dbraw/zinc/44/61/79/250446179.db2.gz JMHQOOHQVQHNQV-QWHCGFSZSA-N 0 3 266.297 1.224 20 5 CDBDHN CN(C)CCN(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492083082 253152067 /nfs/dbraw/zinc/15/20/67/253152067.db2.gz GIYYFQKQMCPFAY-ALCCZGGFSA-N 0 3 295.314 1.767 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCCN(C)CCOC ZINC000289033522 197218294 /nfs/dbraw/zinc/21/82/94/197218294.db2.gz YPSDLMGIVVNAJU-UHFFFAOYSA-N 0 3 285.348 1.110 20 5 CDBDHN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000497205587 254038266 /nfs/dbraw/zinc/03/82/66/254038266.db2.gz XNXKMRGQBYCVEO-RKDXNWHRSA-N 0 3 290.316 1.498 20 5 CDBDHN COCC[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000281114914 285167308 /nfs/dbraw/zinc/16/73/08/285167308.db2.gz ADXTYJWDBVZDQN-ZYHUDNBSSA-N 0 3 268.313 1.643 20 5 CDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000286025951 390188984 /nfs/dbraw/zinc/18/89/84/390188984.db2.gz ZUYSFYKBSJUFEV-MNOVXSKESA-N 0 3 293.323 1.887 20 5 CDBDHN COCCN(C)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413108738 391157968 /nfs/dbraw/zinc/15/79/68/391157968.db2.gz FIJHTPZAXSQDIH-UHFFFAOYSA-N 0 3 272.280 1.119 20 5 CDBDHN C[C@@H](NCc1c([N+](=O)[O-])ncn1C)C1CCOCC1 ZINC000341996635 130188579 /nfs/dbraw/zinc/18/85/79/130188579.db2.gz SQIIRKJVWUKWIA-SECBINFHSA-N 0 3 268.317 1.233 20 5 CDBDHN CC[C@@]1(O)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495209151 391905741 /nfs/dbraw/zinc/90/57/41/391905741.db2.gz AFGXXYQTFPMXPV-CYBMUJFWSA-N 0 3 250.298 1.942 20 5 CDBDHN COc1ccc(CNC[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000316515568 391946085 /nfs/dbraw/zinc/94/60/85/391946085.db2.gz YMGUFOPAGOSIPR-ZDUSSCGKSA-N 0 3 280.324 1.854 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCCOCCO)c1 ZINC000227333422 130841025 /nfs/dbraw/zinc/84/10/25/130841025.db2.gz OCIFGUXJUCQDEY-UHFFFAOYSA-N 0 3 254.286 1.083 20 5 CDBDHN C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000237428544 131029861 /nfs/dbraw/zinc/02/98/61/131029861.db2.gz OGSYFCLPSJABMS-MNOVXSKESA-N 0 3 293.323 1.182 20 5 CDBDHN C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000237428827 131029884 /nfs/dbraw/zinc/02/98/84/131029884.db2.gz OVCVVFJZZNUYHH-MNOVXSKESA-N 0 3 293.323 1.182 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000262885606 131270981 /nfs/dbraw/zinc/27/09/81/131270981.db2.gz WJVXISCQAIQIBX-BDAKNGLRSA-N 0 3 281.287 1.556 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)nc1 ZINC000263676158 131307016 /nfs/dbraw/zinc/30/70/16/131307016.db2.gz HGXKKQIWYJSYGP-LBPRGKRZSA-N 0 3 292.339 1.148 20 5 CDBDHN CN(CCN1CCCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000301170615 392528987 /nfs/dbraw/zinc/52/89/87/392528987.db2.gz DZVHTKAQRMRHMA-UHFFFAOYSA-N 0 3 295.368 1.836 20 5 CDBDHN CON1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000421395425 392935162 /nfs/dbraw/zinc/93/51/62/392935162.db2.gz IMHCNLVEQNFDQR-UHFFFAOYSA-N 0 3 283.303 1.849 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCn3ccnc3C2)cc1 ZINC000494414613 393231858 /nfs/dbraw/zinc/23/18/58/393231858.db2.gz WNUMKVSUIQBJQK-GFCCVEGCSA-N 0 3 272.308 1.896 20 5 CDBDHN COCCNCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000216060930 140162356 /nfs/dbraw/zinc/16/23/56/140162356.db2.gz ZJAOFNRBANNZOU-UHFFFAOYSA-N 0 3 290.323 1.791 20 5 CDBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1O ZINC000352659474 155331043 /nfs/dbraw/zinc/33/10/43/155331043.db2.gz JTPPKHMUGCLQKJ-QWHCGFSZSA-N 0 3 250.298 1.940 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCCC[C@@H]1C ZINC000349873010 154250547 /nfs/dbraw/zinc/25/05/47/154250547.db2.gz JJMVFXDBFGZNAS-UWVGGRQHSA-N 0 3 295.343 1.311 20 5 CDBDHN CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)N(C)C ZINC000356140813 157371132 /nfs/dbraw/zinc/37/11/32/157371132.db2.gz GZSIJKSOFPPHPO-JTQLQIEISA-N 0 3 297.359 1.034 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC3(C2)CCCC3)c1 ZINC000372494439 160125840 /nfs/dbraw/zinc/12/58/40/160125840.db2.gz JLMBSGBDMGABFV-LBPRGKRZSA-N 0 3 280.328 1.028 20 5 CDBDHN CC(C)N1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020448596 171207703 /nfs/dbraw/zinc/20/77/03/171207703.db2.gz ZVZQVHCYRITQAE-UHFFFAOYSA-N 0 3 281.312 1.790 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCC1(N(C)C)CC1 ZINC000397921563 270352754 /nfs/dbraw/zinc/35/27/54/270352754.db2.gz LLVYIVRBTVQRMT-UHFFFAOYSA-N 0 3 267.333 1.626 20 5 CDBDHN C[C@H](NC(=O)[C@@H](N)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000399016703 270366878 /nfs/dbraw/zinc/36/68/78/270366878.db2.gz GFRZPZPMIIVNRR-ZANVPECISA-N 0 3 277.324 1.899 20 5 CDBDHN Cc1nc(N2CCC[C@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000450262276 274840986 /nfs/dbraw/zinc/84/09/86/274840986.db2.gz RVLTUTCEYMXBHK-LBPRGKRZSA-N 0 3 291.355 1.758 20 5 CDBDHN CNC(=O)[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449202865 277240737 /nfs/dbraw/zinc/24/07/37/277240737.db2.gz KOIJVWYMZKCQLF-FZMZJTMJSA-N 0 3 293.367 1.886 20 5 CDBDHN COC[C@@H](O)CCNCc1ccccc1[N+](=O)[O-] ZINC000153740050 277572032 /nfs/dbraw/zinc/57/20/32/277572032.db2.gz CELVQQPGRLASOC-NSHDSACASA-N 0 3 254.286 1.082 20 5 CDBDHN C[C@@H]1C[C@@H](C)CN(CCn2cccc([N+](=O)[O-])c2=O)C1 ZINC000565243352 293576794 /nfs/dbraw/zinc/57/67/94/293576794.db2.gz XRALBDZSRBMTAW-VXGBXAGGSA-N 0 3 279.340 1.734 20 5 CDBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000340618985 519674319 /nfs/dbraw/zinc/67/43/19/519674319.db2.gz DJMXJWLNKIHNTI-UHFFFAOYSA-N 0 3 280.328 1.479 20 5 CDBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC000354355173 521720442 /nfs/dbraw/zinc/72/04/42/521720442.db2.gz XQCMOHCBFCILPS-ZJUUUORDSA-N 0 3 294.359 1.106 20 5 CDBDHN CO[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000363673678 523596500 /nfs/dbraw/zinc/59/65/00/523596500.db2.gz LMGGXQVSCVIHLT-CYBMUJFWSA-N 0 3 295.339 1.257 20 5 CDBDHN COc1ccc(CN[C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000049235664 524074399 /nfs/dbraw/zinc/07/43/99/524074399.db2.gz WMIUMJVHOYYTSI-NSHDSACASA-N 0 3 290.323 1.978 20 5 CDBDHN Cc1ccc(CN[C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000161570974 524591349 /nfs/dbraw/zinc/59/13/49/524591349.db2.gz RPWFJHVAWONMFG-VIFPVBQESA-N 0 3 251.286 1.257 20 5 CDBDHN C[C@@H](N[C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018642 525631066 /nfs/dbraw/zinc/63/10/66/525631066.db2.gz YLLWRHGGGAGMOS-MWLCHTKSSA-N 0 3 263.297 1.524 20 5 CDBDHN NC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000052943225 527127305 /nfs/dbraw/zinc/12/73/05/527127305.db2.gz HXJXCIHXQBWBRK-UHFFFAOYSA-N 0 3 263.297 1.483 20 5 CDBDHN NC(=O)C1(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000750104282 576975964 /nfs/dbraw/zinc/97/59/64/576975964.db2.gz FRRRZVRECASPFP-LBPRGKRZSA-N 0 3 293.323 1.016 20 5 CDBDHN COc1c(O)ccc(CNC[C@H](C)OC)c1[N+](=O)[O-] ZINC000893911538 618168844 /nfs/dbraw/zinc/16/88/44/618168844.db2.gz QQPMQDWZQQHRMM-QMMMGPOBSA-N 0 3 270.285 1.434 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCON ZINC000904457605 626301615 /nfs/dbraw/zinc/30/16/15/626301615.db2.gz QRXWZSTZWBMWRQ-UHFFFAOYSA-N 0 3 269.301 1.364 20 5 CDBDHN O=[N+]([O-])CCN[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000905278525 626733300 /nfs/dbraw/zinc/73/33/00/626733300.db2.gz IFGQNFUNOBWESW-RYUDHWBXSA-N 0 3 251.286 1.168 20 5 CDBDHN CN1CCC[C@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000917483250 632222008 /nfs/dbraw/zinc/22/20/08/632222008.db2.gz CDXMAEINFIUJMV-JTQLQIEISA-N 0 3 250.302 1.763 20 5 CDBDHN COc1ccc(C[C@@H](C)N2CCC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170327225 1162337708 /nfs/dbraw/zinc/33/77/08/1162337708.db2.gz GABUKHKGASLTAY-YPMHNXCESA-N 0 3 294.351 1.991 20 5 CDBDHN CC1(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001131475238 1162919810 /nfs/dbraw/zinc/91/98/10/1162919810.db2.gz IFJNIMIVFWDQCM-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN C[C@@H](Nc1ccc2nc[nH]c2c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170574819 1162977392 /nfs/dbraw/zinc/97/73/92/1162977392.db2.gz UFZIISWNJYYWBO-LDYMZIIASA-N 0 3 291.311 1.260 20 5 CDBDHN CC(C)(CCC(=O)N[C@H]1CCN(C2CC2)C1)[N+](=O)[O-] ZINC000822767663 828823010 /nfs/dbraw/zinc/82/30/10/828823010.db2.gz CITMBUWPCVAQMC-JTQLQIEISA-N 0 3 269.345 1.175 20 5 CDBDHN CCOCCOCCNCc1ccc([N+](=O)[O-])cc1 ZINC000922941298 832394480 /nfs/dbraw/zinc/39/44/80/832394480.db2.gz JGNUZFPYGAZWPS-UHFFFAOYSA-N 0 3 268.313 1.738 20 5 CDBDHN CCO[C@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932969923 833268329 /nfs/dbraw/zinc/26/83/29/833268329.db2.gz RKJZLGIUJVEUFM-UONOGXRCSA-N 0 3 280.324 1.739 20 5 CDBDHN CC(COC(=O)Cc1c[nH]c2ccccc12)[N+](=O)[O-] ZINC000813106271 828928718 /nfs/dbraw/zinc/92/87/18/828928718.db2.gz BUUUXBIPMAHQTF-VIFPVBQESA-N 0 3 262.265 1.919 20 5 CDBDHN CC(COC(=O)c1cccc(C(F)(F)F)n1)[N+](=O)[O-] ZINC000835454405 833361806 /nfs/dbraw/zinc/36/18/06/833361806.db2.gz JJPFDTJKYSLERH-LURJTMIESA-N 0 3 278.186 1.922 20 5 CDBDHN CC(COC(=O)c1ccc(-n2cccn2)cc1)[N+](=O)[O-] ZINC000813104087 829231056 /nfs/dbraw/zinc/23/10/56/829231056.db2.gz JSXDDDCXHLDLGU-SNVBAGLBSA-N 0 3 275.264 1.694 20 5 CDBDHN CC(COC(=O)c1cc(-n2ccnn2)ccc1F)[N+](=O)[O-] ZINC000851036378 830317703 /nfs/dbraw/zinc/31/77/03/830317703.db2.gz IRTKLNYLLHXMCO-MRVPVSSYSA-N 0 3 294.242 1.228 20 5 CDBDHN C[C@@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000856795752 833830344 /nfs/dbraw/zinc/83/03/44/833830344.db2.gz IVKRKZQNOHWEDN-ZLDLUXBVSA-N 0 3 294.351 1.579 20 5 CDBDHN C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815572500 832414497 /nfs/dbraw/zinc/41/44/97/832414497.db2.gz FIQMDIZJOCFEST-PSASIEDQSA-N 0 3 278.312 1.058 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](CO)C2)cc1 ZINC000776272272 832419456 /nfs/dbraw/zinc/41/94/56/832419456.db2.gz SJMHCOUJQDWWAP-FZMZJTMJSA-N 0 3 280.324 1.333 20 5 CDBDHN CC(COC(=O)/C=C\c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813102772 833868290 /nfs/dbraw/zinc/86/82/90/833868290.db2.gz VGSCQGJBSQVNIN-LVCFMKKZSA-N 0 3 279.248 1.637 20 5 CDBDHN CC(COC(=O)[C@@H]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000845575956 832509410 /nfs/dbraw/zinc/50/94/10/832509410.db2.gz JLYBEUXZQVOCOS-ZWNOBZJWSA-N 0 3 263.293 2.000 20 5 CDBDHN CN(CCO)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000884824305 832733688 /nfs/dbraw/zinc/73/36/88/832733688.db2.gz VLDCINMQFOXHBW-UHFFFAOYSA-N 0 3 257.265 1.070 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(F)CC2)c1 ZINC000880245190 832918584 /nfs/dbraw/zinc/91/85/84/832918584.db2.gz NCQPYFIIYZNORL-ZDUSSCGKSA-N 0 3 298.314 1.768 20 5 CDBDHN COc1ccc2c(c1)C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CO2 ZINC000813110197 833948437 /nfs/dbraw/zinc/94/84/37/833948437.db2.gz UPXVIIRABXFJGO-MWLCHTKSSA-N 0 3 295.291 1.455 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(CCF)CC2)C1 ZINC001169035988 927644534 /nfs/dbraw/zinc/64/45/34/927644534.db2.gz MKBNAMZRUVQFTQ-RYUDHWBXSA-N 0 3 259.325 1.019 20 5 CDBDHN O=C1CC[C@]2(CCCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169044810 927657313 /nfs/dbraw/zinc/65/73/13/927657313.db2.gz IYQWWZJJRLTGOV-DYEKYZERSA-N 0 3 282.340 1.603 20 5 CDBDHN CCCNC(=O)[C@@H]1CCCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169026519 927667382 /nfs/dbraw/zinc/66/73/82/927667382.db2.gz LYJSBNKOXXHGII-IHRRRGAJSA-N 0 3 297.399 1.813 20 5 CDBDHN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056330 927672226 /nfs/dbraw/zinc/67/22/26/927672226.db2.gz RVJXZZXNDGCNCA-KVSVUVNWSA-N 0 3 282.340 1.458 20 5 CDBDHN C[C@@H](N)c1cn(Cc2c(F)cc([N+](=O)[O-])cc2F)nn1 ZINC000881353030 929822085 /nfs/dbraw/zinc/82/20/85/929822085.db2.gz DXKNWIPFNWVGSD-ZCFIWIBFSA-N 0 3 283.238 1.533 20 5 CDBDHN CCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001153990165 937488990 /nfs/dbraw/zinc/48/89/90/937488990.db2.gz TUVMCOOKKGKFKX-UHFFFAOYSA-N 0 3 265.313 1.601 20 5 CDBDHN CC(COC(=O)[C@@H]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000845575947 931851060 /nfs/dbraw/zinc/85/10/60/931851060.db2.gz JLYBEUXZQVOCOS-GXFFZTMASA-N 0 3 263.293 2.000 20 5 CDBDHN CSCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154417331 937542288 /nfs/dbraw/zinc/54/22/88/937542288.db2.gz DEBTYZWMFPBYII-UHFFFAOYSA-N 0 3 297.380 1.554 20 5 CDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(-n2cnc(CN)c2)n1 ZINC001154906126 937602398 /nfs/dbraw/zinc/60/23/98/937602398.db2.gz BJEBJRKWVWTCHU-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CCCCN1C ZINC001120971491 937850831 /nfs/dbraw/zinc/85/08/31/937850831.db2.gz AIGYAKVWTFQPQB-VIFPVBQESA-N 0 3 253.306 1.225 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCCCN1C ZINC001120972067 937851069 /nfs/dbraw/zinc/85/10/69/937851069.db2.gz LNZAKXYGICVLNO-NSHDSACASA-N 0 3 264.329 1.616 20 5 CDBDHN Cc1cc(NC(=O)[C@@H](N)C(C)C)cc([N+](=O)[O-])c1 ZINC001122511599 937938730 /nfs/dbraw/zinc/93/87/30/937938730.db2.gz WQUOLAPHYAJZFB-NSHDSACASA-N 0 3 251.286 1.825 20 5 CDBDHN Cc1cnc(N[C@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159489964 938732071 /nfs/dbraw/zinc/73/20/71/938732071.db2.gz SGKOIBGASJBWTL-KOLCDFICSA-N 0 3 266.301 1.087 20 5 CDBDHN Cc1c(C)c(N2CC[C@@H]3NCCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165271392 939538524 /nfs/dbraw/zinc/53/85/24/939538524.db2.gz SQYQEFMHTFZHGQ-AAEUAGOBSA-N 0 3 292.339 1.174 20 5 CDBDHN CC[N@@H+]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666467 941897309 /nfs/dbraw/zinc/89/73/09/941897309.db2.gz JIFAVKDABYECSC-SECBINFHSA-N 0 3 267.285 1.559 20 5 CDBDHN CC[N@H+]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225666467 941897314 /nfs/dbraw/zinc/89/73/14/941897314.db2.gz JIFAVKDABYECSC-SECBINFHSA-N 0 3 267.285 1.559 20 5 CDBDHN CN1C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001303986136 944291189 /nfs/dbraw/zinc/29/11/89/944291189.db2.gz OUOMTHABPYPJBG-GFCCVEGCSA-N 0 3 292.339 1.247 20 5 CDBDHN Cn1cnc(CN[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254565235 947528278 /nfs/dbraw/zinc/52/82/78/947528278.db2.gz CINVBBCIIRCZBW-GFCCVEGCSA-N 0 3 272.308 1.585 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN(C3CC3)CC1)C2 ZINC001254601029 947550290 /nfs/dbraw/zinc/55/02/90/947550290.db2.gz XJYAFHODSLWBIQ-INIZCTEOSA-N 0 3 287.363 1.842 20 5 CDBDHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001303272769 956076307 /nfs/dbraw/zinc/07/63/07/956076307.db2.gz DTGHULHSUXBTKX-NEPJUHHUSA-N 0 3 278.312 1.232 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC001303802357 956119793 /nfs/dbraw/zinc/11/97/93/956119793.db2.gz VGHZPNAYCFBZFF-XVKPBYJWSA-N 0 3 296.302 1.139 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCN1C ZINC001303802356 956119818 /nfs/dbraw/zinc/11/98/18/956119818.db2.gz VGHZPNAYCFBZFF-XCBNKYQSSA-N 0 3 296.302 1.139 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@H](C)CCCO)c1[N+](=O)[O-] ZINC001308786964 956582593 /nfs/dbraw/zinc/58/25/93/956582593.db2.gz XQAPRJUWBUDRNG-SNVBAGLBSA-N 0 3 298.339 1.807 20 5 CDBDHN CN(C)CCN(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001331274172 956934245 /nfs/dbraw/zinc/93/42/45/956934245.db2.gz DKGDGOWUNDIQGJ-UHFFFAOYSA-N 0 3 284.291 1.759 20 5 CDBDHN C[C@H](NC(=O)[C@H](N)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001340997816 963229618 /nfs/dbraw/zinc/22/96/18/963229618.db2.gz YXSLIPMSMUDYJL-TVQRCGJNSA-N 0 3 277.324 1.899 20 5 CDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccncc1)[N+](=O)[O-] ZINC001343664762 964086682 /nfs/dbraw/zinc/08/66/82/964086682.db2.gz SJMIFKXJVZNJFA-DVVUODLYSA-N 0 3 250.254 1.394 20 5 CDBDHN O=[N+]([O-])c1ccsc1NC[C@@H](O)CN1CCCCC1 ZINC000601178930 342487927 /nfs/dbraw/zinc/48/79/27/342487927.db2.gz FWAKDXGITPRMGE-SNVBAGLBSA-N 0 3 285.369 1.915 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693297 342583405 /nfs/dbraw/zinc/58/34/05/342583405.db2.gz QUSKTRYFHJSZSA-ZYHUDNBSSA-N 0 3 264.329 1.766 20 5 CDBDHN Cn1c(C(=O)N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000608906297 342084229 /nfs/dbraw/zinc/08/42/29/342084229.db2.gz XCLUUHSPOCWHGZ-NSHDSACASA-N 0 3 292.339 1.244 20 5 CDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@H](C)CN1 ZINC000591433868 342631444 /nfs/dbraw/zinc/63/14/44/342631444.db2.gz CEENIHWNWZORSS-HTQZYQBOSA-N 0 3 254.265 1.316 20 5 CDBDHN Nc1nc(N[C@H]2CCCN3CCCC[C@@H]23)ncc1[N+](=O)[O-] ZINC000594602497 342924274 /nfs/dbraw/zinc/92/42/74/342924274.db2.gz QSXLDDZRHLMWMC-UWVGGRQHSA-N 0 3 292.343 1.226 20 5 CDBDHN CCC[C@H](N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650554 342932647 /nfs/dbraw/zinc/93/26/47/342932647.db2.gz XSAJHPBQKYYUAF-VIFPVBQESA-N 0 3 262.273 1.370 20 5 CDBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC/C=C/CO ZINC000595073134 343002636 /nfs/dbraw/zinc/00/26/36/343002636.db2.gz SGOHTUBRIJDOIT-KXMPLOMGSA-N 0 3 293.323 1.450 20 5 CDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC/C=C\CO ZINC000595072262 343002741 /nfs/dbraw/zinc/00/27/41/343002741.db2.gz RCUFDQZRYYJFFJ-OTDNITJGSA-N 0 3 293.323 1.450 20 5 CDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000270784174 362020427 /nfs/dbraw/zinc/02/04/27/362020427.db2.gz PTOCVRRVQZJMIE-SNVBAGLBSA-N 0 3 293.327 1.018 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000265294327 362098896 /nfs/dbraw/zinc/09/88/96/362098896.db2.gz KZQSHVHJXMXTAI-JTQLQIEISA-N 0 3 280.328 1.337 20 5 CDBDHN Cc1nn(C)c(N[C@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596335212 343298030 /nfs/dbraw/zinc/29/80/30/343298030.db2.gz HESCDBBVWVLGQS-JTQLQIEISA-N 0 3 281.360 1.921 20 5 CDBDHN CN(C)CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000090998180 342398270 /nfs/dbraw/zinc/39/82/70/342398270.db2.gz OTBWDJSTGHYCOD-UHFFFAOYSA-N 0 3 294.311 1.525 20 5 CDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597603283 343584845 /nfs/dbraw/zinc/58/48/45/343584845.db2.gz BBFIDUWSGDAYAP-JTQLQIEISA-N 0 3 280.328 1.479 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000457223426 365785948 /nfs/dbraw/zinc/78/59/48/365785948.db2.gz PLNGGGMEDDQULU-UHFFFAOYSA-N 0 3 271.342 1.726 20 5 CDBDHN C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000598646666 343856618 /nfs/dbraw/zinc/85/66/18/343856618.db2.gz WINVFKOECNRMSJ-QWHCGFSZSA-N 0 3 294.351 1.924 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cccnc1 ZINC000602801472 344591521 /nfs/dbraw/zinc/59/15/21/344591521.db2.gz DNNBPXIYTRXMOH-JTQLQIEISA-N 0 3 275.312 1.846 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)S[C@@H](C)C1 ZINC000602778177 344594123 /nfs/dbraw/zinc/59/41/23/344594123.db2.gz CPUYDRGINIJOHW-AOOOYVTPSA-N 0 3 284.385 1.926 20 5 CDBDHN CCC[C@@]1(CO)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602827250 344612919 /nfs/dbraw/zinc/61/29/19/344612919.db2.gz BXXARIXOTUQKSG-CQSZACIVSA-N 0 3 296.371 1.584 20 5 CDBDHN O=[N+]([O-])c1ccccc1NC[C@@H]1CSCCN1 ZINC000603419334 344807786 /nfs/dbraw/zinc/80/77/86/344807786.db2.gz LZTCEVVFICSVKL-SECBINFHSA-N 0 3 253.327 1.712 20 5 CDBDHN CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)CO ZINC000293493939 362566038 /nfs/dbraw/zinc/56/60/38/362566038.db2.gz SZZOAGAVTNTZMR-VIFPVBQESA-N 0 3 256.277 1.937 20 5 CDBDHN CCN(C)C[C@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000311404064 345506811 /nfs/dbraw/zinc/50/68/11/345506811.db2.gz AQGNICILPIFWGV-NSHDSACASA-N 0 3 268.313 1.595 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)c1cccnc1[N+](=O)[O-] ZINC000609670897 345988761 /nfs/dbraw/zinc/98/87/61/345988761.db2.gz RBHUMZAQKGGCDY-LLVKDONJSA-N 0 3 264.329 1.768 20 5 CDBDHN CCc1ccc(C(=O)NCCNCCOC)cc1[N+](=O)[O-] ZINC000236963555 362707147 /nfs/dbraw/zinc/70/71/47/362707147.db2.gz BGXCZOXFFPPPJU-UHFFFAOYSA-N 0 3 295.339 1.123 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000086467398 179297330 /nfs/dbraw/zinc/29/73/30/179297330.db2.gz FPCOZYXVIWAJCB-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)CN1 ZINC000086468097 179298967 /nfs/dbraw/zinc/29/89/67/179298967.db2.gz QMXSMDNSLAPHFE-HTQZYQBOSA-N 0 3 269.326 1.479 20 5 CDBDHN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000614920848 348274165 /nfs/dbraw/zinc/27/41/65/348274165.db2.gz UGJLPSWUJIGUSD-UHFFFAOYSA-N 0 3 293.367 1.483 20 5 CDBDHN Cc1nn(C)c(NCCN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000108079100 186202909 /nfs/dbraw/zinc/20/29/09/186202909.db2.gz FQZUBQWRHNVWLX-SNVBAGLBSA-N 0 3 281.360 1.781 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[C@@H](CO)O1 ZINC000292611131 198350797 /nfs/dbraw/zinc/35/07/97/198350797.db2.gz IAKVVIVLBWFMDA-KGLIPLIRSA-N 0 3 280.324 1.533 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)[C@@H]2CCCOC2)c(F)c1 ZINC000411994164 363403121 /nfs/dbraw/zinc/40/31/21/363403121.db2.gz MUDFLOFXWYFBFF-RISCZKNCSA-N 0 3 298.314 1.611 20 5 CDBDHN C[C@H](O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000145023436 356654332 /nfs/dbraw/zinc/65/43/32/356654332.db2.gz NUTHAYVFUGCZOZ-GXFFZTMASA-N 0 3 250.298 1.940 20 5 CDBDHN Cc1ccc(OC[C@H](O)CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000290529745 357213276 /nfs/dbraw/zinc/21/32/76/357213276.db2.gz DBQXEOFICQCYDV-GFCCVEGCSA-N 0 3 280.324 1.737 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H]2CCCC[C@H]2F)c1 ZINC000564856901 357445616 /nfs/dbraw/zinc/44/56/16/357445616.db2.gz WYPAJXKPPPWQBT-IJLUTSLNSA-N 0 3 286.307 1.023 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000186790222 357690793 /nfs/dbraw/zinc/69/07/93/357690793.db2.gz PZITWBWQCUMSOL-UHFFFAOYSA-N 0 3 277.324 1.761 20 5 CDBDHN COCCN1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000264654877 357760697 /nfs/dbraw/zinc/76/06/97/357760697.db2.gz XTBJYNPAMWUHTJ-CQSZACIVSA-N 0 3 293.367 1.714 20 5 CDBDHN COC(=O)COC[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296157050 199802054 /nfs/dbraw/zinc/80/20/54/199802054.db2.gz WHPMACHDFRDCDR-QWRGUYRKSA-N 0 3 296.323 1.824 20 5 CDBDHN CCN1CCN(CCCNc2ncc([N+](=O)[O-])s2)CC1 ZINC000195508682 358433920 /nfs/dbraw/zinc/43/39/20/358433920.db2.gz AQJPSBZHRWKVTF-UHFFFAOYSA-N 0 3 299.400 1.491 20 5 CDBDHN CN(C)[C@]1(CNc2ncccc2[N+](=O)[O-])CCSC1 ZINC000267146601 358865657 /nfs/dbraw/zinc/86/56/57/358865657.db2.gz ZAYVFYSHRBBZLR-LBPRGKRZSA-N 0 3 282.369 1.839 20 5 CDBDHN CO[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847984 359085407 /nfs/dbraw/zinc/08/54/07/359085407.db2.gz JJAMOIOZLIEJPY-CHWSQXEVSA-N 0 3 294.355 1.681 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000112926354 359365135 /nfs/dbraw/zinc/36/51/35/359365135.db2.gz UPNVOQWNRCZHPH-UHFFFAOYSA-N 0 3 269.276 1.415 20 5 CDBDHN O=[N+]([O-])c1cccc(CN(CCO)C2CCC2)c1 ZINC000221156147 359464908 /nfs/dbraw/zinc/46/49/08/359464908.db2.gz QBRNWEMKODEIQB-UHFFFAOYSA-N 0 3 250.298 1.942 20 5 CDBDHN C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN(C2CCC2)C1 ZINC000572338653 360372401 /nfs/dbraw/zinc/37/24/01/360372401.db2.gz NKFHGUZSWZECFW-NSHDSACASA-N 0 3 293.371 1.639 20 5 CDBDHN Cc1nc(N2C[C@@H]3CCCN3C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297205773 360626093 /nfs/dbraw/zinc/62/60/93/360626093.db2.gz RRYUXWIGJWKVOD-ONGXEEELSA-N 0 3 277.328 1.366 20 5 CDBDHN COC[C@@H](CCO)NCc1ccc([N+](=O)[O-])cc1 ZINC000219144622 360807918 /nfs/dbraw/zinc/80/79/18/360807918.db2.gz XLGVEAFDPFAWER-LLVKDONJSA-N 0 3 254.286 1.082 20 5 CDBDHN Cc1nc(N2CC[C@H]3CCN(C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000294860408 361492903 /nfs/dbraw/zinc/49/29/03/361492903.db2.gz CZRSWTJRLCMYHY-ZYHUDNBSSA-N 0 3 277.328 1.224 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CCCC1 ZINC000063733261 363946345 /nfs/dbraw/zinc/94/63/45/363946345.db2.gz XCWPZCYKBGZILV-JTQLQIEISA-N 0 3 292.339 1.391 20 5 CDBDHN CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000581019992 363962441 /nfs/dbraw/zinc/96/24/41/363962441.db2.gz QANJYPBTOYCKNV-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CN1C1CC1 ZINC000268038921 364080546 /nfs/dbraw/zinc/08/05/46/364080546.db2.gz XLRAUOMKXQLNCF-DTWKUNHWSA-N 0 3 278.312 1.278 20 5 CDBDHN CN(C)CCN(Cc1ccco1)c1c([N+](=O)[O-])ncn1C ZINC000268325145 364731206 /nfs/dbraw/zinc/73/12/06/364731206.db2.gz NZISNIATLPHZAX-UHFFFAOYSA-N 0 3 293.327 1.490 20 5 CDBDHN Cc1c(C(=O)NCC2=CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000271935962 365016015 /nfs/dbraw/zinc/01/60/15/365016015.db2.gz WBORJRVPALARGF-UHFFFAOYSA-N 0 3 289.335 1.895 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CNCCO1 ZINC000414659022 241305217 /nfs/dbraw/zinc/30/52/17/241305217.db2.gz MFUIVGTVCNDVRN-LLVKDONJSA-N 0 3 294.311 1.013 20 5 CDBDHN CCN1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272718305 367806751 /nfs/dbraw/zinc/80/67/51/367806751.db2.gz MFFIEPKGQDBUPJ-UHFFFAOYSA-N 0 3 293.327 1.549 20 5 CDBDHN C[C@]1(CO)CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000546810746 367950723 /nfs/dbraw/zinc/95/07/23/367950723.db2.gz LDYXAMSGFYWIJO-CQSZACIVSA-N 0 3 280.324 1.820 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCOC[C@H](C3CCC3)C2)c1 ZINC000367833841 370966030 /nfs/dbraw/zinc/96/60/30/370966030.db2.gz SSZJUHBXIYOJKV-CYBMUJFWSA-N 0 3 294.355 1.540 20 5 CDBDHN COC(=O)COc1ccc(CNC(C)C)cc1[N+](=O)[O-] ZINC000037703294 369971604 /nfs/dbraw/zinc/97/16/04/369971604.db2.gz HYDZBZPHXKDTFL-UHFFFAOYSA-N 0 3 282.296 1.645 20 5 CDBDHN O=C1C[C@H](CNCc2csc([N+](=O)[O-])c2)CN1C1CC1 ZINC000520415593 371904863 /nfs/dbraw/zinc/90/48/63/371904863.db2.gz RYMSDMDIQLOMFW-SECBINFHSA-N 0 3 295.364 1.757 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000269635528 373238823 /nfs/dbraw/zinc/23/88/23/373238823.db2.gz HGUFBRHZDGWUIY-FZMZJTMJSA-N 0 3 280.324 1.597 20 5 CDBDHN Cc1cc(C(=O)NCCN(C)C)cc([N+](=O)[O-])c1 ZINC000121824662 373483543 /nfs/dbraw/zinc/48/35/43/373483543.db2.gz QCZTYZFQSKBKPG-UHFFFAOYSA-N 0 3 251.286 1.195 20 5 CDBDHN CC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272951091 373603815 /nfs/dbraw/zinc/60/38/15/373603815.db2.gz PYHRNCBBXOLKMT-SNVBAGLBSA-N 0 3 286.353 1.757 20 5 CDBDHN CN1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269701475 373848808 /nfs/dbraw/zinc/84/88/08/373848808.db2.gz MENMHJLMHMXFGK-CQSZACIVSA-N 0 3 279.340 1.266 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](C)C1 ZINC000299043800 374323886 /nfs/dbraw/zinc/32/38/86/374323886.db2.gz SAAZLUXQBFDMPU-WDEREUQCSA-N 0 3 294.355 1.773 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@](O)(C3CC3)C2)c1 ZINC000370082828 374377249 /nfs/dbraw/zinc/37/72/49/374377249.db2.gz OMWQQPMDHGKUQT-HUUCEWRRSA-N 0 3 292.335 1.475 20 5 CDBDHN CCc1nc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000449347492 374801424 /nfs/dbraw/zinc/80/14/24/374801424.db2.gz IGDIKWXDWFRMPW-JTQLQIEISA-N 0 3 289.339 1.996 20 5 CDBDHN CS[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000282222474 375073189 /nfs/dbraw/zinc/07/31/89/375073189.db2.gz ODVJLHJWWWGNGX-OLZOCXBDSA-N 0 3 296.396 1.659 20 5 CDBDHN CCC[C@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849563 375125560 /nfs/dbraw/zinc/12/55/60/375125560.db2.gz BDSGBXZFISGMJJ-KOLCDFICSA-N 0 3 267.329 1.989 20 5 CDBDHN CN1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358302204 375960648 /nfs/dbraw/zinc/96/06/48/375960648.db2.gz JKVKMEITVRSMGQ-LBPRGKRZSA-N 0 3 269.276 1.212 20 5 CDBDHN Cc1c[nH]nc1CNCCc1cccc([N+](=O)[O-])c1 ZINC000289465687 197361235 /nfs/dbraw/zinc/36/12/35/197361235.db2.gz INEUSCFHWJWHGD-UHFFFAOYSA-N 0 3 260.297 1.959 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CNC3CCOCC3)nc2c1 ZINC000446845323 250318966 /nfs/dbraw/zinc/31/89/66/250318966.db2.gz MBSNEDSBJMDDEV-UHFFFAOYSA-N 0 3 276.296 1.740 20 5 CDBDHN CCN1CCC[C@@H]1CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000450219268 251178144 /nfs/dbraw/zinc/17/81/44/251178144.db2.gz VXPYXTNNUMHVHG-SNVBAGLBSA-N 0 3 292.339 1.590 20 5 CDBDHN C[C@H]1OCC[C@@]1(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494226631 253606989 /nfs/dbraw/zinc/60/69/89/253606989.db2.gz IYYHUANPBZBGKZ-QMTHXVAHSA-N 0 3 293.323 1.690 20 5 CDBDHN COCCNCCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415439463 391431328 /nfs/dbraw/zinc/43/13/28/391431328.db2.gz QTIYBZRYBKLMEI-UHFFFAOYSA-N 0 3 296.327 1.261 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCNCC1 ZINC000415509556 391468493 /nfs/dbraw/zinc/46/84/93/391468493.db2.gz WTEPXCZYWCMTDL-UHFFFAOYSA-N 0 3 294.311 1.431 20 5 CDBDHN COc1cc(CNC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1[O-] ZINC000237111669 131004805 /nfs/dbraw/zinc/00/48/05/131004805.db2.gz DDMBILFBTMROKS-UHFFFAOYSA-N 0 3 295.339 1.493 20 5 CDBDHN CNCC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000237222484 131014832 /nfs/dbraw/zinc/01/48/32/131014832.db2.gz FDYZQFZOLVORDN-UHFFFAOYSA-N 0 3 280.328 1.041 20 5 CDBDHN Cc1c(CC(=O)N2C[C@@H](C)NC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000237440139 131031071 /nfs/dbraw/zinc/03/10/71/131031071.db2.gz FRZNGFPPCFDMPY-MNOVXSKESA-N 0 3 291.351 1.655 20 5 CDBDHN Cc1cc(C(=O)NCCN2CC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000524775396 392919347 /nfs/dbraw/zinc/91/93/47/392919347.db2.gz JZWUXJMVSNDRER-NSHDSACASA-N 0 3 291.351 1.975 20 5 CDBDHN C[C@]1(F)CNCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420331310 392918088 /nfs/dbraw/zinc/91/80/88/392918088.db2.gz MFCNHPWUJGLFFE-ZDUSSCGKSA-N 0 3 285.294 1.867 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000421706868 392942105 /nfs/dbraw/zinc/94/21/05/392942105.db2.gz WAGVNPJFZFAXOS-VIFPVBQESA-N 0 3 267.285 1.354 20 5 CDBDHN CCOc1cc(NCCNCCOC)ccc1[N+](=O)[O-] ZINC000216284826 140161932 /nfs/dbraw/zinc/16/19/32/140161932.db2.gz BWHQFUOWPJMKQM-UHFFFAOYSA-N 0 3 283.328 1.641 20 5 CDBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251665579 140311186 /nfs/dbraw/zinc/31/11/86/140311186.db2.gz LFYIAAIWSLTZDK-BXUZGUMPSA-N 0 3 264.325 1.840 20 5 CDBDHN CNC(=O)CCN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255515158 140336465 /nfs/dbraw/zinc/33/64/65/140336465.db2.gz QBPODRSFFSLTSB-ALCCZGGFSA-N 0 3 277.324 1.676 20 5 CDBDHN CCCN(CCN(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000104530162 147196645 /nfs/dbraw/zinc/19/66/45/147196645.db2.gz JYUMJHXMXBEQMG-UHFFFAOYSA-N 0 3 293.367 1.938 20 5 CDBDHN C[C@H](O)CCCNCc1ccc([N+](=O)[O-])cc1F ZINC000311124765 149210286 /nfs/dbraw/zinc/21/02/86/149210286.db2.gz YNNYOYDVUVYLSJ-VIFPVBQESA-N 0 3 256.277 1.985 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000357415011 157744806 /nfs/dbraw/zinc/74/48/06/157744806.db2.gz NIBCPGSBRBLTKW-IUCAKERBSA-N 0 3 266.301 1.135 20 5 CDBDHN CCO[C@H]1COCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000362025394 159042308 /nfs/dbraw/zinc/04/23/08/159042308.db2.gz KWIWMOWCSPFTCW-OCCSQVGLSA-N 0 3 280.324 1.878 20 5 CDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285781235 196396702 /nfs/dbraw/zinc/39/67/02/196396702.db2.gz KCYZHSHCYGXMQK-VIFPVBQESA-N 0 3 295.343 1.120 20 5 CDBDHN Cc1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1[N+](=O)[O-] ZINC000077900295 177308483 /nfs/dbraw/zinc/30/84/83/177308483.db2.gz JDQHIIKSHVSTHQ-LBPRGKRZSA-N 0 3 277.324 1.614 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](N)C1CCC1 ZINC000399032999 270367666 /nfs/dbraw/zinc/36/76/66/270367666.db2.gz MNUYBXITLXDSFN-CYBMUJFWSA-N 0 3 277.324 1.681 20 5 CDBDHN COC[C@@H](O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279081480 274045521 /nfs/dbraw/zinc/04/55/21/274045521.db2.gz MQIHZYWAIRYMJE-FZMZJTMJSA-N 0 3 294.351 1.914 20 5 CDBDHN Nc1nc(N2CCC[C@@H]2CN2CCCC2)ncc1[N+](=O)[O-] ZINC000275074053 274966044 /nfs/dbraw/zinc/96/60/44/274966044.db2.gz VXEIEKHSPCCGID-SNVBAGLBSA-N 0 3 292.343 1.032 20 5 CDBDHN C[C@@H](c1ccco1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247343657 280329061 /nfs/dbraw/zinc/32/90/61/280329061.db2.gz GGBFAOMMHQROCV-CMPLNLGQSA-N 0 3 294.311 1.438 20 5 CDBDHN NC(=O)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255289791 289364009 /nfs/dbraw/zinc/36/40/09/289364009.db2.gz ONPGWHUSIUJENJ-ACVFHECNSA-N 0 3 289.335 1.805 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050699696 521657840 /nfs/dbraw/zinc/65/78/40/521657840.db2.gz BBNKADZFAACLGJ-NSHDSACASA-N 0 3 292.339 1.391 20 5 CDBDHN CCN(CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000768508061 576290934 /nfs/dbraw/zinc/29/09/34/576290934.db2.gz FRNHOYAYSMHCTC-UHFFFAOYSA-N 0 3 281.312 1.676 20 5 CDBDHN C[C@]1(CO)CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000759893734 576441382 /nfs/dbraw/zinc/44/13/82/576441382.db2.gz OJRTVPRXSYXAJI-ZIAGYGMSSA-N 0 3 280.324 1.475 20 5 CDBDHN C[C@H]1CCCN1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000742240063 576591659 /nfs/dbraw/zinc/59/16/59/576591659.db2.gz IHVOVSMESYXYFI-NSHDSACASA-N 0 3 277.324 1.809 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN[C@H](c2ccccn2)C2CC2)c1 ZINC000932377038 617233325 /nfs/dbraw/zinc/23/33/25/617233325.db2.gz GUBTZJHPJFAVBQ-AWEZNQCLSA-N 0 3 287.323 1.927 20 5 CDBDHN CC(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000982942121 614060628 /nfs/dbraw/zinc/06/06/28/614060628.db2.gz RRRCRFNVCIEXHA-HOMQSWHASA-N 0 3 283.353 1.661 20 5 CDBDHN C[C@H]1CCCCN1CCNc1c([N+](=O)[O-])cnn1C ZINC000891838955 617637307 /nfs/dbraw/zinc/63/73/07/617637307.db2.gz ZBDFAKHXMWIXTK-JTQLQIEISA-N 0 3 267.333 1.615 20 5 CDBDHN CCOC(=O)CCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582444 617682882 /nfs/dbraw/zinc/68/28/82/617682882.db2.gz UMZJPHJTEPYBDZ-ZDUSSCGKSA-N 0 3 296.323 1.513 20 5 CDBDHN CC(=O)c1cncc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000893047512 618099697 /nfs/dbraw/zinc/09/96/97/618099697.db2.gz MKQHHODROJJIMM-ZETCQYMHSA-N 0 3 252.226 1.106 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CNCCO1 ZINC000841099848 618682087 /nfs/dbraw/zinc/68/20/87/618682087.db2.gz ZLZJYFSNACUTFK-LLVKDONJSA-N 0 3 285.731 1.326 20 5 CDBDHN O=[N+]([O-])CCN1CC[C@@H](COCc2ccccc2)C1 ZINC000929724351 630712474 /nfs/dbraw/zinc/71/24/74/630712474.db2.gz QKKYUDOBDYDHOY-CQSZACIVSA-N 0 3 264.325 1.802 20 5 CDBDHN CC1(C)CCN(CCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000890076086 633279334 /nfs/dbraw/zinc/27/93/34/633279334.db2.gz ZZRCQYNKUOOOEY-UHFFFAOYSA-N 0 3 292.339 1.452 20 5 CDBDHN C[C@@H](Nc1cc(F)cc(F)c1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170571139 1162959893 /nfs/dbraw/zinc/95/98/93/1162959893.db2.gz YISUGMAWEQKAQN-RDDDGLTNSA-N 0 3 287.266 1.662 20 5 CDBDHN CC(=O)N[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001170583357 1163049486 /nfs/dbraw/zinc/04/94/86/1163049486.db2.gz DZCDJYVQTSVUFO-HAQNSBGRSA-N 0 3 290.323 1.277 20 5 CDBDHN CC(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N+](=O)[O-] ZINC000813106367 836402670 /nfs/dbraw/zinc/40/26/70/836402670.db2.gz BTROCLRKBDLARU-ZETCQYMHSA-N 0 3 293.235 1.898 20 5 CDBDHN CC(COC(=O)c1coc2c1C(=O)CCC2)[N+](=O)[O-] ZINC000835453620 836848910 /nfs/dbraw/zinc/84/89/10/836848910.db2.gz DPRGANYSZBZAPB-SSDOTTSWSA-N 0 3 267.237 1.621 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@]1(O)CCOC1 ZINC000227135573 836956903 /nfs/dbraw/zinc/95/69/03/836956903.db2.gz DUPDDXVINNWPLM-LBPRGKRZSA-N 0 3 286.715 1.489 20 5 CDBDHN CN(C[C@@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176103540 837900381 /nfs/dbraw/zinc/90/03/81/837900381.db2.gz YKTHJKIYHQQVJN-NSHDSACASA-N 0 3 290.323 1.870 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)CCC(=O)N2)[N+](=O)[O-] ZINC000813115181 838946770 /nfs/dbraw/zinc/94/67/70/838946770.db2.gz MBHOURAANHRSAV-QMMMGPOBSA-N 0 3 278.264 1.393 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCCC[C@@H]2CO)cc1 ZINC000776579260 839848973 /nfs/dbraw/zinc/84/89/73/839848973.db2.gz LGVQOERTMXKKCC-KGLIPLIRSA-N 0 3 280.324 1.475 20 5 CDBDHN O=C(NC1CN(CCC2CCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294064 840038408 /nfs/dbraw/zinc/03/84/08/840038408.db2.gz WGXABKGFXWHDRC-CHWSQXEVSA-N 0 3 281.356 1.032 20 5 CDBDHN CCN(C)C(=O)CN[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340100 840217955 /nfs/dbraw/zinc/21/79/55/840217955.db2.gz BWNDRAAJFITWLB-JTQLQIEISA-N 0 3 297.330 1.733 20 5 CDBDHN CC(COC(=O)[C@H](C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000842364594 840330041 /nfs/dbraw/zinc/33/00/41/840330041.db2.gz ZHDDHVKCEHOMEH-SFYZADRCSA-N 0 3 261.274 1.173 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782613412 841605590 /nfs/dbraw/zinc/60/55/90/841605590.db2.gz ICBYBJQRSDHZCQ-RISCZKNCSA-N 0 3 278.308 1.288 20 5 CDBDHN C[C@@]1(O)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592620 841637326 /nfs/dbraw/zinc/63/73/26/841637326.db2.gz QZUUMXFZINNBJB-QWHCGFSZSA-N 0 3 266.297 1.085 20 5 CDBDHN CC(=O)NC[C@H](CC(=O)OCC(C)[N+](=O)[O-])CC(C)C ZINC000835454527 842021383 /nfs/dbraw/zinc/02/13/83/842021383.db2.gz KIVQASMOBYRKAY-JQWIXIFHSA-N 0 3 288.344 1.383 20 5 CDBDHN CNC(=O)CN[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173179319 912280618 /nfs/dbraw/zinc/28/06/18/912280618.db2.gz OUZSYGJLSGRJJA-QMMMGPOBSA-N 0 3 299.302 1.009 20 5 CDBDHN CC[C@@](N)(CO)N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220039 912306325 /nfs/dbraw/zinc/30/63/25/912306325.db2.gz SDEORIBELUIMQA-MFKMUULPSA-N 0 3 267.329 1.173 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(CN(C)C2)C1 ZINC001173237505 912362536 /nfs/dbraw/zinc/36/25/36/912362536.db2.gz KQFNLGXIANEYOO-LBPRGKRZSA-N 0 3 275.352 1.773 20 5 CDBDHN C[C@H](N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000692715137 899979400 /nfs/dbraw/zinc/97/94/00/899979400.db2.gz GAASAVDHXYOGOO-ZETCQYMHSA-N 0 3 265.248 1.393 20 5 CDBDHN CCC1(Nc2cc3c(cc2[N+](=O)[O-])CNC3)COC1 ZINC001168321782 909022935 /nfs/dbraw/zinc/02/29/35/909022935.db2.gz KWSHRFPDXFQDPR-UHFFFAOYSA-N 0 3 263.297 1.789 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NC1(CO)COC1)CC2 ZINC001172901239 912036868 /nfs/dbraw/zinc/03/68/68/912036868.db2.gz LRUVWGBYIRQZBJ-ZDUSSCGKSA-N 0 3 292.335 1.193 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N[C@H](CO)c2ccccn2)C1 ZINC001168986127 927568769 /nfs/dbraw/zinc/56/87/69/927568769.db2.gz WFZBVUDEPADSNA-NQBHXWOUSA-N 0 3 265.313 1.150 20 5 CDBDHN Cc1cc(CN(C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001169027498 927632945 /nfs/dbraw/zinc/63/29/45/927632945.db2.gz QJACGIQJWIVYAD-VXGBXAGGSA-N 0 3 266.345 1.606 20 5 CDBDHN Cc1nc(Cl)nc(Nc2ccc(CN)nc2)c1[N+](=O)[O-] ZINC001160396026 931519822 /nfs/dbraw/zinc/51/98/22/931519822.db2.gz BANIKTJWDFLQRX-UHFFFAOYSA-N 0 3 294.702 1.944 20 5 CDBDHN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC001122951995 936087675 /nfs/dbraw/zinc/08/76/75/936087675.db2.gz XSPUDTRZGHQEES-AEJSXWLSSA-N 0 3 273.285 1.174 20 5 CDBDHN COc1cc(N2C[C@H]3[C@H](C2)CCCN3C)ncc1[N+](=O)[O-] ZINC001157266647 938472756 /nfs/dbraw/zinc/47/27/56/938472756.db2.gz VRSGURSMRGHPQM-JQWIXIFHSA-N 0 3 292.339 1.529 20 5 CDBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN4CC[C@H]4C3)c2c1 ZINC001158423229 938621629 /nfs/dbraw/zinc/62/16/29/938621629.db2.gz JFRXHIHXNONGSB-NSHDSACASA-N 0 3 285.307 1.432 20 5 CDBDHN COC(=O)c1ccc([O-])c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001227825600 942233447 /nfs/dbraw/zinc/23/34/47/942233447.db2.gz MMIAPPGXWKVTFV-SECBINFHSA-O 0 3 269.321 1.047 20 5 CDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccncc1)[N+](=O)[O-] ZINC001343664763 964085388 /nfs/dbraw/zinc/08/53/88/964085388.db2.gz SJMIFKXJVZNJFA-INTQDDNPSA-N 0 3 250.254 1.394 20 5 CDBDHN CC(C)[C@@H]1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC001346123735 964942666 /nfs/dbraw/zinc/94/26/66/964942666.db2.gz OYZGLTNZARDABI-AXFHLTTASA-N 0 3 259.302 1.646 20 5 CDBDHN CCCN(CCCOc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000590025576 342520328 /nfs/dbraw/zinc/52/03/28/342520328.db2.gz MSWXBYKTRCYZFG-UHFFFAOYSA-N 0 3 295.339 1.561 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000601232541 342537714 /nfs/dbraw/zinc/53/77/14/342537714.db2.gz RULLKUIKGYNDBO-ZJUUUORDSA-N 0 3 295.314 1.946 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@H](F)CN2)cc1 ZINC000591281908 342624314 /nfs/dbraw/zinc/62/43/14/342624314.db2.gz UPQCBOXADPOSTJ-QWRGUYRKSA-N 0 3 253.277 1.384 20 5 CDBDHN C[C@H](NC(=O)[C@@H]1NCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591667922 342641107 /nfs/dbraw/zinc/64/11/07/342641107.db2.gz GGCXUYIOIUCBTN-CABZTGNLSA-N 0 3 277.324 1.770 20 5 CDBDHN CC1(C)CN[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591672225 342641371 /nfs/dbraw/zinc/64/13/71/342641371.db2.gz CUSPUOCZXAKJNS-LBPRGKRZSA-N 0 3 293.323 1.088 20 5 CDBDHN CC1(C)CNCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000591678322 342641623 /nfs/dbraw/zinc/64/16/23/342641623.db2.gz NNASTPSKZYNPKQ-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN CCn1ccc(CN(C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000616786373 342271088 /nfs/dbraw/zinc/27/10/88/342271088.db2.gz WSXWZRCNBCIWIP-UHFFFAOYSA-N 0 3 277.328 1.745 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)CO ZINC000595010429 342990214 /nfs/dbraw/zinc/99/02/14/342990214.db2.gz CHFCCCHAFQFWHE-RKDXNWHRSA-N 0 3 254.286 1.635 20 5 CDBDHN Cc1noc(CN2CC[C@@H](N3CCCCC3)C2)c1[N+](=O)[O-] ZINC000595310504 343032811 /nfs/dbraw/zinc/03/28/11/343032811.db2.gz CYUOAGQWMKCHSD-GFCCVEGCSA-N 0 3 294.355 1.951 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000274613141 365735343 /nfs/dbraw/zinc/73/53/43/365735343.db2.gz XIMCZVZFUMBCMF-UHFFFAOYSA-N 0 3 291.351 1.690 20 5 CDBDHN CC[C@H](C)[N@H+](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596103057 343227747 /nfs/dbraw/zinc/22/77/47/343227747.db2.gz BIRWXHCVLSNFAY-VIFPVBQESA-N 0 3 268.317 1.838 20 5 CDBDHN CC[C@H](C)[N@@H+](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596103057 343227749 /nfs/dbraw/zinc/22/77/49/343227749.db2.gz BIRWXHCVLSNFAY-VIFPVBQESA-N 0 3 268.317 1.838 20 5 CDBDHN CCc1nn(C)c(N2CCCN(CC)CC2)c1[N+](=O)[O-] ZINC000092829808 342419435 /nfs/dbraw/zinc/41/94/35/342419435.db2.gz JYRHZSGMWHNQIT-UHFFFAOYSA-N 0 3 281.360 1.423 20 5 CDBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118763367 342429380 /nfs/dbraw/zinc/42/93/80/342429380.db2.gz SPAQHUHOFHUIEV-UHFFFAOYSA-N 0 3 278.356 1.644 20 5 CDBDHN Cc1ccc(CN(C)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000597250904 343499222 /nfs/dbraw/zinc/49/92/22/343499222.db2.gz DJWXXSCVKMCXFA-UHFFFAOYSA-N 0 3 294.351 1.877 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCOC[C@H]1O ZINC000599010596 343939410 /nfs/dbraw/zinc/93/94/10/343939410.db2.gz BNKGBSKZRVKACB-CLDOCUBWSA-N 0 3 278.308 1.347 20 5 CDBDHN O=[N+]([O-])c1ccc2oc(CNC[C@H]3CCOC3)nc2c1 ZINC000602512606 344459376 /nfs/dbraw/zinc/45/93/76/344459376.db2.gz WAJACPBDXBVNTI-SECBINFHSA-N 0 3 277.280 1.862 20 5 CDBDHN C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)N(C)C ZINC000602593032 344481337 /nfs/dbraw/zinc/48/13/37/344481337.db2.gz GPROXQFMCWGUQZ-VIFPVBQESA-N 0 3 278.312 1.776 20 5 CDBDHN COCCN(C)C[C@@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000314151946 344910140 /nfs/dbraw/zinc/91/01/40/344910140.db2.gz MPGYKPONKPTNBO-GFCCVEGCSA-N 0 3 298.339 1.221 20 5 CDBDHN COC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159821246 362535199 /nfs/dbraw/zinc/53/51/99/362535199.db2.gz RXJDIQXPSYTYFJ-GFCCVEGCSA-N 0 3 295.339 1.115 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCNCC2(C)C)c1 ZINC000088147825 346013370 /nfs/dbraw/zinc/01/33/70/346013370.db2.gz FOWFHBOSHPONCO-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2n[nH]c3ccccc32)c1 ZINC000610890176 346480921 /nfs/dbraw/zinc/48/09/21/346480921.db2.gz NMPUKDUPEDPJHO-UHFFFAOYSA-N 0 3 286.295 1.457 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2[nH]nc3ccccc32)c1 ZINC000610890176 346480926 /nfs/dbraw/zinc/48/09/26/346480926.db2.gz NMPUKDUPEDPJHO-UHFFFAOYSA-N 0 3 286.295 1.457 20 5 CDBDHN C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000086468076 179299381 /nfs/dbraw/zinc/29/93/81/179299381.db2.gz NCFJHICIVGXZDX-LHXDFBSTSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000061362680 349993306 /nfs/dbraw/zinc/99/33/06/349993306.db2.gz KLRULWJESAYEPX-CABZTGNLSA-N 0 3 296.352 1.565 20 5 CDBDHN C[C@@H]1CN(CCCNc2cccnc2[N+](=O)[O-])CCCO1 ZINC000617843295 349246021 /nfs/dbraw/zinc/24/60/21/349246021.db2.gz ZFSTYAHHIYGTFK-GFCCVEGCSA-N 0 3 294.355 1.903 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090550308 180002823 /nfs/dbraw/zinc/00/28/23/180002823.db2.gz KSMOQEAWNFKKAS-VXGBXAGGSA-N 0 3 279.340 1.877 20 5 CDBDHN CCN(C)C[C@@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000311460610 350685602 /nfs/dbraw/zinc/68/56/02/350685602.db2.gz LUQCVFVFFDEHNF-LLVKDONJSA-N 0 3 268.313 1.595 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)CC ZINC000291731690 198073278 /nfs/dbraw/zinc/07/32/78/198073278.db2.gz NVEOVMFMEWDDKO-LBPRGKRZSA-N 0 3 268.313 1.854 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](N)C(C)C ZINC000037029622 363315025 /nfs/dbraw/zinc/31/50/25/363315025.db2.gz HXNMOWTWYJLIRG-LLVKDONJSA-N 0 3 251.286 1.825 20 5 CDBDHN COCC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000336842127 356294751 /nfs/dbraw/zinc/29/47/51/356294751.db2.gz TXOPXNOOZRLNCA-ZDUSSCGKSA-N 0 3 286.303 1.611 20 5 CDBDHN Cc1cc(N2CCNCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058047170 356609088 /nfs/dbraw/zinc/60/90/88/356609088.db2.gz VYCQYKVFEGAVDE-UHFFFAOYSA-N 0 3 299.334 1.770 20 5 CDBDHN COCCN1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000264559490 357379353 /nfs/dbraw/zinc/37/93/53/357379353.db2.gz FFHVUFWKRVPDQT-NSHDSACASA-N 0 3 265.313 1.727 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(CC)CC1 ZINC000360904958 357739448 /nfs/dbraw/zinc/73/94/48/357739448.db2.gz WQCCAUHBXXWDOT-UHFFFAOYSA-N 0 3 281.360 1.652 20 5 CDBDHN CN(C[C@@H](O)COc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000290833350 358662941 /nfs/dbraw/zinc/66/29/41/358662941.db2.gz UVPHGJLBPBRXLW-GFCCVEGCSA-N 0 3 284.287 1.568 20 5 CDBDHN O=C(CCN1CCC(O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026227992 358753196 /nfs/dbraw/zinc/75/31/96/358753196.db2.gz PHLJKXNFRXDTFB-UHFFFAOYSA-N 0 3 293.323 1.380 20 5 CDBDHN C[C@H](NC(=O)C1(N)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000147806707 358754752 /nfs/dbraw/zinc/75/47/52/358754752.db2.gz IWVUGYMRENNILX-VIFPVBQESA-N 0 3 263.297 1.653 20 5 CDBDHN CCOC(=O)CCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000338780058 359169554 /nfs/dbraw/zinc/16/95/54/359169554.db2.gz ABIDBHTWLAPUAQ-UHFFFAOYSA-N 0 3 296.323 1.859 20 5 CDBDHN COCCOC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296827871 200008675 /nfs/dbraw/zinc/00/86/75/200008675.db2.gz WETKLSKBOPHAML-SMDDNHRTSA-N 0 3 298.339 1.269 20 5 CDBDHN CCCN[C@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000296906544 200031218 /nfs/dbraw/zinc/03/12/18/200031218.db2.gz RETUZAHDQNOQMR-SNVBAGLBSA-N 0 3 277.324 1.872 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](N)C(C)C ZINC000297367381 200166017 /nfs/dbraw/zinc/16/60/17/200166017.db2.gz LFJYBXNARCJUMT-LBPRGKRZSA-N 0 3 281.312 1.203 20 5 CDBDHN CC[C@H]1CN(C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000562443347 359992416 /nfs/dbraw/zinc/99/24/16/359992416.db2.gz FXQZBJIIPSPRLD-ZDUSSCGKSA-N 0 3 293.367 2.000 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C ZINC000176809390 189010144 /nfs/dbraw/zinc/01/01/44/189010144.db2.gz CPOLSBZKCYVJQI-UHFFFAOYSA-N 0 3 265.313 1.537 20 5 CDBDHN C[C@]1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000178020191 189086072 /nfs/dbraw/zinc/08/60/72/189086072.db2.gz XZOXXOWUVFQLQL-ZDUSSCGKSA-N 0 3 266.297 1.430 20 5 CDBDHN CCc1nn(C)c(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000575155312 360971287 /nfs/dbraw/zinc/97/12/87/360971287.db2.gz ILSOLKSMEJJRCY-VHSXEESVSA-N 0 3 293.371 1.928 20 5 CDBDHN C[C@@H]1C[C@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340914509 363946378 /nfs/dbraw/zinc/94/63/78/363946378.db2.gz RWSAKWUNSXXSCG-YPMHNXCESA-N 0 3 280.324 1.819 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351813697 365002115 /nfs/dbraw/zinc/00/21/15/365002115.db2.gz HYOOUMFKVZYADL-MFKMUULPSA-N 0 3 266.297 1.286 20 5 CDBDHN CN1CCC[C@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000344599320 365516699 /nfs/dbraw/zinc/51/66/99/365516699.db2.gz DSMNZNUNTGQCSR-IRBQFCFKSA-N 0 3 289.335 1.818 20 5 CDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1N(C)C ZINC000271025696 366957931 /nfs/dbraw/zinc/95/79/31/366957931.db2.gz GLCXSXYBEHOPQO-NEPJUHHUSA-N 0 3 296.396 1.780 20 5 CDBDHN CNC(=O)C[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859591 367032211 /nfs/dbraw/zinc/03/22/11/367032211.db2.gz ZCDJLVADYKEPHL-ZJUUUORDSA-N 0 3 265.313 1.770 20 5 CDBDHN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN[C@H](C)C1 ZINC000420333143 244098439 /nfs/dbraw/zinc/09/84/39/244098439.db2.gz HLXZYBIDKQNMQJ-GHMZBOCLSA-N 0 3 292.339 1.216 20 5 CDBDHN CCN(C)CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420591094 244268247 /nfs/dbraw/zinc/26/82/47/244268247.db2.gz XXFBNNCLMFYCFW-UHFFFAOYSA-N 0 3 266.301 1.057 20 5 CDBDHN C[C@@H](CN(C)C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420636431 244301428 /nfs/dbraw/zinc/30/14/28/244301428.db2.gz MLNAYFNUJXOIBR-QMMMGPOBSA-N 0 3 266.301 1.056 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCN1C ZINC000330892794 203361283 /nfs/dbraw/zinc/36/12/83/203361283.db2.gz DHIBQFVPSIJDHX-IUCAKERBSA-N 0 3 267.285 1.400 20 5 CDBDHN CN1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000037729872 370013449 /nfs/dbraw/zinc/01/34/49/370013449.db2.gz KRZOCTROZNCIGI-VIFPVBQESA-N 0 3 280.284 1.867 20 5 CDBDHN COC(=O)[C@H](C)CN(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000177024958 372772890 /nfs/dbraw/zinc/77/28/90/372772890.db2.gz ZXHRYPBREGTVMZ-SNVBAGLBSA-N 0 3 296.327 1.065 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000269635537 373246679 /nfs/dbraw/zinc/24/66/79/373246679.db2.gz HGUFBRHZDGWUIY-SMDDNHRTSA-N 0 3 280.324 1.597 20 5 CDBDHN CCN1CCCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301282026 373479863 /nfs/dbraw/zinc/47/98/63/373479863.db2.gz MWTOHLZLLUVLOH-NSHDSACASA-N 0 3 281.360 1.923 20 5 CDBDHN Cc1cccc(C(=O)NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000298355501 373511425 /nfs/dbraw/zinc/51/14/25/373511425.db2.gz NYXNUQBTLBBFPR-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])N(C)C ZINC000298367498 373513559 /nfs/dbraw/zinc/51/35/59/373513559.db2.gz SZPXRWAEPSVVOM-LLVKDONJSA-N 0 3 294.355 1.463 20 5 CDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298447443 373604117 /nfs/dbraw/zinc/60/41/17/373604117.db2.gz FWWQIVTVHNNOCK-UHFFFAOYSA-N 0 3 278.356 1.644 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274014526 374068371 /nfs/dbraw/zinc/06/83/71/374068371.db2.gz VJBTVFZJERLWKW-KWQFWETISA-N 0 3 263.301 1.279 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000079927346 374430764 /nfs/dbraw/zinc/43/07/64/374430764.db2.gz FIWKJVAFEXEIFY-PWSUYJOCSA-N 0 3 277.324 1.832 20 5 CDBDHN CCc1n[nH]c(C(=O)N2CCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000277931776 374823488 /nfs/dbraw/zinc/82/34/88/374823488.db2.gz JMULNEKRWYDRGR-VIFPVBQESA-N 0 3 295.343 1.047 20 5 CDBDHN CCc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)C)c1[N+](=O)[O-] ZINC000277931776 374823495 /nfs/dbraw/zinc/82/34/95/374823495.db2.gz JMULNEKRWYDRGR-VIFPVBQESA-N 0 3 295.343 1.047 20 5 CDBDHN C[C@H](O)C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331332566 374931217 /nfs/dbraw/zinc/93/12/17/374931217.db2.gz SIFMWIWYBBVZLG-RYUDHWBXSA-N 0 3 282.344 1.417 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N(C)C1CC1 ZINC000331535027 374969692 /nfs/dbraw/zinc/96/96/92/374969692.db2.gz WTYYLIUVFHECHZ-SECBINFHSA-N 0 3 280.328 1.146 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N(C)C1CC1 ZINC000331535030 374970674 /nfs/dbraw/zinc/97/06/74/374970674.db2.gz WTYYLIUVFHECHZ-VIFPVBQESA-N 0 3 280.328 1.146 20 5 CDBDHN CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000279750954 374955679 /nfs/dbraw/zinc/95/56/79/374955679.db2.gz LJDZFMBYHIHPPO-ZDUSSCGKSA-N 0 3 280.324 1.676 20 5 CDBDHN CN(CCOCCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000282293692 375076995 /nfs/dbraw/zinc/07/69/95/375076995.db2.gz FTCJGSJXDLAHFT-UHFFFAOYSA-N 0 3 268.313 1.078 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000162737693 375502593 /nfs/dbraw/zinc/50/25/93/375502593.db2.gz FANVQKSICOJYMY-VXGBXAGGSA-N 0 3 292.339 1.573 20 5 CDBDHN CNC(=O)C[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574926504 378781853 /nfs/dbraw/zinc/78/18/53/378781853.db2.gz FHZKATHEMDWWCW-JOYOIKCWSA-N 0 3 277.324 1.696 20 5 CDBDHN CC(C)(C)[C@@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444676442 250164265 /nfs/dbraw/zinc/16/42/65/250164265.db2.gz QFFIWTYTSBRBNX-GFCCVEGCSA-N 0 3 292.339 1.968 20 5 CDBDHN CCc1ccc(C(=O)NC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174021680 379361439 /nfs/dbraw/zinc/36/14/39/379361439.db2.gz MWFWGRGRMRDLQY-UHFFFAOYSA-N 0 3 291.351 1.981 20 5 CDBDHN Cc1c(NC(=O)/C=C\CN(C)C)cccc1[N+](=O)[O-] ZINC000491870314 253108841 /nfs/dbraw/zinc/10/88/41/253108841.db2.gz OLUGHRGOCRCUAO-YVMONPNESA-N 0 3 263.297 1.960 20 5 CDBDHN CN(C)C/C=C\C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000491880152 253111251 /nfs/dbraw/zinc/11/12/51/253111251.db2.gz BXJJEVSDCQOQBY-DAXSKMNVSA-N 0 3 263.297 1.329 20 5 CDBDHN Cc1cc(N[C@@H](CO)CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000289174323 197253698 /nfs/dbraw/zinc/25/36/98/197253698.db2.gz RGVLDPOFPDAUMB-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN(C2CC2)C1 ZINC000451080769 390595821 /nfs/dbraw/zinc/59/58/21/390595821.db2.gz CFCJXZGGKCRPJO-NSHDSACASA-N 0 3 293.371 1.244 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCC2(CO)CC2)cc1 ZINC000395926822 390665870 /nfs/dbraw/zinc/66/58/70/390665870.db2.gz HMKOIGODWADOSF-UHFFFAOYSA-N 0 3 250.298 1.847 20 5 CDBDHN CC(=O)c1cc(N2C[C@H]3CN(C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000287525863 390914082 /nfs/dbraw/zinc/91/40/82/390914082.db2.gz AYQYZMALFFKRFJ-TXEJJXNPSA-N 0 3 289.335 1.795 20 5 CDBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159404821 391046508 /nfs/dbraw/zinc/04/65/08/391046508.db2.gz XAIUYSPUMBHSSP-GWCFXTLKSA-N 0 3 250.298 1.798 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517544286 391161863 /nfs/dbraw/zinc/16/18/63/391161863.db2.gz CEJSLPAEBZLAQN-SNVBAGLBSA-N 0 3 280.328 1.100 20 5 CDBDHN COc1ccc(CNC(=O)C2(N)CCC2)cc1[N+](=O)[O-] ZINC000294667566 533578008 /nfs/dbraw/zinc/57/80/08/533578008.db2.gz ADODGVOZWUEZAQ-UHFFFAOYSA-N 0 3 279.296 1.101 20 5 CDBDHN CCNC(=O)[C@@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247641 391662099 /nfs/dbraw/zinc/66/20/99/391662099.db2.gz GAKAUWDGACWMDP-GHMZBOCLSA-N 0 3 279.340 1.640 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@H]1CCCN(C)C1 ZINC000192598385 391711565 /nfs/dbraw/zinc/71/15/65/391711565.db2.gz GJEHNYRUMNTCJJ-LBPRGKRZSA-N 0 3 295.387 1.898 20 5 CDBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000549183215 392542349 /nfs/dbraw/zinc/54/23/49/392542349.db2.gz CSHNFYIZEMIYSW-VIFPVBQESA-N 0 3 293.327 1.065 20 5 CDBDHN C[C@@H]1OCC[C@@]1(O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000278648790 393143582 /nfs/dbraw/zinc/14/35/82/393143582.db2.gz MGNFWRGLEGWFIR-XARUKTKKSA-N 0 3 292.335 1.738 20 5 CDBDHN COCCNCCNc1cccc(C)c1[N+](=O)[O-] ZINC000234670100 140230740 /nfs/dbraw/zinc/23/07/40/140230740.db2.gz FAOFCVWQBYDTON-UHFFFAOYSA-N 0 3 253.302 1.551 20 5 CDBDHN COc1c(C(=O)N[C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000346166568 153079888 /nfs/dbraw/zinc/07/98/88/153079888.db2.gz RTMDVKOIBNGAKS-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1C1CCOCC1 ZINC000348923504 154007750 /nfs/dbraw/zinc/00/77/50/154007750.db2.gz WVZMVTSJQAJULU-LBPRGKRZSA-N 0 3 294.355 1.719 20 5 CDBDHN CCN(CCOc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000352203366 155020037 /nfs/dbraw/zinc/02/00/37/155020037.db2.gz REYIKICUORPUAA-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN CN(CCCCO)CCc1ccccc1[N+](=O)[O-] ZINC000285195798 196218421 /nfs/dbraw/zinc/21/84/21/196218421.db2.gz CQTHNAUYKJWAGU-UHFFFAOYSA-N 0 3 252.314 1.842 20 5 CDBDHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083128 174092602 /nfs/dbraw/zinc/09/26/02/174092602.db2.gz CADCGNUADFRKET-MNOVXSKESA-N 0 3 298.364 1.680 20 5 CDBDHN C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N+](=O)[O-] ZINC000038083177 174092960 /nfs/dbraw/zinc/09/29/60/174092960.db2.gz NHQAPFZJELNTTG-MNOVXSKESA-N 0 3 298.364 1.680 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](N)C1CCC1 ZINC000399033001 270367152 /nfs/dbraw/zinc/36/71/52/270367152.db2.gz MNUYBXITLXDSFN-ZDUSSCGKSA-N 0 3 277.324 1.681 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)NC(C)(C)CN(C)C)c1[N+](=O)[O-] ZINC000457214749 275722380 /nfs/dbraw/zinc/72/23/80/275722380.db2.gz XSRGFAXFDXKOOG-UHFFFAOYSA-N 0 3 297.359 1.511 20 5 CDBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@@H]2C1 ZINC000286576126 277178365 /nfs/dbraw/zinc/17/83/65/277178365.db2.gz RZNYANPUSVHZQW-JOYOIKCWSA-N 0 3 294.330 1.847 20 5 CDBDHN COc1cc(CN[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000361029118 277818362 /nfs/dbraw/zinc/81/83/62/277818362.db2.gz HLVLYGDRNFZMDB-UWVGGRQHSA-N 0 3 298.339 1.861 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(N2CCN[C@@H](C)C2)c1 ZINC000122875853 277938008 /nfs/dbraw/zinc/93/80/08/277938008.db2.gz PSFZYXNISMTLLB-VIFPVBQESA-N 0 3 251.286 1.402 20 5 CDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1N(C)C ZINC000337027101 278168483 /nfs/dbraw/zinc/16/84/83/278168483.db2.gz WCZLUDDZXYWQEF-SFYZADRCSA-N 0 3 288.398 1.533 20 5 CDBDHN C[C@@H]1OCC[C@]1(O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000278648779 280563115 /nfs/dbraw/zinc/56/31/15/280563115.db2.gz MGNFWRGLEGWFIR-GLIVKDKESA-N 0 3 292.335 1.738 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2ccc3[nH]cnc3c2)c1 ZINC000532866774 282055834 /nfs/dbraw/zinc/05/58/34/282055834.db2.gz XACSEBIJDZAUPF-UHFFFAOYSA-N 0 3 286.295 1.457 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2ccc3nc[nH]c3c2)c1 ZINC000532866774 282055837 /nfs/dbraw/zinc/05/58/37/282055837.db2.gz XACSEBIJDZAUPF-UHFFFAOYSA-N 0 3 286.295 1.457 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000555880157 290243593 /nfs/dbraw/zinc/24/35/93/290243593.db2.gz JZYKQXJLQQDTRD-BPNCWPANSA-N 0 3 279.340 1.263 20 5 CDBDHN CN(C)C(=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565216521 293564786 /nfs/dbraw/zinc/56/47/86/293564786.db2.gz KDVXMLYOQPBDII-GFCCVEGCSA-N 0 3 277.324 1.650 20 5 CDBDHN CN1CC[C@H](c2nc(Cc3ccccc3[N+](=O)[O-])no2)C1 ZINC000349895321 316140551 /nfs/dbraw/zinc/14/05/51/316140551.db2.gz XJYATKOIRQEXBX-NSHDSACASA-N 0 3 288.307 1.988 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183632998 323344173 /nfs/dbraw/zinc/34/41/73/323344173.db2.gz KEGFJFMHSWGDNQ-JTQLQIEISA-N 0 3 293.327 1.453 20 5 CDBDHN O=C(NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000579731649 324270841 /nfs/dbraw/zinc/27/08/41/324270841.db2.gz NSLGNZPTDOIWLY-ZDUSSCGKSA-N 0 3 289.335 1.698 20 5 CDBDHN COCCCN(C)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074766436 523229357 /nfs/dbraw/zinc/22/93/57/523229357.db2.gz ARTDTLWLGHFMDG-UHFFFAOYSA-N 0 3 282.344 1.678 20 5 CDBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183693513 525413861 /nfs/dbraw/zinc/41/38/61/525413861.db2.gz ANIUWMHIOIQIBV-ZWNOBZJWSA-N 0 3 293.323 1.690 20 5 CDBDHN C[C@@H](O)[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000183212872 525861022 /nfs/dbraw/zinc/86/10/22/525861022.db2.gz SXGURKCDJVPVLM-NEPJUHHUSA-N 0 3 280.324 1.676 20 5 CDBDHN CC[C@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423732708 536138201 /nfs/dbraw/zinc/13/82/01/536138201.db2.gz ZTAXKMHPYVZRRJ-LBPRGKRZSA-N 0 3 277.324 1.823 20 5 CDBDHN Cc1n[nH]cc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731678980 575059472 /nfs/dbraw/zinc/05/94/72/575059472.db2.gz UURCRUZEUKKIGY-ZDUSSCGKSA-N 0 3 276.296 1.450 20 5 CDBDHN Nc1c(C(=O)OCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000770394882 575445076 /nfs/dbraw/zinc/44/50/76/575445076.db2.gz AQVKATBNHLXIER-UHFFFAOYSA-N 0 3 293.323 1.820 20 5 CDBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000774012140 575848296 /nfs/dbraw/zinc/84/82/96/575848296.db2.gz BFBYVMHKTCJPBP-MWLCHTKSSA-N 0 3 292.291 1.677 20 5 CDBDHN CCc1ccc(CC(=O)OCC(C)[N+](=O)[O-])nc1 ZINC000893048218 618100520 /nfs/dbraw/zinc/10/05/20/618100520.db2.gz SLYCAFVZZFLDMI-VIFPVBQESA-N 0 3 252.270 1.395 20 5 CDBDHN C[C@H]1CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000905971444 627061062 /nfs/dbraw/zinc/06/10/62/627061062.db2.gz BKIQQPBIZSJTCQ-JQWIXIFHSA-N 0 3 266.297 1.429 20 5 CDBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cnnn1C ZINC000925383368 630708554 /nfs/dbraw/zinc/70/85/54/630708554.db2.gz SJMUASKWJMQQQK-SNVBAGLBSA-N 0 3 291.311 1.453 20 5 CDBDHN COc1ccc(C[C@@H](C)NC2(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001170294623 1162327728 /nfs/dbraw/zinc/32/77/28/1162327728.db2.gz CCADAYRUFKXTTK-SECBINFHSA-N 0 3 293.323 1.142 20 5 CDBDHN C[C@@H](N)c1ccn(-c2cc(Cl)ncc2[N+](=O)[O-])n1 ZINC001158350117 1162906557 /nfs/dbraw/zinc/90/65/57/1162906557.db2.gz XYASYWKKQVJWCJ-ZCFIWIBFSA-N 0 3 267.676 1.849 20 5 CDBDHN COc1nc(C)c(N[C@@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170569397 1162949029 /nfs/dbraw/zinc/94/90/29/1162949029.db2.gz RTYZLHPBCSHTPJ-CABZTGNLSA-N 0 3 296.327 1.096 20 5 CDBDHN NC1(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CCC1 ZINC001580140283 1172358980 /nfs/dbraw/zinc/35/89/80/1172358980.db2.gz UKRWIIYGXXYUIX-UHFFFAOYSA-N 0 3 286.291 1.963 20 5 CDBDHN Cc1nn(CN2CCN(CC(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000067189478 844085365 /nfs/dbraw/zinc/08/53/65/844085365.db2.gz RPBMPWANXKKYBS-UHFFFAOYSA-N 0 3 295.387 1.639 20 5 CDBDHN CC(COC(=O)c1coc2c1C(=O)CCC2)[N+](=O)[O-] ZINC000835453622 843845095 /nfs/dbraw/zinc/84/50/95/843845095.db2.gz DPRGANYSZBZAPB-ZETCQYMHSA-N 0 3 267.237 1.621 20 5 CDBDHN O=[N+]([O-])CCN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000929311945 843874609 /nfs/dbraw/zinc/87/46/09/843874609.db2.gz WKFOBOJCOLBFCD-CHWSQXEVSA-N 0 3 261.325 1.331 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000134497508 844891579 /nfs/dbraw/zinc/89/15/79/844891579.db2.gz IRLPPLVZJJZTDZ-MNOVXSKESA-N 0 3 278.312 1.265 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000829593560 845117118 /nfs/dbraw/zinc/11/71/18/845117118.db2.gz QJDJQGZABNQFCZ-SNPRPXQTSA-N 0 3 292.335 1.739 20 5 CDBDHN CC(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N+](=O)[O-] ZINC000813106366 845146197 /nfs/dbraw/zinc/14/61/97/845146197.db2.gz BTROCLRKBDLARU-SSDOTTSWSA-N 0 3 293.235 1.898 20 5 CDBDHN CC(=O)Nc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000821166993 845438026 /nfs/dbraw/zinc/43/80/26/845438026.db2.gz MFQHTMHRBJDISW-SECBINFHSA-N 0 3 280.280 1.396 20 5 CDBDHN C[C@@H](NCCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000775188265 845761336 /nfs/dbraw/zinc/76/13/36/845761336.db2.gz YLDVAZAVPKFJST-SNVBAGLBSA-N 0 3 279.296 1.698 20 5 CDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000813114980 846307018 /nfs/dbraw/zinc/30/70/18/846307018.db2.gz ZGYWDKKJYHADKW-MRVPVSSYSA-N 0 3 268.225 1.725 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)CC(F)F)cc1 ZINC000717834699 846444706 /nfs/dbraw/zinc/44/47/06/846444706.db2.gz JLPFFEIHWLHWHJ-GXSJLCMTSA-N 0 3 290.266 1.234 20 5 CDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCCN1CCCC1 ZINC000864612322 846535528 /nfs/dbraw/zinc/53/55/28/846535528.db2.gz XQCSWYRXESBSHO-UHFFFAOYSA-N 0 3 295.314 1.488 20 5 CDBDHN CC(COC(=O)c1ccnc2ccncc21)[N+](=O)[O-] ZINC000813105113 846697257 /nfs/dbraw/zinc/69/72/57/846697257.db2.gz VRKFFDYNCTWWFE-MRVPVSSYSA-N 0 3 261.237 1.452 20 5 CDBDHN CC[C@]1(O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778402387 846710144 /nfs/dbraw/zinc/71/01/44/846710144.db2.gz QMFDNVSIYDQKTN-KBPBESRZSA-N 0 3 280.324 1.475 20 5 CDBDHN CC(COC(=O)c1cc(F)cc2nccnc21)[N+](=O)[O-] ZINC000813110010 846724576 /nfs/dbraw/zinc/72/45/76/846724576.db2.gz YOPOKUFGYBEGLP-SSDOTTSWSA-N 0 3 279.227 1.591 20 5 CDBDHN COc1cccc2[nH]cc(CC(=O)OCC(C)[N+](=O)[O-])c21 ZINC000813105767 846883725 /nfs/dbraw/zinc/88/37/25/846883725.db2.gz UISWRNHAXJLPBU-SECBINFHSA-N 0 3 292.291 1.927 20 5 CDBDHN CC(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813110234 846921238 /nfs/dbraw/zinc/92/12/38/846921238.db2.gz VGNBKVNSTXWTLX-WYDVEAGSSA-N 0 3 280.236 1.816 20 5 CDBDHN Cc1cc(=O)n(CCN2CCCC2)cc1[N+](=O)[O-] ZINC000096548157 846946846 /nfs/dbraw/zinc/94/68/46/846946846.db2.gz BTSLPBHAKWTSAZ-UHFFFAOYSA-N 0 3 251.286 1.161 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000778256244 847300169 /nfs/dbraw/zinc/30/01/69/847300169.db2.gz ZJNLRZHIHIOUQT-DDTOSNHZSA-N 0 3 280.324 1.331 20 5 CDBDHN CCCNC(=O)CN[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215384 847587253 /nfs/dbraw/zinc/58/72/53/847587253.db2.gz LMTKJGDMJIOREF-SNVBAGLBSA-N 0 3 297.330 1.781 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](CF)C2)c1 ZINC000880296749 847750890 /nfs/dbraw/zinc/75/08/90/847750890.db2.gz FYXKSMBIGBXXRW-MFKMUULPSA-N 0 3 268.288 1.920 20 5 CDBDHN CC(=O)N[C@H]1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229895 912322275 /nfs/dbraw/zinc/32/22/75/912322275.db2.gz BNYQIBIQZNHWQG-RISCZKNCSA-N 0 3 291.351 1.736 20 5 CDBDHN NCc1ccnn1-c1c(Cl)cncc1[N+](=O)[O-] ZINC001162594051 922788200 /nfs/dbraw/zinc/78/82/00/922788200.db2.gz YQJPJWOTYFEWQR-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN Cc1nc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cs1 ZINC001168958877 927579956 /nfs/dbraw/zinc/57/99/56/927579956.db2.gz QTUVEVUXFGJZEW-ZJUUUORDSA-N 0 3 255.343 1.987 20 5 CDBDHN N=c1sc2c(n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCNC2 ZINC001169035911 927645155 /nfs/dbraw/zinc/64/51/55/927645155.db2.gz MGNCBJWUCFQXON-BDAKNGLRSA-N 0 3 282.369 1.293 20 5 CDBDHN CC(C)[C@@H]1CN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036991 927647181 /nfs/dbraw/zinc/64/71/81/927647181.db2.gz HUOAMXGRFNODOW-AGIUHOORSA-N 0 3 256.346 1.789 20 5 CDBDHN COc1cnc(N2C[C@H]3CCCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157266481 929414105 /nfs/dbraw/zinc/41/41/05/929414105.db2.gz SXJNPVLVEUSCOF-ZWNOBZJWSA-N 0 3 292.339 1.529 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1N1CCN(C2CCCCC2)CC1 ZINC001120023689 937774869 /nfs/dbraw/zinc/77/48/69/937774869.db2.gz BSQIOISTNBXWRK-UHFFFAOYSA-N 0 3 293.371 1.783 20 5 CDBDHN CN1CCN(c2cc(N)c([N+](=O)[O-])cn2)C2(CCCC2)C1 ZINC001158409843 938619231 /nfs/dbraw/zinc/61/92/31/938619231.db2.gz CHIKEEZZKRLYCR-UHFFFAOYSA-N 0 3 291.355 1.637 20 5 CDBDHN CCN1CCN(c2ncc([N+](=O)[O-])cc2N)C(C)(C)C1 ZINC001158561413 938636802 /nfs/dbraw/zinc/63/68/02/938636802.db2.gz CTIXDXKQKCALFG-UHFFFAOYSA-N 0 3 279.344 1.493 20 5 CDBDHN COc1nc(N[C@H]2CCN(C3CCC3)C2)ncc1[N+](=O)[O-] ZINC001161175068 938877316 /nfs/dbraw/zinc/87/73/16/938877316.db2.gz AMBUDOCDAZBGTE-VIFPVBQESA-N 0 3 293.327 1.432 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NCc1ncon1)CNC2 ZINC001162282767 938971363 /nfs/dbraw/zinc/97/13/63/938971363.db2.gz RKBPQOZXDCXQSA-UHFFFAOYSA-N 0 3 261.241 1.193 20 5 CDBDHN C[C@@H](N)c1nc2ccccc2n1-c1ncc([N+](=O)[O-])cn1 ZINC001162760252 939134127 /nfs/dbraw/zinc/13/41/27/939134127.db2.gz OFHVZGUGMCEBPF-MRVPVSSYSA-N 0 3 284.279 1.743 20 5 CDBDHN Cc1cc(CN)nn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001163980589 939369645 /nfs/dbraw/zinc/36/96/45/939369645.db2.gz ZKQJAVGVVABXOE-UHFFFAOYSA-N 0 3 287.323 1.821 20 5 CDBDHN O=[N+]([O-])c1cnc(Cl)cc1-n1cnc2c1CNCC2 ZINC001164310656 939451342 /nfs/dbraw/zinc/45/13/42/939451342.db2.gz ZAYZBSSVNZMORX-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN COc1cccc(CO[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001223808535 941700158 /nfs/dbraw/zinc/70/01/58/941700158.db2.gz CAWMGZFYTYBDFV-NSHDSACASA-N 0 3 266.297 1.824 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231075637 942776275 /nfs/dbraw/zinc/77/62/75/942776275.db2.gz DDZKJMWAYDNOAZ-SNVBAGLBSA-N 0 3 262.337 1.340 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NC[C@H](O)C(F)(F)F)C2 ZINC001254579111 947537404 /nfs/dbraw/zinc/53/74/04/947537404.db2.gz PRYNXRFWKTUPJT-KOLCDFICSA-N 0 3 290.241 1.575 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](n1ncc3c1CCNC3)C2 ZINC001254595023 947547798 /nfs/dbraw/zinc/54/77/98/947547798.db2.gz UWCADAQTNYDCQW-CQSZACIVSA-N 0 3 284.319 1.777 20 5 CDBDHN CCOCC[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC001335891306 960082912 /nfs/dbraw/zinc/08/29/12/960082912.db2.gz MTPHOLIIJDVWQN-LBPRGKRZSA-N 0 3 268.313 1.472 20 5 CDBDHN CCN1C[C@@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1C ZINC001337093125 960928470 /nfs/dbraw/zinc/92/84/70/960928470.db2.gz XSOVIFUDFJKLQC-NXEZZACHSA-N 0 3 279.344 1.491 20 5 CDBDHN CN1CCC(CC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000589833861 342515127 /nfs/dbraw/zinc/51/51/27/342515127.db2.gz VYCYRTQKKYLZCN-UHFFFAOYSA-N 0 3 291.351 1.943 20 5 CDBDHN C[C@@H](C(=O)NC[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591085289 342616936 /nfs/dbraw/zinc/61/69/36/342616936.db2.gz XJSKLKBSMRGKFE-WDEREUQCSA-N 0 3 279.340 1.765 20 5 CDBDHN CN1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593391388 342794126 /nfs/dbraw/zinc/79/41/26/342794126.db2.gz LSRSSOPGSPNIAX-UHFFFAOYSA-N 0 3 295.314 1.487 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CCC1 ZINC000595036659 342998033 /nfs/dbraw/zinc/99/80/33/342998033.db2.gz UOVMVXVWRRUFJQ-LLVKDONJSA-N 0 3 279.340 1.960 20 5 CDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595435494 343060233 /nfs/dbraw/zinc/06/02/33/343060233.db2.gz GNXXWGZMEYNZIC-RYUDHWBXSA-N 0 3 295.314 1.868 20 5 CDBDHN Cc1noc(CNC(C)(C)CN(C)C)c1[N+](=O)[O-] ZINC000595528776 343090103 /nfs/dbraw/zinc/09/01/03/343090103.db2.gz FDLQISWRXQQDSR-UHFFFAOYSA-N 0 3 256.306 1.321 20 5 CDBDHN CC1CC[NH+](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596076752 343226903 /nfs/dbraw/zinc/22/69/03/343226903.db2.gz CQRISQQCWSSRLY-UHFFFAOYSA-N 0 3 280.328 1.839 20 5 CDBDHN C[NH+](C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596114718 343231273 /nfs/dbraw/zinc/23/12/73/343231273.db2.gz NMSSKRIIHKNAGF-SNVBAGLBSA-N 0 3 266.301 1.448 20 5 CDBDHN C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000596088567 343233360 /nfs/dbraw/zinc/23/33/60/343233360.db2.gz QCQXDGOCUUOBOW-SNVBAGLBSA-N 0 3 280.328 1.839 20 5 CDBDHN CC(C)[N@@H+]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596093139 343234647 /nfs/dbraw/zinc/23/46/47/343234647.db2.gz SJGLFWYMXYMDHZ-JTQLQIEISA-N 0 3 280.328 1.838 20 5 CDBDHN CC(C)[N@H+]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596093139 343234650 /nfs/dbraw/zinc/23/46/50/343234650.db2.gz SJGLFWYMXYMDHZ-JTQLQIEISA-N 0 3 280.328 1.838 20 5 CDBDHN C[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000596145126 343243200 /nfs/dbraw/zinc/24/32/00/343243200.db2.gz GUYSTPGVPSNPIL-DTWKUNHWSA-N 0 3 266.301 1.590 20 5 CDBDHN C[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@H+]1C ZINC000596145126 343243201 /nfs/dbraw/zinc/24/32/01/343243201.db2.gz GUYSTPGVPSNPIL-DTWKUNHWSA-N 0 3 266.301 1.590 20 5 CDBDHN CN1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596061739 343223456 /nfs/dbraw/zinc/22/34/56/343223456.db2.gz JLNOBRJLYJNBJQ-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCC[C@H]2O)c1 ZINC000051993397 362169922 /nfs/dbraw/zinc/16/99/22/362169922.db2.gz AVFXBGRIQYLYBW-QWHCGFSZSA-N 0 3 250.298 1.988 20 5 CDBDHN CNC(=O)[C@H](C)N[C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000291785151 529917515 /nfs/dbraw/zinc/91/75/15/529917515.db2.gz ARFPVKCKBWNUPC-QWRGUYRKSA-N 0 3 279.340 1.640 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2C[C@@H](O)C2)c(F)c1 ZINC000599008276 343939034 /nfs/dbraw/zinc/93/90/34/343939034.db2.gz XVSWEHHOSPLRJC-DKTWLAJQSA-N 0 3 254.261 1.594 20 5 CDBDHN C[C@H](NCCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599094617 343953312 /nfs/dbraw/zinc/95/33/12/343953312.db2.gz WYXZQIZQMPABPO-FZMZJTMJSA-N 0 3 279.340 1.312 20 5 CDBDHN COC[C@H](O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000231607320 362318575 /nfs/dbraw/zinc/31/85/75/362318575.db2.gz NKANSVAHPHKPHN-GFCCVEGCSA-N 0 3 254.286 1.082 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCc1ccncc1 ZINC000602795687 344586546 /nfs/dbraw/zinc/58/65/46/344586546.db2.gz CFNYWKFVSWXREF-UHFFFAOYSA-N 0 3 289.339 1.669 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]([C@H](C)O)C1 ZINC000602798624 344589463 /nfs/dbraw/zinc/58/94/63/344589463.db2.gz QXSWDFSSAZWXAP-CMPLNLGQSA-N 0 3 282.344 1.193 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CC1=CCCOC1 ZINC000602886730 344635212 /nfs/dbraw/zinc/63/52/12/344635212.db2.gz DENFBTXONDAKIQ-UHFFFAOYSA-N 0 3 280.328 1.378 20 5 CDBDHN O=[N+]([O-])c1sccc1NC[C@H]1CSCCN1 ZINC000603419897 344799684 /nfs/dbraw/zinc/79/96/84/344799684.db2.gz QPYFNSKYEVZJSG-ZETCQYMHSA-N 0 3 259.356 1.773 20 5 CDBDHN CCc1nn(C)c(NC[C@H]2CSCCN2)c1[N+](=O)[O-] ZINC000603419408 344807717 /nfs/dbraw/zinc/80/77/17/344807717.db2.gz OACJYFOMKAFVBW-QMMMGPOBSA-N 0 3 285.373 1.008 20 5 CDBDHN CCc1nn(C)c(NC[C@@H]2CSCCN2)c1[N+](=O)[O-] ZINC000603419407 344807829 /nfs/dbraw/zinc/80/78/29/344807829.db2.gz OACJYFOMKAFVBW-MRVPVSSYSA-N 0 3 285.373 1.008 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](O)CC2)cc1 ZINC000292904074 362517791 /nfs/dbraw/zinc/51/77/91/362517791.db2.gz AREMZQDUAICMCD-ZDUSSCGKSA-N 0 3 280.324 1.820 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](CO)C2)cc1 ZINC000265819164 362608137 /nfs/dbraw/zinc/60/81/37/362608137.db2.gz KNRVCKDEYWRFKS-GFCCVEGCSA-N 0 3 280.324 1.678 20 5 CDBDHN CN(Cc1ccccc1)C[C@H](O)Cn1ccc([N+](=O)[O-])n1 ZINC000305291250 349946053 /nfs/dbraw/zinc/94/60/53/349946053.db2.gz GDRMPRXGWSWQRW-ZDUSSCGKSA-N 0 3 290.323 1.284 20 5 CDBDHN CN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344441593 362778420 /nfs/dbraw/zinc/77/84/20/362778420.db2.gz PYNCXHSUQSZSKA-UHFFFAOYSA-N 0 3 255.249 1.025 20 5 CDBDHN CN(CCNc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000053582832 347749171 /nfs/dbraw/zinc/74/91/71/347749171.db2.gz MRYOZRQVACFLAT-UHFFFAOYSA-N 0 3 289.339 1.872 20 5 CDBDHN O=C(NCCN1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273465144 192161778 /nfs/dbraw/zinc/16/17/78/192161778.db2.gz NNXAVKAIFITJTK-UHFFFAOYSA-N 0 3 296.302 1.951 20 5 CDBDHN CCN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060793228 348898017 /nfs/dbraw/zinc/89/80/17/348898017.db2.gz BUTPQSBMQZOPKG-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN Cc1c(C(=O)NCCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000067701852 349033491 /nfs/dbraw/zinc/03/34/91/349033491.db2.gz PBZAKRDWKSZZOA-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN COC[C@@H](O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090953141 180073402 /nfs/dbraw/zinc/07/34/02/180073402.db2.gz WWIHGFBXRVRQKH-GWCFXTLKSA-N 0 3 268.313 1.643 20 5 CDBDHN O=C(CCCNCc1cccc([N+](=O)[O-])c1)NC1CC1 ZINC000107844066 186195108 /nfs/dbraw/zinc/19/51/08/186195108.db2.gz AJPPPANPDYDMRI-UHFFFAOYSA-N 0 3 277.324 1.743 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CCN(c3ccncc3)CC2)s1 ZINC000619694148 350835468 /nfs/dbraw/zinc/83/54/68/350835468.db2.gz BHBQRYAKTYYJRE-UHFFFAOYSA-N 0 3 291.336 1.773 20 5 CDBDHN COc1ccc(CNCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000124324778 351348459 /nfs/dbraw/zinc/34/84/59/351348459.db2.gz DHHCZPNCPYDCIH-UHFFFAOYSA-N 0 3 268.313 1.712 20 5 CDBDHN COCCCN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000152516083 188024897 /nfs/dbraw/zinc/02/48/97/188024897.db2.gz FTBBUXYUZBBXKX-UHFFFAOYSA-N 0 3 295.339 1.293 20 5 CDBDHN Cc1nc(NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000250886220 366110798 /nfs/dbraw/zinc/11/07/98/366110798.db2.gz BBUIGLAHYCUYCW-RYUDHWBXSA-N 0 3 292.339 1.573 20 5 CDBDHN C[C@@H](O)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000304528313 356305644 /nfs/dbraw/zinc/30/56/44/356305644.db2.gz MHZRCSYGCSFBCV-ZYHUDNBSSA-N 0 3 268.317 1.027 20 5 CDBDHN C[C@H](CNc1cccnc1[N+](=O)[O-])N(C)C1CC1 ZINC000219436425 356349684 /nfs/dbraw/zinc/34/96/84/356349684.db2.gz NIBHYWBEBFDSEJ-SECBINFHSA-N 0 3 250.302 1.884 20 5 CDBDHN COc1cccc(N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000134894467 356453878 /nfs/dbraw/zinc/45/38/78/356453878.db2.gz IOOQFPXOEKHSCK-UHFFFAOYSA-N 0 3 265.313 1.792 20 5 CDBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000559641363 356755888 /nfs/dbraw/zinc/75/58/88/356755888.db2.gz WKVXBEXKTVMBJQ-SWHYSGLUSA-N 0 3 279.340 1.263 20 5 CDBDHN CN(C)C/C=C/C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000264598462 357410677 /nfs/dbraw/zinc/41/06/77/357410677.db2.gz CVEVJNSBKPHSOC-VMPITWQZSA-N 0 3 292.339 1.241 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000286940259 358038855 /nfs/dbraw/zinc/03/88/55/358038855.db2.gz JWFIRUZBALYZCC-QMMMGPOBSA-N 0 3 295.295 1.003 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2CCO)n1 ZINC000176237980 358745610 /nfs/dbraw/zinc/74/56/10/358745610.db2.gz BHSQMUVAUHMSCE-LLVKDONJSA-N 0 3 268.317 1.028 20 5 CDBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000101957114 358867336 /nfs/dbraw/zinc/86/73/36/358867336.db2.gz IBLNNVMETDTXMH-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN COc1ccc(CNC[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000342212367 358966346 /nfs/dbraw/zinc/96/63/46/358966346.db2.gz NMIPPDJEHDHSFD-GFCCVEGCSA-N 0 3 282.340 1.958 20 5 CDBDHN C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000311696947 358927263 /nfs/dbraw/zinc/92/72/63/358927263.db2.gz LPLFHTKZRCDEIZ-SECBINFHSA-N 0 3 287.341 1.001 20 5 CDBDHN CNC(=O)CCCNCc1ccccc1[N+](=O)[O-] ZINC000111815663 359265515 /nfs/dbraw/zinc/26/55/15/359265515.db2.gz XGDBZDBVLNSCHU-UHFFFAOYSA-N 0 3 251.286 1.211 20 5 CDBDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C ZINC000120093452 359515337 /nfs/dbraw/zinc/51/53/37/359515337.db2.gz SJBIUSNTNCRTRE-JTQLQIEISA-N 0 3 297.380 1.753 20 5 CDBDHN COc1ccc(OCCN(CCO)C(C)C)c([N+](=O)[O-])c1 ZINC000176366337 360252407 /nfs/dbraw/zinc/25/24/07/360252407.db2.gz GUFNHERHSLSOLH-UHFFFAOYSA-N 0 3 298.339 1.685 20 5 CDBDHN CO[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000267697464 361322208 /nfs/dbraw/zinc/32/22/08/361322208.db2.gz SZZPPKNOWDXMHR-ZDUSSCGKSA-N 0 3 266.297 1.694 20 5 CDBDHN Cc1c(CN2C[C@@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000340906263 363858270 /nfs/dbraw/zinc/85/82/70/363858270.db2.gz ATWWYIPGBKZWSV-SKDRFNHKSA-N 0 3 250.298 1.858 20 5 CDBDHN NC(=O)c1ccc(CNC2(CO)CCCC2)c([N+](=O)[O-])c1 ZINC000304868555 239364943 /nfs/dbraw/zinc/36/49/43/239364943.db2.gz DGHWHMTXEQOYJX-UHFFFAOYSA-N 0 3 293.323 1.088 20 5 CDBDHN C[C@H](C[S@](C)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000168164925 363967823 /nfs/dbraw/zinc/96/78/23/363967823.db2.gz RXROQIZOFQKTBH-VVVCHXIZSA-N 0 3 256.327 1.451 20 5 CDBDHN CCN1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000412852317 240398528 /nfs/dbraw/zinc/39/85/28/240398528.db2.gz WYUYKQXZKIBCED-NSHDSACASA-N 0 3 295.314 1.487 20 5 CDBDHN CN1CC=C(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000272022935 367056576 /nfs/dbraw/zinc/05/65/76/367056576.db2.gz XTTYZNCRMYLROQ-UHFFFAOYSA-N 0 3 290.323 1.978 20 5 CDBDHN CN1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272436906 367732907 /nfs/dbraw/zinc/73/29/07/367732907.db2.gz MBCUWOUWDVLSKH-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1ccc([N+](=O)[O-])cn1 ZINC000420645042 244308695 /nfs/dbraw/zinc/30/86/95/244308695.db2.gz ZRJOQAROEBKXAD-LLVKDONJSA-N 0 3 250.302 1.520 20 5 CDBDHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000330880542 203346851 /nfs/dbraw/zinc/34/68/51/203346851.db2.gz NCKRDGUDIFNKJJ-RISCZKNCSA-N 0 3 279.340 1.312 20 5 CDBDHN CC[C@H](CO)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000295693984 370571691 /nfs/dbraw/zinc/57/16/91/370571691.db2.gz LXUNHFMTIFFBHZ-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN CSCC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000130809450 373744234 /nfs/dbraw/zinc/74/42/34/373744234.db2.gz KYXSJKUCWIHZLG-SNVBAGLBSA-N 0 3 269.326 1.614 20 5 CDBDHN COc1ccc(CNC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000113310324 374250015 /nfs/dbraw/zinc/25/00/15/374250015.db2.gz GTRQTLJYCWNNCC-SECBINFHSA-N 0 3 254.286 1.321 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3cn[nH]c3)CC2)c1 ZINC000370003038 374374519 /nfs/dbraw/zinc/37/45/19/374374519.db2.gz WIFMDGMMXGMLAK-UHFFFAOYSA-N 0 3 290.327 1.394 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC(N(C)C)C1 ZINC000283983402 375127198 /nfs/dbraw/zinc/12/71/98/375127198.db2.gz ZZCXKILSYDMAGB-UHFFFAOYSA-N 0 3 293.323 1.440 20 5 CDBDHN COc1cc(C(=O)NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000299620201 375186695 /nfs/dbraw/zinc/18/66/95/375186695.db2.gz DPRHCGREGHEQGA-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CCN1CC[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493331046 375444410 /nfs/dbraw/zinc/44/44/10/375444410.db2.gz FZYBADACXRTDNA-YBJDMEARSA-N 0 3 289.335 1.818 20 5 CDBDHN NC(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000353196856 375586113 /nfs/dbraw/zinc/58/61/13/375586113.db2.gz XYAXHSGELMVICV-VIFPVBQESA-N 0 3 291.229 1.143 20 5 CDBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCCN1C ZINC000354558235 375726519 /nfs/dbraw/zinc/72/65/19/375726519.db2.gz ASFWUQQBEMYNRY-WPRPVWTQSA-N 0 3 251.290 1.279 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H](C)CC(N)=O ZINC000345043085 375730813 /nfs/dbraw/zinc/73/08/13/375730813.db2.gz DSVWZGWNBMXPHA-RUYJGKKWSA-N 0 3 277.324 1.852 20 5 CDBDHN Cc1nc(N[C@@H]2CN(C(C)C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000450380021 251255104 /nfs/dbraw/zinc/25/51/04/251255104.db2.gz POWXCKIPRFBTNO-MWLCHTKSSA-N 0 3 279.344 1.834 20 5 CDBDHN C[C@H](NC[C@@H](O)CN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312508 197293253 /nfs/dbraw/zinc/29/32/53/197293253.db2.gz FDQZDDXJNJIVKM-XHDPSFHLSA-N 0 3 293.367 1.701 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000289281176 197283872 /nfs/dbraw/zinc/28/38/72/197283872.db2.gz SPJJVWDQWUDAAE-QMMMGPOBSA-N 0 3 284.291 1.806 20 5 CDBDHN O=[N+]([O-])c1cccnc1N1CC[C@@H](N2CCCC2)C1 ZINC000072089516 285166234 /nfs/dbraw/zinc/16/62/34/285166234.db2.gz AFGOTSNCQHMIBJ-LLVKDONJSA-N 0 3 262.313 1.664 20 5 CDBDHN CO[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000451568996 390631329 /nfs/dbraw/zinc/63/13/29/390631329.db2.gz SFJWSEZYIXLEFB-LLVKDONJSA-N 0 3 282.344 1.538 20 5 CDBDHN CC[C@]1(CO)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187581392 390858891 /nfs/dbraw/zinc/85/88/91/390858891.db2.gz CJDOAODOYIVGCW-ZDUSSCGKSA-N 0 3 282.344 1.276 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773188 392213547 /nfs/dbraw/zinc/21/35/47/392213547.db2.gz XMKIIXXUUAKWCO-MNOVXSKESA-N 0 3 264.329 1.766 20 5 CDBDHN C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237603448 131046386 /nfs/dbraw/zinc/04/63/86/131046386.db2.gz HRZJTUSJWVOFLH-QWRGUYRKSA-N 0 3 293.323 1.182 20 5 CDBDHN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000248336653 131113225 /nfs/dbraw/zinc/11/32/25/131113225.db2.gz HDCCITJMKFEXKL-ZJUUUORDSA-N 0 3 277.324 1.924 20 5 CDBDHN CCCN1C[C@@H](CNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000421354763 392933075 /nfs/dbraw/zinc/93/30/75/392933075.db2.gz SQIWHKCVZCCSII-GFCCVEGCSA-N 0 3 291.351 1.943 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000530916839 393057802 /nfs/dbraw/zinc/05/78/02/393057802.db2.gz QSBXFOGALJSXNE-SNVBAGLBSA-N 0 3 292.339 1.249 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)C2CCC2)cs1 ZINC000316668805 393059607 /nfs/dbraw/zinc/05/96/07/393059607.db2.gz XVFKNDYOYSDCOU-SNVBAGLBSA-N 0 3 256.327 1.907 20 5 CDBDHN CCN(CCOCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000281935753 393163585 /nfs/dbraw/zinc/16/35/85/393163585.db2.gz DQMSJJRXRCYUDV-UHFFFAOYSA-N 0 3 298.339 1.304 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCC2(CC2)C1 ZINC000187000023 140074227 /nfs/dbraw/zinc/07/42/27/140074227.db2.gz IEUUDXHNUKXQGI-UHFFFAOYSA-N 0 3 277.324 1.633 20 5 CDBDHN C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C1=CCN(C)CC1 ZINC000543754606 397627389 /nfs/dbraw/zinc/62/73/89/397627389.db2.gz UJXMHYUVDIHOGE-JTQLQIEISA-N 0 3 292.339 1.314 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCN1C ZINC000334020867 149300815 /nfs/dbraw/zinc/30/08/15/149300815.db2.gz DHNMPLPFDGINEQ-UWVGGRQHSA-N 0 3 292.339 1.390 20 5 CDBDHN CCCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000343570807 152228560 /nfs/dbraw/zinc/22/85/60/152228560.db2.gz ABIYBALUCBWALB-NSHDSACASA-N 0 3 294.355 1.538 20 5 CDBDHN C[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000343803437 152308558 /nfs/dbraw/zinc/30/85/58/152308558.db2.gz IBUMJJNVQNGXAN-SSDOTTSWSA-N 0 3 256.281 1.678 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c1 ZINC000344035333 152398179 /nfs/dbraw/zinc/39/81/79/152398179.db2.gz RQTHRSFYZGEZFK-NILFDRSVSA-N 0 3 292.335 1.676 20 5 CDBDHN Cc1c[nH]nc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000284227057 196008719 /nfs/dbraw/zinc/00/87/19/196008719.db2.gz YSPCQJGASMIYAU-UHFFFAOYSA-N 0 3 260.297 1.959 20 5 CDBDHN CN1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cn2)C1 ZINC000274023824 277182069 /nfs/dbraw/zinc/18/20/69/277182069.db2.gz WGUUPYVNKDDWCL-JQWIXIFHSA-N 0 3 277.328 1.305 20 5 CDBDHN C[C@H]1CCN(C)CCN1c1ncccc1[N+](=O)[O-] ZINC000354089483 278366663 /nfs/dbraw/zinc/36/66/63/278366663.db2.gz DOAPMAUCCAXVNF-JTQLQIEISA-N 0 3 250.302 1.520 20 5 CDBDHN CSCCN(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552521 279279306 /nfs/dbraw/zinc/27/93/06/279279306.db2.gz MUWYIEBUWIZPIO-UHFFFAOYSA-N 0 3 271.342 1.051 20 5 CDBDHN Cc1n[nH]c(C(=O)NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457078114 280189257 /nfs/dbraw/zinc/18/92/57/280189257.db2.gz QFRRSJWRVJDOIG-UHFFFAOYSA-N 0 3 295.343 1.231 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN(C)CC1 ZINC000052812292 280665713 /nfs/dbraw/zinc/66/57/13/280665713.db2.gz VXZREUJODIVSPV-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056162 288299178 /nfs/dbraw/zinc/29/91/78/288299178.db2.gz OYVPLWGPRARDCP-NEPJUHHUSA-N 0 3 293.371 1.387 20 5 CDBDHN Cc1c(C(=O)NCCOCCN(C)C)cccc1[N+](=O)[O-] ZINC000540845744 289460253 /nfs/dbraw/zinc/46/02/53/289460253.db2.gz JDCZWGYXQQGAIK-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN CN1CC[C@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000350160106 316150563 /nfs/dbraw/zinc/15/05/63/316150563.db2.gz LJKCVNSQHJPGDR-VIFPVBQESA-N 0 3 289.295 1.383 20 5 CDBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC(O)C1 ZINC000337313482 522680961 /nfs/dbraw/zinc/68/09/61/522680961.db2.gz GYBQEQKJGZKBFD-UHFFFAOYSA-N 0 3 293.323 1.379 20 5 CDBDHN CC[C@H](N[C@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018590 522751295 /nfs/dbraw/zinc/75/12/95/522751295.db2.gz IGWSPPRNDWICLV-AAEUAGOBSA-N 0 3 277.324 1.914 20 5 CDBDHN C[C@@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000157857691 524985881 /nfs/dbraw/zinc/98/58/81/524985881.db2.gz DCIIBVFBAPDWGU-SECBINFHSA-N 0 3 263.297 1.433 20 5 CDBDHN CSCC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943172 525580667 /nfs/dbraw/zinc/58/06/67/525580667.db2.gz DCGJNAWGHMTULG-NSHDSACASA-N 0 3 283.353 1.291 20 5 CDBDHN Cc1c(CNC[C@H]2CN(C)CCN2C)cccc1[N+](=O)[O-] ZINC000068804020 525726047 /nfs/dbraw/zinc/72/60/47/525726047.db2.gz BEBAGZMBHNTAEF-AWEZNQCLSA-N 0 3 292.383 1.239 20 5 CDBDHN NC(=O)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000367983298 526910130 /nfs/dbraw/zinc/91/01/30/526910130.db2.gz OKVODQLLPMXIPG-LLVKDONJSA-N 0 3 263.297 1.292 20 5 CDBDHN CCN(CC)CCOC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000772076734 575658945 /nfs/dbraw/zinc/65/89/45/575658945.db2.gz SNXQWHWAMQXQNI-UHFFFAOYSA-N 0 3 298.343 1.411 20 5 CDBDHN Nc1cc([N+](=O)[O-])ccc1C(=O)OCCN1CCCCC1 ZINC000763289969 576729428 /nfs/dbraw/zinc/72/94/28/576729428.db2.gz YANKGHYURZTGET-UHFFFAOYSA-N 0 3 293.323 1.820 20 5 CDBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000893329418 617583276 /nfs/dbraw/zinc/58/32/76/617583276.db2.gz QOZHIBZJJCFLTN-PWSUYJOCSA-N 0 3 298.364 1.508 20 5 CDBDHN CO[C@H]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591230 617689275 /nfs/dbraw/zinc/68/92/75/617689275.db2.gz HTZOENVAZMZTLF-STQMWFEESA-N 0 3 266.297 1.349 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000894041462 618284507 /nfs/dbraw/zinc/28/45/07/618284507.db2.gz CEXPDVSCJKPHOI-ONGXEEELSA-N 0 3 296.323 1.824 20 5 CDBDHN COc1c(O)ccc(CN[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000894521153 618934473 /nfs/dbraw/zinc/93/44/73/618934473.db2.gz TVBJCQNCJCCPMN-JTQLQIEISA-N 0 3 282.296 1.578 20 5 CDBDHN COc1c(O)ccc(CN[C@@H]2COC[C@@H]2C)c1[N+](=O)[O-] ZINC000896733875 620217048 /nfs/dbraw/zinc/21/70/48/620217048.db2.gz SRPCRIYXCDTRSS-WCBMZHEXSA-N 0 3 282.296 1.434 20 5 CDBDHN C[C@H](N[C@@H](C)[C@@H]1CNCCO1)c1ccccc1[N+](=O)[O-] ZINC001576252236 1171371877 /nfs/dbraw/zinc/37/18/77/1171371877.db2.gz QHPSWQDZMXXWPP-MJVIPROJSA-N 0 3 279.340 1.622 20 5 CDBDHN CC(COC(=O)c1cnc(N(C)C)c(Cl)c1)[N+](=O)[O-] ZINC000847713798 697828233 /nfs/dbraw/zinc/82/82/33/697828233.db2.gz CDXDONKBYNMHGL-SSDOTTSWSA-N 0 3 287.703 1.623 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)C[C@@H]1CCCO1 ZINC000886229076 697849678 /nfs/dbraw/zinc/84/96/78/697849678.db2.gz KUSFWESHZZESKQ-OLZOCXBDSA-N 0 3 280.324 1.614 20 5 CDBDHN CC(=O)NCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881426 697959742 /nfs/dbraw/zinc/95/97/42/697959742.db2.gz ZOYMKGONLPLSFM-ISVAXAHUSA-N 0 3 298.270 1.211 20 5 CDBDHN CC(COC(=O)c1ccc(C(=O)NC2CC2)cc1)[N+](=O)[O-] ZINC000813109841 698072684 /nfs/dbraw/zinc/07/26/84/698072684.db2.gz WVFZSLDAHKDYER-VIFPVBQESA-N 0 3 292.291 1.401 20 5 CDBDHN CO[C@H](C)CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796642021 698078725 /nfs/dbraw/zinc/07/87/25/698078725.db2.gz WFMOGVMOZCJAKQ-ZWNOBZJWSA-N 0 3 268.313 1.595 20 5 CDBDHN CC(COC(=O)[C@@H](C)OCc1ccc(F)cc1)[N+](=O)[O-] ZINC000835453392 698095682 /nfs/dbraw/zinc/09/56/82/698095682.db2.gz BUOPUXTYNZUHMW-NXEZZACHSA-N 0 3 285.271 1.939 20 5 CDBDHN CC[S@@](=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848532133 698290935 /nfs/dbraw/zinc/29/09/35/698290935.db2.gz ZVLBZXCZAWVZFQ-CWTRNNRKSA-N 0 3 282.365 1.940 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](CF)C1 ZINC000880238462 698291156 /nfs/dbraw/zinc/29/11/56/698291156.db2.gz HIHJFASBZKZUSQ-NSHDSACASA-N 0 3 270.308 1.781 20 5 CDBDHN COc1ccc(/C=C\C(=O)OCC(C)[N+](=O)[O-])cc1OC ZINC000813115605 698355814 /nfs/dbraw/zinc/35/58/14/698355814.db2.gz WDDUQEXDFZUNIE-ONRRBMGISA-N 0 3 295.291 1.925 20 5 CDBDHN Cc1nn(CN2CC[C@@H](N3CC=CC3)C2)c(C)c1[N+](=O)[O-] ZINC000172933299 698630713 /nfs/dbraw/zinc/63/07/13/698630713.db2.gz RGWMYEXPHPTQRZ-CYBMUJFWSA-N 0 3 291.355 1.312 20 5 CDBDHN C[C@H](NCCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000775188264 698801084 /nfs/dbraw/zinc/80/10/84/698801084.db2.gz YLDVAZAVPKFJST-JTQLQIEISA-N 0 3 279.296 1.698 20 5 CDBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001164634363 719221935 /nfs/dbraw/zinc/22/19/35/719221935.db2.gz GOUAKPHYEVVEQX-VHSXEESVSA-N 0 3 289.339 2.000 20 5 CDBDHN CC(COC(=O)C1CN(C(=O)C2CCCCC2)C1)[N+](=O)[O-] ZINC000835456380 848620615 /nfs/dbraw/zinc/62/06/15/848620615.db2.gz UOGDEPYRZJRBBW-JTQLQIEISA-N 0 3 298.339 1.234 20 5 CDBDHN COCCN(C)CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804422361 848860803 /nfs/dbraw/zinc/86/08/03/848860803.db2.gz OCROBWJPTFAIHF-UHFFFAOYSA-N 0 3 298.299 1.493 20 5 CDBDHN Cc1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000841867743 848909597 /nfs/dbraw/zinc/90/95/97/848909597.db2.gz WVNWKORYHHXFEF-CQSZACIVSA-N 0 3 290.323 1.460 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000134497487 849469307 /nfs/dbraw/zinc/46/93/07/849469307.db2.gz IRLPPLVZJJZTDZ-GHMZBOCLSA-N 0 3 278.312 1.265 20 5 CDBDHN Cc1cc2c(cc1C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])CO2 ZINC000813114916 849508355 /nfs/dbraw/zinc/50/83/55/849508355.db2.gz XSKLMYDEJQDLHY-JQWIXIFHSA-N 0 3 279.292 1.988 20 5 CDBDHN CC(COC(=O)c1cc(F)ccc1-n1cccn1)[N+](=O)[O-] ZINC000813113080 849522793 /nfs/dbraw/zinc/52/27/93/849522793.db2.gz AFKMPGFDMAWEHF-VIFPVBQESA-N 0 3 293.254 1.833 20 5 CDBDHN CC(COC(=O)c1cccc(-n2ccnn2)c1)[N+](=O)[O-] ZINC000813107637 849725889 /nfs/dbraw/zinc/72/58/89/849725889.db2.gz PROSAEFASJYWRE-SECBINFHSA-N 0 3 276.252 1.089 20 5 CDBDHN C[C@@H]1C[C@H](O)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832717335 849847949 /nfs/dbraw/zinc/84/79/49/849847949.db2.gz FNGRPGGVCBKKQC-DDTOSNHZSA-N 0 3 280.324 1.331 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(C)CC1 ZINC001173230456 912329407 /nfs/dbraw/zinc/32/94/07/912329407.db2.gz YFJPBHHQFDMBEM-LBPRGKRZSA-N 0 3 263.341 1.773 20 5 CDBDHN CCN1C[C@H](C)N(c2nnc([C@@H](C)[N+](=O)[O-])n2C)C[C@@H]1C ZINC001121298556 912954711 /nfs/dbraw/zinc/95/47/11/912954711.db2.gz ZIAUBABBGJJHMC-GARJFASQSA-N 0 3 296.375 1.072 20 5 CDBDHN CN1CCN(C(=N)Nc2nc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001168737375 921896298 /nfs/dbraw/zinc/89/62/98/921896298.db2.gz SRNATLCWHCOJDT-UHFFFAOYSA-N 0 3 298.734 1.237 20 5 CDBDHN COc1ccccc1C(=O)CN[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980236 927569327 /nfs/dbraw/zinc/56/93/27/927569327.db2.gz CJOGSEITSZVSBX-RYUDHWBXSA-N 0 3 292.335 1.913 20 5 CDBDHN COC1C[C@@H]2COC[C@H](C1)N2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023903 927663389 /nfs/dbraw/zinc/66/33/89/927663389.db2.gz GLKDBPMTQWDTSI-CSHRUCKSSA-N 0 3 284.356 1.310 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC001169026592 927667180 /nfs/dbraw/zinc/66/71/80/927667180.db2.gz NBPWODJYOLMJBK-KFWWJZLASA-N 0 3 297.399 1.228 20 5 CDBDHN NCc1ccnn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001155123779 937638405 /nfs/dbraw/zinc/63/84/05/937638405.db2.gz ITQCHBPRGAHMIU-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN Cc1cc(CN)nn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156038482 938312665 /nfs/dbraw/zinc/31/26/65/938312665.db2.gz UJQWQSVMLITRKH-UHFFFAOYSA-N 0 3 284.279 1.491 20 5 CDBDHN C[C@H](N)c1ccn(-c2ncnc3cc([N+](=O)[O-])ccc32)n1 ZINC001158349946 938611932 /nfs/dbraw/zinc/61/19/32/938611932.db2.gz WTCMQGGUDJOFSD-QMMMGPOBSA-N 0 3 284.279 1.743 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NC[C@@H](O)c1ccco1)CNC2 ZINC001162261063 938968738 /nfs/dbraw/zinc/96/87/38/938968738.db2.gz KWOYMOLGZSSJJJ-CYBMUJFWSA-N 0 3 289.291 1.937 20 5 CDBDHN CCOc1cnc(-n2cnc(CN)c2)c([N+](=O)[O-])c1 ZINC001162296674 938972677 /nfs/dbraw/zinc/97/26/77/938972677.db2.gz JDDIIGQFXSDQKJ-UHFFFAOYSA-N 0 3 263.257 1.033 20 5 CDBDHN CN(C)c1ccc(-n2nccc2CN)c([N+](=O)[O-])c1 ZINC001162597466 939098462 /nfs/dbraw/zinc/09/84/62/939098462.db2.gz HAIZYFUIWCPJIB-UHFFFAOYSA-N 0 3 261.285 1.305 20 5 CDBDHN CCN1CCCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001163771493 939326788 /nfs/dbraw/zinc/32/67/88/939326788.db2.gz ZIYCYLDMCAWUMA-UHFFFAOYSA-N 0 3 250.302 1.522 20 5 CDBDHN CO[C@@H]1CCN(CCOCc2ccccc2[N+](=O)[O-])C1 ZINC001222761396 941632556 /nfs/dbraw/zinc/63/25/56/941632556.db2.gz PWHXJEJSZBQKLE-CYBMUJFWSA-N 0 3 280.324 1.832 20 5 CDBDHN COC(=O)[C@H](O[C@H]1CCN(C)C1)c1ccccc1[N+](=O)[O-] ZINC001223638876 941689168 /nfs/dbraw/zinc/68/91/68/941689168.db2.gz ABWVCUZTILHDEE-GXFFZTMASA-N 0 3 294.307 1.530 20 5 CDBDHN COC(=O)c1cccc(CO[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC001223665553 941690469 /nfs/dbraw/zinc/69/04/69/941690469.db2.gz UNEXYZSNSZZBPX-NSHDSACASA-N 0 3 294.307 1.602 20 5 CDBDHN CCN1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733077 942059919 /nfs/dbraw/zinc/05/99/19/942059919.db2.gz GTUMFXNNMMYTER-JTQLQIEISA-N 0 3 252.274 1.248 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@H](CO)C1 ZINC001254551825 947521444 /nfs/dbraw/zinc/52/14/44/947521444.db2.gz GGWMTGBBRAUKCP-OSAQELSMSA-N 0 3 294.351 1.201 20 5 CDBDHN COCCN1CCC(Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001322677226 960294051 /nfs/dbraw/zinc/29/40/51/960294051.db2.gz ICESXQPBQWTBIE-UHFFFAOYSA-N 0 3 294.355 1.243 20 5 CDBDHN CC(COC(=O)c1ccc(-n2cccn2)c(F)c1)[N+](=O)[O-] ZINC001343372388 963961755 /nfs/dbraw/zinc/96/17/55/963961755.db2.gz YKYBXROANCBYCG-VIFPVBQESA-N 0 3 293.254 1.833 20 5 CDBDHN C[C@]1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC001573622347 1170710831 /nfs/dbraw/zinc/71/08/31/1170710831.db2.gz NEVGXVJLRUODQZ-LBPRGKRZSA-N 0 3 299.277 1.555 20 5 CDBDHN Cc1cc(N[C@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000589101430 342496896 /nfs/dbraw/zinc/49/68/96/342496896.db2.gz DFTYVDQCIYAUFI-NSHDSACASA-N 0 3 253.302 1.238 20 5 CDBDHN C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)C ZINC000031100395 342074577 /nfs/dbraw/zinc/07/45/77/342074577.db2.gz RIGIEMRYHXKADX-VIFPVBQESA-N 0 3 266.301 1.666 20 5 CDBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000047745626 342119199 /nfs/dbraw/zinc/11/91/99/342119199.db2.gz HDWKZPDNSNNFTE-CYBMUJFWSA-N 0 3 291.351 1.753 20 5 CDBDHN COc1ccc(CNC(=O)[C@H]2NCC2(C)C)cc1[N+](=O)[O-] ZINC000591669239 342641317 /nfs/dbraw/zinc/64/13/17/342641317.db2.gz KOOCSQSTTSXVHT-GFCCVEGCSA-N 0 3 293.323 1.218 20 5 CDBDHN CC(C)O[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593055311 342760139 /nfs/dbraw/zinc/76/01/39/342760139.db2.gz JQEFTMRGORRQBK-ZDUSSCGKSA-N 0 3 282.344 1.681 20 5 CDBDHN CCO[C@@H]1COC[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000451937471 361879675 /nfs/dbraw/zinc/87/96/75/361879675.db2.gz LWIMVSKCYWGVSM-ZIAGYGMSSA-N 0 3 296.323 1.367 20 5 CDBDHN C[C@@H](O)CN(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594056836 342869250 /nfs/dbraw/zinc/86/92/50/342869250.db2.gz ZGZSTACDEVWDFR-LLVKDONJSA-N 0 3 280.324 1.819 20 5 CDBDHN C[C@@H](NCc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000594964905 342990510 /nfs/dbraw/zinc/99/05/10/342990510.db2.gz CTEUHPCZXVFXCE-SNVBAGLBSA-N 0 3 250.298 1.845 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN(CCc1c[nH]nn1)C1CC1 ZINC000595388907 343053050 /nfs/dbraw/zinc/05/30/50/343053050.db2.gz YQRHOKKHZIYMDP-UHFFFAOYSA-N 0 3 287.323 1.920 20 5 CDBDHN C[C@H](O)CCN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000075782617 342317492 /nfs/dbraw/zinc/31/74/92/342317492.db2.gz MZRVDHSXIFOWEX-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](N2CCCC2)C1 ZINC000079403894 342344238 /nfs/dbraw/zinc/34/42/38/342344238.db2.gz MZCRMMJVKICFDB-NSHDSACASA-N 0 3 292.339 1.623 20 5 CDBDHN C[C@H](O)[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000595769047 343146522 /nfs/dbraw/zinc/14/65/22/343146522.db2.gz IVHNOVIDECDNOA-GXFFZTMASA-N 0 3 250.298 1.940 20 5 CDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@@H]1CCO ZINC000595697456 343124965 /nfs/dbraw/zinc/12/49/65/343124965.db2.gz LISWWRLKZFGVPN-DGCLKSJQSA-N 0 3 282.344 1.274 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000595875581 343178278 /nfs/dbraw/zinc/17/82/78/343178278.db2.gz QYWYJWGUMGKSMG-IUODEOHRSA-N 0 3 294.351 1.924 20 5 CDBDHN CCN1CCCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000596270203 343281459 /nfs/dbraw/zinc/28/14/59/343281459.db2.gz WDDDDDWUTWFPLQ-SNVBAGLBSA-N 0 3 265.317 1.305 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000596483304 343328352 /nfs/dbraw/zinc/32/83/52/343328352.db2.gz YOLNKFJBKGHVBJ-SNVBAGLBSA-N 0 3 280.328 1.147 20 5 CDBDHN CCc1nn(C)c(N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000094159985 342430097 /nfs/dbraw/zinc/43/00/97/342430097.db2.gz BMKGOPHSUIWMAF-NSHDSACASA-N 0 3 295.387 1.669 20 5 CDBDHN COC(=O)[C@H]1C[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000597218647 343483399 /nfs/dbraw/zinc/48/33/99/343483399.db2.gz QVTDYWWKLWODGV-TXEJJXNPSA-N 0 3 278.308 1.944 20 5 CDBDHN Cn1cc(CN2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])n1 ZINC000602623519 344500919 /nfs/dbraw/zinc/50/09/19/344500919.db2.gz HLLGHNJMZFIVMF-GXSJLCMTSA-N 0 3 250.302 1.703 20 5 CDBDHN CC[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602786195 344599141 /nfs/dbraw/zinc/59/91/41/344599141.db2.gz CRCFELYHHCIWPU-LLVKDONJSA-N 0 3 252.318 1.832 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@@H](CO)C1 ZINC000602914143 344647383 /nfs/dbraw/zinc/64/73/83/344647383.db2.gz RUFIPKOTGPJKOE-CMPLNLGQSA-N 0 3 282.344 1.050 20 5 CDBDHN CN(C)CCc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000603199903 344732256 /nfs/dbraw/zinc/73/22/56/344732256.db2.gz ZBTFHMAUEUUIRW-UHFFFAOYSA-N 0 3 289.339 1.533 20 5 CDBDHN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057715816 347084630 /nfs/dbraw/zinc/08/46/30/347084630.db2.gz JHJROUOOVYYEIC-JTQLQIEISA-N 0 3 277.324 1.807 20 5 CDBDHN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCN(C)CC1 ZINC000052929593 345308132 /nfs/dbraw/zinc/30/81/32/345308132.db2.gz WTCPQROZCYZKES-UHFFFAOYSA-N 0 3 266.301 1.089 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](CO)C1 ZINC000265796586 362613081 /nfs/dbraw/zinc/61/30/81/362613081.db2.gz HJHWQYXMAXKEAN-LLVKDONJSA-N 0 3 266.297 1.288 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CNCCN1CCC1)OCCO2 ZINC000611039956 346590109 /nfs/dbraw/zinc/59/01/09/346590109.db2.gz RYBSEGQPBPBCGZ-UHFFFAOYSA-N 0 3 293.323 1.161 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)CC2CC2)c1 ZINC000611108201 346610174 /nfs/dbraw/zinc/61/01/74/346610174.db2.gz DNANNMUJCOVROP-GFCCVEGCSA-N 0 3 250.298 1.845 20 5 CDBDHN CN(Cc1ccsc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304344195 347615040 /nfs/dbraw/zinc/61/50/40/347615040.db2.gz QARQCLVYWJTCKX-GFCCVEGCSA-N 0 3 296.352 1.346 20 5 CDBDHN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273428515 192147858 /nfs/dbraw/zinc/14/78/58/192147858.db2.gz WVHWKDWLFYHOQE-QMTHXVAHSA-N 0 3 290.323 1.713 20 5 CDBDHN C[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000033093194 348697027 /nfs/dbraw/zinc/69/70/27/348697027.db2.gz LBIDDLNFYOZGQE-JTQLQIEISA-N 0 3 297.380 1.753 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](C)C1 ZINC000046954164 348802235 /nfs/dbraw/zinc/80/22/35/348802235.db2.gz WBZLLASSTRUARF-MNOVXSKESA-N 0 3 294.355 1.773 20 5 CDBDHN CC(C)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000068916289 349083843 /nfs/dbraw/zinc/08/38/43/349083843.db2.gz XVKZVUWULYXGRJ-UHFFFAOYSA-N 0 3 264.329 1.910 20 5 CDBDHN CCOC[C@@H](O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292045322 198144708 /nfs/dbraw/zinc/14/47/08/198144708.db2.gz AXLVOOIEDLENJO-NSHDSACASA-N 0 3 282.340 1.817 20 5 CDBDHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152516763 188025448 /nfs/dbraw/zinc/02/54/48/188025448.db2.gz FJJPGDYMWQQVNC-UHFFFAOYSA-N 0 3 271.704 1.540 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000152562810 188029078 /nfs/dbraw/zinc/02/90/78/188029078.db2.gz RENYGGQQMJCMSZ-SECBINFHSA-N 0 3 297.742 1.930 20 5 CDBDHN CN(C)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151753526 363237385 /nfs/dbraw/zinc/23/73/85/363237385.db2.gz VACOJVTZZORWJP-UHFFFAOYSA-N 0 3 265.313 1.205 20 5 CDBDHN Cc1c(NC(=O)[C@@H](N)C(C)C)cccc1[N+](=O)[O-] ZINC000037029855 363316167 /nfs/dbraw/zinc/31/61/67/363316167.db2.gz QCUFPJNUEOGUSV-NSHDSACASA-N 0 3 251.286 1.825 20 5 CDBDHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCCN(C)C1 ZINC000610187374 357490211 /nfs/dbraw/zinc/49/02/11/357490211.db2.gz AZKFWUQYHSZTRI-JTQLQIEISA-N 0 3 280.328 1.100 20 5 CDBDHN C[C@@H](NC(=O)[C@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1 ZINC000188359379 357884481 /nfs/dbraw/zinc/88/44/81/357884481.db2.gz CDQBCPCZRSOHII-UBHAPETDSA-N 0 3 281.287 1.472 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286889653 358023792 /nfs/dbraw/zinc/02/37/92/358023792.db2.gz GBFYFIKJKVBJIA-VIFPVBQESA-N 0 3 299.758 1.857 20 5 CDBDHN C[C@@H](NC[C@@]1(O)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294780972 199180014 /nfs/dbraw/zinc/18/00/14/199180014.db2.gz NVDYXMFIOVEEMH-RNCFNFMXSA-N 0 3 297.380 1.696 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000193580990 358305806 /nfs/dbraw/zinc/30/58/06/358305806.db2.gz WEIVIIZUAMWZGY-MFKMUULPSA-N 0 3 293.323 1.088 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000294854906 199215529 /nfs/dbraw/zinc/21/55/29/199215529.db2.gz VGKCMQIXVKCXQT-SNVBAGLBSA-N 0 3 292.339 1.263 20 5 CDBDHN Cc1ncc(CNCCc2ccc([N+](=O)[O-])cc2)n1C ZINC000566927112 358594668 /nfs/dbraw/zinc/59/46/68/358594668.db2.gz UZPHIOSVILFQDK-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCCC[C@H]2CO)cc1 ZINC000048346867 359201230 /nfs/dbraw/zinc/20/12/30/359201230.db2.gz PQVXAQNNIRAZID-AWEZNQCLSA-N 0 3 264.325 1.984 20 5 CDBDHN O=C1NCCC[C@@H]1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569806869 359263687 /nfs/dbraw/zinc/26/36/87/359263687.db2.gz IGBGZVSWKBHWGS-GFCCVEGCSA-N 0 3 289.335 1.479 20 5 CDBDHN CN(CCNc1ncnc2cccc([N+](=O)[O-])c21)C1CC1 ZINC000347403499 359349992 /nfs/dbraw/zinc/34/99/92/359349992.db2.gz WBKDHGPLJOROHW-UHFFFAOYSA-N 0 3 287.323 1.466 20 5 CDBDHN Cc1nn(C)c(NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000114709002 359494438 /nfs/dbraw/zinc/49/44/38/359494438.db2.gz CWDMPEKXMDFXCI-SECBINFHSA-N 0 3 253.306 1.143 20 5 CDBDHN CC(C)[C@](C)(NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000297654977 200254009 /nfs/dbraw/zinc/25/40/09/200254009.db2.gz NNAIDZIYGDZKNB-AWEZNQCLSA-N 0 3 295.339 1.463 20 5 CDBDHN CSC[C@@](C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000217842626 360110054 /nfs/dbraw/zinc/11/00/54/360110054.db2.gz UYILOPXHORACPC-JTQLQIEISA-N 0 3 276.383 1.860 20 5 CDBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCC1 ZINC000348114237 360432056 /nfs/dbraw/zinc/43/20/56/360432056.db2.gz HIRXAGCIKXGKTM-UHFFFAOYSA-N 0 3 294.355 1.869 20 5 CDBDHN CC[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000177807549 189071290 /nfs/dbraw/zinc/07/12/90/189071290.db2.gz HWKPNSTWEWUSHZ-LBPRGKRZSA-N 0 3 279.340 1.893 20 5 CDBDHN COC[C@H](CCO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000219142358 360806489 /nfs/dbraw/zinc/80/64/89/360806489.db2.gz RBYICZMBYQPVCD-NSHDSACASA-N 0 3 284.312 1.090 20 5 CDBDHN CO[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000267611922 361227929 /nfs/dbraw/zinc/22/79/29/361227929.db2.gz BKLSMRIPAMEJOC-JSGCOSHPSA-N 0 3 296.323 1.055 20 5 CDBDHN CCN1CCC(Nc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000037998790 361516245 /nfs/dbraw/zinc/51/62/45/361516245.db2.gz VKQYLADDOSDKAZ-UHFFFAOYSA-N 0 3 267.333 1.533 20 5 CDBDHN C[C@H]1C[C@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340914504 363946494 /nfs/dbraw/zinc/94/64/94/363946494.db2.gz RWSAKWUNSXXSCG-AAEUAGOBSA-N 0 3 280.324 1.819 20 5 CDBDHN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270871994 366940032 /nfs/dbraw/zinc/94/00/32/366940032.db2.gz JIBJUMBNILWFCC-DGCLKSJQSA-N 0 3 250.298 1.798 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272539888 367751003 /nfs/dbraw/zinc/75/10/03/367751003.db2.gz XTJAQWSYXXMTKM-SECBINFHSA-N 0 3 278.312 1.001 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@@H]1CCCN1C ZINC000420635830 244300740 /nfs/dbraw/zinc/30/07/40/244300740.db2.gz MLDYAEHNXUTGCM-NSHDSACASA-N 0 3 281.360 1.650 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCN1C ZINC000330898251 203368176 /nfs/dbraw/zinc/36/81/76/203368176.db2.gz IBTXZQBZDOINAY-BDAKNGLRSA-N 0 3 266.301 1.135 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170914182 372025509 /nfs/dbraw/zinc/02/55/09/372025509.db2.gz MCILQCANJNDOOT-MRVPVSSYSA-N 0 3 269.326 1.338 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2CO)c1 ZINC000269638120 373241642 /nfs/dbraw/zinc/24/16/42/373241642.db2.gz IECOTFYYDJRBAZ-QWHCGFSZSA-N 0 3 266.297 1.085 20 5 CDBDHN C[C@@H](CN(C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000168983347 373852015 /nfs/dbraw/zinc/85/20/15/373852015.db2.gz DYWBUMPJNMBZBQ-QMMMGPOBSA-N 0 3 266.301 1.056 20 5 CDBDHN CCN(CCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000266594441 374179252 /nfs/dbraw/zinc/17/92/52/374179252.db2.gz VAPYFLUJIPYESG-UHFFFAOYSA-N 0 3 268.313 1.678 20 5 CDBDHN O=C1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCCN12 ZINC000313798908 374359789 /nfs/dbraw/zinc/35/97/89/374359789.db2.gz LJCNQRHMELAMOS-KBPBESRZSA-N 0 3 289.335 1.838 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC(n3cccn3)CC2)c1 ZINC000370001489 374374051 /nfs/dbraw/zinc/37/40/51/374374051.db2.gz IHVYYMDOZKRMPO-UHFFFAOYSA-N 0 3 290.327 1.325 20 5 CDBDHN N[C@@H]1C[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000424199421 246384520 /nfs/dbraw/zinc/38/45/20/246384520.db2.gz YRUUGPALKYQFEP-QWHCGFSZSA-N 0 3 275.308 1.433 20 5 CDBDHN Cc1ccc(CN[C@@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447968769 374728016 /nfs/dbraw/zinc/72/80/16/374728016.db2.gz RUMWOOKKIILYHD-GXTWGEPZSA-N 0 3 280.324 1.533 20 5 CDBDHN CCOCCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000093311918 374741179 /nfs/dbraw/zinc/74/11/79/374741179.db2.gz OOTDWUWJOVXZDQ-CYBMUJFWSA-N 0 3 298.339 1.303 20 5 CDBDHN CC1=C(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000280488708 374998242 /nfs/dbraw/zinc/99/82/42/374998242.db2.gz BAIQFYAOXPAZQH-ZDUSSCGKSA-N 0 3 280.328 1.194 20 5 CDBDHN CCOCC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282495910 375090427 /nfs/dbraw/zinc/09/04/27/375090427.db2.gz QIJXPJFZPYRWPS-OAHLLOKOSA-N 0 3 296.367 1.857 20 5 CDBDHN CNC(=O)CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000228484473 375767309 /nfs/dbraw/zinc/76/73/09/375767309.db2.gz NGYCDWNQJHPSJL-UHFFFAOYSA-N 0 3 288.307 1.999 20 5 CDBDHN CNc1ccc(C(=O)NCCN(C)C2CC2)cc1[N+](=O)[O-] ZINC000058954762 375848905 /nfs/dbraw/zinc/84/89/05/375848905.db2.gz GKJGOVXNSGFZPJ-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN O=C(NC[C@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000347385059 376072796 /nfs/dbraw/zinc/07/27/96/376072796.db2.gz ZMFNBVAGOMOXBK-LLVKDONJSA-N 0 3 292.339 1.670 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CC2CCC1CC2 ZINC000433057071 247978679 /nfs/dbraw/zinc/97/86/79/247978679.db2.gz KBMDHLVKPINWDE-VQXHTEKXSA-N 0 3 264.329 1.997 20 5 CDBDHN Cc1c(NC(=O)CNC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000232742122 377407947 /nfs/dbraw/zinc/40/79/47/377407947.db2.gz BGSWDOSOGLZHNJ-NSHDSACASA-N 0 3 293.323 1.610 20 5 CDBDHN COc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129553712 377718330 /nfs/dbraw/zinc/71/83/30/377718330.db2.gz MJEAXRNQAKFHIU-QWHCGFSZSA-N 0 3 280.324 1.852 20 5 CDBDHN C[C@H]1[C@H](CO)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000385671947 377844513 /nfs/dbraw/zinc/84/45/13/377844513.db2.gz HPXUCFDNXBFCGN-JQWIXIFHSA-N 0 3 250.298 1.798 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2CCCO)n1 ZINC000450597189 251357527 /nfs/dbraw/zinc/35/75/27/251357527.db2.gz OUXCTRZGHDYJNE-LBPRGKRZSA-N 0 3 294.355 1.557 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491863465 253107085 /nfs/dbraw/zinc/10/70/85/253107085.db2.gz CJGZBZJBSVTGHS-HSBSLETESA-N 0 3 289.335 1.818 20 5 CDBDHN CC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1OC)N(C)C ZINC000157618836 390188095 /nfs/dbraw/zinc/18/80/95/390188095.db2.gz MBIKKSYCSSSWBA-GFCCVEGCSA-N 0 3 295.339 1.560 20 5 CDBDHN Cc1nc(N(C)C[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000420636325 390588571 /nfs/dbraw/zinc/58/85/71/390588571.db2.gz NAZXOKKVXOAHEV-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451479235 390625636 /nfs/dbraw/zinc/62/56/36/390625636.db2.gz MIJPZOGGYMARRD-JLLWLGSASA-N 0 3 294.355 1.622 20 5 CDBDHN CC[C@@]1(CO)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000187581412 390859051 /nfs/dbraw/zinc/85/90/51/390859051.db2.gz CJDOAODOYIVGCW-CYBMUJFWSA-N 0 3 282.344 1.276 20 5 CDBDHN CN1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413114715 391161254 /nfs/dbraw/zinc/16/12/54/391161254.db2.gz FHZKZAZQBWGEMP-QMMMGPOBSA-N 0 3 254.265 1.493 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCNC[C@@H]1C(F)F ZINC000518535144 391190972 /nfs/dbraw/zinc/19/09/72/391190972.db2.gz YUXKIRSTFLNYFH-GFCCVEGCSA-N 0 3 285.294 1.942 20 5 CDBDHN C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000412395519 391281948 /nfs/dbraw/zinc/28/19/48/391281948.db2.gz SCRLHIODVQGIBA-NSHDSACASA-N 0 3 293.367 1.939 20 5 CDBDHN CCOC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000268973552 391476413 /nfs/dbraw/zinc/47/64/13/391476413.db2.gz INSZDWGWWQRORQ-YPMHNXCESA-N 0 3 282.340 1.951 20 5 CDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000184796224 391750975 /nfs/dbraw/zinc/75/09/75/391750975.db2.gz NMOAFCIQMBZVPA-RYUDHWBXSA-N 0 3 277.324 1.729 20 5 CDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000191733029 130290043 /nfs/dbraw/zinc/29/00/43/130290043.db2.gz DDOBPDXNGPJMIM-PWSUYJOCSA-N 0 3 250.298 1.655 20 5 CDBDHN C[C@@H]1[C@@H](CO)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000488790028 392728003 /nfs/dbraw/zinc/72/80/03/392728003.db2.gz WCJIFOSCRSGLIR-VXGBXAGGSA-N 0 3 280.324 1.676 20 5 CDBDHN CCC[C@@H](O)[C@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000419804400 392897838 /nfs/dbraw/zinc/89/78/38/392897838.db2.gz DALXGDFQPYVECV-QWHCGFSZSA-N 0 3 268.313 1.206 20 5 CDBDHN CCC[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269144883 132119891 /nfs/dbraw/zinc/11/98/91/132119891.db2.gz ZTRDZOHCKOUDCT-LLVKDONJSA-N 0 3 285.731 1.992 20 5 CDBDHN CN1CC[C@H]2CCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000272190777 393013332 /nfs/dbraw/zinc/01/33/32/393013332.db2.gz MHOYBHZSEGEQHT-JQWIXIFHSA-N 0 3 262.313 1.520 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H](O)C1 ZINC000351943446 393207459 /nfs/dbraw/zinc/20/74/59/393207459.db2.gz GEPWLQBVVBACJQ-BREBYQMCSA-N 0 3 250.298 1.968 20 5 CDBDHN C[C@@H](NC[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000224472633 140174046 /nfs/dbraw/zinc/17/40/46/140174046.db2.gz CMYPPVYYOJQTDB-XCBNKYQSSA-N 0 3 260.240 1.871 20 5 CDBDHN Cc1c(CNC(=O)C2(N)CCCC2)cccc1[N+](=O)[O-] ZINC000231855966 140220113 /nfs/dbraw/zinc/22/01/13/140220113.db2.gz NANPEBHUILZKLU-UHFFFAOYSA-N 0 3 277.324 1.791 20 5 CDBDHN C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N(C)C ZINC000286107426 397757776 /nfs/dbraw/zinc/75/77/76/397757776.db2.gz LLQHITHBISLWFT-SSDOTTSWSA-N 0 3 281.341 1.962 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](C)C1 ZINC000343082023 152025160 /nfs/dbraw/zinc/02/51/60/152025160.db2.gz WBZLLASSTRUARF-GHMZBOCLSA-N 0 3 294.355 1.773 20 5 CDBDHN CCc1nn(C)c(N[C@H]2CCCN(C)[C@@H]2C)c1[N+](=O)[O-] ZINC000343604885 152241136 /nfs/dbraw/zinc/24/11/36/152241136.db2.gz NYINBAOQLJUXJO-KOLCDFICSA-N 0 3 281.360 1.785 20 5 CDBDHN Cc1c(NC(=O)CCOC2CNC2)cccc1[N+](=O)[O-] ZINC000349029355 154033901 /nfs/dbraw/zinc/03/39/01/154033901.db2.gz QOLWJELGBBMABP-UHFFFAOYSA-N 0 3 279.296 1.220 20 5 CDBDHN CCOc1ccc([C@H](C)N[C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000349243390 154073157 /nfs/dbraw/zinc/07/31/57/154073157.db2.gz BWETXKMRWGIZLX-ZJUUUORDSA-N 0 3 295.339 1.908 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCc2cnccn2)c(F)c1 ZINC000350244907 154353968 /nfs/dbraw/zinc/35/39/68/154353968.db2.gz HDUOCVKTYVMUMC-UHFFFAOYSA-N 0 3 276.271 1.856 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359809531 158385257 /nfs/dbraw/zinc/38/52/57/158385257.db2.gz OJKXYOLOGFPVFW-CQSZACIVSA-N 0 3 296.323 1.057 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CO)C(C)C ZINC000362183570 159093016 /nfs/dbraw/zinc/09/30/16/159093016.db2.gz SKYBCJQPSMFEIC-LLVKDONJSA-N 0 3 295.339 1.448 20 5 CDBDHN C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083127 174092716 /nfs/dbraw/zinc/09/27/16/174092716.db2.gz CADCGNUADFRKET-QWRGUYRKSA-N 0 3 298.364 1.680 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070079124 260151467 /nfs/dbraw/zinc/15/14/67/260151467.db2.gz WKAIVEBDCJGETJ-VIFPVBQESA-N 0 3 297.742 1.930 20 5 CDBDHN Cc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000037894997 270224684 /nfs/dbraw/zinc/22/46/84/270224684.db2.gz DALROYPTCFZWJD-CQSZACIVSA-N 0 3 290.323 1.250 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000521101449 270546294 /nfs/dbraw/zinc/54/62/94/270546294.db2.gz LFTIQGQJENERDJ-RYUDHWBXSA-N 0 3 293.371 1.650 20 5 CDBDHN COC[C@@H](CCO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447541588 274042697 /nfs/dbraw/zinc/04/26/97/274042697.db2.gz MZXFBXVYMXGTCF-DOMZBBRYSA-N 0 3 294.351 1.959 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1COCCO1)CCC2 ZINC000447533420 275038317 /nfs/dbraw/zinc/03/83/17/275038317.db2.gz RJNILEZTGARVJH-UKRRQHHQSA-N 0 3 292.335 1.977 20 5 CDBDHN C[C@H](NC[C@@]1(C)CCC(=O)N1)c1ccc([N+](=O)[O-])cc1 ZINC000453418673 278262748 /nfs/dbraw/zinc/26/27/48/278262748.db2.gz YQIRXOGIQVWHKN-IINYFYTJSA-N 0 3 277.324 1.914 20 5 CDBDHN O=C(COc1ccccc1[N+](=O)[O-])NCCN1CCCC1 ZINC000052851462 279182412 /nfs/dbraw/zinc/18/24/12/279182412.db2.gz KFTRAYTXCBUHCH-UHFFFAOYSA-N 0 3 293.323 1.186 20 5 CDBDHN CC1(C)[C@@H](O)C[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000129630610 279610275 /nfs/dbraw/zinc/61/02/75/279610275.db2.gz VZHAZAIIMJFTCP-STQMWFEESA-N 0 3 280.324 1.723 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000262849323 280050198 /nfs/dbraw/zinc/05/01/98/280050198.db2.gz ZECQFTMSRZWJDW-RKDXNWHRSA-N 0 3 281.287 1.556 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CCN1C ZINC000226775133 280102115 /nfs/dbraw/zinc/10/21/15/280102115.db2.gz QGPLRCWKRCOMGW-SFYZADRCSA-N 0 3 256.331 1.946 20 5 CDBDHN CC(C)(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000551981887 290036341 /nfs/dbraw/zinc/03/63/41/290036341.db2.gz RGODCTFQNPZOMF-UHFFFAOYSA-N 0 3 295.343 1.264 20 5 CDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(C)CC1 ZINC000153030348 521793692 /nfs/dbraw/zinc/79/36/92/521793692.db2.gz QJDJKWMKTSOSDJ-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN Cc1ccc(CNCCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000034994580 524574890 /nfs/dbraw/zinc/57/48/90/524574890.db2.gz QYEWCYJHIWPVAQ-UHFFFAOYSA-N 0 3 293.367 1.715 20 5 CDBDHN C[C@@H](NC[C@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803092 525506545 /nfs/dbraw/zinc/50/65/45/525506545.db2.gz DMCHJNBQTLJVMV-DOMZBBRYSA-N 0 3 292.383 1.491 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CCO)C1CC1 ZINC000741258539 575000299 /nfs/dbraw/zinc/00/02/99/575000299.db2.gz NTFOLRHEMDBQAO-LBPRGKRZSA-N 0 3 250.298 1.845 20 5 CDBDHN CN(C)C[C@H](O)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000732566128 575091404 /nfs/dbraw/zinc/09/14/04/575091404.db2.gz BMNJGBOVYCODPF-SNVBAGLBSA-N 0 3 290.323 1.477 20 5 CDBDHN Cc1ccc(OC(=O)C2CCN(C)C2=O)cc1[N+](=O)[O-] ZINC000774242755 575191239 /nfs/dbraw/zinc/19/12/39/575191239.db2.gz FEFCZTOKHVNPBM-SNVBAGLBSA-N 0 3 278.264 1.287 20 5 CDBDHN CN(C)C1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000762980494 576698678 /nfs/dbraw/zinc/69/86/78/576698678.db2.gz YXBYOPXZYXAQMF-UHFFFAOYSA-N 0 3 277.324 1.695 20 5 CDBDHN CN(C)CCN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000773110301 575783657 /nfs/dbraw/zinc/78/36/57/575783657.db2.gz IPSWDGIGACTARM-UHFFFAOYSA-N 0 3 292.339 1.343 20 5 CDBDHN COC[C@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749650087 576956651 /nfs/dbraw/zinc/95/66/51/576956651.db2.gz ZHBBJUZVTHFMLS-CABZTGNLSA-N 0 3 254.286 1.253 20 5 CDBDHN CN(C)CC1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000924093797 617415891 /nfs/dbraw/zinc/41/58/91/617415891.db2.gz WMJJMDMJHVFIHI-UHFFFAOYSA-N 0 3 278.268 1.831 20 5 CDBDHN CCOC(=O)N(C)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000893047489 618098694 /nfs/dbraw/zinc/09/86/94/618098694.db2.gz LXNAKCPDNOUJAX-SECBINFHSA-N 0 3 276.289 1.063 20 5 CDBDHN O=C1NCCC[C@H]1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894867702 619110085 /nfs/dbraw/zinc/11/00/85/619110085.db2.gz WOVYZKAETRHJRZ-JTQLQIEISA-N 0 3 297.742 1.864 20 5 CDBDHN Cc1c(CNC[C@H]2COCO2)cccc1[N+](=O)[O-] ZINC000894888988 619124337 /nfs/dbraw/zinc/12/43/37/619124337.db2.gz MSRYQATUECJGKA-NSHDSACASA-N 0 3 252.270 1.366 20 5 CDBDHN COc1c(O)ccc(CN[C@H]2COC[C@@H]2C)c1[N+](=O)[O-] ZINC000896733876 620216930 /nfs/dbraw/zinc/21/69/30/620216930.db2.gz SRPCRIYXCDTRSS-WPRPVWTQSA-N 0 3 282.296 1.434 20 5 CDBDHN CC[C@H](CNCC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905271375 626727546 /nfs/dbraw/zinc/72/75/46/626727546.db2.gz CAJRLRLGLARQIQ-SECBINFHSA-N 0 3 261.322 1.156 20 5 CDBDHN CCN1CCN(c2ccc(NCC[N+](=O)[O-])c(C)c2)CC1 ZINC000905301724 626755285 /nfs/dbraw/zinc/75/52/85/626755285.db2.gz RTOSKNRRZSNZNW-UHFFFAOYSA-N 0 3 292.383 1.826 20 5 CDBDHN O=[N+]([O-])CCNC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000905366741 626785760 /nfs/dbraw/zinc/78/57/60/626785760.db2.gz HRIGZANCORMCJG-SECBINFHSA-N 0 3 292.257 1.121 20 5 CDBDHN CSCC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912182854 629834411 /nfs/dbraw/zinc/83/44/11/629834411.db2.gz JMFQJDCMPKWHCZ-LLVKDONJSA-N 0 3 295.364 1.564 20 5 CDBDHN CC(=O)NCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881424 705733577 /nfs/dbraw/zinc/73/35/77/705733577.db2.gz ZOYMKGONLPLSFM-AMIZOPFISA-N 0 3 298.270 1.211 20 5 CDBDHN CCCNC(=O)c1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813102054 705805827 /nfs/dbraw/zinc/80/58/27/705805827.db2.gz AHTWZAHKQHFYCK-JTQLQIEISA-N 0 3 294.307 1.648 20 5 CDBDHN CC1(C)CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000790452572 705874400 /nfs/dbraw/zinc/87/44/00/705874400.db2.gz QXIFYILETMBJJI-QWHCGFSZSA-N 0 3 280.324 1.331 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCO[C@H]2CCOC2)c1 ZINC000724999934 709832026 /nfs/dbraw/zinc/83/20/26/709832026.db2.gz UZYNMDJTQKXMPO-ZDUSSCGKSA-N 0 3 266.297 1.490 20 5 CDBDHN CC(COC(=O)C1(C(F)(F)F)CCC1)[N+](=O)[O-] ZINC000835455725 710316613 /nfs/dbraw/zinc/31/66/13/710316613.db2.gz OJUWCLFLYUAOBS-ZCFIWIBFSA-N 0 3 255.192 1.927 20 5 CDBDHN CC(COC(=O)c1ccccc1-n1cccn1)[N+](=O)[O-] ZINC000813102833 710396192 /nfs/dbraw/zinc/39/61/92/710396192.db2.gz JVVPSNSKQJIGSS-JTQLQIEISA-N 0 3 275.264 1.694 20 5 CDBDHN Cc1cccc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])nn2)c1 ZINC000813114864 710407883 /nfs/dbraw/zinc/40/78/83/710407883.db2.gz HWLKOXUWLCFBMN-SNVBAGLBSA-N 0 3 290.279 1.398 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(CCO)CC2)cc1 ZINC000776581956 710576989 /nfs/dbraw/zinc/57/69/89/710576989.db2.gz JUAKNWAPSXKWJZ-OAHLLOKOSA-N 0 3 294.351 1.723 20 5 CDBDHN CCc1nncn1CCNCc1cccc([N+](=O)[O-])c1C ZINC000873064752 710584599 /nfs/dbraw/zinc/58/45/99/710584599.db2.gz HMCTVGLZZZIGBH-UHFFFAOYSA-N 0 3 289.339 1.847 20 5 CDBDHN CC(COC(=O)c1cnc(N(C)C)c(Cl)c1)[N+](=O)[O-] ZINC000847713799 710664221 /nfs/dbraw/zinc/66/42/21/710664221.db2.gz CDXDONKBYNMHGL-ZETCQYMHSA-N 0 3 287.703 1.623 20 5 CDBDHN CC(COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[N+](=O)[O-] ZINC000860777360 711366145 /nfs/dbraw/zinc/36/61/45/711366145.db2.gz OEXMMCRAKIVMOC-AQUOVQTQSA-N 0 3 285.296 1.317 20 5 CDBDHN CC(COC(=O)c1cccc(C(F)(F)F)n1)[N+](=O)[O-] ZINC000835454407 711429022 /nfs/dbraw/zinc/42/90/22/711429022.db2.gz JJPFDTJKYSLERH-ZCFIWIBFSA-N 0 3 278.186 1.922 20 5 CDBDHN COC[C@H](NCc1cccnc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886918188 711450818 /nfs/dbraw/zinc/45/08/18/711450818.db2.gz TZLFDHMJEXTXRT-STQMWFEESA-N 0 3 295.339 1.521 20 5 CDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813108630 711538610 /nfs/dbraw/zinc/53/86/10/711538610.db2.gz IWHYBLGRLJVIEU-ZETCQYMHSA-N 0 3 284.224 1.425 20 5 CDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000776582229 711766803 /nfs/dbraw/zinc/76/68/03/711766803.db2.gz MQTBNZMVRAEEBA-STQMWFEESA-N 0 3 266.297 1.349 20 5 CDBDHN COc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000851035875 711830168 /nfs/dbraw/zinc/83/01/68/711830168.db2.gz BYYKXFMRGCHEHD-QMMMGPOBSA-N 0 3 253.254 1.826 20 5 CDBDHN CC(=O)N[C@@H]1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173229889 912319537 /nfs/dbraw/zinc/31/95/37/912319537.db2.gz BNYQIBIQZNHWQG-BXUZGUMPSA-N 0 3 291.351 1.736 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3cccnc3)CC2)C1 ZINC001169011092 927618147 /nfs/dbraw/zinc/61/81/47/927618147.db2.gz IGRFTIADUFBNGU-KGLIPLIRSA-N 0 3 290.367 1.649 20 5 CDBDHN COc1cc([N+](=O)[O-])c(-n2ccc([C@@H](C)N)n2)cc1F ZINC001169232224 927842696 /nfs/dbraw/zinc/84/26/96/927842696.db2.gz BBQFARMLYLFJJS-SSDOTTSWSA-N 0 3 280.259 1.948 20 5 CDBDHN C[C@H](N)c1ccn(-c2ccc(N(C)C)cc2[N+](=O)[O-])n1 ZINC001169232253 927846210 /nfs/dbraw/zinc/84/62/10/927846210.db2.gz BVRNKZUNNAXQSM-VIFPVBQESA-N 0 3 275.312 1.866 20 5 CDBDHN NCc1cn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)cn1 ZINC001154908699 937602821 /nfs/dbraw/zinc/60/28/21/937602821.db2.gz FTHPRUZITULWIM-UHFFFAOYSA-N 0 3 258.241 1.116 20 5 CDBDHN NCc1ccnn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001155124778 937638298 /nfs/dbraw/zinc/63/82/98/937638298.db2.gz MOSWMUXFKAGVJL-UHFFFAOYSA-N 0 3 258.241 1.116 20 5 CDBDHN NCc1ccnn1-c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001155125179 937638975 /nfs/dbraw/zinc/63/89/75/937638975.db2.gz KXAVICTVZDZDHP-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CC(C)N1CC[C@@H](Oc2cc[n+]([O-])cc2[N+](=O)[O-])C1 ZINC001229451988 942476841 /nfs/dbraw/zinc/47/68/41/942476841.db2.gz LOSVGGGERQSBGG-SNVBAGLBSA-N 0 3 267.285 1.090 20 5 CDBDHN CCN1CCC[C@@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857489 943674389 /nfs/dbraw/zinc/67/43/89/943674389.db2.gz NAPCHQFIVGCCQM-LLVKDONJSA-N 0 3 251.286 1.853 20 5 CDBDHN CC(C)NC(=O)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571790 947530617 /nfs/dbraw/zinc/53/06/17/947530617.db2.gz BUYDOVFTKUYMBR-LBPRGKRZSA-N 0 3 277.324 1.176 20 5 CDBDHN Cn1cc([N+](=O)[O-])c(NC2CCN(C3CC3)CC2)n1 ZINC001306924471 956349038 /nfs/dbraw/zinc/34/90/38/956349038.db2.gz FGSHYBPZILLCRN-UHFFFAOYSA-N 0 3 265.317 1.367 20 5 CDBDHN COCc1nnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC001308854773 956589113 /nfs/dbraw/zinc/58/91/13/956589113.db2.gz PSFIIKLDNYAWDC-UHFFFAOYSA-N 0 3 291.311 1.192 20 5 CDBDHN CC[C@@H](N[C@@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601291028 342549646 /nfs/dbraw/zinc/54/96/46/342549646.db2.gz DYQHDAGOIQMETC-UPJWGTAASA-N 0 3 266.297 1.395 20 5 CDBDHN O=[N+]([O-])c1ccc(NCCN2CC[C@H](O)C2)cc1 ZINC000599202604 343980851 /nfs/dbraw/zinc/98/08/51/343980851.db2.gz QYMAZQAKGATCOK-LBPRGKRZSA-N 0 3 251.286 1.073 20 5 CDBDHN COCCOC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000234732836 342046915 /nfs/dbraw/zinc/04/69/15/342046915.db2.gz YKKHIZZJTQDWOF-ZDUSSCGKSA-N 0 3 298.339 1.017 20 5 CDBDHN COC[C@H](C)OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000234841292 342047479 /nfs/dbraw/zinc/04/74/79/342047479.db2.gz SGEFOXGNHLWPDI-SMDDNHRTSA-N 0 3 298.339 1.097 20 5 CDBDHN CC(C)NC(=O)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000036781777 342618219 /nfs/dbraw/zinc/61/82/19/342618219.db2.gz CRWFGMUYLBHPDU-UHFFFAOYSA-N 0 3 265.313 1.252 20 5 CDBDHN CC1(C)CN[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000591672220 342641369 /nfs/dbraw/zinc/64/13/69/342641369.db2.gz CUSPUOCZXAKJNS-GFCCVEGCSA-N 0 3 293.323 1.088 20 5 CDBDHN C[C@H](CC[S@@](C)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000125533672 187190084 /nfs/dbraw/zinc/19/00/84/187190084.db2.gz ACLVHKNKBCKLRA-MGNBDDOMSA-N 0 3 270.354 1.842 20 5 CDBDHN CC(C)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])N(C)C ZINC000125578564 187191728 /nfs/dbraw/zinc/19/17/28/187191728.db2.gz WUGUOVXCJBBSMU-CYBMUJFWSA-N 0 3 279.340 1.797 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCO ZINC000595006134 342989259 /nfs/dbraw/zinc/98/92/59/342989259.db2.gz HXASBMWPWPQVCW-SECBINFHSA-N 0 3 254.286 1.636 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000457209949 365708158 /nfs/dbraw/zinc/70/81/58/365708158.db2.gz PLJAWVUYLICNMF-UHFFFAOYSA-N 0 3 283.303 1.804 20 5 CDBDHN CC[C@H](NC)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595930916 343184422 /nfs/dbraw/zinc/18/44/22/343184422.db2.gz RVFNRDGAYXTKGB-VIFPVBQESA-N 0 3 251.286 1.840 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCOC[C@H]1O ZINC000599080048 343956639 /nfs/dbraw/zinc/95/66/39/343956639.db2.gz JJPNTXJIOPSAOW-OUCADQQQSA-N 0 3 278.308 1.322 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC=CCC1 ZINC000612121911 347031457 /nfs/dbraw/zinc/03/14/57/347031457.db2.gz SYGIZLJQXUDRBZ-GFCCVEGCSA-N 0 3 278.308 1.596 20 5 CDBDHN CO[C@]1(CN(C)CCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000602658093 344518852 /nfs/dbraw/zinc/51/88/52/344518852.db2.gz JBJCZHYCUKWRQO-HNNXBMFYSA-N 0 3 294.351 1.875 20 5 CDBDHN Cc1cc(C(=O)NC[C@@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000033092965 345441174 /nfs/dbraw/zinc/44/11/74/345441174.db2.gz HVWGBRCWNJVECL-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN CN1CCC(O)(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000265862858 362619621 /nfs/dbraw/zinc/61/96/21/362619621.db2.gz KKAKGWHDXYXHQW-UHFFFAOYSA-N 0 3 285.369 1.203 20 5 CDBDHN C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086467313 179296948 /nfs/dbraw/zinc/29/69/48/179296948.db2.gz BJDSNBBMQMHUGV-BRQSLIGTSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000056240463 348814843 /nfs/dbraw/zinc/81/48/43/348814843.db2.gz HMIOTLKDPACFRN-WDEREUQCSA-N 0 3 294.355 1.773 20 5 CDBDHN COC[C@@](C)(O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000069911837 349110780 /nfs/dbraw/zinc/11/07/80/349110780.db2.gz GBQNDGRIIXBTTQ-DYLGSBMWSA-N 0 3 280.324 1.595 20 5 CDBDHN COC[C@H](CCO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515669950 362957283 /nfs/dbraw/zinc/95/72/83/362957283.db2.gz FSSJOAGDGMBUHS-GWCFXTLKSA-N 0 3 280.324 1.569 20 5 CDBDHN C[C@@H](NC(=O)NC[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000454353617 252344190 /nfs/dbraw/zinc/34/41/90/252344190.db2.gz CFCMSAIXVXHZGT-WDEREUQCSA-N 0 3 294.355 1.905 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292260968 198221975 /nfs/dbraw/zinc/22/19/75/198221975.db2.gz YNMDCMWJRABHRC-CYBMUJFWSA-N 0 3 280.324 1.475 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000411981068 363392210 /nfs/dbraw/zinc/39/22/10/363392210.db2.gz IJAYEVSXNFKMCA-OLZOCXBDSA-N 0 3 280.324 1.472 20 5 CDBDHN CCC[C@H](N)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000229926546 356313265 /nfs/dbraw/zinc/31/32/65/356313265.db2.gz FTVIKZNZNGXWPT-NSHDSACASA-N 0 3 261.285 1.975 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134654576 356370772 /nfs/dbraw/zinc/37/07/72/356370772.db2.gz BBIBIGNMZZGDAO-SECBINFHSA-N 0 3 297.742 1.930 20 5 CDBDHN COc1ccc(CN[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000120208431 357326114 /nfs/dbraw/zinc/32/61/14/357326114.db2.gz KVERULIPBIDQAC-ZDUSSCGKSA-N 0 3 266.297 1.872 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000360983876 357764461 /nfs/dbraw/zinc/76/44/61/357764461.db2.gz IAKNUUSPMMJORW-ZYHUDNBSSA-N 0 3 295.387 1.896 20 5 CDBDHN CSC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188217815 357861208 /nfs/dbraw/zinc/86/12/08/357861208.db2.gz AEJMJBCGNPJMSR-CABZTGNLSA-N 0 3 270.354 1.969 20 5 CDBDHN C[C@H](NC[C@@]1(O)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294780985 199179127 /nfs/dbraw/zinc/17/91/27/199179127.db2.gz NVDYXMFIOVEEMH-ZANVPECISA-N 0 3 297.380 1.696 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000193580966 358305425 /nfs/dbraw/zinc/30/54/25/358305425.db2.gz WEIVIIZUAMWZGY-ZWNOBZJWSA-N 0 3 293.323 1.088 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015947 359275747 /nfs/dbraw/zinc/27/57/47/359275747.db2.gz ILIACEHECNEWQG-LLVKDONJSA-N 0 3 265.313 1.584 20 5 CDBDHN COC[C@@]1(C)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000296837939 200011443 /nfs/dbraw/zinc/01/14/43/200011443.db2.gz SOECYUQTLYMMEH-CABCVRRESA-N 0 3 294.351 1.987 20 5 CDBDHN CCN(C)C[C@@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000383755616 359611378 /nfs/dbraw/zinc/61/13/78/359611378.db2.gz NKLAXOVLBZIEQP-SNVBAGLBSA-N 0 3 286.303 1.734 20 5 CDBDHN CC(C)OCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000169331689 360322129 /nfs/dbraw/zinc/32/21/29/360322129.db2.gz SGJBWWVOKGQHNY-LBPRGKRZSA-N 0 3 298.339 1.349 20 5 CDBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000177508022 189054796 /nfs/dbraw/zinc/05/47/96/189054796.db2.gz HLSUJSQZUKKSEM-UHFFFAOYSA-N 0 3 270.358 1.619 20 5 CDBDHN Cc1c(NC(=O)NCCN(C)C)cccc1[N+](=O)[O-] ZINC000180604897 189265329 /nfs/dbraw/zinc/26/53/29/189265329.db2.gz BFGMOHMWBFTOKW-UHFFFAOYSA-N 0 3 266.301 1.586 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509254 201036334 /nfs/dbraw/zinc/03/63/34/201036334.db2.gz AVPVWFBOUPCEIW-JQWIXIFHSA-N 0 3 264.329 1.766 20 5 CDBDHN COc1cccc(C(=O)NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000412392919 240191359 /nfs/dbraw/zinc/19/13/59/240191359.db2.gz GOBPSLSCKRFFIO-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CN1C1CC1 ZINC000440930562 367106047 /nfs/dbraw/zinc/10/60/47/367106047.db2.gz ROLARJTZDVRQEH-UWVGGRQHSA-N 0 3 292.339 1.288 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420633506 244299050 /nfs/dbraw/zinc/29/90/50/244299050.db2.gz JIFJOUNSSBGTIM-JTQLQIEISA-N 0 3 292.339 1.224 20 5 CDBDHN NC(=O)CC1(CNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421354975 244661472 /nfs/dbraw/zinc/66/14/72/244661472.db2.gz YDUUNBRYJACOMS-UHFFFAOYSA-N 0 3 263.297 1.340 20 5 CDBDHN C[C@@H](NCCC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000037751832 370055966 /nfs/dbraw/zinc/05/59/66/370055966.db2.gz YUCBBFSMQLEATO-SNVBAGLBSA-N 0 3 265.313 1.724 20 5 CDBDHN CC[C@@H](CO)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000295693995 370571584 /nfs/dbraw/zinc/57/15/84/370571584.db2.gz LXUNHFMTIFFBHZ-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000269635523 373249413 /nfs/dbraw/zinc/24/94/13/373249413.db2.gz HGUFBRHZDGWUIY-BXUZGUMPSA-N 0 3 280.324 1.597 20 5 CDBDHN Cc1c(NC(=O)NC[C@@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000298401738 373518196 /nfs/dbraw/zinc/51/81/96/373518196.db2.gz RKVLROBFESUSSO-SECBINFHSA-N 0 3 280.328 1.975 20 5 CDBDHN CC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272951090 373603924 /nfs/dbraw/zinc/60/39/24/373603924.db2.gz PYHRNCBBXOLKMT-JTQLQIEISA-N 0 3 286.353 1.757 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CSCCN1 ZINC000091135054 373747928 /nfs/dbraw/zinc/74/79/28/373747928.db2.gz MEHHQTDBVWJZIH-SNVBAGLBSA-N 0 3 295.364 1.937 20 5 CDBDHN COc1ccc(CN(C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000429264581 374577225 /nfs/dbraw/zinc/57/72/25/374577225.db2.gz CPRPVEOLFXRBKI-UHFFFAOYSA-N 0 3 280.324 1.950 20 5 CDBDHN CC[C@@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449532959 374817795 /nfs/dbraw/zinc/81/77/95/374817795.db2.gz AUOSSXQWHGQCTK-MWLCHTKSSA-N 0 3 298.339 1.861 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCCN1CCN(C(C)C)CC1 ZINC000331338424 374934554 /nfs/dbraw/zinc/93/45/54/374934554.db2.gz JLOUPIDGPHDBCU-UHFFFAOYSA-N 0 3 295.387 1.516 20 5 CDBDHN COc1ccc(-c2ccc(CNCCO)o2)c([N+](=O)[O-])c1 ZINC000304237213 375418684 /nfs/dbraw/zinc/41/86/84/375418684.db2.gz QJPXGUAKJUMKFP-UHFFFAOYSA-N 0 3 292.291 1.945 20 5 CDBDHN C[C@@H](CC(N)=O)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000344888936 375649350 /nfs/dbraw/zinc/64/93/50/375649350.db2.gz OJPOXGDEEISQGX-OAQKJQOQSA-N 0 3 263.297 1.462 20 5 CDBDHN C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cn2)CCCN1C ZINC000354558233 375725976 /nfs/dbraw/zinc/72/59/76/375725976.db2.gz ASFWUQQBEMYNRY-SCZZXKLOSA-N 0 3 251.290 1.279 20 5 CDBDHN COc1c(C(=O)NC[C@@H]2CCN(C)C2)cccc1[N+](=O)[O-] ZINC000354781890 375750679 /nfs/dbraw/zinc/75/06/79/375750679.db2.gz HQVTVAQVCLOXGB-JTQLQIEISA-N 0 3 293.323 1.285 20 5 CDBDHN C[C@@H]1[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000357075144 375881285 /nfs/dbraw/zinc/88/12/85/375881285.db2.gz VIXIHUIUWQKDOO-CHWSQXEVSA-N 0 3 293.367 1.998 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@]2(CCO)CCOC2)c1 ZINC000278550402 194039139 /nfs/dbraw/zinc/03/91/39/194039139.db2.gz ZBONXJVQZSEVAY-CYBMUJFWSA-N 0 3 266.297 1.226 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCN(C=O)CC1 ZINC000278889913 194198158 /nfs/dbraw/zinc/19/81/58/194198158.db2.gz YMLHMTBTFILVNY-UHFFFAOYSA-N 0 3 293.323 1.314 20 5 CDBDHN Cc1nc(N(C)CCN2CCCC2)ncc1[N+](=O)[O-] ZINC000450314747 251220187 /nfs/dbraw/zinc/22/01/87/251220187.db2.gz NIWHEAMTVGDXFI-UHFFFAOYSA-N 0 3 265.317 1.225 20 5 CDBDHN COc1ccc(CNC(=O)/C=C\CN(C)C)cc1[N+](=O)[O-] ZINC000491903748 253116864 /nfs/dbraw/zinc/11/68/64/253116864.db2.gz IAMXQPWPUIZXIM-PLNGDYQASA-N 0 3 293.323 1.337 20 5 CDBDHN C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1CO ZINC000189725711 130015437 /nfs/dbraw/zinc/01/54/37/130015437.db2.gz WRWNJOPTJRYZSN-ZWNOBZJWSA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192181252 130387873 /nfs/dbraw/zinc/38/78/73/130387873.db2.gz SJECEBLKWGEHSF-SNVBAGLBSA-N 0 3 270.358 1.619 20 5 CDBDHN CC[C@]1(O)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495200007 391906234 /nfs/dbraw/zinc/90/62/34/391906234.db2.gz HITOJMFGEWNVMN-AWEZNQCLSA-N 0 3 280.324 1.820 20 5 CDBDHN CC[C@]1(O)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495209152 391906495 /nfs/dbraw/zinc/90/64/95/391906495.db2.gz AFGXXYQTFPMXPV-ZDUSSCGKSA-N 0 3 250.298 1.942 20 5 CDBDHN CCOc1cccc(N2CCN[C@H](C)C2)c1[N+](=O)[O-] ZINC000122720634 391992862 /nfs/dbraw/zinc/99/28/62/391992862.db2.gz GBKLAXZVSWGCPI-SNVBAGLBSA-N 0 3 265.313 1.792 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)C(C)(C)N)cc1[N+](=O)[O-] ZINC000237541234 131039966 /nfs/dbraw/zinc/03/99/66/131039966.db2.gz WPHYWFWNSJHIFD-VIFPVBQESA-N 0 3 265.313 1.818 20 5 CDBDHN Cc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262735293 131257440 /nfs/dbraw/zinc/25/74/40/131257440.db2.gz CHLLICAQVAZUHA-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C ZINC000262840763 131267183 /nfs/dbraw/zinc/26/71/83/131267183.db2.gz RFRNKBGSPNCRAA-SFYZADRCSA-N 0 3 253.258 1.010 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C)C1 ZINC000449112808 393129243 /nfs/dbraw/zinc/12/92/43/393129243.db2.gz SUQXSYPDVHMRIV-ZYHUDNBSSA-N 0 3 277.324 1.346 20 5 CDBDHN CCN(C)C(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449259862 393132224 /nfs/dbraw/zinc/13/22/24/393132224.db2.gz VJUKAIBDIMKHNM-LLVKDONJSA-N 0 3 279.340 1.594 20 5 CDBDHN Cc1cc(NC(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000193515214 393362775 /nfs/dbraw/zinc/36/27/75/393362775.db2.gz KEOUMUUYHKAJJP-UHFFFAOYSA-N 0 3 266.301 1.586 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180744218 140017306 /nfs/dbraw/zinc/01/73/06/140017306.db2.gz CEBCHGOZJYRNSK-JTQLQIEISA-N 0 3 292.339 1.343 20 5 CDBDHN CN(C)CCOCCNc1ccc([N+](=O)[O-])cc1F ZINC000226738395 140181476 /nfs/dbraw/zinc/18/14/76/140181476.db2.gz DQCJGWKCGNDTMM-UHFFFAOYSA-N 0 3 271.292 1.724 20 5 CDBDHN COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000252854497 140327090 /nfs/dbraw/zinc/32/70/90/140327090.db2.gz HAMHQYIUDNXMHV-SGMGOOAPSA-N 0 3 292.335 1.806 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 ZINC000252883739 140328913 /nfs/dbraw/zinc/32/89/13/140328913.db2.gz VMJBHCXTINQJST-FPMFFAJLSA-N 0 3 262.309 1.798 20 5 CDBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NC1(C(N)=O)CC1 ZINC000191486850 148514471 /nfs/dbraw/zinc/51/44/71/148514471.db2.gz OFBDRKAGNNXWEF-JTQLQIEISA-N 0 3 277.324 1.523 20 5 CDBDHN CCC1(CO)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000305698177 149141573 /nfs/dbraw/zinc/14/15/73/149141573.db2.gz CJUVJHNUCDUHNL-UHFFFAOYSA-N 0 3 282.344 1.276 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCCC[C@H]1C ZINC000343069698 152019680 /nfs/dbraw/zinc/01/96/80/152019680.db2.gz ZYDQRUKXCRJRLX-MNOVXSKESA-N 0 3 294.355 1.916 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000346139217 153068244 /nfs/dbraw/zinc/06/82/44/153068244.db2.gz NXAWNNYQFJZPBL-VIFPVBQESA-N 0 3 290.323 1.756 20 5 CDBDHN COc1cc(C(=O)N[C@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000346228527 153105287 /nfs/dbraw/zinc/10/52/87/153105287.db2.gz REEQAPYYXAEJGQ-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN C[C@H](CO)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349299889 154084591 /nfs/dbraw/zinc/08/45/91/154084591.db2.gz RTOZNFQEENFOJP-JPVGGKMYSA-N 0 3 250.298 1.921 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[C@H](CO)O1 ZINC000353702091 156024619 /nfs/dbraw/zinc/02/46/19/156024619.db2.gz IAKVVIVLBWFMDA-ZIAGYGMSSA-N 0 3 280.324 1.533 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000359025477 158102686 /nfs/dbraw/zinc/10/26/86/158102686.db2.gz DXNQQXMEQRFYBJ-NXEZZACHSA-N 0 3 293.327 1.016 20 5 CDBDHN C[C@H](NCC(C)(C)C(N)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284859066 196145857 /nfs/dbraw/zinc/14/58/57/196145857.db2.gz AMAZWACTMKCEJB-QMMMGPOBSA-N 0 3 280.328 1.339 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCC1(O)CCOCC1 ZINC000285365559 196261782 /nfs/dbraw/zinc/26/17/82/196261782.db2.gz BVRUIFWCSOQJQB-UHFFFAOYSA-N 0 3 280.324 1.616 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038060680 174071671 /nfs/dbraw/zinc/07/16/71/174071671.db2.gz SHMTVRIEENEFSZ-YPMHNXCESA-N 0 3 280.324 1.969 20 5 CDBDHN NC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000044937691 175281654 /nfs/dbraw/zinc/28/16/54/175281654.db2.gz NCRQMFUMGIMGPR-UHFFFAOYSA-N 0 3 293.323 1.171 20 5 CDBDHN C[C@H](C1CC1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078723319 177375756 /nfs/dbraw/zinc/37/57/56/177375756.db2.gz ZUFBBMXSONLZDT-SECBINFHSA-N 0 3 277.324 1.924 20 5 CDBDHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000399016702 270366245 /nfs/dbraw/zinc/36/62/45/270366245.db2.gz GFRZPZPMIIVNRR-TVQRCGJNSA-N 0 3 277.324 1.899 20 5 CDBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)C[C@H]1N(C)C ZINC000271025699 274182532 /nfs/dbraw/zinc/18/25/32/274182532.db2.gz GLCXSXYBEHOPQO-VXGBXAGGSA-N 0 3 296.396 1.780 20 5 CDBDHN C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCN1 ZINC000420209275 274371495 /nfs/dbraw/zinc/37/14/95/274371495.db2.gz ROLIAWRVXNVDEL-SECBINFHSA-N 0 3 273.296 1.336 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](N2CCCC2)C1 ZINC000078571705 274724344 /nfs/dbraw/zinc/72/43/44/274724344.db2.gz GJONRIFMCJTWRZ-LBPRGKRZSA-N 0 3 276.340 1.973 20 5 CDBDHN C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471225 278813451 /nfs/dbraw/zinc/81/34/51/278813451.db2.gz YDGUZZMXFCNKKA-SFYZADRCSA-N 0 3 281.341 1.491 20 5 CDBDHN C[C@@H]1OCC[C@]1(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000227968167 279055309 /nfs/dbraw/zinc/05/53/09/279055309.db2.gz FKWRTYOUMZGVQS-GWCFXTLKSA-N 0 3 266.297 1.224 20 5 CDBDHN C[C@H]1[C@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286492587 280116197 /nfs/dbraw/zinc/11/61/97/280116197.db2.gz RLSDFNLWVCXKQF-VHSXEESVSA-N 0 3 292.343 1.030 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCNCC1 ZINC000422711038 280400228 /nfs/dbraw/zinc/40/02/28/280400228.db2.gz MSNKELLPIOFJPZ-UHFFFAOYSA-N 0 3 277.324 1.647 20 5 CDBDHN Cc1cc(NC2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000073000250 280626123 /nfs/dbraw/zinc/62/61/23/280626123.db2.gz QTPHGULJWUOXNF-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H](C)O ZINC000386957685 323755974 /nfs/dbraw/zinc/75/59/74/323755974.db2.gz YFCOWLVMGDWOTH-RKDXNWHRSA-N 0 3 254.286 1.462 20 5 CDBDHN N[C@@H](CC(F)F)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000312735251 482836449 /nfs/dbraw/zinc/83/64/49/482836449.db2.gz WVOQDJZPYAMCCP-JTQLQIEISA-N 0 3 287.266 1.236 20 5 CDBDHN CC(C)Oc1nc(NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000565783461 517452882 /nfs/dbraw/zinc/45/28/82/517452882.db2.gz AKSRNYXYYZFDGA-UHFFFAOYSA-N 0 3 294.355 1.705 20 5 CDBDHN CC(=O)N1CC[C@H](CN(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000156671494 519625449 /nfs/dbraw/zinc/62/54/49/519625449.db2.gz KOSGUEXSWPAOFT-CYBMUJFWSA-N 0 3 291.351 1.895 20 5 CDBDHN CN(C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000337020861 521796031 /nfs/dbraw/zinc/79/60/31/521796031.db2.gz RBLJPPRNYCOJEE-VIFPVBQESA-N 0 3 286.357 1.208 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000081525819 524095178 /nfs/dbraw/zinc/09/51/78/524095178.db2.gz ZVVQHWCDGKJQBU-LLVKDONJSA-N 0 3 295.339 1.288 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000157350921 524802120 /nfs/dbraw/zinc/80/21/20/524802120.db2.gz BQZBOHNXPVCRQS-UWVGGRQHSA-N 0 3 292.339 1.390 20 5 CDBDHN C[C@@H]1C[C@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000340935285 525453823 /nfs/dbraw/zinc/45/38/23/525453823.db2.gz WVUYNIGECCNQGX-PWSUYJOCSA-N 0 3 266.297 1.429 20 5 CDBDHN O=[N+]([O-])c1c(NC[C@@H]2CNCCO2)ccc2ncccc21 ZINC000157410019 527321880 /nfs/dbraw/zinc/32/18/80/527321880.db2.gz BNVWWQCOIRSCGN-JTQLQIEISA-N 0 3 288.307 1.543 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC(n3cccn3)CC2)n1 ZINC000365845892 527406713 /nfs/dbraw/zinc/40/67/13/527406713.db2.gz WISRJHSIJUOFLS-UHFFFAOYSA-N 0 3 290.327 1.325 20 5 CDBDHN CC(=O)OC[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000893327297 617579396 /nfs/dbraw/zinc/57/93/96/617579396.db2.gz AKNLDJSBBAWZAL-VIFPVBQESA-N 0 3 252.270 1.636 20 5 CDBDHN C[C@@H](CN1CCCCC1)Nc1c([N+](=O)[O-])cnn1C ZINC000891792779 617593072 /nfs/dbraw/zinc/59/30/72/617593072.db2.gz LUFPFAPTKJSYAV-JTQLQIEISA-N 0 3 267.333 1.615 20 5 CDBDHN CC(C)(CCC(=O)N[C@]1(C)CN2CCC1CC2)[N+](=O)[O-] ZINC000892766269 617717636 /nfs/dbraw/zinc/71/76/36/617717636.db2.gz NFWDBBJBYXALOG-CQSZACIVSA-N 0 3 283.372 1.422 20 5 CDBDHN CC(C)(CCC(=O)N[C@@]1(C)CN2CCC1CC2)[N+](=O)[O-] ZINC000892766268 617718389 /nfs/dbraw/zinc/71/83/89/617718389.db2.gz NFWDBBJBYXALOG-AWEZNQCLSA-N 0 3 283.372 1.422 20 5 CDBDHN COc1c(O)ccc(CNC[C@@H]2CC[C@@H](C)O2)c1[N+](=O)[O-] ZINC000894815949 619072111 /nfs/dbraw/zinc/07/21/11/619072111.db2.gz BUAOGNMFFGQGLH-KOLCDFICSA-N 0 3 296.323 1.966 20 5 CDBDHN CCC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[NH2+]1 ZINC000895057560 619242215 /nfs/dbraw/zinc/24/22/15/619242215.db2.gz GBTAKUMYACGOBV-VIFPVBQESA-N 0 3 266.301 1.274 20 5 CDBDHN CCN1CCN(c2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905297618 626725370 /nfs/dbraw/zinc/72/53/70/626725370.db2.gz AQTOMGXYWOHISD-UHFFFAOYSA-N 0 3 278.356 1.517 20 5 CDBDHN C[C@@H](CNCC[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000905404500 626798398 /nfs/dbraw/zinc/79/83/98/626798398.db2.gz KNQDNWMDPMBCBS-JTQLQIEISA-N 0 3 286.353 1.060 20 5 CDBDHN O=[N+]([O-])CCNC[C@@H](CO)c1ccc(Cl)cc1 ZINC000905415744 626804487 /nfs/dbraw/zinc/80/44/87/626804487.db2.gz OMINBPKAJFZALX-JTQLQIEISA-N 0 3 258.705 1.282 20 5 CDBDHN CN1CC(CNc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001170251898 1162325351 /nfs/dbraw/zinc/32/53/51/1162325351.db2.gz FRNLQUOJAMXUIO-UHFFFAOYSA-N 0 3 291.286 1.651 20 5 CDBDHN CNC(=O)[C@H](C)N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170315863 1162335795 /nfs/dbraw/zinc/33/57/95/1162335795.db2.gz YTGDJXMSICNKPC-UWVGGRQHSA-N 0 3 295.339 1.259 20 5 CDBDHN Cc1onc(-c2ccccn2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107768 1163814435 /nfs/dbraw/zinc/81/44/35/1163814435.db2.gz VZFIGCHUROEGRW-QMMMGPOBSA-N 0 3 291.263 1.867 20 5 CDBDHN CC(COC(=O)c1cc(F)ccc1-n1cccn1)[N+](=O)[O-] ZINC000813113078 1163815470 /nfs/dbraw/zinc/81/54/70/1163815470.db2.gz AFKMPGFDMAWEHF-SECBINFHSA-N 0 3 293.254 1.833 20 5 CDBDHN CN(C)CCONC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820989824 711967983 /nfs/dbraw/zinc/96/79/83/711967983.db2.gz BUWITVRYOLMBBF-QWHCGFSZSA-N 0 3 293.323 1.308 20 5 CDBDHN C[C@@H](NC(=O)N(C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000925236578 712152813 /nfs/dbraw/zinc/15/28/13/712152813.db2.gz GKOFDWCVXNHGPJ-LLVKDONJSA-N 0 3 294.355 1.859 20 5 CDBDHN CC(COC(=O)c1cnn(C)c1-n1cccc1)[N+](=O)[O-] ZINC000813106525 712167355 /nfs/dbraw/zinc/16/73/55/712167355.db2.gz DYAOAWKNKJTUNO-VIFPVBQESA-N 0 3 278.268 1.033 20 5 CDBDHN CC(COC(=O)c1cccc2nccnc21)[N+](=O)[O-] ZINC000813102335 712251297 /nfs/dbraw/zinc/25/12/97/712251297.db2.gz DUKJLFJBDJOFPD-MRVPVSSYSA-N 0 3 261.237 1.452 20 5 CDBDHN CCN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776276886 712307206 /nfs/dbraw/zinc/30/72/06/712307206.db2.gz KZPSQSBGVMEPHZ-WFASDCNBSA-N 0 3 293.367 1.654 20 5 CDBDHN CC1(C)CNC(=O)[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000925383064 712470132 /nfs/dbraw/zinc/47/01/32/712470132.db2.gz QPKKGNKWGDQCMX-LBPRGKRZSA-N 0 3 293.323 1.088 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cc[nH]c1 ZINC001127896892 918966405 /nfs/dbraw/zinc/96/64/05/918966405.db2.gz JJXWESIBJAZNAU-UHFFFAOYSA-N 0 3 288.307 1.443 20 5 CDBDHN COc1cc([N+](=O)[O-])c(-n2nccc2CN)cc1F ZINC001162593844 922793755 /nfs/dbraw/zinc/79/37/55/922793755.db2.gz RORASTYWLOKCJQ-UHFFFAOYSA-N 0 3 266.232 1.387 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ncc(F)cc2F)C1 ZINC001168977488 927564126 /nfs/dbraw/zinc/56/41/26/927564126.db2.gz KFTFTTXLUKKOHE-WCBMZHEXSA-N 0 3 271.267 1.895 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ccccn3)CC2)C1 ZINC001169009871 927613275 /nfs/dbraw/zinc/61/32/75/927613275.db2.gz YPACDYVNLRHSCB-KBPBESRZSA-N 0 3 290.367 1.649 20 5 CDBDHN COC(=O)[C@H](C)CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579243 927754090 /nfs/dbraw/zinc/75/40/90/927754090.db2.gz KGBNIQBQIZFRTI-ZWNOBZJWSA-N 0 3 296.323 1.369 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1N[C@H]1CCCOC1)CNC2 ZINC001169665422 928313969 /nfs/dbraw/zinc/31/39/69/928313969.db2.gz CCIVSSOOFHMEMD-NSHDSACASA-N 0 3 263.297 1.789 20 5 CDBDHN CC[C@H]1CN(CC)CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886234602 930833882 /nfs/dbraw/zinc/83/38/82/930833882.db2.gz QYDCOYAPMHXVQC-ZDUSSCGKSA-N 0 3 278.356 1.906 20 5 CDBDHN COC1([C@@H](C)NCc2cccnc2[N+](=O)[O-])CCOCC1 ZINC000886252085 930839388 /nfs/dbraw/zinc/83/93/88/930839388.db2.gz SNXAQDHBLSUUJQ-LLVKDONJSA-N 0 3 295.339 1.664 20 5 CDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000796201208 934983243 /nfs/dbraw/zinc/98/32/43/934983243.db2.gz GCZPHOHFAJUSPM-KBPBESRZSA-N 0 3 280.324 1.739 20 5 CDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1Nc1ccc(CN)nc1 ZINC001160402499 938784615 /nfs/dbraw/zinc/78/46/15/938784615.db2.gz RXYCRMKQTUKZCF-UHFFFAOYSA-N 0 3 275.268 1.134 20 5 CDBDHN NCc1cn(-c2c(Cl)nccc2[N+](=O)[O-])cn1 ZINC001162297204 938973144 /nfs/dbraw/zinc/97/31/44/938973144.db2.gz WNPUUIWKCZLUAM-UHFFFAOYSA-N 0 3 253.649 1.288 20 5 CDBDHN CCOc1nc(-n2cnc3c2CNCC3)ccc1[N+](=O)[O-] ZINC001164316704 939453416 /nfs/dbraw/zinc/45/34/16/939453416.db2.gz NCHNGJLIBUOCJV-UHFFFAOYSA-N 0 3 289.295 1.220 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cnc1-n1ncc2c1CCNC2 ZINC001165218194 939526059 /nfs/dbraw/zinc/52/60/59/939526059.db2.gz JNQOATYFAVRPFJ-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN O=[N+]([O-])c1cc(-n2ncc3c2CCNC3)nc2[nH]ccc21 ZINC001165220721 939527246 /nfs/dbraw/zinc/52/72/46/939527246.db2.gz ZAHNQPCSJSCVLC-UHFFFAOYSA-N 0 3 284.279 1.303 20 5 CDBDHN COCCN1CCC(Oc2cncc([N+](=O)[O-])c2)CC1 ZINC001227990388 942253339 /nfs/dbraw/zinc/25/33/39/942253339.db2.gz LRHXHMANCIVFAI-UHFFFAOYSA-N 0 3 281.312 1.479 20 5 CDBDHN COCCNCC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001355317288 969121385 /nfs/dbraw/zinc/12/13/85/969121385.db2.gz WXZJLRUELCXPNK-NSHDSACASA-N 0 3 295.339 1.051 20 5 CDBDHN CCn1cc(Cl)cc1C(=O)OCC(C)[N+](=O)[O-] ZINC001515228708 976409777 /nfs/dbraw/zinc/40/97/77/976409777.db2.gz CQSDDOALNQEHLM-ZETCQYMHSA-N 0 3 260.677 1.983 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccncc2)cc1 ZINC000105909046 1163694529 /nfs/dbraw/zinc/69/45/29/1163694529.db2.gz SFWPPQFJNIRTPS-CQSZACIVSA-N 0 3 273.292 1.813 20 5 CDBDHN CCN1CCCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601116821 342470969 /nfs/dbraw/zinc/47/09/69/342470969.db2.gz XZZFMKBSZOCVPJ-UHFFFAOYSA-N 0 3 268.292 1.661 20 5 CDBDHN COc1ccc(CN[C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601139543 342479671 /nfs/dbraw/zinc/47/96/71/342479671.db2.gz FEJBXJMNIKUUHW-PHIMTYICSA-N 0 3 266.297 1.464 20 5 CDBDHN CN1CC[C@](O)(CNc2ccsc2[N+](=O)[O-])C1 ZINC000601144908 342481244 /nfs/dbraw/zinc/48/12/44/342481244.db2.gz YFLSYOYSQGZOLI-JTQLQIEISA-N 0 3 257.315 1.135 20 5 CDBDHN CCN1CCCC[C@@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590579898 342577529 /nfs/dbraw/zinc/57/75/29/342577529.db2.gz XXRUTUMMTHTASX-SNVBAGLBSA-N 0 3 279.344 1.280 20 5 CDBDHN CN(C)C1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611712665 346856226 /nfs/dbraw/zinc/85/62/26/346856226.db2.gz NMIGTAAFHTXULN-UHFFFAOYSA-N 0 3 273.296 1.288 20 5 CDBDHN COc1cc(CN(C)CCN(C)C)c([N+](=O)[O-])cc1OC ZINC000289932220 361903630 /nfs/dbraw/zinc/90/36/30/361903630.db2.gz WLXQSDIYDAOAHW-UHFFFAOYSA-N 0 3 297.355 1.605 20 5 CDBDHN O=C1C[C@H](CNCc2ccccc2[N+](=O)[O-])CN1C1CC1 ZINC000573732968 361925273 /nfs/dbraw/zinc/92/52/73/361925273.db2.gz ZNOLEONJSTWCIQ-LLVKDONJSA-N 0 3 289.335 1.695 20 5 CDBDHN CC(C)[C@H](N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651758 342933440 /nfs/dbraw/zinc/93/34/40/342933440.db2.gz GSWVUHXTZJJEFF-LBPRGKRZSA-N 0 3 277.284 1.537 20 5 CDBDHN CC[C@@H](N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653691 342934639 /nfs/dbraw/zinc/93/46/39/342934639.db2.gz XWVBHIIPXHHGCA-MRVPVSSYSA-N 0 3 263.257 1.291 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN(CCCO)C2CC2)cc1 ZINC000404253230 349769820 /nfs/dbraw/zinc/76/98/20/349769820.db2.gz CQEUNPADKODUHH-UHFFFAOYSA-N 0 3 264.325 1.984 20 5 CDBDHN O=C1CCCN1CCNCc1cccc([N+](=O)[O-])c1 ZINC000405350987 349784707 /nfs/dbraw/zinc/78/47/07/349784707.db2.gz BZGHMADJDKAVIA-UHFFFAOYSA-N 0 3 263.297 1.307 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595735567 343135285 /nfs/dbraw/zinc/13/52/85/343135285.db2.gz BBDSEAHDJKETDC-LBPRGKRZSA-N 0 3 296.323 1.321 20 5 CDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000596269602 343281300 /nfs/dbraw/zinc/28/13/00/343281300.db2.gz UXOJZONZFBHDNB-LLVKDONJSA-N 0 3 264.329 1.910 20 5 CDBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000090551261 342396458 /nfs/dbraw/zinc/39/64/58/342396458.db2.gz JDUNVIREARACLX-PHIMTYICSA-N 0 3 265.313 1.344 20 5 CDBDHN COCc1cc([N+](=O)[O-])ccc1NCCN(C)C ZINC000090998382 342398159 /nfs/dbraw/zinc/39/81/59/342398159.db2.gz HPYPPVNRKSXTGM-UHFFFAOYSA-N 0 3 253.302 1.715 20 5 CDBDHN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCN(C)C ZINC000090998447 342398192 /nfs/dbraw/zinc/39/81/92/342398192.db2.gz ZSDKXZYQDBKJHE-UHFFFAOYSA-N 0 3 299.302 1.884 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CC(N)=O)C1 ZINC000588977176 342446473 /nfs/dbraw/zinc/44/64/73/342446473.db2.gz GXKKUZKKAFQAKT-WDEREUQCSA-N 0 3 277.324 1.853 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598343782 343771585 /nfs/dbraw/zinc/77/15/85/343771585.db2.gz XSFNAPGLCWEXOT-LBPRGKRZSA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@H](NCCN1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599093250 343952588 /nfs/dbraw/zinc/95/25/88/343952588.db2.gz NJSRDGBWUWFUDJ-FZMZJTMJSA-N 0 3 279.340 1.312 20 5 CDBDHN COc1cc(CNC[C@@H]2CC[C@H](C)O2)c([N+](=O)[O-])cc1O ZINC000453635836 252330108 /nfs/dbraw/zinc/33/01/08/252330108.db2.gz VKGXMVBCYGNWMB-ONGXEEELSA-N 0 3 296.323 1.966 20 5 CDBDHN CO[C@@H]1CN[C@](C)(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602431704 344424205 /nfs/dbraw/zinc/42/42/05/344424205.db2.gz KCWMIOMEUUKYMK-AAEUAGOBSA-N 0 3 279.296 1.300 20 5 CDBDHN CC(C)CC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000602439306 344417448 /nfs/dbraw/zinc/41/74/48/344417448.db2.gz JNEJGWMVHZKQFX-ZDUSSCGKSA-N 0 3 279.340 1.975 20 5 CDBDHN CCN[C@H](C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000602457573 344438029 /nfs/dbraw/zinc/43/80/29/344438029.db2.gz GWGVRHYSCJCEOQ-SNVBAGLBSA-N 0 3 265.313 1.252 20 5 CDBDHN CC[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000602684965 344530658 /nfs/dbraw/zinc/53/06/58/344530658.db2.gz CEALNUMJZAMXOQ-LBPRGKRZSA-N 0 3 265.313 1.252 20 5 CDBDHN CCOC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602764295 344584703 /nfs/dbraw/zinc/58/47/03/344584703.db2.gz PEMOHESQNMGUPQ-UHFFFAOYSA-N 0 3 282.344 1.601 20 5 CDBDHN CC[C@]1(O)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000602982622 344674558 /nfs/dbraw/zinc/67/45/58/344674558.db2.gz VPCINWDRWFYTHI-LBPRGKRZSA-N 0 3 268.317 1.028 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](n2cccn2)C1 ZINC000602836736 344618936 /nfs/dbraw/zinc/61/89/36/344618936.db2.gz HLLWKKAVGGITRY-GFCCVEGCSA-N 0 3 290.327 1.243 20 5 CDBDHN CC1(F)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602992992 344682517 /nfs/dbraw/zinc/68/25/17/344682517.db2.gz MSVHRIGFRHGKKQ-UHFFFAOYSA-N 0 3 256.281 1.615 20 5 CDBDHN CN(C)CCN1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000603850702 344840115 /nfs/dbraw/zinc/84/01/15/344840115.db2.gz VSEILUZMESNEJN-UHFFFAOYSA-N 0 3 293.371 1.428 20 5 CDBDHN CN1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cn3)C2)C1 ZINC000292913304 362517676 /nfs/dbraw/zinc/51/76/76/362517676.db2.gz XSHBUQCHTUHWCR-ZDUSSCGKSA-N 0 3 277.328 1.307 20 5 CDBDHN COc1ccc(NC(=O)[C@@H](C)NC2CC2)cc1[N+](=O)[O-] ZINC000383013709 362937317 /nfs/dbraw/zinc/93/73/17/362937317.db2.gz FDRMJEORFSJQIO-MRVPVSSYSA-N 0 3 279.296 1.682 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000068342254 349063008 /nfs/dbraw/zinc/06/30/08/349063008.db2.gz DZZVEAVVKCHURH-AWEZNQCLSA-N 0 3 291.351 1.690 20 5 CDBDHN C[C@]1(O)CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000123888403 187113430 /nfs/dbraw/zinc/11/34/30/187113430.db2.gz KDKLPUPMEIDIHV-AWEZNQCLSA-N 0 3 280.324 1.820 20 5 CDBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000155104536 188183202 /nfs/dbraw/zinc/18/32/02/188183202.db2.gz FYHPNXLQCQPYRD-GHMZBOCLSA-N 0 3 293.323 1.548 20 5 CDBDHN CN(C)C(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000411944799 363384291 /nfs/dbraw/zinc/38/42/91/363384291.db2.gz RFWZDJJWMACZRZ-GFCCVEGCSA-N 0 3 277.324 1.505 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000411981070 363391911 /nfs/dbraw/zinc/39/19/11/363391911.db2.gz IJAYEVSXNFKMCA-STQMWFEESA-N 0 3 280.324 1.472 20 5 CDBDHN CN(C)CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000358422267 356209217 /nfs/dbraw/zinc/20/92/17/356209217.db2.gz MYBPNYJWEOZPQS-UHFFFAOYSA-N 0 3 283.303 1.296 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000286880190 358021086 /nfs/dbraw/zinc/02/10/86/358021086.db2.gz FDWUPZKMOFRCPN-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN C[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000192748167 358231804 /nfs/dbraw/zinc/23/18/04/358231804.db2.gz NRDBMECUKAUQCL-JTQLQIEISA-N 0 3 250.298 1.940 20 5 CDBDHN O=[N+]([O-])c1cccnc1N[C@@H]1CCCN(CCCO)C1 ZINC000294862982 199220281 /nfs/dbraw/zinc/22/02/81/199220281.db2.gz CIWBQFRLXMLMPD-LLVKDONJSA-N 0 3 280.328 1.249 20 5 CDBDHN CCCN(CCN1CCCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287353393 358444444 /nfs/dbraw/zinc/44/44/44/358444444.db2.gz NLEVQKRDGPLPHY-UHFFFAOYSA-N 0 3 295.343 1.266 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCCC3(CCOCC3)C2)c1 ZINC000365723481 366469975 /nfs/dbraw/zinc/46/99/75/366469975.db2.gz PALZRWGZMXAYEB-UHFFFAOYSA-N 0 3 294.355 1.684 20 5 CDBDHN NC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000262334312 360051001 /nfs/dbraw/zinc/05/10/01/360051001.db2.gz BMBHMWBCYVGBFI-UHFFFAOYSA-N 0 3 277.324 1.525 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCCC1 ZINC000345543439 361182480 /nfs/dbraw/zinc/18/24/80/361182480.db2.gz HZTKTHSWUVZNIG-UHFFFAOYSA-N 0 3 277.324 1.729 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000408466209 361183396 /nfs/dbraw/zinc/18/33/96/361183396.db2.gz LTFQPCQWARHPRI-RISCZKNCSA-N 0 3 289.335 1.679 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CCN(C)CC1 ZINC000345764491 361522111 /nfs/dbraw/zinc/52/21/11/361522111.db2.gz VYPWWODWJLHWGI-UHFFFAOYSA-N 0 3 280.328 1.100 20 5 CDBDHN CCN(C)C[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000581835180 364040854 /nfs/dbraw/zinc/04/08/54/364040854.db2.gz OSHNTGVQIMOVQQ-SNVBAGLBSA-N 0 3 271.342 1.395 20 5 CDBDHN CC[C@H](NC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000181731206 365037010 /nfs/dbraw/zinc/03/70/10/365037010.db2.gz KSNITOHQSQVYJT-KBPBESRZSA-N 0 3 280.324 1.787 20 5 CDBDHN Cn1c(C(=O)NC(C)(C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000457040503 365278224 /nfs/dbraw/zinc/27/82/24/365278224.db2.gz UGNVHUPCADIFPM-UHFFFAOYSA-N 0 3 294.355 1.538 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN(CCO)CCCO ZINC000093323831 365364199 /nfs/dbraw/zinc/36/41/99/365364199.db2.gz OVYYPZMPJJCVHZ-ZZXKWVIFSA-N 0 3 280.324 1.285 20 5 CDBDHN CN(CCN1CCCC1)c1ncccc1[N+](=O)[O-] ZINC000301202357 368379120 /nfs/dbraw/zinc/37/91/20/368379120.db2.gz PXMYWMVOFJMMRX-UHFFFAOYSA-N 0 3 250.302 1.522 20 5 CDBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330590142 203010885 /nfs/dbraw/zinc/01/08/85/203010885.db2.gz XYUDATUJGMMHSU-UHFFFAOYSA-N 0 3 280.328 1.337 20 5 CDBDHN Cc1c(NC(=O)CNCC2CC2)cccc1[N+](=O)[O-] ZINC000037613150 369336330 /nfs/dbraw/zinc/33/63/30/369336330.db2.gz MRWSHZVXTPUMOC-UHFFFAOYSA-N 0 3 263.297 1.841 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000330907247 203378613 /nfs/dbraw/zinc/37/86/13/203378613.db2.gz NRQKSBWSTPSNNV-IUCAKERBSA-N 0 3 283.353 1.869 20 5 CDBDHN C[C@@H](N[C@@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000036932562 296147687 /nfs/dbraw/zinc/14/76/87/296147687.db2.gz HRBJMJIUIWMAON-QWHCGFSZSA-N 0 3 293.367 1.966 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000049095773 372908539 /nfs/dbraw/zinc/90/85/39/372908539.db2.gz IAHDDIDJGXMOKR-SECBINFHSA-N 0 3 269.326 1.480 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCCC3(CC3)C2)c1 ZINC000187002256 373183652 /nfs/dbraw/zinc/18/36/52/373183652.db2.gz ATQNICIBCPAFGG-LBPRGKRZSA-N 0 3 280.328 1.028 20 5 CDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2CCCC2)cc1 ZINC000272949222 373602206 /nfs/dbraw/zinc/60/22/06/373602206.db2.gz PQEFDTYSGLKGFR-UHFFFAOYSA-N 0 3 298.364 1.901 20 5 CDBDHN C[C@@H]1C[C@H]1N1CCN(c2ncc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000488759067 373761339 /nfs/dbraw/zinc/76/13/39/373761339.db2.gz KBPUEAUDWHSBTN-DMDPSCGWSA-N 0 3 291.355 1.551 20 5 CDBDHN CCc1nn(C)c(N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000168956825 373847616 /nfs/dbraw/zinc/84/76/16/373847616.db2.gz ASEASXLYDDASSS-QMMMGPOBSA-N 0 3 255.322 1.253 20 5 CDBDHN CCc1nn(C)c(N[C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000168956906 373847799 /nfs/dbraw/zinc/84/77/99/373847799.db2.gz ASEASXLYDDASSS-MRVPVSSYSA-N 0 3 255.322 1.253 20 5 CDBDHN C[C@@H](CN(C)C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000168996740 373853185 /nfs/dbraw/zinc/85/31/85/373853185.db2.gz BYXKUXZAUXRJKV-VIFPVBQESA-N 0 3 275.312 1.900 20 5 CDBDHN CCCN[C@@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000423726345 246006485 /nfs/dbraw/zinc/00/64/85/246006485.db2.gz PSNLYLQUHHYBHA-VIFPVBQESA-N 0 3 281.312 1.930 20 5 CDBDHN Cc1c(CNC(=O)[C@H]2C[C@H](F)CN2)cccc1[N+](=O)[O-] ZINC000423793204 246086244 /nfs/dbraw/zinc/08/62/44/246086244.db2.gz CKXGBRFBQXHDLR-WDEREUQCSA-N 0 3 281.287 1.219 20 5 CDBDHN C[C@H](CN1CCCCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302485833 375207280 /nfs/dbraw/zinc/20/72/80/375207280.db2.gz YWOXWJIXVLJHHD-SNVBAGLBSA-N 0 3 294.359 1.643 20 5 CDBDHN COc1ccc(OCCN(C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000132150150 375406563 /nfs/dbraw/zinc/40/65/63/375406563.db2.gz NTHAEOCDNQIZMU-SNVBAGLBSA-N 0 3 284.312 1.295 20 5 CDBDHN Cn1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425967334 246955631 /nfs/dbraw/zinc/95/56/31/246955631.db2.gz NQZLCYZOACICRG-UHFFFAOYSA-N 0 3 289.339 1.967 20 5 CDBDHN C[C@H](O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162746174 375503928 /nfs/dbraw/zinc/50/39/28/375503928.db2.gz PHQBKLXCQYAFMM-CMPLNLGQSA-N 0 3 250.298 1.798 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](CO)C1CC1 ZINC000353071410 375573650 /nfs/dbraw/zinc/57/36/50/375573650.db2.gz JMCBYUBSFQNKCG-LBPRGKRZSA-N 0 3 250.298 1.703 20 5 CDBDHN C[C@@H]1[C@H](C)N(C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000357048365 375672901 /nfs/dbraw/zinc/67/29/01/375672901.db2.gz ZSMKCSHJXXDZKD-QWHCGFSZSA-N 0 3 293.367 1.998 20 5 CDBDHN CC(COC(=O)CCCNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000495907229 375691577 /nfs/dbraw/zinc/69/15/77/375691577.db2.gz XSSAAYWWTPDVPI-VIFPVBQESA-N 0 3 290.316 1.500 20 5 CDBDHN Cc1nc(NCCN2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296453040 376156786 /nfs/dbraw/zinc/15/67/86/376156786.db2.gz ITDYYZIIUYIFER-SNVBAGLBSA-N 0 3 279.344 1.837 20 5 CDBDHN CC(C)OCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473899 378470848 /nfs/dbraw/zinc/47/08/48/378470848.db2.gz CQZRJZLIDQYFPF-LBPRGKRZSA-N 0 3 294.355 1.901 20 5 CDBDHN CN(C)CCN(C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278508746 194018327 /nfs/dbraw/zinc/01/83/27/194018327.db2.gz XYDSZQOCJLOTKK-UHFFFAOYSA-N 0 3 264.329 1.561 20 5 CDBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000245959583 379368220 /nfs/dbraw/zinc/36/82/20/379368220.db2.gz UPDWYDZJAYOLCM-NWDGAFQWSA-N 0 3 279.340 1.734 20 5 CDBDHN CN(C)C/C=C/C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000492019283 253140512 /nfs/dbraw/zinc/14/05/12/253140512.db2.gz ODKUGSRBLVLRNE-ONEGZZNKSA-N 0 3 267.260 1.790 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@@H]2O)cc1 ZINC000037691590 285115207 /nfs/dbraw/zinc/11/52/07/285115207.db2.gz MDSTXVZXGKBJLO-OLZOCXBDSA-N 0 3 250.298 1.988 20 5 CDBDHN COCC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281804037 195388916 /nfs/dbraw/zinc/38/89/16/195388916.db2.gz YMVGTJSKVMVXKO-PWSUYJOCSA-N 0 3 268.313 1.643 20 5 CDBDHN CC(C)[C@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517014423 390967767 /nfs/dbraw/zinc/96/77/67/390967767.db2.gz TUAYHRNHMPIAIY-LBPRGKRZSA-N 0 3 281.312 1.073 20 5 CDBDHN CN(CCNc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413067768 391154080 /nfs/dbraw/zinc/15/40/80/391154080.db2.gz FKAPTNZVCNPGJW-UHFFFAOYSA-N 0 3 254.265 1.635 20 5 CDBDHN Cc1nn(C)c(NC[C@@]2(N(C)C)CCSC2)c1[N+](=O)[O-] ZINC000267141362 391230731 /nfs/dbraw/zinc/23/07/31/391230731.db2.gz XYFSZNVPNDDSRW-LBPRGKRZSA-N 0 3 299.400 1.486 20 5 CDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CNCCC1(F)F ZINC000449668682 391237486 /nfs/dbraw/zinc/23/74/86/391237486.db2.gz WUQGQHUWGXQKKU-NSHDSACASA-N 0 3 299.277 1.251 20 5 CDBDHN CN(CCn1cccc([N+](=O)[O-])c1=O)Cc1ccccc1 ZINC000278537029 391382717 /nfs/dbraw/zinc/38/27/17/391382717.db2.gz JGAQDSCJTHAXRL-UHFFFAOYSA-N 0 3 287.319 1.889 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000521101444 391618923 /nfs/dbraw/zinc/61/89/23/391618923.db2.gz LFTIQGQJENERDJ-NEPJUHHUSA-N 0 3 293.371 1.650 20 5 CDBDHN COCCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000054353678 391830660 /nfs/dbraw/zinc/83/06/60/391830660.db2.gz VDYPAHWNFGVEIR-UHFFFAOYSA-N 0 3 295.339 1.810 20 5 CDBDHN Cc1c(CN2CC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-] ZINC000590762170 391922327 /nfs/dbraw/zinc/92/23/27/391922327.db2.gz LGAPFHBWZXYWPU-ZWNOBZJWSA-N 0 3 250.298 1.858 20 5 CDBDHN C[C@@H]1NCCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262749837 131258943 /nfs/dbraw/zinc/25/89/43/131258943.db2.gz GKHFSSJAIAOTGH-QWRGUYRKSA-N 0 3 293.323 1.182 20 5 CDBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CCN1C ZINC000090794988 392521507 /nfs/dbraw/zinc/52/15/07/392521507.db2.gz WBVRYKBRKXHOMC-NXEZZACHSA-N 0 3 250.302 1.884 20 5 CDBDHN CN(C)C1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000273305521 392720439 /nfs/dbraw/zinc/72/04/39/392720439.db2.gz MNOCHDVPLRWAEG-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421708213 392944145 /nfs/dbraw/zinc/94/41/45/392944145.db2.gz ZSORRPGNMAGQMD-ZDUSSCGKSA-N 0 3 277.324 1.761 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1 ZINC000228099660 140190894 /nfs/dbraw/zinc/19/08/94/140190894.db2.gz VMJBHCXTINQJST-IACUBPJLSA-N 0 3 262.309 1.798 20 5 CDBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H](C)O ZINC000352214510 155028891 /nfs/dbraw/zinc/02/88/91/155028891.db2.gz ZSMHFZFZMWOOBP-JTQLQIEISA-N 0 3 268.313 1.806 20 5 CDBDHN CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000374912239 160326676 /nfs/dbraw/zinc/32/66/76/160326676.db2.gz NVTHVDTZMUJCMV-FZMZJTMJSA-N 0 3 289.335 1.761 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007960752 170309890 /nfs/dbraw/zinc/30/98/90/170309890.db2.gz NPKOIUBWEGZBEA-ZDUSSCGKSA-N 0 3 277.324 1.809 20 5 CDBDHN COc1ccc(CNC(C)(C)CO)cc1[N+](=O)[O-] ZINC000035603967 172291543 /nfs/dbraw/zinc/29/15/43/172291543.db2.gz ZGUQGVOLFIQVHZ-UHFFFAOYSA-N 0 3 254.286 1.464 20 5 CDBDHN CC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285411597 196276323 /nfs/dbraw/zinc/27/63/23/196276323.db2.gz UVFVTZANNIMFOQ-LBPRGKRZSA-N 0 3 252.314 1.840 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCC1OCCO1 ZINC000285455127 196289727 /nfs/dbraw/zinc/28/97/27/196289727.db2.gz YVUHKJQJRQMJSZ-UHFFFAOYSA-N 0 3 280.324 1.832 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000285481326 196299167 /nfs/dbraw/zinc/29/91/67/196299167.db2.gz LGGSRDHKAQNBIL-UHFFFAOYSA-N 0 3 266.297 1.430 20 5 CDBDHN C[C@H](NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177111 173010847 /nfs/dbraw/zinc/01/08/47/173010847.db2.gz SHJNKIKQFSAHFX-ZDUSSCGKSA-N 0 3 293.367 1.968 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCN1 ZINC000037810221 173753989 /nfs/dbraw/zinc/75/39/89/173753989.db2.gz GAFTYUJMZXUFNZ-GFCCVEGCSA-N 0 3 277.324 1.695 20 5 CDBDHN COc1ccc(CN[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000044723132 175237393 /nfs/dbraw/zinc/23/73/93/175237393.db2.gz DEPVNZUTPUZGBX-GFCCVEGCSA-N 0 3 291.351 1.930 20 5 CDBDHN Cc1c(CN[C@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000136122422 424183760 /nfs/dbraw/zinc/18/37/60/424183760.db2.gz ASYYNBXCSUXHFV-MRVPVSSYSA-N 0 3 251.286 1.257 20 5 CDBDHN CNC(=O)C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297151702 277232811 /nfs/dbraw/zinc/23/28/11/277232811.db2.gz CKDJSVZHZNASIM-UWVGGRQHSA-N 0 3 265.313 1.770 20 5 CDBDHN COC(=O)COC[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000295475043 277323705 /nfs/dbraw/zinc/32/37/05/277323705.db2.gz RUJJBFWKZOCRPF-GHMZBOCLSA-N 0 3 296.323 1.824 20 5 CDBDHN C[C@@]1(F)CNCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420344390 279167269 /nfs/dbraw/zinc/16/72/69/279167269.db2.gz YBPNXPFMPHYKJY-CQSZACIVSA-N 0 3 281.331 1.771 20 5 CDBDHN CC(C)CN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000049442374 279175132 /nfs/dbraw/zinc/17/51/32/279175132.db2.gz WGTHBQRQUGCPBO-UHFFFAOYSA-N 0 3 265.313 1.782 20 5 CDBDHN CC[C@H](COC)NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000568883759 294120055 /nfs/dbraw/zinc/12/00/55/294120055.db2.gz SVANKCWYYCLUQS-SNVBAGLBSA-N 0 3 284.312 1.824 20 5 CDBDHN CC(C)=CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571158881 294378415 /nfs/dbraw/zinc/37/84/15/294378415.db2.gz ZFKRLGYDAQGFMN-CYBMUJFWSA-N 0 3 280.324 1.890 20 5 CDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCC2CCC2)cc1 ZINC000572677275 294671554 /nfs/dbraw/zinc/67/15/54/294671554.db2.gz BLBHHPXCVBYLEL-UHFFFAOYSA-N 0 3 298.364 1.758 20 5 CDBDHN Cc1cnc(N2CC[C@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272255906 302352736 /nfs/dbraw/zinc/35/27/36/302352736.db2.gz ZEWGPTDUEZJBEF-YPMHNXCESA-N 0 3 276.340 1.829 20 5 CDBDHN CN1CCC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183632976 323344186 /nfs/dbraw/zinc/34/41/86/323344186.db2.gz KEGFJFMHSWGDNQ-SNVBAGLBSA-N 0 3 293.327 1.453 20 5 CDBDHN CCc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000366566744 523891350 /nfs/dbraw/zinc/89/13/50/523891350.db2.gz LHGWRYCOALGZPU-RYUDHWBXSA-N 0 3 295.314 1.587 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(C2CC2)C1 ZINC000052812809 525578840 /nfs/dbraw/zinc/57/88/40/525578840.db2.gz AKWUXRGVMYAMQD-SNVBAGLBSA-N 0 3 262.313 1.947 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCCNCC2)c1 ZINC000237240837 536949071 /nfs/dbraw/zinc/94/90/71/536949071.db2.gz VWVYWNJAINYYKV-UHFFFAOYSA-N 0 3 279.296 1.039 20 5 CDBDHN C[C@@H]1CCCN1CCNc1ccc([N+](=O)[O-])cn1 ZINC000742428009 574421281 /nfs/dbraw/zinc/42/12/81/574421281.db2.gz XPNQVEXTBIUAQN-SNVBAGLBSA-N 0 3 250.302 1.886 20 5 CDBDHN C[C@H](N[C@@H]1COC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905867812 627010336 /nfs/dbraw/zinc/01/03/36/627010336.db2.gz OPRKNLYNJCKGNI-OUJBWJOFSA-N 0 3 293.323 1.546 20 5 CDBDHN CN1CCC[C@@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000917483251 632221812 /nfs/dbraw/zinc/22/18/12/632221812.db2.gz CDXMAEINFIUJMV-SNVBAGLBSA-N 0 3 250.302 1.763 20 5 CDBDHN Cc1c(F)cnc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170564323 1162929201 /nfs/dbraw/zinc/92/92/01/1162929201.db2.gz PWPQHAQZMQHNCC-PSASIEDQSA-N 0 3 284.291 1.226 20 5 CDBDHN Cc1nn(C)c2nc(C)c(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813108434 1163816202 /nfs/dbraw/zinc/81/62/02/1163816202.db2.gz FVMDFZMTVJBTSK-SSDOTTSWSA-N 0 3 292.295 1.407 20 5 CDBDHN CN(C)C[C@H](CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000716783585 910685892 /nfs/dbraw/zinc/68/58/92/910685892.db2.gz VQGROUHNGWINMA-SECBINFHSA-N 0 3 273.720 1.583 20 5 CDBDHN CC(COC(=O)c1c(C2CC2)cnn1C)[N+](=O)[O-] ZINC000851037115 927503769 /nfs/dbraw/zinc/50/37/69/927503769.db2.gz QAPYSPBUYAWPLD-SSDOTTSWSA-N 0 3 253.258 1.120 20 5 CDBDHN COc1ccc(-n2ccc([C@@H](C)N)n2)nc1[N+](=O)[O-] ZINC001169228052 927827312 /nfs/dbraw/zinc/82/73/12/927827312.db2.gz LGEWBDMJFSWYQY-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1N[C@H]1CCC[C@@H](O)C1)CNC2 ZINC001169251675 927892805 /nfs/dbraw/zinc/89/28/05/927892805.db2.gz SOJIAYXNRDKKDM-NWDGAFQWSA-N 0 3 277.324 1.913 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C3CC3)C2)c1 ZINC000853231935 927991246 /nfs/dbraw/zinc/99/12/46/927991246.db2.gz PABGVKUNKAUCSZ-SNVBAGLBSA-N 0 3 262.313 1.826 20 5 CDBDHN O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000881868882 929910011 /nfs/dbraw/zinc/91/00/11/929910011.db2.gz QVOYCANKLZYCOV-VHSXEESVSA-N 0 3 296.302 1.404 20 5 CDBDHN O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000881868880 929911105 /nfs/dbraw/zinc/91/11/05/929911105.db2.gz QVOYCANKLZYCOV-NXEZZACHSA-N 0 3 296.302 1.404 20 5 CDBDHN CC(C)[C@@H](CCO)NCc1cccnc1[N+](=O)[O-] ZINC000886125070 930810627 /nfs/dbraw/zinc/81/06/27/930810627.db2.gz IWPIKDHEPOIUNI-LLVKDONJSA-N 0 3 253.302 1.486 20 5 CDBDHN CN1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001156581239 938389047 /nfs/dbraw/zinc/38/90/47/938389047.db2.gz GHLJFZOMRVZONJ-VIFPVBQESA-N 0 3 273.296 1.654 20 5 CDBDHN C[C@@H](N)c1ccn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])n1 ZINC001158351195 938613130 /nfs/dbraw/zinc/61/31/30/938613130.db2.gz XBWNMRLVLYXAJX-ZCFIWIBFSA-N 0 3 283.675 1.087 20 5 CDBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CCN4CC[C@@H]4C3)nc21 ZINC001158431650 938625072 /nfs/dbraw/zinc/62/50/72/938625072.db2.gz FPTVQQINRPOLHD-SECBINFHSA-N 0 3 273.296 1.365 20 5 CDBDHN CN(C)/C=C/c1cc(NCC2CN(C)C2)ncc1[N+](=O)[O-] ZINC001159219380 938713104 /nfs/dbraw/zinc/71/31/04/938713104.db2.gz HOLWKPWWMQLKNI-SNAWJCMRSA-N 0 3 291.355 1.496 20 5 CDBDHN C[C@H](Nc1cc([N+](=O)[O-])c2cc[nH]c2n1)[C@H]1CNCCO1 ZINC001159496741 938733707 /nfs/dbraw/zinc/73/37/07/938733707.db2.gz FLUKAMYZFUWCLT-GZMMTYOYSA-N 0 3 291.311 1.260 20 5 CDBDHN CCOc1nc(N[C@@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159498231 938734469 /nfs/dbraw/zinc/73/44/69/938734469.db2.gz KXRFHRCPPYDSHA-GXSJLCMTSA-N 0 3 296.327 1.177 20 5 CDBDHN COc1cc(C)nc(-n2cnc3c2CNCC3)c1[N+](=O)[O-] ZINC001164313986 939452660 /nfs/dbraw/zinc/45/26/60/939452660.db2.gz YJJXTGLUFIPFOI-UHFFFAOYSA-N 0 3 289.295 1.138 20 5 CDBDHN Cc1cnc(-n2ncc3c2CCNC3)c([N+](=O)[O-])c1 ZINC001165218958 939526496 /nfs/dbraw/zinc/52/64/96/939526496.db2.gz SWQCDNMQNLEGOK-UHFFFAOYSA-N 0 3 259.269 1.130 20 5 CDBDHN COCCN1CCC(Oc2ccc(C)nc2[N+](=O)[O-])CC1 ZINC001227222530 942152021 /nfs/dbraw/zinc/15/20/21/942152021.db2.gz QFFCDGZZRYAIFD-UHFFFAOYSA-N 0 3 295.339 1.788 20 5 CDBDHN CO[C@@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001254550480 947523035 /nfs/dbraw/zinc/52/30/35/947523035.db2.gz KPZQRDRPUGRRAR-DFBGVHRSSA-N 0 3 294.351 1.871 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](F)[C@@H](N)C1 ZINC001246524531 948227248 /nfs/dbraw/zinc/22/72/48/948227248.db2.gz GNCCSQKSOIASNI-BIMULSAOSA-N 0 3 267.304 1.507 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1N(C)C[C@@H]1CCCN1C ZINC001326197882 954262092 /nfs/dbraw/zinc/26/20/92/954262092.db2.gz FLJJOJFGQWOJGW-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN Cc1cc(CNCCOc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001321672307 959899819 /nfs/dbraw/zinc/89/98/19/959899819.db2.gz IRCMIKWSFSPWCR-UHFFFAOYSA-N 0 3 276.296 1.795 20 5 CDBDHN Nc1cc(N2CC[C@H](N3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC001337787856 961420293 /nfs/dbraw/zinc/42/02/93/961420293.db2.gz KKAHMOVGHZKEQC-JTQLQIEISA-N 0 3 275.312 1.023 20 5 CDBDHN CC(=O)c1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC001346122686 964941470 /nfs/dbraw/zinc/94/14/70/964941470.db2.gz FKLRLOIGYRXFJJ-YFKPBYRVSA-N 0 3 258.255 1.168 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693294 342583362 /nfs/dbraw/zinc/58/33/62/342583362.db2.gz QUSKTRYFHJSZSA-CMPLNLGQSA-N 0 3 264.329 1.766 20 5 CDBDHN C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000591085288 342616847 /nfs/dbraw/zinc/61/68/47/342616847.db2.gz XJSKLKBSMRGKFE-QWRGUYRKSA-N 0 3 279.340 1.765 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cccnc1 ZINC000611572225 346828926 /nfs/dbraw/zinc/82/89/26/346828926.db2.gz DNNBPXIYTRXMOH-SNVBAGLBSA-N 0 3 275.312 1.846 20 5 CDBDHN CC(C)c1ccc(CNC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600677543 342241986 /nfs/dbraw/zinc/24/19/86/342241986.db2.gz GFDSFEYABPLZFP-CYBMUJFWSA-N 0 3 293.367 1.796 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1COCCN1)CCC2 ZINC000600707683 342243297 /nfs/dbraw/zinc/24/32/97/342243297.db2.gz ACVNCAAGWGEEPX-DOMZBBRYSA-N 0 3 291.351 1.550 20 5 CDBDHN CCN1CCN(CCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000269963199 190576792 /nfs/dbraw/zinc/57/67/92/190576792.db2.gz VQRPWXZGXZDCKN-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN C[C@H]1CCCN(CCNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000079914731 342348395 /nfs/dbraw/zinc/34/83/95/342348395.db2.gz XFHLBMWBDYLYNW-VIFPVBQESA-N 0 3 280.332 1.111 20 5 CDBDHN CC[C@H](NC)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000595929574 343184111 /nfs/dbraw/zinc/18/41/11/343184111.db2.gz KPUDATQPFAYQCE-NSHDSACASA-N 0 3 295.295 1.318 20 5 CDBDHN O=C1CC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1 ZINC000595744313 343150376 /nfs/dbraw/zinc/15/03/76/343150376.db2.gz VTZTVUGCJBMUKO-JSGCOSHPSA-N 0 3 289.335 1.695 20 5 CDBDHN CN(C[C@H]1CCCN(C)C1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596129445 343238020 /nfs/dbraw/zinc/23/80/20/343238020.db2.gz PZPMWWZJDJGECV-JTQLQIEISA-N 0 3 279.344 1.350 20 5 CDBDHN CC[C@H](C)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596259199 343277561 /nfs/dbraw/zinc/27/75/61/343277561.db2.gz UOSFHFPKEDVOKB-JTQLQIEISA-N 0 3 280.328 1.616 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598341631 343770452 /nfs/dbraw/zinc/77/04/52/343770452.db2.gz FBZXEXOXLXAJAM-CYBMUJFWSA-N 0 3 291.351 1.738 20 5 CDBDHN COC(=O)c1ccnc(SCCN(C)C)c1[N+](=O)[O-] ZINC000598604441 343851510 /nfs/dbraw/zinc/85/15/10/343851510.db2.gz RJCAKCKPVYAYDA-UHFFFAOYSA-N 0 3 285.325 1.430 20 5 CDBDHN CS[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602837752 344619420 /nfs/dbraw/zinc/61/94/20/344619420.db2.gz ZTEPEBNIEXEBEW-SNVBAGLBSA-N 0 3 270.358 1.537 20 5 CDBDHN CC[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000344212424 362555537 /nfs/dbraw/zinc/55/55/37/362555537.db2.gz CNJPUGWQURYZNL-LBPRGKRZSA-N 0 3 252.318 1.913 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000086467399 179297336 /nfs/dbraw/zinc/29/73/36/179297336.db2.gz FPCOZYXVIWAJCB-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)CN1 ZINC000086467681 179298251 /nfs/dbraw/zinc/29/82/51/179298251.db2.gz PUTFTGPIVWFMBE-YUMQZZPRSA-N 0 3 253.258 1.010 20 5 CDBDHN Cc1c(C(=O)N2C[C@H](C)NC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000086467874 179299058 /nfs/dbraw/zinc/29/90/58/179299058.db2.gz RIUULCSXCJMKIE-UWVGGRQHSA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000086467984 179299135 /nfs/dbraw/zinc/29/91/35/179299135.db2.gz AWLSUBUXYWPUPR-JGVFFNPUSA-N 0 3 269.326 1.479 20 5 CDBDHN CC1(C)[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]21 ZINC000090550757 180003095 /nfs/dbraw/zinc/00/30/95/180003095.db2.gz LMCWYMWZGXLOFW-TXEJJXNPSA-N 0 3 277.324 1.344 20 5 CDBDHN Cc1cnc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000090692326 180025467 /nfs/dbraw/zinc/02/54/67/180025467.db2.gz OMFIRYAITVMEGU-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN COc1cccc(C(=O)N[C@@H]2CCNC[C@H]2F)c1[N+](=O)[O-] ZINC001579260288 1172127959 /nfs/dbraw/zinc/12/79/59/1172127959.db2.gz ZAYRUBYTKHQDFS-NXEZZACHSA-N 0 3 297.286 1.033 20 5 CDBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)CO ZINC000292144216 198180620 /nfs/dbraw/zinc/18/06/20/198180620.db2.gz JRJOGJPUJGWLKB-MFKMUULPSA-N 0 3 268.313 1.331 20 5 CDBDHN C[C@@H](CN1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659660 192250857 /nfs/dbraw/zinc/25/08/57/192250857.db2.gz VVBZDHICHWPFSN-MNOVXSKESA-N 0 3 279.344 1.917 20 5 CDBDHN CC(C)(CO)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609845856 356457162 /nfs/dbraw/zinc/45/71/62/356457162.db2.gz JUTRCTXYGWGFRP-UHFFFAOYSA-N 0 3 293.367 1.483 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCCC3(CC3)C2)c1 ZINC000186993939 357716745 /nfs/dbraw/zinc/71/67/45/357716745.db2.gz KZLYIWGHQPNZSC-UHFFFAOYSA-N 0 3 250.302 1.667 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)CCN(C)C1CC1 ZINC000361007226 357771603 /nfs/dbraw/zinc/77/16/03/357771603.db2.gz PCSOPMWNPKEJGF-UHFFFAOYSA-N 0 3 281.360 1.650 20 5 CDBDHN COc1cc(C[NH2+]C[C@@H](C)CCCO)c([N+](=O)[O-])cc1[O-] ZINC000294774364 199176289 /nfs/dbraw/zinc/17/62/89/199176289.db2.gz KNIOSSUMLUMQNC-JTQLQIEISA-N 0 3 298.339 1.807 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@]1(O)CCOC1)CCC2 ZINC000193050348 358260811 /nfs/dbraw/zinc/26/08/11/358260811.db2.gz QODHPLZDAQBZNC-CABCVRRESA-N 0 3 292.335 1.713 20 5 CDBDHN Cc1ccc(CNCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000294820420 199199003 /nfs/dbraw/zinc/19/90/03/199199003.db2.gz KNVIDNQYTJPJPS-UHFFFAOYSA-N 0 3 293.367 1.450 20 5 CDBDHN CC1(C)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176242921 358750435 /nfs/dbraw/zinc/75/04/35/358750435.db2.gz MTKJZJWMYDGDFZ-UHFFFAOYSA-N 0 3 252.318 1.913 20 5 CDBDHN CCN(C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264947817 358788759 /nfs/dbraw/zinc/78/87/59/358788759.db2.gz XKJNBEDCJKQUQZ-UHFFFAOYSA-N 0 3 290.323 1.758 20 5 CDBDHN COC[C@H](O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539060758 358949453 /nfs/dbraw/zinc/94/94/53/358949453.db2.gz QUHMIVJMDANMTL-WCQYABFASA-N 0 3 282.340 1.951 20 5 CDBDHN CCN1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296648002 199957755 /nfs/dbraw/zinc/95/77/55/199957755.db2.gz XEBKOOKAJMLIEO-UHFFFAOYSA-N 0 3 265.317 1.589 20 5 CDBDHN C[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000347849792 359861300 /nfs/dbraw/zinc/86/13/00/359861300.db2.gz NJUSFIBWMPOXON-ZJUUUORDSA-N 0 3 297.330 1.904 20 5 CDBDHN COc1cc(C[NH2+]CCC[C@H](C)CO)c([N+](=O)[O-])cc1[O-] ZINC000270238906 359935847 /nfs/dbraw/zinc/93/58/47/359935847.db2.gz CEZAQMBAGSPVFU-JTQLQIEISA-N 0 3 298.339 1.807 20 5 CDBDHN COc1ccc(CNC[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000176751784 189007645 /nfs/dbraw/zinc/00/76/45/189007645.db2.gz FYHHYLCDLHFCRA-ZDUSSCGKSA-N 0 3 298.364 1.561 20 5 CDBDHN NC(=O)C1(NCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000177122003 189030030 /nfs/dbraw/zinc/03/00/30/189030030.db2.gz XZJLHIFIYMVHND-UHFFFAOYSA-N 0 3 291.351 1.915 20 5 CDBDHN C[C@]1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000178008996 189084740 /nfs/dbraw/zinc/08/47/40/189084740.db2.gz PGCKFOMNZQLWTF-ZDUSSCGKSA-N 0 3 266.297 1.430 20 5 CDBDHN CC(C)[C@@H](CO)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000180605706 189265094 /nfs/dbraw/zinc/26/50/94/189265094.db2.gz LTGYPRCXXUTSQK-CYBMUJFWSA-N 0 3 295.339 1.164 20 5 CDBDHN C[C@H]1C[C@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340905701 363761010 /nfs/dbraw/zinc/76/10/10/363761010.db2.gz OKFQJADMWGNXMO-JQWIXIFHSA-N 0 3 266.297 1.429 20 5 CDBDHN N[C@@H](CC(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000345692205 361398889 /nfs/dbraw/zinc/39/88/89/361398889.db2.gz MSNFSHPEGXXKQJ-QMMMGPOBSA-N 0 3 285.250 1.466 20 5 CDBDHN N[C@H](CC(F)F)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000345693776 361399304 /nfs/dbraw/zinc/39/93/04/361399304.db2.gz OTIIVIYQBJEIDU-SECBINFHSA-N 0 3 287.266 1.236 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H](CO)[C@@H]2CCOC2)c1 ZINC000280204138 239101028 /nfs/dbraw/zinc/10/10/28/239101028.db2.gz FCBMZVJVHXIFNJ-CHWSQXEVSA-N 0 3 280.324 1.329 20 5 CDBDHN C[C@@H]1C[C@@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340914506 363946746 /nfs/dbraw/zinc/94/67/46/363946746.db2.gz RWSAKWUNSXXSCG-DGCLKSJQSA-N 0 3 280.324 1.819 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000582460639 364091744 /nfs/dbraw/zinc/09/17/44/364091744.db2.gz SQDGIGFYRKDGSV-LBPRGKRZSA-N 0 3 291.351 1.595 20 5 CDBDHN C[C@H]1CN(C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330666383 203094562 /nfs/dbraw/zinc/09/45/62/203094562.db2.gz ICGYTYMESLPDPQ-LBPRGKRZSA-N 0 3 279.340 1.610 20 5 CDBDHN Cc1c(CN(C[C@H](O)CO)C(C)C)cccc1[N+](=O)[O-] ZINC000421005957 244555863 /nfs/dbraw/zinc/55/58/63/244555863.db2.gz VNRAKQXFWMLBBH-ZDUSSCGKSA-N 0 3 282.340 1.467 20 5 CDBDHN COc1ccc(NC(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000272889982 372319043 /nfs/dbraw/zinc/31/90/43/372319043.db2.gz YIGHCZXZOUFFOG-UHFFFAOYSA-N 0 3 282.300 1.287 20 5 CDBDHN C[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269624424 373200883 /nfs/dbraw/zinc/20/08/83/373200883.db2.gz CGRJCBOOAKEBSG-GXFFZTMASA-N 0 3 250.298 1.970 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(N)=O)CC1 ZINC000266534389 373961855 /nfs/dbraw/zinc/96/18/55/373961855.db2.gz NJGQJHCXSARAOR-JTQLQIEISA-N 0 3 277.324 1.853 20 5 CDBDHN CCC[C@]1(CO)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000368584247 374320279 /nfs/dbraw/zinc/32/02/79/374320279.db2.gz VTDWFKBIJNQQAI-ZDUSSCGKSA-N 0 3 282.344 1.276 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN(CCOC3CCC3)CC2)n1 ZINC000376504089 374562104 /nfs/dbraw/zinc/56/21/04/374562104.db2.gz CMAJXCMBPVYMSY-UHFFFAOYSA-N 0 3 294.355 1.997 20 5 CDBDHN C[C@H](CC(N)=O)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582108 374703710 /nfs/dbraw/zinc/70/37/10/374703710.db2.gz XZECIVWUHIUWNP-RNCFNFMXSA-N 0 3 277.324 1.826 20 5 CDBDHN Cc1ccc(NC(=O)[C@@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000019477066 374736843 /nfs/dbraw/zinc/73/68/43/374736843.db2.gz BCHZBOOFCMWHPM-NSHDSACASA-N 0 3 251.286 1.825 20 5 CDBDHN C[C@H](NCCN1CCOC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000330382914 374848414 /nfs/dbraw/zinc/84/84/14/374848414.db2.gz JGOPGUFOTYLGOU-OLZOCXBDSA-N 0 3 293.367 1.966 20 5 CDBDHN C[S@](=O)C1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000282194293 375071339 /nfs/dbraw/zinc/07/13/39/375071339.db2.gz CEMHDGAOPBKWHA-SFHVURJKSA-N 0 3 268.338 1.596 20 5 CDBDHN Cc1n[nH]c(C(=O)NCCN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299445560 375172321 /nfs/dbraw/zinc/17/23/21/375172321.db2.gz NAPBSOXSDNJKNI-VIFPVBQESA-N 0 3 295.343 1.088 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000351096150 375271133 /nfs/dbraw/zinc/27/11/33/375271133.db2.gz GTUAIKJOJXBDAY-SECBINFHSA-N 0 3 266.301 1.666 20 5 CDBDHN CN(C)Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000343175868 375463953 /nfs/dbraw/zinc/46/39/53/375463953.db2.gz WRQIOIHTPHWKPP-UHFFFAOYSA-N 0 3 289.295 1.632 20 5 CDBDHN CCC[C@@](C)(N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353442476 375609298 /nfs/dbraw/zinc/60/92/98/375609298.db2.gz RQBRLQQWFAIMBX-CQSZACIVSA-N 0 3 295.339 1.737 20 5 CDBDHN CC[C@H](CO)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000294158033 375720492 /nfs/dbraw/zinc/72/04/92/375720492.db2.gz QNHAZIJPFDKICL-SNVBAGLBSA-N 0 3 256.277 1.937 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172978298 377793224 /nfs/dbraw/zinc/79/32/24/377793224.db2.gz RHQMMZMRDYYWAR-CQSZACIVSA-N 0 3 291.351 1.738 20 5 CDBDHN COc1ccc(OCCN2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000173787623 379219799 /nfs/dbraw/zinc/21/97/99/379219799.db2.gz DNIYENRKJPWZBD-LLVKDONJSA-N 0 3 296.323 1.296 20 5 CDBDHN CC[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449779602 251016798 /nfs/dbraw/zinc/01/67/98/251016798.db2.gz UFQZOPROEMBXPW-PWSUYJOCSA-N 0 3 279.340 1.640 20 5 CDBDHN C[C@@]1(O)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280143496 194722018 /nfs/dbraw/zinc/72/20/18/194722018.db2.gz REFVGCFWBYSEOR-LSDHHAIUSA-N 0 3 294.351 1.865 20 5 CDBDHN C[C@@]1(C(N)=O)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000280870264 195010012 /nfs/dbraw/zinc/01/00/12/195010012.db2.gz ZMPXNKBBAOPLFU-CQSZACIVSA-N 0 3 293.323 1.171 20 5 CDBDHN CN(C)C/C=C\C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000492303475 253194327 /nfs/dbraw/zinc/19/43/27/253194327.db2.gz GHUMQAVRLXOPGQ-ARJAWSKDSA-N 0 3 289.295 1.527 20 5 CDBDHN O=[N+]([O-])c1cccnc1N1CC[C@H](N2CCCC2)C1 ZINC000072089515 285166451 /nfs/dbraw/zinc/16/64/51/285166451.db2.gz AFGOTSNCQHMIBJ-NSHDSACASA-N 0 3 262.313 1.664 20 5 CDBDHN CN1CC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413114712 391161449 /nfs/dbraw/zinc/16/14/49/391161449.db2.gz FHZKZAZQBWGEMP-MRVPVSSYSA-N 0 3 254.265 1.493 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])s1 ZINC000190333782 391375007 /nfs/dbraw/zinc/37/50/07/391375007.db2.gz WYGVPARGQQQKDT-BDAKNGLRSA-N 0 3 270.358 1.828 20 5 CDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 ZINC000292261408 391570936 /nfs/dbraw/zinc/57/09/36/391570936.db2.gz PNCZZPOOUKLYHX-CYBMUJFWSA-N 0 3 279.296 1.356 20 5 CDBDHN COc1cccc(C(=O)NC[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000192567901 391683219 /nfs/dbraw/zinc/68/32/19/391683219.db2.gz IFJBRMUKYKHXPG-SNVBAGLBSA-N 0 3 293.323 1.427 20 5 CDBDHN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000191721318 130286000 /nfs/dbraw/zinc/28/60/00/130286000.db2.gz UCJXVNAEDVYOTG-PWSUYJOCSA-N 0 3 250.298 1.655 20 5 CDBDHN CC(C)[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1C ZINC000488053064 392212894 /nfs/dbraw/zinc/21/28/94/392212894.db2.gz OEHCYGKERJEMKV-ZDUSSCGKSA-N 0 3 281.360 1.063 20 5 CDBDHN Cc1ccc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262735294 131257197 /nfs/dbraw/zinc/25/71/97/131257197.db2.gz CHLLICAQVAZUHA-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@@H]1C[C@@H]1N1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774457 392726311 /nfs/dbraw/zinc/72/63/11/392726311.db2.gz YNMAHYSWSOVYKC-TUAOUCFPSA-N 0 3 293.371 1.495 20 5 CDBDHN C[C@H]1C[C@@H]1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000488570210 392697904 /nfs/dbraw/zinc/69/79/04/392697904.db2.gz CYMYJSNRUVTBEG-WDEREUQCSA-N 0 3 298.364 1.614 20 5 CDBDHN Cc1cc(C(=O)NCCN2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000524720438 392917860 /nfs/dbraw/zinc/91/78/60/392917860.db2.gz QNGOOSYWFRVHNS-NSHDSACASA-N 0 3 291.351 1.975 20 5 CDBDHN Cc1cc(C(=O)N[C@@H]2CNCCC2(F)F)ccc1[N+](=O)[O-] ZINC000449657767 393137688 /nfs/dbraw/zinc/13/76/88/393137688.db2.gz QQXLRIYZOXQHLL-LLVKDONJSA-N 0 3 299.277 1.630 20 5 CDBDHN CN(C)C1(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000493759749 393220124 /nfs/dbraw/zinc/22/01/24/393220124.db2.gz UKXCFJUNXZJRCY-BQYQJAHWSA-N 0 3 289.335 1.818 20 5 CDBDHN CCOC[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352549683 155264798 /nfs/dbraw/zinc/26/47/98/155264798.db2.gz FPWQBSHYEKRUKW-CYBMUJFWSA-N 0 3 282.340 1.467 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000346258388 153115052 /nfs/dbraw/zinc/11/50/52/153115052.db2.gz JWFIRUZBALYZCC-MRVPVSSYSA-N 0 3 295.295 1.003 20 5 CDBDHN CCN(CCOc1ccccc1[N+](=O)[O-])C[C@@H](C)O ZINC000352203365 155019873 /nfs/dbraw/zinc/01/98/73/155019873.db2.gz REYIKICUORPUAA-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN C[C@@H](NCCC(C)(C)O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285351144 196257719 /nfs/dbraw/zinc/25/77/19/196257719.db2.gz VGFLRVINDZBHJJ-SECBINFHSA-N 0 3 267.329 1.989 20 5 CDBDHN CNC(=O)c1ccc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000397832430 270351860 /nfs/dbraw/zinc/35/18/60/270351860.db2.gz ZFAIUQHSXJSJOW-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN CC(C)C[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676247 275915538 /nfs/dbraw/zinc/91/55/38/275915538.db2.gz NHKRCKWGNRXRJB-ZDUSSCGKSA-N 0 3 279.340 1.627 20 5 CDBDHN CNC(=O)C[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000298560213 277231365 /nfs/dbraw/zinc/23/13/65/277231365.db2.gz IOAYJZYAWUSSHT-SECBINFHSA-N 0 3 251.286 1.209 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1C ZINC000195316706 280078393 /nfs/dbraw/zinc/07/83/93/280078393.db2.gz JDUOMCCSUFFGRB-GFCCVEGCSA-N 0 3 277.324 1.727 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000343418132 280105934 /nfs/dbraw/zinc/10/59/34/280105934.db2.gz BCNMMORPJRQPQP-JQWIXIFHSA-N 0 3 277.324 1.807 20 5 CDBDHN O=C([C@H]1CCCCN1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237996914 280195977 /nfs/dbraw/zinc/19/59/77/280195977.db2.gz ZQVIIGGXGXEELW-CQSZACIVSA-N 0 3 289.335 1.622 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000264355785 280539174 /nfs/dbraw/zinc/53/91/74/280539174.db2.gz AJHMZOLOCBOMRX-JTQLQIEISA-N 0 3 283.353 1.823 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C2CCC1CC2 ZINC000542208761 289536369 /nfs/dbraw/zinc/53/63/69/289536369.db2.gz ANKWQZSIYQFFPE-BPCQOVAHSA-N 0 3 292.335 1.961 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](CN(C)C)C1 ZINC000266504197 290266797 /nfs/dbraw/zinc/26/67/97/290266797.db2.gz BIEZTYPYOLOCND-OLZOCXBDSA-N 0 3 293.367 1.918 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562294282 293128650 /nfs/dbraw/zinc/12/86/50/293128650.db2.gz CLNQALXRFOCSAG-JTQLQIEISA-N 0 3 280.328 1.344 20 5 CDBDHN Cc1nc(N2CC[C@@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000568355974 294019305 /nfs/dbraw/zinc/01/93/05/294019305.db2.gz WDRRJPXZXDKNAM-LLVKDONJSA-N 0 3 277.328 1.368 20 5 CDBDHN C[C@H](CCN1CCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000124243715 298430514 /nfs/dbraw/zinc/43/05/14/298430514.db2.gz SCSQLIZCIZAMGV-CYBMUJFWSA-N 0 3 293.367 1.795 20 5 CDBDHN CCN(C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579104051 324104195 /nfs/dbraw/zinc/10/41/95/324104195.db2.gz JMJVQQOUEYYVNN-NSHDSACASA-N 0 3 279.340 1.766 20 5 CDBDHN C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235723215 524812973 /nfs/dbraw/zinc/81/29/73/524812973.db2.gz AQNXCJJIPLGKIY-UWVGGRQHSA-N 0 3 299.352 1.014 20 5 CDBDHN CCc1n[nH]c(C(=O)N[C@@H](CN(C)C)C(C)C)c1[N+](=O)[O-] ZINC000767922479 576239182 /nfs/dbraw/zinc/23/91/82/576239182.db2.gz PXCLRBHVYNOLRA-JTQLQIEISA-N 0 3 297.359 1.196 20 5 CDBDHN Cc1cc(C(=O)NOC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000773548443 575823397 /nfs/dbraw/zinc/82/33/97/575823397.db2.gz BPMYRDJJHXESSX-UHFFFAOYSA-N 0 3 293.323 1.659 20 5 CDBDHN COC[C@@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749650091 576956724 /nfs/dbraw/zinc/95/67/24/576956724.db2.gz ZHBBJUZVTHFMLS-SKDRFNHKSA-N 0 3 254.286 1.253 20 5 CDBDHN Cc1cc(F)cc(C(=O)NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000758413497 577106724 /nfs/dbraw/zinc/10/67/24/577106724.db2.gz ZSWSVIWPCHQVCM-SECBINFHSA-N 0 3 283.303 1.722 20 5 CDBDHN COCCOC[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000892609304 617533062 /nfs/dbraw/zinc/53/30/62/617533062.db2.gz ZZUYSVKJFNKLPI-NSHDSACASA-N 0 3 268.313 1.736 20 5 CDBDHN CN(C)CCN(C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934011510 617840834 /nfs/dbraw/zinc/84/08/34/617840834.db2.gz MTCAROMIPYNQNL-KGLIPLIRSA-N 0 3 291.351 1.718 20 5 CDBDHN Cc1cc(C2(C(=O)OCC(C)[N+](=O)[O-])CC2)on1 ZINC000893045066 618092331 /nfs/dbraw/zinc/09/23/31/618092331.db2.gz PAYADTCXWLWKHN-MRVPVSSYSA-N 0 3 254.242 1.223 20 5 CDBDHN CN1C[C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000893941942 618206238 /nfs/dbraw/zinc/20/62/38/618206238.db2.gz XPBGCGXBULUPAU-RKDXNWHRSA-N 0 3 293.352 1.444 20 5 CDBDHN CN1C[C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])[C@@H]2C1 ZINC000893941935 618206247 /nfs/dbraw/zinc/20/62/47/618206247.db2.gz XPBGCGXBULUPAU-DTWKUNHWSA-N 0 3 293.352 1.444 20 5 CDBDHN NCc1cnnn1-c1ccc2ccc3cccnc3c2n1 ZINC001158420723 1162968617 /nfs/dbraw/zinc/96/86/17/1162968617.db2.gz XRNSTSJTTQYDOI-UHFFFAOYSA-N 0 3 276.303 1.822 20 5 CDBDHN C[C@@](O)(CNCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000698681063 1161063386 /nfs/dbraw/zinc/06/33/86/1161063386.db2.gz YKNWBDPJWKUIPE-LLVKDONJSA-N 0 3 260.240 1.701 20 5 CDBDHN Cc1c(CNC2([C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000877637435 1166070785 /nfs/dbraw/zinc/07/07/85/1166070785.db2.gz HVFXZHULTYPKER-JTQLQIEISA-N 0 3 250.298 1.906 20 5 CDBDHN COc1ccc(N[C@H]2CCN(C)C2)nc1[N+](=O)[O-] ZINC001167270403 895008140 /nfs/dbraw/zinc/00/81/40/895008140.db2.gz TXOGGJFGWMOHKW-QMMMGPOBSA-N 0 3 252.274 1.114 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC001123439662 936161865 /nfs/dbraw/zinc/16/18/65/936161865.db2.gz GTZHRCUDXIYWEC-UHFFFAOYSA-N 0 3 288.307 1.443 20 5 CDBDHN COc1ccccc1C(=O)CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980235 927569296 /nfs/dbraw/zinc/56/92/96/927569296.db2.gz CJOGSEITSZVSBX-NWDGAFQWSA-N 0 3 292.335 1.913 20 5 CDBDHN Cc1ccn2c(c1)nnc2CN[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168965299 927589797 /nfs/dbraw/zinc/58/97/97/927589797.db2.gz ZEUZDNWWYREJLW-RYUDHWBXSA-N 0 3 289.339 1.573 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CC(c3cccnc3)C2)C1 ZINC001169040140 927653296 /nfs/dbraw/zinc/65/32/96/927653296.db2.gz YFPADRQLOGUODS-RISCZKNCSA-N 0 3 261.325 1.926 20 5 CDBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056329 927672152 /nfs/dbraw/zinc/67/21/52/927672152.db2.gz RVJXZZXNDGCNCA-FPYNETTCSA-N 0 3 282.340 1.458 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934038475 933889103 /nfs/dbraw/zinc/88/91/03/933889103.db2.gz AUHUURLLFAKHBL-HZSPNIEDSA-N 0 3 296.323 1.022 20 5 CDBDHN CSCC[C@H](N)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122106548 937905642 /nfs/dbraw/zinc/90/56/42/937905642.db2.gz PXUPUPUJTWHDER-SKDRFNHKSA-N 0 3 297.380 1.852 20 5 CDBDHN COc1cc(N2C[C@@H]3CCCN(C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001157266646 938472639 /nfs/dbraw/zinc/47/26/39/938472639.db2.gz VRSGURSMRGHPQM-CMPLNLGQSA-N 0 3 292.339 1.529 20 5 CDBDHN CN(C)C1(C)CN(c2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001165117202 939511856 /nfs/dbraw/zinc/51/18/56/939511856.db2.gz BTXIBUHFHPVFDL-UHFFFAOYSA-N 0 3 287.323 1.678 20 5 CDBDHN O=[N+]([O-])c1ccc2ncnc(-n3ncc4c3CCNC4)c2c1 ZINC001165218674 939526399 /nfs/dbraw/zinc/52/63/99/939526399.db2.gz INZQRVIBQJZBAU-UHFFFAOYSA-N 0 3 296.290 1.369 20 5 CDBDHN O=[N+]([O-])c1cccc2ncnc(-n3ncc4c3CCNC4)c21 ZINC001165223639 939527690 /nfs/dbraw/zinc/52/76/90/939527690.db2.gz PZYJVHKRVQNYKO-UHFFFAOYSA-N 0 3 296.290 1.369 20 5 CDBDHN C[NH+]1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225663027 941896258 /nfs/dbraw/zinc/89/62/58/941896258.db2.gz XGVAPKNDJZXQPG-UHFFFAOYSA-N 0 3 253.258 1.168 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690464 942204768 /nfs/dbraw/zinc/20/47/68/942204768.db2.gz HHQPPCNAVPKFMB-MRVPVSSYSA-N 0 3 280.308 1.340 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cccnn1)C2 ZINC001254580274 947538726 /nfs/dbraw/zinc/53/87/26/947538726.db2.gz BWFHRDMDECGLRM-CYBMUJFWSA-N 0 3 270.292 1.642 20 5 CDBDHN N=c1ncc(CN)cn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586723 947543616 /nfs/dbraw/zinc/54/36/16/947543616.db2.gz RVRMMNZCSAQFRH-CYBMUJFWSA-N 0 3 285.307 1.069 20 5 CDBDHN Nc1cc(N2CC[C@@H](N3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC001337787857 961421108 /nfs/dbraw/zinc/42/11/08/961421108.db2.gz KKAHMOVGHZKEQC-SNVBAGLBSA-N 0 3 275.312 1.023 20 5 CDBDHN Cc1cc(NC(=O)[C@@H](N)C2CCC2)cc([N+](=O)[O-])c1 ZINC001342243955 963684622 /nfs/dbraw/zinc/68/46/22/963684622.db2.gz XUSAIZHNLJCSCG-LBPRGKRZSA-N 0 3 263.297 1.969 20 5 CDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000588085491 342492346 /nfs/dbraw/zinc/49/23/46/342492346.db2.gz LFPQBBJQDIMNKL-QWRGUYRKSA-N 0 3 279.344 1.391 20 5 CDBDHN Cc1cnc(N2CC[C@@]3(CCN(C)C3)C2)c([N+](=O)[O-])c1 ZINC000589879181 342516071 /nfs/dbraw/zinc/51/60/71/342516071.db2.gz DMEVRYDVVKWKKX-CQSZACIVSA-N 0 3 276.340 1.830 20 5 CDBDHN CN(CCc1c[nH]nn1)Cc1ccccc1[N+](=O)[O-] ZINC000590602684 342577947 /nfs/dbraw/zinc/57/79/47/342577947.db2.gz NEZOOLNDKQGWTN-UHFFFAOYSA-N 0 3 261.285 1.387 20 5 CDBDHN CCN1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000029606958 342060344 /nfs/dbraw/zinc/06/03/44/342060344.db2.gz BHJCHGNDDDOBSW-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CNCCC1(F)F ZINC000591668551 342641091 /nfs/dbraw/zinc/64/10/91/342641091.db2.gz FDWACSTUQNUFCN-NSHDSACASA-N 0 3 299.277 1.456 20 5 CDBDHN C[C@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453594130 252328225 /nfs/dbraw/zinc/32/82/25/252328225.db2.gz WOYLXDPTJIEPKU-ZDTYVGOBSA-N 0 3 289.335 1.866 20 5 CDBDHN CN(C)CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600891001 342254773 /nfs/dbraw/zinc/25/47/73/342254773.db2.gz QXJBUUPWMUEMAH-UHFFFAOYSA-N 0 3 255.249 1.025 20 5 CDBDHN COC1CCN(CCNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000080250369 342351249 /nfs/dbraw/zinc/35/12/49/342351249.db2.gz NVXCYFCAAMAACG-UHFFFAOYSA-N 0 3 294.355 1.821 20 5 CDBDHN C[C@@H]1CCN[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126469312 187242403 /nfs/dbraw/zinc/24/24/03/187242403.db2.gz QPYVZLOJOWFPFI-ZWNOBZJWSA-N 0 3 277.324 1.599 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCN1CCC(O)CC1 ZINC000294984183 199284346 /nfs/dbraw/zinc/28/43/46/199284346.db2.gz YMHKEGDWMURCDL-UHFFFAOYSA-N 0 3 279.340 1.141 20 5 CDBDHN O=c1[n-]ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000596082409 343220393 /nfs/dbraw/zinc/22/03/93/343220393.db2.gz JTKBBPQOGXRBRT-ZJUUUORDSA-N 0 3 278.312 1.734 20 5 CDBDHN O=c1[n-]ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000596082409 343220394 /nfs/dbraw/zinc/22/03/94/343220394.db2.gz JTKBBPQOGXRBRT-ZJUUUORDSA-N 0 3 278.312 1.734 20 5 CDBDHN COCCN(C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC000596105130 343227984 /nfs/dbraw/zinc/22/79/84/343227984.db2.gz PDXRHZLZCHHAKN-UHFFFAOYSA-N 0 3 273.358 1.955 20 5 CDBDHN CC(C)[N@@H+]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596093140 343234528 /nfs/dbraw/zinc/23/45/28/343234528.db2.gz SJGLFWYMXYMDHZ-SNVBAGLBSA-N 0 3 280.328 1.838 20 5 CDBDHN CC(C)[N@H+]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596093140 343234530 /nfs/dbraw/zinc/23/45/30/343234530.db2.gz SJGLFWYMXYMDHZ-SNVBAGLBSA-N 0 3 280.328 1.838 20 5 CDBDHN CC[NH+](CC)CCOCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596196998 343262813 /nfs/dbraw/zinc/26/28/13/343262813.db2.gz ZYMRXGOTMIRBLN-UHFFFAOYSA-N 0 3 298.343 1.466 20 5 CDBDHN CC[C@H](NCCN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085027 343951111 /nfs/dbraw/zinc/95/11/11/343951111.db2.gz JJILAKJWWLUDRV-CABCVRRESA-N 0 3 293.367 1.702 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](CO)[C@H](CO)C1 ZINC000599530913 344076302 /nfs/dbraw/zinc/07/63/02/344076302.db2.gz CMFITBVRBLAGKG-WOPDTQHZSA-N 0 3 280.324 1.188 20 5 CDBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000270411798 190675548 /nfs/dbraw/zinc/67/55/48/190675548.db2.gz XPJHRHLQVXKTGG-MNOVXSKESA-N 0 3 282.369 1.472 20 5 CDBDHN C[C@H]1[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343516068 362491439 /nfs/dbraw/zinc/49/14/39/362491439.db2.gz KNIUTDNPKHPKBK-WCQYABFASA-N 0 3 291.351 1.736 20 5 CDBDHN Cc1cnc(NC[C@H]2CSCCN2)c([N+](=O)[O-])c1 ZINC000603420389 344799966 /nfs/dbraw/zinc/79/99/66/344799966.db2.gz UHHVUKGMIGAZNK-VIFPVBQESA-N 0 3 268.342 1.415 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000537610118 282374360 /nfs/dbraw/zinc/37/43/60/282374360.db2.gz DPTUMYVCPHMXLB-MFKMUULPSA-N 0 3 292.339 1.100 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000293409594 362558695 /nfs/dbraw/zinc/55/86/95/362558695.db2.gz MJQKKYJEJUQFMB-BETUJISGSA-N 0 3 293.367 1.998 20 5 CDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000609833559 346004839 /nfs/dbraw/zinc/00/48/39/346004839.db2.gz NBVPDPPUSPNUSY-JTQLQIEISA-N 0 3 281.312 1.792 20 5 CDBDHN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1 ZINC000086468168 179298703 /nfs/dbraw/zinc/29/87/03/179298703.db2.gz MIMCCLWJKDYJST-IUCAKERBSA-N 0 3 281.287 1.556 20 5 CDBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020448593 348532815 /nfs/dbraw/zinc/53/28/15/348532815.db2.gz IVOGDGYCXJIQRW-UHFFFAOYSA-N 0 3 267.285 1.402 20 5 CDBDHN COc1ccc(CC(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000067906123 349041091 /nfs/dbraw/zinc/04/10/91/349041091.db2.gz LVVGDRSMIOWUSI-JTQLQIEISA-N 0 3 295.339 1.212 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000067161963 349015485 /nfs/dbraw/zinc/01/54/85/349015485.db2.gz HNQHMWWTAJXKOI-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)N(C)C)c1 ZINC000067547508 349028674 /nfs/dbraw/zinc/02/86/74/349028674.db2.gz JUFCROTWKCTPQF-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN O=C1C[C@H](NCc2ccccc2[N+](=O)[O-])CCCN1 ZINC000111826650 350500308 /nfs/dbraw/zinc/50/03/08/350500308.db2.gz VYATYROPROWOBB-LLVKDONJSA-N 0 3 263.297 1.353 20 5 CDBDHN O=C(CCCNCc1csc([N+](=O)[O-])c1)NC1CC1 ZINC000111158463 186363114 /nfs/dbraw/zinc/36/31/14/186363114.db2.gz GBEGNWTXWSDHBQ-UHFFFAOYSA-N 0 3 283.353 1.805 20 5 CDBDHN CC(C)N1CCN(CCCn2nccc2[N+](=O)[O-])CC1 ZINC000412992379 363035652 /nfs/dbraw/zinc/03/56/52/363035652.db2.gz MBDIFYMNGOXTES-UHFFFAOYSA-N 0 3 281.360 1.207 20 5 CDBDHN Cc1cc(NC[C@@H](O)CO)c2cc([N+](=O)[O-])ccc2n1 ZINC000122211058 187021018 /nfs/dbraw/zinc/02/10/18/187021018.db2.gz WDBYLQDDEFPUIG-SNVBAGLBSA-N 0 3 277.280 1.217 20 5 CDBDHN CNC(=O)C[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000268862753 366096181 /nfs/dbraw/zinc/09/61/81/366096181.db2.gz VYRAKNFAXQYCEY-VIFPVBQESA-N 0 3 281.312 1.218 20 5 CDBDHN CC(C)[C@@H](CCO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000219416870 356340804 /nfs/dbraw/zinc/34/08/04/356340804.db2.gz JPLGSQLGGDKKKT-GFCCVEGCSA-N 0 3 297.311 2.000 20 5 CDBDHN Cc1cc(NC[C@@]2(O)CCN(C)C2)c(F)cc1[N+](=O)[O-] ZINC000360047312 356476204 /nfs/dbraw/zinc/47/62/04/356476204.db2.gz LANIVWDKOSOVMP-ZDUSSCGKSA-N 0 3 283.303 1.521 20 5 CDBDHN O=[N+]([O-])c1cc(CNCCC2CC(O)C2)cs1 ZINC000432369798 357253056 /nfs/dbraw/zinc/25/30/56/357253056.db2.gz XEHNRUDFXOLFLX-UHFFFAOYSA-N 0 3 256.327 1.907 20 5 CDBDHN Nc1ccc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000287225418 358338481 /nfs/dbraw/zinc/33/84/81/358338481.db2.gz IYPACLCILIDSPR-LBPRGKRZSA-N 0 3 274.324 1.628 20 5 CDBDHN C[C@H](O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000162836179 358837959 /nfs/dbraw/zinc/83/79/59/358837959.db2.gz FYFUVYQAAYWIFJ-WDEREUQCSA-N 0 3 250.298 1.798 20 5 CDBDHN CO[C@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847987 359085134 /nfs/dbraw/zinc/08/51/34/359085134.db2.gz JJAMOIOZLIEJPY-OLZOCXBDSA-N 0 3 294.355 1.681 20 5 CDBDHN CC[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000338198804 359097924 /nfs/dbraw/zinc/09/79/24/359097924.db2.gz IWJSTOWHCMIEGP-CYBMUJFWSA-N 0 3 294.355 1.463 20 5 CDBDHN Cc1ccc(CNCCn2cccn2)cc1[N+](=O)[O-] ZINC000048449460 359207136 /nfs/dbraw/zinc/20/71/36/359207136.db2.gz WKHIZQAGJPMDID-UHFFFAOYSA-N 0 3 260.297 1.890 20 5 CDBDHN CCN(C)CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000112926514 359366775 /nfs/dbraw/zinc/36/67/75/359366775.db2.gz SKUWGGLMQNMROZ-CMDGGOBGSA-N 0 3 277.324 1.676 20 5 CDBDHN CN1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297976306 200311625 /nfs/dbraw/zinc/31/16/25/200311625.db2.gz VTYUCRKYHGKFRI-UHFFFAOYSA-N 0 3 279.340 1.611 20 5 CDBDHN CCc1nn(C)c(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000575155314 360972288 /nfs/dbraw/zinc/97/22/88/360972288.db2.gz ILSOLKSMEJJRCY-ZJUUUORDSA-N 0 3 293.371 1.928 20 5 CDBDHN Cc1c(CN2C[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000351795637 364010086 /nfs/dbraw/zinc/01/00/86/364010086.db2.gz OCGROWQYHJWIAX-ZANVPECISA-N 0 3 250.298 1.716 20 5 CDBDHN C[C@@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000545397651 364071021 /nfs/dbraw/zinc/07/10/21/364071021.db2.gz QYIJHWVVUUIUBO-ZDUSSCGKSA-N 0 3 250.298 1.942 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H]1CN1CCCC1 ZINC000581896812 364051887 /nfs/dbraw/zinc/05/18/87/364051887.db2.gz ZOTDWFHDAGTFCN-NSHDSACASA-N 0 3 292.339 1.623 20 5 CDBDHN Cc1nc(N[C@@H]2CCN(C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000582527515 364141287 /nfs/dbraw/zinc/14/12/87/364141287.db2.gz BWMBEOOBFXOPNO-WCBMZHEXSA-N 0 3 265.317 1.588 20 5 CDBDHN CC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000270957391 366946044 /nfs/dbraw/zinc/94/60/44/366946044.db2.gz UNRJPBJVANXONS-MFKMUULPSA-N 0 3 250.298 1.798 20 5 CDBDHN CN1CCN(CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000270971880 366947603 /nfs/dbraw/zinc/94/76/03/366947603.db2.gz AVSDCGGDRQYRIZ-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN COCCNCCNCc1ccc([N+](=O)[O-])cc1F ZINC000414869236 370919080 /nfs/dbraw/zinc/91/90/80/370919080.db2.gz FUBUHBZFQYSNEL-UHFFFAOYSA-N 0 3 271.292 1.060 20 5 CDBDHN CN1CC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000037647674 369496569 /nfs/dbraw/zinc/49/65/69/369496569.db2.gz MMXDWXFLTFTTDP-MRVPVSSYSA-N 0 3 281.341 1.668 20 5 CDBDHN C[C@H](NCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037751776 370055972 /nfs/dbraw/zinc/05/59/72/370055972.db2.gz OLANFALRJAQMRQ-JTQLQIEISA-N 0 3 265.313 1.724 20 5 CDBDHN CCC[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766538 370079400 /nfs/dbraw/zinc/07/94/00/370079400.db2.gz YXMFVAFOOVEBCS-JOYOIKCWSA-N 0 3 265.313 1.899 20 5 CDBDHN CN(C)CC[C@@](C)(O)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000352121157 371218417 /nfs/dbraw/zinc/21/84/17/371218417.db2.gz OIKDTJFHNOYCSU-CQSZACIVSA-N 0 3 295.339 1.027 20 5 CDBDHN CS[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000296038652 372493025 /nfs/dbraw/zinc/49/30/25/372493025.db2.gz AJYZQOTUAOPHAF-SECBINFHSA-N 0 3 256.331 1.229 20 5 CDBDHN C[C@]1(O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269637984 373231295 /nfs/dbraw/zinc/23/12/95/373231295.db2.gz HYOSVBUZWVVLDA-OLZOCXBDSA-N 0 3 266.297 1.085 20 5 CDBDHN CCC[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810247 373400332 /nfs/dbraw/zinc/40/03/32/373400332.db2.gz MPDQLAZZSHFZTO-NSHDSACASA-N 0 3 265.313 1.681 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC1CC(O)C1 ZINC000091491232 374001236 /nfs/dbraw/zinc/00/12/36/374001236.db2.gz XYDYTSZSGVLOOQ-UHFFFAOYSA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@@H]1C[C@@H](CO)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420943745 374308033 /nfs/dbraw/zinc/30/80/33/374308033.db2.gz QEPHQHMBOBXDCL-CHWSQXEVSA-N 0 3 294.351 1.924 20 5 CDBDHN Cc1c(NC(=O)CCN(C)CCO)cccc1[N+](=O)[O-] ZINC000299236898 374585337 /nfs/dbraw/zinc/58/53/37/374585337.db2.gz SKMMHWWSBNCDBK-UHFFFAOYSA-N 0 3 281.312 1.156 20 5 CDBDHN Cc1cc(NC(=O)N2CCCNCC2)ccc1[N+](=O)[O-] ZINC000332353024 375028939 /nfs/dbraw/zinc/02/89/39/375028939.db2.gz RUFZROKXHDVGII-UHFFFAOYSA-N 0 3 278.312 1.730 20 5 CDBDHN COC[C@H](O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000282722558 375100460 /nfs/dbraw/zinc/10/04/60/375100460.db2.gz RXLLPMNPHSWIHW-FVOPLDGLSA-N 0 3 266.297 1.205 20 5 CDBDHN COc1ccc(CNCC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000096479187 375104263 /nfs/dbraw/zinc/10/42/63/375104263.db2.gz ZIYKIMIIWXQPPP-UHFFFAOYSA-N 0 3 280.324 1.998 20 5 CDBDHN COCCN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000350617664 375219329 /nfs/dbraw/zinc/21/93/29/375219329.db2.gz GZVHJTZHUBPOFU-GFCCVEGCSA-N 0 3 297.330 1.544 20 5 CDBDHN CN(C)C[C@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000162148581 375281010 /nfs/dbraw/zinc/28/10/10/375281010.db2.gz SVWVXLNXXOYKHW-CYBMUJFWSA-N 0 3 296.327 1.029 20 5 CDBDHN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000057308098 375413992 /nfs/dbraw/zinc/41/39/92/375413992.db2.gz AOCVPNXQSZWWML-LLVKDONJSA-N 0 3 277.324 1.809 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@]3(CCOC3)C2)c1 ZINC000305166786 375563277 /nfs/dbraw/zinc/56/32/77/375563277.db2.gz HWZIAXUXUGYZPZ-LSDHHAIUSA-N 0 3 292.335 1.741 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000057703183 375564570 /nfs/dbraw/zinc/56/45/70/375564570.db2.gz IOPNLXVWWBNXDY-VIFPVBQESA-N 0 3 295.314 1.946 20 5 CDBDHN COc1c(C(=O)NC[C@@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000354431975 375709911 /nfs/dbraw/zinc/70/99/11/375709911.db2.gz SZWHRFAJPLPTHT-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C(N)=O)C1 ZINC000347353779 375811884 /nfs/dbraw/zinc/81/18/84/375811884.db2.gz HJRYCEMNVBFPRB-YLBKJLTLSA-N 0 3 289.335 1.805 20 5 CDBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000356253775 375829406 /nfs/dbraw/zinc/82/94/06/375829406.db2.gz NBPHFEQMXFWQOD-NSHDSACASA-N 0 3 294.355 1.917 20 5 CDBDHN CN[C@@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000054075095 376576957 /nfs/dbraw/zinc/57/69/57/376576957.db2.gz NWAFZUJBAPBRND-VIFPVBQESA-N 0 3 251.286 1.161 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000264458506 190111082 /nfs/dbraw/zinc/11/10/82/190111082.db2.gz XMEXMDGIJUCHFD-SECBINFHSA-N 0 3 283.353 1.823 20 5 CDBDHN COCC[C@](C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000172072152 377240220 /nfs/dbraw/zinc/24/02/20/377240220.db2.gz WOJBXAVPROUTPN-NSHDSACASA-N 0 3 274.342 1.533 20 5 CDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)NCCN1CCCCC1 ZINC000173100216 377921706 /nfs/dbraw/zinc/92/17/06/377921706.db2.gz LIMFGTWVBPKVSB-UHFFFAOYSA-N 0 3 291.351 1.739 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NCCN1CCCC(C)(C)C1 ZINC000443963133 250065927 /nfs/dbraw/zinc/06/59/27/250065927.db2.gz OCCVAACZHIQPFL-UHFFFAOYSA-N 0 3 281.360 1.862 20 5 CDBDHN COCC[C@@]1(NCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000447085298 250339781 /nfs/dbraw/zinc/33/97/81/250339781.db2.gz HXBVPTMZEWPRHF-CQSZACIVSA-N 0 3 280.324 1.880 20 5 CDBDHN CCOC[C@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447538393 250383488 /nfs/dbraw/zinc/38/34/88/250383488.db2.gz BXISFNQHQXYXFI-UKRRQHHQSA-N 0 3 294.351 1.959 20 5 CDBDHN Cc1c([C@@H](C)N[C@@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000268812989 190435906 /nfs/dbraw/zinc/43/59/06/190435906.db2.gz HOQNPRKLUVOZGM-GHMZBOCLSA-N 0 3 277.324 1.785 20 5 CDBDHN CO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000281819789 195395746 /nfs/dbraw/zinc/39/57/46/195395746.db2.gz WUPZKWAOPDTHKE-PWSUYJOCSA-N 0 3 268.317 1.291 20 5 CDBDHN C[C@H](NCCNC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000135794475 390873359 /nfs/dbraw/zinc/87/33/59/390873359.db2.gz PGDYDKLDHAFDMJ-JTQLQIEISA-N 0 3 277.324 1.772 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CNCCC1(F)F ZINC000415009381 391240285 /nfs/dbraw/zinc/24/02/85/391240285.db2.gz XFDCKZJPKVIBQS-LBPRGKRZSA-N 0 3 285.294 1.990 20 5 CDBDHN CC(C)c1ccc(CN[C@H](CO)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000419810096 392896984 /nfs/dbraw/zinc/89/69/84/392896984.db2.gz LFAFBAWHZAVLDQ-ZWNOBZJWSA-N 0 3 282.340 1.550 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000524720012 392918037 /nfs/dbraw/zinc/91/80/37/392918037.db2.gz UPONKAMDMOZIEF-SNVBAGLBSA-N 0 3 280.328 1.005 20 5 CDBDHN Cc1cc(N2CC[C@@H]3CCN(C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000272188311 393014088 /nfs/dbraw/zinc/01/40/88/393014088.db2.gz LQHAAXULGDHQDB-WCQYABFASA-N 0 3 276.340 1.829 20 5 CDBDHN O=C(N[C@H]1CNCCC1(F)F)c1csc([N+](=O)[O-])c1 ZINC000449660082 393137045 /nfs/dbraw/zinc/13/70/45/393137045.db2.gz DYPJIJZNGJABHL-ZETCQYMHSA-N 0 3 291.279 1.383 20 5 CDBDHN Cc1cc(N2C[C@@H](C)NC[C@H]2C)ncc1[N+](=O)[O-] ZINC000252639087 393315838 /nfs/dbraw/zinc/31/58/38/393315838.db2.gz JLLYEORFQJFMSZ-NXEZZACHSA-N 0 3 250.302 1.485 20 5 CDBDHN CCCC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236724395 140243009 /nfs/dbraw/zinc/24/30/09/140243009.db2.gz GCJMEUJQYPRDSU-CQSZACIVSA-N 0 3 291.351 1.997 20 5 CDBDHN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251890654 140313634 /nfs/dbraw/zinc/31/36/34/140313634.db2.gz XAIUYSPUMBHSSP-ZWNOBZJWSA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@@H](NC(=O)[C@]1(F)CCNC1)c1cccc([N+](=O)[O-])c1 ZINC000178401314 148058510 /nfs/dbraw/zinc/05/85/10/148058510.db2.gz ZJNLKIMTVSURFU-RNCFNFMXSA-N 0 3 281.287 1.474 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1O ZINC000352668281 155342299 /nfs/dbraw/zinc/34/22/99/155342299.db2.gz QSPVNNXZDLJYDG-OLZOCXBDSA-N 0 3 250.298 1.940 20 5 CDBDHN C[C@H](CN(C)C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343785423 152302150 /nfs/dbraw/zinc/30/21/50/152302150.db2.gz ATSHJIIXWDYINB-MRVPVSSYSA-N 0 3 266.301 1.056 20 5 CDBDHN CSc1cccc(C(=O)N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000346176671 153084522 /nfs/dbraw/zinc/08/45/22/153084522.db2.gz KOUMCWCJTZTJEQ-VIFPVBQESA-N 0 3 297.380 1.997 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000346224292 153103511 /nfs/dbraw/zinc/10/35/11/153103511.db2.gz NHPJGBDWYQVRFN-JTQLQIEISA-N 0 3 281.312 1.040 20 5 CDBDHN C[C@H]1CCN(C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000354006127 156220289 /nfs/dbraw/zinc/22/02/89/156220289.db2.gz KRYRSVMFHPFFJV-LBPRGKRZSA-N 0 3 291.351 1.690 20 5 CDBDHN C[C@]1(C(N)=O)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355670262 157176667 /nfs/dbraw/zinc/17/66/67/157176667.db2.gz JMJGYAJPGSLWNG-VOKGJARPSA-N 0 3 289.335 1.805 20 5 CDBDHN CC[C@H](NC[C@@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270549 176103899 /nfs/dbraw/zinc/10/38/99/176103899.db2.gz VLCDRUIJLIRHQL-OLZOCXBDSA-N 0 3 268.313 1.643 20 5 CDBDHN CCN1CCN([C@H](C)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000190316561 270283232 /nfs/dbraw/zinc/28/32/32/270283232.db2.gz OFTKOECNBSTDAG-SNVBAGLBSA-N 0 3 299.400 1.489 20 5 CDBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H](C)O ZINC000395446626 270343283 /nfs/dbraw/zinc/34/32/83/270343283.db2.gz XNVWVDKTRCXDNY-PELKAZGASA-N 0 3 256.277 1.983 20 5 CDBDHN N[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000399163185 270369806 /nfs/dbraw/zinc/36/98/06/270369806.db2.gz DETSADQWATUUHA-GFCCVEGCSA-N 0 3 263.297 1.338 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(N2CCO[C@@H](CN(C)C)C2)c1 ZINC000266445746 274118431 /nfs/dbraw/zinc/11/84/31/274118431.db2.gz WRUIMRUVIZZUEG-LBPRGKRZSA-N 0 3 295.339 1.370 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559802 274335222 /nfs/dbraw/zinc/33/52/22/274335222.db2.gz BIZCKMONUAWHGO-MWLCHTKSSA-N 0 3 265.317 1.161 20 5 CDBDHN CCN1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265148789 276165268 /nfs/dbraw/zinc/16/52/68/276165268.db2.gz AVISKPHKCDLGOS-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN Cc1cc(N2CC(N(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000292612442 278706759 /nfs/dbraw/zinc/70/67/59/278706759.db2.gz MZRSNVBOXYVDHU-UHFFFAOYSA-N 0 3 253.277 1.793 20 5 CDBDHN CC[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552107 279279336 /nfs/dbraw/zinc/27/93/36/279279336.db2.gz ULPOUZVRMIHGGA-LLVKDONJSA-N 0 3 265.313 1.488 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCC[C@H]2CO)cc1 ZINC000230677932 280118024 /nfs/dbraw/zinc/11/80/24/280118024.db2.gz VIHFRWVTBSCTGN-AAEUAGOBSA-N 0 3 250.298 1.845 20 5 CDBDHN COC[C@](C)(O)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532498939 281991604 /nfs/dbraw/zinc/99/16/04/281991604.db2.gz WBXVNNIPVRWVJS-BXUZGUMPSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1c([N+](=O)[O-])ncn1C ZINC000568309880 294014772 /nfs/dbraw/zinc/01/47/72/294014772.db2.gz ZEJKOCPRSPOQPP-QWRGUYRKSA-N 0 3 279.344 1.391 20 5 CDBDHN CS[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270375188 295651171 /nfs/dbraw/zinc/65/11/71/295651171.db2.gz NVVQYJXICAPWPL-VXGBXAGGSA-N 0 3 296.396 1.780 20 5 CDBDHN CN1CC[C@@H](c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)C1 ZINC000350160105 316150490 /nfs/dbraw/zinc/15/04/90/316150490.db2.gz LJKCVNSQHJPGDR-SECBINFHSA-N 0 3 289.295 1.383 20 5 CDBDHN CN1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000580047976 324350221 /nfs/dbraw/zinc/35/02/21/324350221.db2.gz FVJCFYQLSSVGPX-KCJUWKMLSA-N 0 3 266.276 1.269 20 5 CDBDHN CC1(CO)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000762626474 576659148 /nfs/dbraw/zinc/65/91/48/576659148.db2.gz WDOVJMOFSHQSBR-CQSZACIVSA-N 0 3 294.351 1.723 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cccnc2)c1 ZINC000749644972 576956639 /nfs/dbraw/zinc/95/66/39/576956639.db2.gz GHYDQXBHDZYGRJ-AWEZNQCLSA-N 0 3 273.292 1.813 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccc(F)c(Br)c1 ZINC000899873309 622503017 /nfs/dbraw/zinc/50/30/17/622503017.db2.gz MMFBAAFGMCSODV-UHFFFAOYSA-N 0 3 291.120 1.997 20 5 CDBDHN C[C@@H](NCC[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000905133641 626647978 /nfs/dbraw/zinc/64/79/78/626647978.db2.gz QXSHEIHIBAHEEM-UKRRQHHQSA-N 0 3 293.367 1.142 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000311859832 679567220 /nfs/dbraw/zinc/56/72/20/679567220.db2.gz QHAXZVXPQMHLKB-NSHDSACASA-N 0 3 263.297 1.338 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](N)CC1CC1)CC2 ZINC000884331471 677933230 /nfs/dbraw/zinc/93/32/30/677933230.db2.gz OMDIZSQWRFHWBN-GFCCVEGCSA-N 0 3 289.335 1.920 20 5 CDBDHN Cc1ccc2[nH]c(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nc2c1 ZINC000839694327 678147388 /nfs/dbraw/zinc/14/73/88/678147388.db2.gz OCLNYVRNDOGKDO-LDYMZIIASA-N 0 3 274.280 1.153 20 5 CDBDHN Cc1ccc2nc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])[nH]c2c1 ZINC000839694327 678147399 /nfs/dbraw/zinc/14/73/99/678147399.db2.gz OCLNYVRNDOGKDO-LDYMZIIASA-N 0 3 274.280 1.153 20 5 CDBDHN Cc1nccn1CCCCOC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840669705 677968113 /nfs/dbraw/zinc/96/81/13/677968113.db2.gz IOGDQHKRSZJLHH-GHMZBOCLSA-N 0 3 267.285 1.180 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCC[C@@H]2CO)cc1 ZINC000776579262 678102669 /nfs/dbraw/zinc/10/26/69/678102669.db2.gz LGVQOERTMXKKCC-ZIAGYGMSSA-N 0 3 280.324 1.475 20 5 CDBDHN CCOCCN(CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583129 678912375 /nfs/dbraw/zinc/91/23/75/678912375.db2.gz XFSTVHLIXRWMBE-CQSZACIVSA-N 0 3 282.340 1.987 20 5 CDBDHN CCCN(CCN(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823124630 678930098 /nfs/dbraw/zinc/93/00/98/678930098.db2.gz OFCHFOCGRLKMJU-UHFFFAOYSA-N 0 3 273.377 1.622 20 5 CDBDHN CC(COC(=O)c1c[nH]nc1-c1ccsc1)[N+](=O)[O-] ZINC000813106611 678929483 /nfs/dbraw/zinc/92/94/83/678929483.db2.gz FEKLHVBWRHAIFQ-ZETCQYMHSA-N 0 3 281.293 1.960 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000829593562 678956135 /nfs/dbraw/zinc/95/61/35/678956135.db2.gz QJDJQGZABNQFCZ-YUELXQCFSA-N 0 3 292.335 1.739 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCc3ncncc3C2)cc1 ZINC000880595656 678962529 /nfs/dbraw/zinc/96/25/29/678962529.db2.gz UBYJUYCKXMEKAR-UHFFFAOYSA-N 0 3 284.319 1.986 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1-c1ccncc1)[N+](=O)[O-] ZINC000813105533 679029382 /nfs/dbraw/zinc/02/93/82/679029382.db2.gz ODZCTRKGVNFNSS-SECBINFHSA-N 0 3 290.279 1.304 20 5 CDBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@](C)(O)CN(C)C ZINC000808005732 679074530 /nfs/dbraw/zinc/07/45/30/679074530.db2.gz RZBORFUXMKVPDT-AWEZNQCLSA-N 0 3 295.339 1.522 20 5 CDBDHN O=C(NC1CN(CCC2=CCCCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294155 679173469 /nfs/dbraw/zinc/17/34/69/679173469.db2.gz YRZCIKKIAHDFBV-ZIAGYGMSSA-N 0 3 293.367 1.343 20 5 CDBDHN CC(COC(=O)CCNC(=O)c1cccs1)[N+](=O)[O-] ZINC000813104205 679227739 /nfs/dbraw/zinc/22/77/39/679227739.db2.gz YAJAAOQRBOPLSK-MRVPVSSYSA-N 0 3 286.309 1.076 20 5 CDBDHN CCN1CCN(CCNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881797489 679361128 /nfs/dbraw/zinc/36/11/28/679361128.db2.gz YFANQRNLWLTTIA-UHFFFAOYSA-N 0 3 297.334 1.178 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)CCC(=O)N2C)[N+](=O)[O-] ZINC000813103065 679452886 /nfs/dbraw/zinc/45/28/86/679452886.db2.gz MRJBJYVTCJDAHS-SECBINFHSA-N 0 3 292.291 1.418 20 5 CDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])oc2c1C(=O)CCC2 ZINC000813110328 679503738 /nfs/dbraw/zinc/50/37/38/679503738.db2.gz XYSVPLYUTFMZSK-SSDOTTSWSA-N 0 3 281.264 1.929 20 5 CDBDHN CC(C)(CCC(=O)N1CCNC(C)(C)C1)[N+](=O)[O-] ZINC000826805149 679649479 /nfs/dbraw/zinc/64/94/79/679649479.db2.gz NHULIMJVCVPZBN-UHFFFAOYSA-N 0 3 257.334 1.032 20 5 CDBDHN CC(C)N1CC(Nc2cc3c(cc2[N+](=O)[O-])CNC3)C1 ZINC001168314374 908985373 /nfs/dbraw/zinc/98/53/73/908985373.db2.gz MKQRUDWJKSYRKT-UHFFFAOYSA-N 0 3 276.340 1.703 20 5 CDBDHN C[C@H](N)c1ccn(-c2ccc3ncc([N+](=O)[O-])n3c2)n1 ZINC001169234617 927848061 /nfs/dbraw/zinc/84/80/61/927848061.db2.gz ZKMSQSLKBPYKKE-QMMMGPOBSA-N 0 3 272.268 1.448 20 5 CDBDHN CCOc1cc(-n2nncc2CN)ccc1[N+](=O)[O-] ZINC001169312197 927917738 /nfs/dbraw/zinc/91/77/38/927917738.db2.gz RFRDIEJCOINLRA-UHFFFAOYSA-N 0 3 263.257 1.033 20 5 CDBDHN Cc1c(C)c([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CNCCO1 ZINC001159498457 930307400 /nfs/dbraw/zinc/30/74/00/930307400.db2.gz LULVCUJUIMPXBJ-ZYHUDNBSSA-N 0 3 280.328 1.395 20 5 CDBDHN CC(C)(C)N1CC[C@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000845733446 931891042 /nfs/dbraw/zinc/89/10/42/931891042.db2.gz BCVHKLMTFQLGLM-JTQLQIEISA-N 0 3 296.327 1.207 20 5 CDBDHN CC(C)Oc1nc(-n2cnc(CN)c2)ccc1[N+](=O)[O-] ZINC001154911117 937604379 /nfs/dbraw/zinc/60/43/79/937604379.db2.gz UYIKBFMICSEIEN-UHFFFAOYSA-N 0 3 277.284 1.421 20 5 CDBDHN CC(COC(=O)c1nccc2occc21)[N+](=O)[O-] ZINC001122885952 936078839 /nfs/dbraw/zinc/07/88/39/936078839.db2.gz XFGHLFABPGFBPF-ZETCQYMHSA-N 0 3 250.210 1.650 20 5 CDBDHN CC(COC(=O)C[C@@H]1CC(=O)Nc2ccccc21)[N+](=O)[O-] ZINC001123042981 936106850 /nfs/dbraw/zinc/10/68/50/936106850.db2.gz UXJLNDBFSCTNGI-UWVGGRQHSA-N 0 3 292.291 1.711 20 5 CDBDHN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCCN1C ZINC001120972280 937850700 /nfs/dbraw/zinc/85/07/00/937850700.db2.gz PRCNUQAQCABDAG-JTQLQIEISA-N 0 3 280.328 1.895 20 5 CDBDHN CCC1([N-]c2nc(Cl)ncc2[N+](=O)[O-])C[NH2+]C1 ZINC001157777868 938544755 /nfs/dbraw/zinc/54/47/55/938544755.db2.gz XEFOPOGPKQKVTN-UHFFFAOYSA-N 0 3 257.681 1.202 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2CNCCO2)n1 ZINC001159498690 938734663 /nfs/dbraw/zinc/73/46/63/938734663.db2.gz MEFSCDOAAUJACY-MNOVXSKESA-N 0 3 280.328 1.395 20 5 CDBDHN NCc1cn(-c2ccc3cc([N+](=O)[O-])ccc3n2)cn1 ZINC001162296832 938973320 /nfs/dbraw/zinc/97/33/20/938973320.db2.gz NWKSEGVCXCHGOF-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN CC(=O)Nc1ccc(-n2nccc2CN)cc1[N+](=O)[O-] ZINC001162598385 939100210 /nfs/dbraw/zinc/10/02/10/939100210.db2.gz WTWBSVXZXIEYSM-UHFFFAOYSA-N 0 3 275.268 1.198 20 5 CDBDHN C[C@H](N)c1nc2ccccc2n1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001162765382 939134943 /nfs/dbraw/zinc/13/49/43/939134943.db2.gz FKNZSSWYTBVYLK-VIFPVBQESA-N 0 3 299.290 1.587 20 5 CDBDHN COc1cc(C)c([N+](=O)[O-])cc1-n1nc(CN)cc1C ZINC001163984803 939371356 /nfs/dbraw/zinc/37/13/56/939371356.db2.gz BPNXVVYIJFWXDL-UHFFFAOYSA-N 0 3 276.296 1.865 20 5 CDBDHN O=[N+]([O-])c1c(Cl)ccnc1-n1ncc2c1CCNC2 ZINC001165218212 939526020 /nfs/dbraw/zinc/52/60/20/939526020.db2.gz KNKWRHSAFMJDRV-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN O=[N+]([O-])c1c[nH]c2ccc(-n3ncc4c3CCNC4)nc21 ZINC001165219045 939526320 /nfs/dbraw/zinc/52/63/20/939526320.db2.gz OVYLVGUHVKCJDL-UHFFFAOYSA-N 0 3 284.279 1.303 20 5 CDBDHN Cc1cc(O[C@@H]2CN3C[C@H]2NCC3)c(C)c(C)c1[N+](=O)[O-] ZINC001218111441 941040432 /nfs/dbraw/zinc/04/04/32/941040432.db2.gz BHYFTVGDXOVXFO-TZMCWYRMSA-N 0 3 291.351 1.555 20 5 CDBDHN O=[N+]([O-])c1ncccc1OC1CCN(C2CC2)CC1 ZINC001225629260 941891476 /nfs/dbraw/zinc/89/14/76/941891476.db2.gz IFHKWIHIEQSATG-UHFFFAOYSA-N 0 3 263.297 1.995 20 5 CDBDHN CCN1CC[C@H](Oc2cccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001227894892 942241297 /nfs/dbraw/zinc/24/12/97/942241297.db2.gz RAYCVQWPTHIXOJ-JTQLQIEISA-N 0 3 294.307 1.854 20 5 CDBDHN CCN1CC[C@@H](Oc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001228769318 942373204 /nfs/dbraw/zinc/37/32/04/942373204.db2.gz QCTVALOOHDJECR-GFCCVEGCSA-N 0 3 294.307 1.854 20 5 CDBDHN COC(=O)c1cc(OC2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC001228769782 942373222 /nfs/dbraw/zinc/37/32/22/942373222.db2.gz ZWNNCRSCARMGOD-UHFFFAOYSA-N 0 3 294.307 1.854 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C ZINC001262652768 943657594 /nfs/dbraw/zinc/65/75/94/943657594.db2.gz PKYHSENXQMTHFQ-SNVBAGLBSA-N 0 3 280.328 1.147 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1COC(=O)C1 ZINC001254539726 947519276 /nfs/dbraw/zinc/51/92/76/947519276.db2.gz KEGRZBGURTXOAL-KOLCDFICSA-N 0 3 264.281 1.431 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCC1OCCO1)C2 ZINC001254575485 947535183 /nfs/dbraw/zinc/53/51/83/947535183.db2.gz QXVOKROEYFNDPC-NSHDSACASA-N 0 3 264.281 1.025 20 5 CDBDHN CCOC(=O)[C@]1(C(C)C)CCN(CC[N+](=O)[O-])C1 ZINC001341392958 963394988 /nfs/dbraw/zinc/39/49/88/963394988.db2.gz NKPDKCUSNDIAFG-GFCCVEGCSA-N 0 3 258.318 1.174 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H]1C[C@@H](CO)C1)OCCO2 ZINC000601139393 342479694 /nfs/dbraw/zinc/47/96/94/342479694.db2.gz CJCDIPCEUJPKSF-JGZJWPJOSA-N 0 3 294.307 1.227 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1COCC[C@H]1O ZINC000601306403 342551235 /nfs/dbraw/zinc/55/12/35/342551235.db2.gz IAAQAWPIBXTCHN-ZLKJLUDKSA-N 0 3 280.324 1.704 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CCN(C)[C@H]2C1 ZINC000590719079 342585758 /nfs/dbraw/zinc/58/57/58/342585758.db2.gz OKGIWTVDEUCYCM-PWSUYJOCSA-N 0 3 262.313 1.439 20 5 CDBDHN COCCCN1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000608885799 342082844 /nfs/dbraw/zinc/08/28/44/342082844.db2.gz NNNIJAJNWSKORR-UHFFFAOYSA-N 0 3 294.355 1.903 20 5 CDBDHN O=C1NCCC[C@@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000590971825 342612388 /nfs/dbraw/zinc/61/23/88/342612388.db2.gz OHASDIFWITWNAT-VUUYWXRKSA-N 0 3 289.335 1.724 20 5 CDBDHN COC[C@H]1C[C@@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000593065733 342761650 /nfs/dbraw/zinc/76/16/50/342761650.db2.gz AJUOOLBLNZIDFT-CHWSQXEVSA-N 0 3 296.323 1.055 20 5 CDBDHN COCc1csc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000594931454 342975220 /nfs/dbraw/zinc/97/52/20/342975220.db2.gz OPZUIGRGRXCWHY-UHFFFAOYSA-N 0 3 296.352 1.789 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)O ZINC000595005290 342995726 /nfs/dbraw/zinc/99/57/26/342995726.db2.gz BHPIEXKEGAYDJQ-IUCAKERBSA-N 0 3 254.286 1.635 20 5 CDBDHN Cc1noc(CN2CC[C@@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000595504753 343079439 /nfs/dbraw/zinc/07/94/39/343079439.db2.gz INFJRHXRAMZDSI-AWEZNQCLSA-N 0 3 294.355 1.809 20 5 CDBDHN Cc1noc(CN2CCN(C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595507148 343080030 /nfs/dbraw/zinc/08/00/30/343080030.db2.gz KNNVBQDWEBGOFH-SNVBAGLBSA-N 0 3 294.355 1.807 20 5 CDBDHN CN(C)CCN(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342929714 362088449 /nfs/dbraw/zinc/08/84/49/362088449.db2.gz RAAMDEPARXIIOL-UHFFFAOYSA-N 0 3 290.323 1.710 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H](N2CCCC2)C1 ZINC000079403898 342344152 /nfs/dbraw/zinc/34/41/52/342344152.db2.gz MZCRMMJVKICFDB-LLVKDONJSA-N 0 3 292.339 1.623 20 5 CDBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596048724 343218510 /nfs/dbraw/zinc/21/85/10/343218510.db2.gz CNNKCSLNRPNIFC-NSHDSACASA-N 0 3 292.339 1.590 20 5 CDBDHN CC[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596063165 343223914 /nfs/dbraw/zinc/22/39/14/343223914.db2.gz UDXKPNJHWBRINE-UHFFFAOYSA-N 0 3 266.301 1.592 20 5 CDBDHN CN1CCC[C@@]2(CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)C1 ZINC000596244391 343285690 /nfs/dbraw/zinc/28/56/90/343285690.db2.gz QUSDPEPSEIKWAV-CQSZACIVSA-N 0 3 291.355 1.494 20 5 CDBDHN C[NH+](C)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596223974 343271424 /nfs/dbraw/zinc/27/14/24/343271424.db2.gz VNXZTLSIMYXZEI-UHFFFAOYSA-N 0 3 266.301 1.592 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)C(C)(C)C ZINC000090564435 342396465 /nfs/dbraw/zinc/39/64/65/342396465.db2.gz AYFBJPVCFHMFJG-GFCCVEGCSA-N 0 3 297.355 1.095 20 5 CDBDHN COC(=O)[C@H]1C[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000597244306 343481443 /nfs/dbraw/zinc/48/14/43/343481443.db2.gz QVTDYWWKLWODGV-HAQNSBGRSA-N 0 3 278.308 1.944 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000598341450 343770223 /nfs/dbraw/zinc/77/02/23/343770223.db2.gz BTTKPOQOTLURJJ-SECBINFHSA-N 0 3 266.301 1.137 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)C(C)(C)C ZINC000269669197 529939721 /nfs/dbraw/zinc/93/97/21/529939721.db2.gz QWGDNGMJLYGGIX-NSHDSACASA-N 0 3 270.333 1.130 20 5 CDBDHN CC[C@@H](NCCN1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599092513 343952805 /nfs/dbraw/zinc/95/28/05/343952805.db2.gz JJILAKJWWLUDRV-LSDHHAIUSA-N 0 3 293.367 1.702 20 5 CDBDHN Cc1cc(NCCN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599176301 343966050 /nfs/dbraw/zinc/96/60/50/343966050.db2.gz QFKGVUURKMZFMQ-GFCCVEGCSA-N 0 3 265.313 1.382 20 5 CDBDHN Cc1ccc(NCCN2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599176758 343968311 /nfs/dbraw/zinc/96/83/11/343968311.db2.gz WTHGBIPUSGGOLC-LLVKDONJSA-N 0 3 265.313 1.382 20 5 CDBDHN CC(C)N1C[C@H](NCCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000602551351 344464745 /nfs/dbraw/zinc/46/47/45/344464745.db2.gz CHYOQRHIQGMLGP-CYBMUJFWSA-N 0 3 291.351 1.736 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@@H](O)C2)cc1 ZINC000265120296 344999691 /nfs/dbraw/zinc/99/96/91/344999691.db2.gz FKYRLUVGUBOJGR-GFCCVEGCSA-N 0 3 266.297 1.430 20 5 CDBDHN CCOCC(C)(C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000293363636 362549653 /nfs/dbraw/zinc/54/96/53/362549653.db2.gz UTILZHANJKJYJE-UHFFFAOYSA-N 0 3 283.328 1.161 20 5 CDBDHN CN(C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129347041 345318001 /nfs/dbraw/zinc/31/80/01/345318001.db2.gz BNPXKLMKGGNUNS-UHFFFAOYSA-N 0 3 271.704 1.540 20 5 CDBDHN COc1cccc(N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000274699139 362625116 /nfs/dbraw/zinc/62/51/16/362625116.db2.gz PDFLHTHXGNOLJF-UHFFFAOYSA-N 0 3 253.302 1.601 20 5 CDBDHN Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000037881813 346369773 /nfs/dbraw/zinc/36/97/73/346369773.db2.gz SGKKPUJQTAIZQA-CQSZACIVSA-N 0 3 290.323 1.250 20 5 CDBDHN C[C@@H](C(=O)NCCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000584832632 346449009 /nfs/dbraw/zinc/44/90/09/346449009.db2.gz XQFYHLRVDHPTQV-SNVBAGLBSA-N 0 3 265.313 1.376 20 5 CDBDHN C[C@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000046878692 348799514 /nfs/dbraw/zinc/79/95/14/348799514.db2.gz VZHIQNPEIVAFSP-JTQLQIEISA-N 0 3 280.328 1.385 20 5 CDBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000067701872 349033834 /nfs/dbraw/zinc/03/38/34/349033834.db2.gz ODQIVCHTFAQDMY-UHFFFAOYSA-N 0 3 263.297 1.419 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N1CCCC1 ZINC000054773807 349410959 /nfs/dbraw/zinc/41/09/59/349410959.db2.gz WBUURCCFKGLSOT-SNVBAGLBSA-N 0 3 295.314 1.948 20 5 CDBDHN Cc1nccn1CCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000136307683 362968732 /nfs/dbraw/zinc/96/87/32/362968732.db2.gz KOWAYKVVWCWDLV-UHFFFAOYSA-N 0 3 292.343 1.318 20 5 CDBDHN CC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000154192656 188128723 /nfs/dbraw/zinc/12/87/23/188128723.db2.gz PORWHBZIYBZSDS-UHFFFAOYSA-N 0 3 265.313 1.488 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCN1CC=CCC1 ZINC000279671249 363248345 /nfs/dbraw/zinc/24/83/45/363248345.db2.gz HVGKRNLDCFWHEK-UHFFFAOYSA-N 0 3 261.325 1.946 20 5 CDBDHN COC[C@@H]1C[C@H](O)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000411904779 363376412 /nfs/dbraw/zinc/37/64/12/363376412.db2.gz AJUOOLBLNZIDFT-STQMWFEESA-N 0 3 296.323 1.055 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000048411459 357182108 /nfs/dbraw/zinc/18/21/08/357182108.db2.gz WKVCOQWBELAIFF-CYBMUJFWSA-N 0 3 277.324 1.809 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072622023 357354479 /nfs/dbraw/zinc/35/44/79/357354479.db2.gz ZQBHXXCELWKWOO-AWEZNQCLSA-N 0 3 291.351 1.738 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H](CO)[C@H]2CCOC2)cc1 ZINC000360767341 357684569 /nfs/dbraw/zinc/68/45/69/357684569.db2.gz UJPQHKQSMQXYBZ-QWHCGFSZSA-N 0 3 280.324 1.329 20 5 CDBDHN C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000347849790 295962699 /nfs/dbraw/zinc/96/26/99/295962699.db2.gz NJUSFIBWMPOXON-UWVGGRQHSA-N 0 3 297.330 1.904 20 5 CDBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN(C)C ZINC000191377469 358129781 /nfs/dbraw/zinc/12/97/81/358129781.db2.gz DQWWJUCPIUVXCE-UHFFFAOYSA-N 0 3 280.328 1.895 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344561821 363598783 /nfs/dbraw/zinc/59/87/83/363598783.db2.gz UKFAGRZWOPPVBH-UHFFFAOYSA-N 0 3 269.276 1.415 20 5 CDBDHN CNC(=O)C[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859590 283337180 /nfs/dbraw/zinc/33/71/80/283337180.db2.gz ZCDJLVADYKEPHL-VHSXEESVSA-N 0 3 265.313 1.770 20 5 CDBDHN CC(C)(C)[C@H](NCCOc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000109330123 358166789 /nfs/dbraw/zinc/16/67/89/358166789.db2.gz DEHIWAIZNQZOKZ-GFCCVEGCSA-N 0 3 295.339 1.463 20 5 CDBDHN CCC[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236949930 358418336 /nfs/dbraw/zinc/41/83/36/358418336.db2.gz ZPWVCCOPBXBYOM-LLVKDONJSA-N 0 3 265.313 1.381 20 5 CDBDHN C[C@H](NCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000341569025 358661273 /nfs/dbraw/zinc/66/12/73/358661273.db2.gz CDXUBWSYDHFGFG-NSHDSACASA-N 0 3 277.324 1.868 20 5 CDBDHN C[C@@H]1OCC[C@@]1(O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486431 358687823 /nfs/dbraw/zinc/68/78/23/358687823.db2.gz JPRVGFHMFHOPTH-VZJVUDMVSA-N 0 3 292.335 1.712 20 5 CDBDHN Cc1ncc(CNCCOc2ccc([N+](=O)[O-])cc2)n1C ZINC000567628026 358709821 /nfs/dbraw/zinc/70/98/21/358709821.db2.gz HFSYBACPAGWCAC-UHFFFAOYSA-N 0 3 290.323 1.805 20 5 CDBDHN CCN(C)C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000388712113 366516549 /nfs/dbraw/zinc/51/65/49/366516549.db2.gz IKMXRXBBBHFVBF-SNVBAGLBSA-N 0 3 272.276 1.425 20 5 CDBDHN C[C@@H](CN(C)C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342217283 358967136 /nfs/dbraw/zinc/96/71/36/358967136.db2.gz QPDHZHLYMRWIEF-VIFPVBQESA-N 0 3 255.293 1.774 20 5 CDBDHN CC(C)[C@@H](CO)CNCc1ccccc1[N+](=O)[O-] ZINC000342238493 358973669 /nfs/dbraw/zinc/97/36/69/358973669.db2.gz SRJMOZOHGGWOPT-GFCCVEGCSA-N 0 3 252.314 1.949 20 5 CDBDHN Cc1nccn1CCNCc1cccc([N+](=O)[O-])c1 ZINC000051634449 358948911 /nfs/dbraw/zinc/94/89/11/358948911.db2.gz HLRXRAVEFXWQFO-UHFFFAOYSA-N 0 3 260.297 1.890 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCCN1C ZINC000342361264 359018080 /nfs/dbraw/zinc/01/80/80/359018080.db2.gz SKTCJSSCKDBDIF-WPRPVWTQSA-N 0 3 266.301 1.135 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H](CC3CC3)C2)c1 ZINC000339671972 359426426 /nfs/dbraw/zinc/42/64/26/359426426.db2.gz KNGHZMTVAFWYGG-LBPRGKRZSA-N 0 3 264.329 1.913 20 5 CDBDHN CN(C)CCSCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000339742074 359431742 /nfs/dbraw/zinc/43/17/42/359431742.db2.gz ZICHDGWTOBTPCI-UHFFFAOYSA-N 0 3 297.380 1.852 20 5 CDBDHN CCNC(=O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135721397 359950940 /nfs/dbraw/zinc/95/09/40/359950940.db2.gz NUKKNZCOPUWNHZ-JTQLQIEISA-N 0 3 265.313 1.772 20 5 CDBDHN C[C@@H](NC[C@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000180445111 189256047 /nfs/dbraw/zinc/25/60/47/189256047.db2.gz WZNCCCWILJEIKS-RISCZKNCSA-N 0 3 290.323 1.503 20 5 CDBDHN COC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000183484640 189360044 /nfs/dbraw/zinc/36/00/44/189360044.db2.gz PPWCNHFWEGCASW-UONOGXRCSA-N 0 3 280.324 1.643 20 5 CDBDHN C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000237429218 363955552 /nfs/dbraw/zinc/95/55/52/363955552.db2.gz HRZJTUSJWVOFLH-MNOVXSKESA-N 0 3 293.323 1.182 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN(CCn3ccnc3)CC2)n1 ZINC000365517572 364304099 /nfs/dbraw/zinc/30/40/99/364304099.db2.gz TZKIEGSGZIRFBG-UHFFFAOYSA-N 0 3 290.327 1.325 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000193622593 189647270 /nfs/dbraw/zinc/64/72/70/189647270.db2.gz HCKAEFPJNNKAJV-ZWNOBZJWSA-N 0 3 277.324 1.252 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CN1C1CC1 ZINC000440930564 367106399 /nfs/dbraw/zinc/10/63/99/367106399.db2.gz ROLARJTZDVRQEH-VHSXEESVSA-N 0 3 292.339 1.288 20 5 CDBDHN C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000272471895 367739506 /nfs/dbraw/zinc/73/95/06/367739506.db2.gz ABHGYYFPJWGENV-QWRGUYRKSA-N 0 3 292.339 1.216 20 5 CDBDHN COc1ccc(NC(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000272785921 368157525 /nfs/dbraw/zinc/15/75/25/368157525.db2.gz FQSBCALCLFZDTH-VIFPVBQESA-N 0 3 296.327 1.675 20 5 CDBDHN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN[C@H](C)C1 ZINC000420342666 244114326 /nfs/dbraw/zinc/11/43/26/244114326.db2.gz XSHVHWNDSWIDAM-GHMZBOCLSA-N 0 3 292.339 1.216 20 5 CDBDHN CCN(CC)CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000272821977 370195077 /nfs/dbraw/zinc/19/50/77/370195077.db2.gz NCIAORLYQIAYHI-UHFFFAOYSA-N 0 3 273.720 1.752 20 5 CDBDHN C[C@@H](NCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000296092787 373752684 /nfs/dbraw/zinc/75/26/84/373752684.db2.gz YHABCUJCYDATSX-GFCCVEGCSA-N 0 3 293.367 1.702 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368368931 373832625 /nfs/dbraw/zinc/83/26/25/373832625.db2.gz FKRNAGMKAJXQDV-UWVGGRQHSA-N 0 3 281.287 1.333 20 5 CDBDHN C[C@H](CN(C)C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000168942387 373842913 /nfs/dbraw/zinc/84/29/13/373842913.db2.gz IHTASLDXKBSOAY-SSDOTTSWSA-N 0 3 269.330 1.666 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](O)C2)cc1 ZINC000114486084 374313822 /nfs/dbraw/zinc/31/38/22/374313822.db2.gz UOTNYVQIMHAYFV-LLVKDONJSA-N 0 3 252.270 1.040 20 5 CDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147817 374454512 /nfs/dbraw/zinc/45/45/12/374454512.db2.gz RJTSGSZZSPBVLY-QWRGUYRKSA-N 0 3 294.355 1.773 20 5 CDBDHN Cc1ccc(CNCCC[S@@](C)=O)cc1[N+](=O)[O-] ZINC000116918369 374491534 /nfs/dbraw/zinc/49/15/34/374491534.db2.gz YBVDTGVJJRKNQJ-SFHVURJKSA-N 0 3 270.354 1.761 20 5 CDBDHN CCOC[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000069278409 374540790 /nfs/dbraw/zinc/54/07/90/374540790.db2.gz YJIDBNDILHQQDS-NSHDSACASA-N 0 3 254.286 1.082 20 5 CDBDHN CS(=O)(=O)CCCCNCc1csc([N+](=O)[O-])c1 ZINC000424173077 246368829 /nfs/dbraw/zinc/36/88/29/246368829.db2.gz OXLQRPMVMMCTAP-UHFFFAOYSA-N 0 3 292.382 1.571 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1N(C)CCCC1(C)C ZINC000447818775 374715915 /nfs/dbraw/zinc/71/59/15/374715915.db2.gz YSCVESGFYNFAFB-JTQLQIEISA-N 0 3 281.360 1.861 20 5 CDBDHN CCN1C[C@H](N[C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449523664 374816340 /nfs/dbraw/zinc/81/63/40/374816340.db2.gz YYKVNIBJSGYQIR-WCQYABFASA-N 0 3 291.351 1.736 20 5 CDBDHN CC[C@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H](C)O ZINC000449532960 374818750 /nfs/dbraw/zinc/81/87/50/374818750.db2.gz AUOSSXQWHGQCTK-ONGXEEELSA-N 0 3 298.339 1.861 20 5 CDBDHN CO[C@]1(C)CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000279398839 374897491 /nfs/dbraw/zinc/89/74/91/374897491.db2.gz UXXDBRNVVZIFRD-CQSZACIVSA-N 0 3 295.339 1.257 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](N2CCCCC2)C1 ZINC000332112197 375006397 /nfs/dbraw/zinc/00/63/97/375006397.db2.gz GLQCABUSNRAUDE-GFCCVEGCSA-N 0 3 293.371 1.389 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)C2CC2)n1 ZINC000162621845 375391231 /nfs/dbraw/zinc/39/12/31/375391231.db2.gz GQJXAMJTJGCATA-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000357415010 375907420 /nfs/dbraw/zinc/90/74/20/375907420.db2.gz NIBCPGSBRBLTKW-DTWKUNHWSA-N 0 3 266.301 1.135 20 5 CDBDHN CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356871095 375866665 /nfs/dbraw/zinc/86/66/65/375866665.db2.gz GPHVZWIWEXCNAU-UHFFFAOYSA-N 0 3 277.324 1.761 20 5 CDBDHN C[C@H](NC1CC1)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000296577901 376526454 /nfs/dbraw/zinc/52/64/54/376526454.db2.gz WNUCADAZZZGPGW-JTQLQIEISA-N 0 3 277.324 1.694 20 5 CDBDHN O=C1CCC[C@H](CNCc2cccc([N+](=O)[O-])c2)N1 ZINC000433188707 248005061 /nfs/dbraw/zinc/00/50/61/248005061.db2.gz CSALHVHTBLRQTE-LLVKDONJSA-N 0 3 263.297 1.353 20 5 CDBDHN Cc1ccc(CN[C@H](CO)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000447968772 250459827 /nfs/dbraw/zinc/45/98/27/250459827.db2.gz RUMWOOKKIILYHD-TZMCWYRMSA-N 0 3 280.324 1.533 20 5 CDBDHN C[C@H](NCCN1CCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266863367 190285211 /nfs/dbraw/zinc/28/52/11/190285211.db2.gz LSMWYUAZLUDMPW-OLZOCXBDSA-N 0 3 293.367 1.966 20 5 CDBDHN CN1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000048609127 390450432 /nfs/dbraw/zinc/45/04/32/390450432.db2.gz RXMQZPRHQPDSGJ-UHFFFAOYSA-N 0 3 269.326 1.480 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CNCCO1 ZINC000415091915 391014728 /nfs/dbraw/zinc/01/47/28/391014728.db2.gz DLYHQJSEOQURBX-LQPUYASZSA-N 0 3 277.324 1.186 20 5 CDBDHN CN1CCC[C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])C1 ZINC000520213525 391251976 /nfs/dbraw/zinc/25/19/76/391251976.db2.gz NBCVASIKKLJZGS-SNVBAGLBSA-N 0 3 292.339 1.447 20 5 CDBDHN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000189718333 391792539 /nfs/dbraw/zinc/79/25/39/391792539.db2.gz MDHFIZDETZNMER-GXFFZTMASA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@H](NC[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000459395421 392431026 /nfs/dbraw/zinc/43/10/26/392431026.db2.gz PJIBOZVGJPRRDM-JQWIXIFHSA-N 0 3 277.324 1.772 20 5 CDBDHN CN(C)[C@]1(CNc2ncc([N+](=O)[O-])s2)CCSC1 ZINC000282006577 393166998 /nfs/dbraw/zinc/16/69/98/393166998.db2.gz UROZLNJQBPJCPN-JTQLQIEISA-N 0 3 288.398 1.901 20 5 CDBDHN NC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000449177802 393132399 /nfs/dbraw/zinc/13/23/99/393132399.db2.gz QJBIHIANWZTIJQ-UHFFFAOYSA-N 0 3 278.312 1.004 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000449665943 393137856 /nfs/dbraw/zinc/13/78/56/393137856.db2.gz RMEIGTRPUNKYGC-LLVKDONJSA-N 0 3 299.277 1.630 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000168690558 147761111 /nfs/dbraw/zinc/76/11/11/147761111.db2.gz CYVXOPYVWDHUEC-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN Cc1c(NC(=O)[C@@H](N)CC(F)F)cccc1[N+](=O)[O-] ZINC000311393865 149212643 /nfs/dbraw/zinc/21/26/43/149212643.db2.gz NWUOKSXZTMQUJA-ZETCQYMHSA-N 0 3 273.239 1.824 20 5 CDBDHN COc1ccc(OC[C@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000314905051 149257221 /nfs/dbraw/zinc/25/72/21/149257221.db2.gz IUVGVBYLDGONLX-LLVKDONJSA-N 0 3 296.323 1.437 20 5 CDBDHN CCN(C)C(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352549477 155264140 /nfs/dbraw/zinc/26/41/40/155264140.db2.gz BRJOQGAZZIBPQC-UHFFFAOYSA-N 0 3 293.367 1.938 20 5 CDBDHN CO[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343545647 152218695 /nfs/dbraw/zinc/21/86/95/152218695.db2.gz ZAMKFAZQBRJVNL-NWDGAFQWSA-N 0 3 296.323 1.055 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)CN(C)C)n1 ZINC000343798821 152306935 /nfs/dbraw/zinc/30/69/35/152306935.db2.gz WPLANEXSZCLHRA-SNVBAGLBSA-N 0 3 252.318 1.969 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCSC2)c(F)c1 ZINC000350289555 154360855 /nfs/dbraw/zinc/36/08/55/154360855.db2.gz RBBWGIQTGSKVRB-GFCCVEGCSA-N 0 3 286.328 1.692 20 5 CDBDHN COc1ccc(CNC[C@@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000353702654 156024665 /nfs/dbraw/zinc/02/46/65/156024665.db2.gz JYTBYIAQYDHDBA-RYUDHWBXSA-N 0 3 296.323 1.233 20 5 CDBDHN C[C@H]1CCN(C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359296055 158203881 /nfs/dbraw/zinc/20/38/81/158203881.db2.gz QTVUBMZVEAUEQZ-LBPRGKRZSA-N 0 3 291.351 1.690 20 5 CDBDHN C[C@H](NCCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000020142068 171028297 /nfs/dbraw/zinc/02/82/97/171028297.db2.gz DBNGOLHJEAVESZ-ZDUSSCGKSA-N 0 3 293.367 1.968 20 5 CDBDHN CC[C@@H](CO)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285029433 196181785 /nfs/dbraw/zinc/18/17/85/196181785.db2.gz HQMKUTJDGCHDIJ-WPRPVWTQSA-N 0 3 253.302 1.599 20 5 CDBDHN CC[C@@H](O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285274989 196238405 /nfs/dbraw/zinc/23/84/05/196238405.db2.gz QZVMAGPDIPXAAK-MWLCHTKSSA-N 0 3 267.329 1.989 20 5 CDBDHN Cc1ccc(CNCCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000285430050 196282163 /nfs/dbraw/zinc/28/21/63/196282163.db2.gz HLLKUEZJMSLUOF-UHFFFAOYSA-N 0 3 294.351 1.924 20 5 CDBDHN C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])N(C)C ZINC000038108658 174122221 /nfs/dbraw/zinc/12/22/21/174122221.db2.gz ZUBQWDOVGIGUJW-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN CCNC(=O)[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676116 174373697 /nfs/dbraw/zinc/37/36/97/174373697.db2.gz HONPAPXINUSWCB-SNVBAGLBSA-N 0 3 265.313 1.252 20 5 CDBDHN CNC(=O)C[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000322757698 262358786 /nfs/dbraw/zinc/35/87/86/262358786.db2.gz FPAHGSQFGFULKU-SNVBAGLBSA-N 0 3 265.313 1.517 20 5 CDBDHN N[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000399029037 270367178 /nfs/dbraw/zinc/36/71/78/270367178.db2.gz KZGXKZUDYNKWMV-CYBMUJFWSA-N 0 3 277.324 1.381 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN([C@@H]3COC[C@H]3O)C2)cc1 ZINC000451543202 275037368 /nfs/dbraw/zinc/03/73/68/275037368.db2.gz BHJHYQNKTYGGAU-BPLDGKMQSA-N 0 3 292.335 1.534 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1CNCCO1)CCC2 ZINC000423543176 275037846 /nfs/dbraw/zinc/03/78/46/275037846.db2.gz BOIFUCFWTUPEJA-HIFRSBDPSA-N 0 3 291.351 1.550 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCN(C3CCCC3)C2)nc1 ZINC000302174339 275041493 /nfs/dbraw/zinc/04/14/93/275041493.db2.gz WHXUXYAVQMKSBM-JTQLQIEISA-N 0 3 277.328 1.814 20 5 CDBDHN CC(=O)NCCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178642445 277031934 /nfs/dbraw/zinc/03/19/34/277031934.db2.gz HEXRSLGGXNMLAM-JTQLQIEISA-N 0 3 265.313 1.772 20 5 CDBDHN C[C@H](Cn1cc(Cl)cc([N+](=O)[O-])c1=O)N(C)C ZINC000331069046 279385663 /nfs/dbraw/zinc/38/56/63/279385663.db2.gz BGPIENNMCFGCNJ-SSDOTTSWSA-N 0 3 259.693 1.360 20 5 CDBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CCN1C ZINC000226775137 280101976 /nfs/dbraw/zinc/10/19/76/280101976.db2.gz QGPLRCWKRCOMGW-YUMQZZPRSA-N 0 3 256.331 1.946 20 5 CDBDHN CC(C)(N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236783326 280138736 /nfs/dbraw/zinc/13/87/36/280138736.db2.gz DWJWJJUQEPVDAH-UHFFFAOYSA-N 0 3 263.297 1.217 20 5 CDBDHN O=C([C@@H]1CCCCN1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000237938017 280194149 /nfs/dbraw/zinc/19/41/49/280194149.db2.gz ZQVIIGGXGXEELW-AWEZNQCLSA-N 0 3 289.335 1.622 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000287455613 533733961 /nfs/dbraw/zinc/73/39/61/533733961.db2.gz GTUAIKJOJXBDAY-VIFPVBQESA-N 0 3 266.301 1.666 20 5 CDBDHN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000159406366 520431517 /nfs/dbraw/zinc/43/15/17/520431517.db2.gz ARPSYXXNQZRXTR-UHFFFAOYSA-N 0 3 295.314 1.487 20 5 CDBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)CCC(=O)OC ZINC000064570070 521150591 /nfs/dbraw/zinc/15/05/91/521150591.db2.gz UZFCZDVWJWWSMO-UHFFFAOYSA-N 0 3 296.323 1.859 20 5 CDBDHN CCNC(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000339333805 521746258 /nfs/dbraw/zinc/74/62/58/521746258.db2.gz APMHMJNXEYZLFS-CQSZACIVSA-N 0 3 293.367 1.888 20 5 CDBDHN C[C@@H](NCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000020199270 525452619 /nfs/dbraw/zinc/45/26/19/525452619.db2.gz FXVKXYLAXKDYIC-SNVBAGLBSA-N 0 3 254.286 1.254 20 5 CDBDHN CC(=O)c1ccc(NC[C@@H]2CNCCN2C)c([N+](=O)[O-])c1 ZINC000420275619 534868623 /nfs/dbraw/zinc/86/86/23/534868623.db2.gz OGZVUYSRUMOLLU-LBPRGKRZSA-N 0 3 292.339 1.113 20 5 CDBDHN CCc1[n-]nc(-c2nc(C3([NH3+])CCCC3)no2)c1[N+](=O)[O-] ZINC000414622825 535998294 /nfs/dbraw/zinc/99/82/94/535998294.db2.gz CNJMFXQXVXXKPA-UHFFFAOYSA-N 0 3 292.299 1.658 20 5 CDBDHN CN(C)C[C@H](O)CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731208396 575038009 /nfs/dbraw/zinc/03/80/09/575038009.db2.gz FMVIRPQPYNMDAC-SECBINFHSA-N 0 3 296.352 1.539 20 5 CDBDHN C[C@@]1(CO)CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759900332 576441825 /nfs/dbraw/zinc/44/18/25/576441825.db2.gz GCLDIHJQXOMYBM-KBPBESRZSA-N 0 3 280.324 1.475 20 5 CDBDHN C[C@@]1(CO)CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000759900333 576441913 /nfs/dbraw/zinc/44/19/13/576441913.db2.gz GCLDIHJQXOMYBM-KGLIPLIRSA-N 0 3 280.324 1.475 20 5 CDBDHN CCN(CCc1ccccn1)CCn1ccc([N+](=O)[O-])n1 ZINC000747958760 576890369 /nfs/dbraw/zinc/89/03/69/576890369.db2.gz CEDFEZGIDRNQMK-UHFFFAOYSA-N 0 3 289.339 1.751 20 5 CDBDHN C[C@@H]1OCC[C@]1(C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755170497 576934136 /nfs/dbraw/zinc/93/41/36/576934136.db2.gz SKJCKJVXLYYCKR-BPNCWPANSA-N 0 3 280.324 1.785 20 5 CDBDHN Cc1nc2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2n1C ZINC000813104121 617342998 /nfs/dbraw/zinc/34/29/98/617342998.db2.gz KFMIXTDRZHSWSP-QMMMGPOBSA-N 0 3 277.280 1.704 20 5 CDBDHN O=[N+]([O-])CCNCCc1cnc(SC2CCCC2)nc1 ZINC000905271252 626727252 /nfs/dbraw/zinc/72/72/52/626727252.db2.gz BKNYPIUTRCNHQC-UHFFFAOYSA-N 0 3 296.396 1.920 20 5 CDBDHN C[C@@H](C[C@H](O)c1ccc(F)cc1)NCC[N+](=O)[O-] ZINC000905363831 626783902 /nfs/dbraw/zinc/78/39/02/626783902.db2.gz GUKRPHQJLPFQIZ-CABZTGNLSA-N 0 3 256.277 1.504 20 5 CDBDHN O=C1[C@@H](N2C[C@@H]3C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000886345419 679752495 /nfs/dbraw/zinc/75/24/95/679752495.db2.gz ZSQKEBJLWJEFMM-WDMOLILDSA-N 0 3 287.319 1.652 20 5 CDBDHN Cc1cnc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000252513116 679760689 /nfs/dbraw/zinc/76/06/89/679760689.db2.gz KRBCUDIMASFGPW-RYUDHWBXSA-N 0 3 292.339 1.573 20 5 CDBDHN CC(C)(C)OC(=O)CC1(NCC[N+](=O)[O-])CCOCC1 ZINC000930741384 679792336 /nfs/dbraw/zinc/79/23/36/679792336.db2.gz OOXWTGOEGKSYHN-UHFFFAOYSA-N 0 3 288.344 1.134 20 5 CDBDHN CC(COC(=O)Cc1cc2ccccc2[nH]c1=O)[N+](=O)[O-] ZINC000813103459 679793009 /nfs/dbraw/zinc/79/30/09/679793009.db2.gz BDWYMQSQKIUNMM-VIFPVBQESA-N 0 3 290.275 1.691 20 5 CDBDHN CC[N@H+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC000853253754 679806989 /nfs/dbraw/zinc/80/69/89/679806989.db2.gz RVCPUHAMJIRQML-UHFFFAOYSA-N 0 3 268.317 1.838 20 5 CDBDHN CC[N@@H+](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC000853253754 679806990 /nfs/dbraw/zinc/80/69/90/679806990.db2.gz RVCPUHAMJIRQML-UHFFFAOYSA-N 0 3 268.317 1.838 20 5 CDBDHN COc1cc(N[C@H]2CCN(C)C2)cnc1[N+](=O)[O-] ZINC001167278569 1158556069 /nfs/dbraw/zinc/55/60/69/1158556069.db2.gz MSEWASKGNUCMMK-QMMMGPOBSA-N 0 3 252.274 1.114 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@H]3CNCCO3)n2)cc1 ZINC000091294952 679830866 /nfs/dbraw/zinc/83/08/66/679830866.db2.gz BQLFAUUVMSHHTM-NSHDSACASA-N 0 3 290.279 1.176 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H](CO)C1CC1)OCCO2 ZINC000883002789 681704057 /nfs/dbraw/zinc/70/40/57/681704057.db2.gz OUMGBJRUNYHQRF-NSHDSACASA-N 0 3 294.307 1.227 20 5 CDBDHN CN(CCO)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000884825142 681718837 /nfs/dbraw/zinc/71/88/37/681718837.db2.gz HPFPHVMQVMAORO-UHFFFAOYSA-N 0 3 290.323 1.479 20 5 CDBDHN CC(COC(=O)C1CN(C(=O)C2CCCCC2)C1)[N+](=O)[O-] ZINC000835456383 682004580 /nfs/dbraw/zinc/00/45/80/682004580.db2.gz UOGDEPYRZJRBBW-SNVBAGLBSA-N 0 3 298.339 1.234 20 5 CDBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000842801484 682214219 /nfs/dbraw/zinc/21/42/19/682214219.db2.gz IQVQJXTUTDVRDX-VHSXEESVSA-N 0 3 289.328 1.809 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813101921 682460172 /nfs/dbraw/zinc/46/01/72/682460172.db2.gz LJZMSOLFJOHULU-SSDOTTSWSA-N 0 3 284.224 1.425 20 5 CDBDHN CN(Cc1cccnc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000886076344 682643808 /nfs/dbraw/zinc/64/38/08/682643808.db2.gz NEJYTLMVMDVINZ-UHFFFAOYSA-N 0 3 279.340 1.973 20 5 CDBDHN O=[N+]([O-])CCN1CCN(c2ccnc3ccccc32)CC1 ZINC000930442504 683068940 /nfs/dbraw/zinc/06/89/40/683068940.db2.gz RLTZJGKYMPGPAQ-UHFFFAOYSA-N 0 3 286.335 1.634 20 5 CDBDHN C[C@H](O)[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178861433 683381900 /nfs/dbraw/zinc/38/19/00/683381900.db2.gz IXUKYMIFTCHEDL-CQDKDKBSSA-N 0 3 294.351 1.864 20 5 CDBDHN Cc1onc(-c2ccncc2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813114819 683524012 /nfs/dbraw/zinc/52/40/12/683524012.db2.gz WSGBUJMBFBRODN-QMMMGPOBSA-N 0 3 291.263 1.867 20 5 CDBDHN CSCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000130906286 683570717 /nfs/dbraw/zinc/57/07/17/683570717.db2.gz QRALNXKECJYOFA-SNVBAGLBSA-N 0 3 283.353 1.922 20 5 CDBDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886300475 683740039 /nfs/dbraw/zinc/74/00/39/683740039.db2.gz ITQFZGZSCZTSIJ-GUDRVLHUSA-N 0 3 265.313 1.891 20 5 CDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)[C@@H](C)O ZINC000929338079 684012426 /nfs/dbraw/zinc/01/24/26/684012426.db2.gz PJGBUHZMMNIKQK-RISCZKNCSA-N 0 3 282.340 1.547 20 5 CDBDHN Cc1nnc(-c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc2)o1 ZINC000813102090 684056889 /nfs/dbraw/zinc/05/68/89/684056889.db2.gz NSVZORVORHGQBZ-QMMMGPOBSA-N 0 3 291.263 1.867 20 5 CDBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001021760326 684072482 /nfs/dbraw/zinc/07/24/82/684072482.db2.gz BHJLRSHXHQBTEV-BETUJISGSA-N 0 3 289.335 1.742 20 5 CDBDHN CC(=O)Nc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813112211 684080485 /nfs/dbraw/zinc/08/04/85/684080485.db2.gz NUUHXVSJRPWSCT-VIFPVBQESA-N 0 3 280.280 1.775 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(CN(C)C2)C1 ZINC001173237503 912366344 /nfs/dbraw/zinc/36/63/44/912366344.db2.gz KQFNLGXIANEYOO-GFCCVEGCSA-N 0 3 275.352 1.773 20 5 CDBDHN CCOC(=O)c1cccc([N+](=O)[O-])c1[N-]C1(CC)C[NH2+]C1 ZINC001168582861 919287144 /nfs/dbraw/zinc/28/71/44/919287144.db2.gz AEZAZKRCRLFFJX-UHFFFAOYSA-N 0 3 293.323 1.935 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCOC[C@@H]2C2CC2)C1 ZINC001169047858 927666060 /nfs/dbraw/zinc/66/60/60/927666060.db2.gz RXPBESVLJRKDPF-RAIGVLPGSA-N 0 3 254.330 1.543 20 5 CDBDHN NCc1cnnn1-c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001169308423 927944317 /nfs/dbraw/zinc/94/43/17/927944317.db2.gz MKXDZNZVDCQOFR-UHFFFAOYSA-N 0 3 296.290 1.696 20 5 CDBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(CCCC2CCC2)C1 ZINC001042711475 935827701 /nfs/dbraw/zinc/82/77/01/935827701.db2.gz UIBMVPPLNZHEPM-ZIAGYGMSSA-N 0 3 295.383 1.375 20 5 CDBDHN CC(C)=CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001122984385 936098195 /nfs/dbraw/zinc/09/81/95/936098195.db2.gz LMZTYVIMMQPPSJ-UHFFFAOYSA-N 0 3 277.324 1.767 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC001124186923 936294714 /nfs/dbraw/zinc/29/47/14/936294714.db2.gz TVZSLVQCYWZWHI-UHFFFAOYSA-N 0 3 290.279 1.102 20 5 CDBDHN COc1cc(C)nc(-n2nc(CN)cc2C)c1[N+](=O)[O-] ZINC001156038593 938312883 /nfs/dbraw/zinc/31/28/83/938312883.db2.gz DEYPDNWEDKHGHJ-UHFFFAOYSA-N 0 3 277.284 1.260 20 5 CDBDHN NCc1cnnn1-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001158427346 938623213 /nfs/dbraw/zinc/62/32/13/938623213.db2.gz QOBDDHPOTGRYOT-UHFFFAOYSA-N 0 3 296.290 1.696 20 5 CDBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN4CC[C@@H]4C3)c21 ZINC001158430323 938623628 /nfs/dbraw/zinc/62/36/28/938623628.db2.gz DEABCDRJIGGWAM-SNVBAGLBSA-N 0 3 285.307 1.432 20 5 CDBDHN NCc1ccnn1-c1nccc(Br)c1[N+](=O)[O-] ZINC001162598334 939099827 /nfs/dbraw/zinc/09/98/27/939099827.db2.gz UKHICYXHXIYTFP-UHFFFAOYSA-N 0 3 298.100 1.397 20 5 CDBDHN O=[N+]([O-])c1cc2ccccc2nc1-n1cnc2c1CNCC2 ZINC001164315928 939452440 /nfs/dbraw/zinc/45/24/40/939452440.db2.gz AVNMJZGFPMJJNQ-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN CC(C)(C)N1CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001165087386 939508218 /nfs/dbraw/zinc/50/82/18/939508218.db2.gz BOPAMUUGTVPNNW-UHFFFAOYSA-N 0 3 264.329 1.910 20 5 CDBDHN COCCN1CCC(Oc2ncccc2[N+](=O)[O-])CC1 ZINC001225593257 941886049 /nfs/dbraw/zinc/88/60/49/941886049.db2.gz MFTVNPFSQRNJHM-UHFFFAOYSA-N 0 3 281.312 1.479 20 5 CDBDHN CN1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226168841 941962241 /nfs/dbraw/zinc/96/22/41/941962241.db2.gz VLBHIPWLNKKLJR-SNVBAGLBSA-N 0 3 279.296 1.167 20 5 CDBDHN CN(C)C1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596703 947546478 /nfs/dbraw/zinc/54/64/78/947546478.db2.gz FIZIUZTXZQMROF-CYBMUJFWSA-N 0 3 261.325 1.308 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC001515986015 969925308 /nfs/dbraw/zinc/92/53/08/969925308.db2.gz BJMJNDHPIRJHHU-WFASDCNBSA-N 0 3 292.383 1.949 20 5 CDBDHN CC(COC(=O)C[C@@H]1C(=O)Nc2c1cccc2F)[N+](=O)[O-] ZINC001515228623 976409246 /nfs/dbraw/zinc/40/92/46/976409246.db2.gz BJTQRLCZHQZRRB-CBAPKCEASA-N 0 3 296.254 1.460 20 5 CDBDHN Cc1ccc(-c2cnn3c2CNCC3)cc1[N+](=O)[O-] ZINC000675076033 539085351 /nfs/dbraw/zinc/08/53/51/539085351.db2.gz IYGJFVYRWVITBD-UHFFFAOYSA-N 0 3 258.281 1.870 20 5 CDBDHN O=[N+]([O-])c1ccccc1NCCN1CC[C@H](O)C1 ZINC000599201202 343979599 /nfs/dbraw/zinc/97/95/99/343979599.db2.gz GEQLBHUVSYFOIL-JTQLQIEISA-N 0 3 251.286 1.073 20 5 CDBDHN COCC1(NCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000590599534 342579713 /nfs/dbraw/zinc/57/97/13/342579713.db2.gz BNJOTGAGODBIIT-UHFFFAOYSA-N 0 3 280.324 1.880 20 5 CDBDHN CCC(C)(C)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000594020659 342867101 /nfs/dbraw/zinc/86/71/01/342867101.db2.gz KQNHFOXYVPRFKM-UHFFFAOYSA-N 0 3 295.387 1.598 20 5 CDBDHN CCC[C@@H](N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653701 342934641 /nfs/dbraw/zinc/93/46/41/342934641.db2.gz YBOVZIYKJCUNSK-SECBINFHSA-N 0 3 277.284 1.681 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CNc2ccnn2C1 ZINC000609406063 342293153 /nfs/dbraw/zinc/29/31/53/342293153.db2.gz GQRRIHZJEGOBIT-NSHDSACASA-N 0 3 287.323 1.623 20 5 CDBDHN COC[C@@H](O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035945 342997831 /nfs/dbraw/zinc/99/78/31/342997831.db2.gz NSXSZFFXPPFALC-JQWIXIFHSA-N 0 3 298.339 1.651 20 5 CDBDHN Cc1noc(CN2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000595504754 343079389 /nfs/dbraw/zinc/07/93/89/343079389.db2.gz INFJRHXRAMZDSI-CQSZACIVSA-N 0 3 294.355 1.809 20 5 CDBDHN CCN1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600964796 342352149 /nfs/dbraw/zinc/35/21/49/342352149.db2.gz GKHGIHGEQVYVCL-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN CN(CC1CC[NH+](C)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596107207 343228914 /nfs/dbraw/zinc/22/89/14/343228914.db2.gz KFHFBOMYTNKCAK-UHFFFAOYSA-N 0 3 280.328 1.473 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000081576149 342370665 /nfs/dbraw/zinc/37/06/65/342370665.db2.gz FNAHROGCHPOXCJ-MNOVXSKESA-N 0 3 279.340 1.970 20 5 CDBDHN Nc1ccc(N[C@H]2CCCN3CCCC[C@@H]23)nc1[N+](=O)[O-] ZINC000596298619 343291872 /nfs/dbraw/zinc/29/18/72/343291872.db2.gz YXEIUGGHOIVMCL-RYUDHWBXSA-N 0 3 291.355 1.423 20 5 CDBDHN CN(C[C@@H]1CCC[N@@H+]1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596277503 343296119 /nfs/dbraw/zinc/29/61/19/343296119.db2.gz GVKURAHPZYSUTA-VIFPVBQESA-N 0 3 266.301 1.226 20 5 CDBDHN CN(C[C@@H]1CCC[N@H+]1C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596277503 343296122 /nfs/dbraw/zinc/29/61/22/343296122.db2.gz GVKURAHPZYSUTA-VIFPVBQESA-N 0 3 266.301 1.226 20 5 CDBDHN COC(=O)[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000597245245 343481395 /nfs/dbraw/zinc/48/13/95/343481395.db2.gz YPAFBRWTJMNYAK-XYPYZODXSA-N 0 3 264.281 1.636 20 5 CDBDHN Cc1nn(C)c(N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000368305728 282272513 /nfs/dbraw/zinc/27/25/13/282272513.db2.gz ZFBIJPUMCGLTFN-CYBMUJFWSA-N 0 3 279.344 1.169 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598914500 343919673 /nfs/dbraw/zinc/91/96/73/343919673.db2.gz GOSYOYNETMJIPS-DTWKUNHWSA-N 0 3 296.302 1.948 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CCC[C@@H]21 ZINC000612108273 347023326 /nfs/dbraw/zinc/02/33/26/347023326.db2.gz VHAQYTPGSCOXRN-XQQFMLRXSA-N 0 3 292.335 1.819 20 5 CDBDHN O=C(CCN1CCC(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026227984 344158804 /nfs/dbraw/zinc/15/88/04/344158804.db2.gz CNCPUEQXUYWLFV-UHFFFAOYSA-N 0 3 293.323 1.380 20 5 CDBDHN Cc1ccnc(N2CC[C@@]3(CCN(C)C3)C2)c1[N+](=O)[O-] ZINC000292415084 362470647 /nfs/dbraw/zinc/47/06/47/362470647.db2.gz WCEBZEBXWKZIQJ-CQSZACIVSA-N 0 3 276.340 1.830 20 5 CDBDHN NC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000052826687 346486069 /nfs/dbraw/zinc/48/60/69/346486069.db2.gz CAMQVIRISWDBOJ-UHFFFAOYSA-N 0 3 291.351 1.867 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000611165702 346626690 /nfs/dbraw/zinc/62/66/90/346626690.db2.gz BBYBIVLRDBXVKW-GFCCVEGCSA-N 0 3 292.339 1.655 20 5 CDBDHN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000273428516 192147637 /nfs/dbraw/zinc/14/76/37/192147637.db2.gz WVHWKDWLFYHOQE-YGRLFVJLSA-N 0 3 290.323 1.713 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C ZINC000067161962 349015389 /nfs/dbraw/zinc/01/53/89/349015389.db2.gz HNQHMWWTAJXKOI-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN Cc1c(NC(=O)CCN2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000074313433 349211606 /nfs/dbraw/zinc/21/16/06/349211606.db2.gz UAIYCJBWBVHHTO-NSHDSACASA-N 0 3 293.323 1.298 20 5 CDBDHN COCCN(C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692321 180025590 /nfs/dbraw/zinc/02/55/90/180025590.db2.gz YUMGMPFKRWOLDF-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN CC(C)(C)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000109331479 186248804 /nfs/dbraw/zinc/24/88/04/186248804.db2.gz PSWUXCWWKMDZLT-LBPRGKRZSA-N 0 3 295.339 1.463 20 5 CDBDHN CNC(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153259208 188073702 /nfs/dbraw/zinc/07/37/02/188073702.db2.gz GSBSINOYMGTKSE-UHFFFAOYSA-N 0 3 277.324 1.695 20 5 CDBDHN CN1CC=C(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271801209 191335632 /nfs/dbraw/zinc/33/56/32/191335632.db2.gz DLDMQOXYWCUHRC-UHFFFAOYSA-N 0 3 289.335 1.515 20 5 CDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])s1)N(C)C1CC1 ZINC000193856481 363531116 /nfs/dbraw/zinc/53/11/16/363531116.db2.gz VSDJNKSAUAOXNC-ZETCQYMHSA-N 0 3 256.331 1.946 20 5 CDBDHN CC(C)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C(N)=O ZINC000566476286 357822536 /nfs/dbraw/zinc/82/25/36/357822536.db2.gz VWGDXTPGFTVDAN-NSHDSACASA-N 0 3 277.324 1.683 20 5 CDBDHN COCCCN(C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000188933519 357954269 /nfs/dbraw/zinc/95/42/69/357954269.db2.gz ZRZLRACXYUBSDT-QPJJXVBHSA-N 0 3 294.351 1.939 20 5 CDBDHN C[C@@H](NCCN1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000361349760 358165699 /nfs/dbraw/zinc/16/56/99/358165699.db2.gz XXAYZOBYTRRILN-CYBMUJFWSA-N 0 3 293.367 1.968 20 5 CDBDHN COc1cc(C[NH2+]C[C@H](C)CCCO)c([N+](=O)[O-])cc1[O-] ZINC000294774368 199175946 /nfs/dbraw/zinc/17/59/46/199175946.db2.gz KNIOSSUMLUMQNC-SNVBAGLBSA-N 0 3 298.339 1.807 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000193631724 358310677 /nfs/dbraw/zinc/31/06/77/358310677.db2.gz UNOXACGCEUHTSR-ZWNOBZJWSA-N 0 3 293.323 1.088 20 5 CDBDHN Cc1cccc(C(=O)N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000287245887 358351065 /nfs/dbraw/zinc/35/10/65/358351065.db2.gz QITNPBXULFUUNY-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000287228189 358334920 /nfs/dbraw/zinc/33/49/20/358334920.db2.gz QOHMGUOTRRSVFY-VHSXEESVSA-N 0 3 293.327 1.017 20 5 CDBDHN C[C@@H](O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000162836268 358835863 /nfs/dbraw/zinc/83/58/63/358835863.db2.gz FYFUVYQAAYWIFJ-GHMZBOCLSA-N 0 3 250.298 1.798 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000451700590 359072190 /nfs/dbraw/zinc/07/21/90/359072190.db2.gz XVODCFOIYZWUMU-MBNYWOFBSA-N 0 3 294.355 1.274 20 5 CDBDHN COC[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000569941168 359270184 /nfs/dbraw/zinc/27/01/84/359270184.db2.gz LRZYLGGNRPVWKU-MFKMUULPSA-N 0 3 280.324 1.833 20 5 CDBDHN CC(C)[C@](C)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000297674421 200259408 /nfs/dbraw/zinc/25/94/08/200259408.db2.gz OUOKOKZRAPHRSN-OCCSQVGLSA-N 0 3 295.339 1.118 20 5 CDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000027758864 360345499 /nfs/dbraw/zinc/34/54/99/360345499.db2.gz YCPXTFIPRRBAEX-NSHDSACASA-N 0 3 294.355 1.538 20 5 CDBDHN Cc1cc(NC[C@]2(O)CCN(C)C2)ccc1[N+](=O)[O-] ZINC000358356433 360976022 /nfs/dbraw/zinc/97/60/22/360976022.db2.gz REYWWDIGBCRWRL-CYBMUJFWSA-N 0 3 265.313 1.382 20 5 CDBDHN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCC[NH2+]C1CC1 ZINC000036267347 361373139 /nfs/dbraw/zinc/37/31/39/361373139.db2.gz TWFUBOUYIFIVRP-UHFFFAOYSA-N 0 3 299.352 1.015 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236692901 361360052 /nfs/dbraw/zinc/36/00/52/361360052.db2.gz XGKAPMLWNNWNFT-GFCCVEGCSA-N 0 3 279.340 1.627 20 5 CDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000272437757 367732643 /nfs/dbraw/zinc/73/26/43/367732643.db2.gz IFVOUKAZDJMLSK-ONGXEEELSA-N 0 3 278.312 1.089 20 5 CDBDHN C[C@H](O)[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000272565677 367775161 /nfs/dbraw/zinc/77/51/61/367775161.db2.gz MHZONLVZOYMNAV-JKOKRWQUSA-N 0 3 280.324 1.331 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC2)c1 ZINC000194246752 372176158 /nfs/dbraw/zinc/17/61/58/372176158.db2.gz QRRRMDCZGUEDJF-UHFFFAOYSA-N 0 3 293.323 1.429 20 5 CDBDHN Cc1cnc(OC[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000187691647 373220619 /nfs/dbraw/zinc/22/06/19/373220619.db2.gz PCCNCMHYWUJKKG-SNVBAGLBSA-N 0 3 251.286 1.629 20 5 CDBDHN COC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269647254 373301941 /nfs/dbraw/zinc/30/19/41/373301941.db2.gz LDXRCDSKLBLJJS-DOMZBBRYSA-N 0 3 294.351 1.987 20 5 CDBDHN CC(C)CN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000520554973 373549933 /nfs/dbraw/zinc/54/99/33/373549933.db2.gz WMMLBXQLTBXBDC-UHFFFAOYSA-N 0 3 296.371 1.593 20 5 CDBDHN COc1cc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])cc1OC ZINC000214130331 373673754 /nfs/dbraw/zinc/67/37/54/373673754.db2.gz JGRAHKYIZVQKPV-VIFPVBQESA-N 0 3 283.328 1.974 20 5 CDBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000352150925 373723843 /nfs/dbraw/zinc/72/38/43/373723843.db2.gz YZCMMGIWVFZJDV-NSHDSACASA-N 0 3 293.367 1.939 20 5 CDBDHN CNc1c(C(=O)NC[C@@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000161461427 373756247 /nfs/dbraw/zinc/75/62/47/373756247.db2.gz GWBZWMAWORNUGD-SECBINFHSA-N 0 3 280.328 1.316 20 5 CDBDHN CN(C)CCOCCNc1c(F)cccc1[N+](=O)[O-] ZINC000311684851 374263524 /nfs/dbraw/zinc/26/35/24/374263524.db2.gz NRYMPWNWGBFBDM-UHFFFAOYSA-N 0 3 271.292 1.724 20 5 CDBDHN Cc1ccc(CNCCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000078893053 374360024 /nfs/dbraw/zinc/36/00/24/374360024.db2.gz WHGRETLTOCHIBI-UHFFFAOYSA-N 0 3 279.340 1.908 20 5 CDBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000331410242 374950134 /nfs/dbraw/zinc/95/01/34/374950134.db2.gz PFZPPMIVUQKHLO-SECBINFHSA-N 0 3 293.327 1.065 20 5 CDBDHN CC(C)[C@@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000332669046 375042914 /nfs/dbraw/zinc/04/29/14/375042914.db2.gz QHIIHOHCHBLQSG-JTQLQIEISA-N 0 3 252.318 1.949 20 5 CDBDHN COCC[C@@](C)(O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284139879 375130235 /nfs/dbraw/zinc/13/02/35/375130235.db2.gz ORMNAKNGKXGTFE-IINYFYTJSA-N 0 3 297.355 1.615 20 5 CDBDHN CN1CCN(CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000299434536 375170539 /nfs/dbraw/zinc/17/05/39/375170539.db2.gz ODLSFVRCZIWIRK-UHFFFAOYSA-N 0 3 296.346 1.783 20 5 CDBDHN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000057308095 375413673 /nfs/dbraw/zinc/41/36/73/375413673.db2.gz AOCVPNXQSZWWML-NSHDSACASA-N 0 3 277.324 1.809 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CC(=O)N(C)C1 ZINC000344830139 375550511 /nfs/dbraw/zinc/55/05/11/375550511.db2.gz RBGYOILXVFERHE-GXJZLWQJSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C1CC1 ZINC000057703189 375564344 /nfs/dbraw/zinc/56/43/44/375564344.db2.gz IOPNLXVWWBNXDY-SECBINFHSA-N 0 3 295.314 1.946 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000426811229 247065885 /nfs/dbraw/zinc/06/58/85/247065885.db2.gz SGDFQQFWICFFMZ-QWRGUYRKSA-N 0 3 264.329 1.950 20 5 CDBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C1CC1 ZINC000357433091 375908825 /nfs/dbraw/zinc/90/88/25/375908825.db2.gz CPWRDUMRRPUSOH-STQMWFEESA-N 0 3 294.355 1.273 20 5 CDBDHN CC(C)[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262699292 190060651 /nfs/dbraw/zinc/06/06/51/190060651.db2.gz GPXDFQYUJQRZBZ-LBPRGKRZSA-N 0 3 265.313 1.237 20 5 CDBDHN C[C@@H]1NCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1C ZINC000262757517 190062523 /nfs/dbraw/zinc/06/25/23/190062523.db2.gz HWALFZYFLVCMFS-YUMQZZPRSA-N 0 3 269.326 1.479 20 5 CDBDHN COc1ccc(CNC[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433195330 248007399 /nfs/dbraw/zinc/00/73/99/248007399.db2.gz UBQBVMUTHFNPDN-LLVKDONJSA-N 0 3 293.323 1.362 20 5 CDBDHN COCC[C@@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000172069875 377239610 /nfs/dbraw/zinc/23/96/10/377239610.db2.gz ZRCKCZGNGJHINA-CQSZACIVSA-N 0 3 298.339 1.481 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCOCC3)CC2)nc1 ZINC000267098976 377242643 /nfs/dbraw/zinc/24/26/43/377242643.db2.gz WGGJSXFSNJDCFT-UHFFFAOYSA-N 0 3 292.339 1.291 20 5 CDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@]12C[C@H]1CCCN2 ZINC001580770815 1172536467 /nfs/dbraw/zinc/53/64/67/1172536467.db2.gz RVUZXPKAPTUFIT-RNCFNFMXSA-N 0 3 261.281 1.675 20 5 CDBDHN CCN(CCOC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266510168 190262541 /nfs/dbraw/zinc/26/25/41/190262541.db2.gz DFYAMVJYCINIBX-UHFFFAOYSA-N 0 3 298.339 1.951 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206097 190386268 /nfs/dbraw/zinc/38/62/68/190386268.db2.gz JSBBNXVKPXSPGV-HZMBPMFUSA-N 0 3 289.335 1.807 20 5 CDBDHN C[C@H]1CCC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279219984 194338541 /nfs/dbraw/zinc/33/85/41/194338541.db2.gz HZMLTXWWNNHZGE-CABZTGNLSA-N 0 3 277.324 1.972 20 5 CDBDHN CCC[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557895 251339493 /nfs/dbraw/zinc/33/94/93/251339493.db2.gz BZAICDLEPHMVPN-YPMHNXCESA-N 0 3 294.355 1.637 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C\CN(C)C ZINC000492426454 253216431 /nfs/dbraw/zinc/21/64/31/253216431.db2.gz NGLCJHIUUSASKG-PLNGDYQASA-N 0 3 293.323 1.337 20 5 CDBDHN COC[C@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000452037374 390982098 /nfs/dbraw/zinc/98/20/98/390982098.db2.gz LGEKYGVRVUZIRE-LLVKDONJSA-N 0 3 268.317 1.292 20 5 CDBDHN CCN1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000413573735 391241209 /nfs/dbraw/zinc/24/12/09/391241209.db2.gz SPMOPSVGTAJBID-VIFPVBQESA-N 0 3 251.290 1.199 20 5 CDBDHN C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1 ZINC000052783513 391334653 /nfs/dbraw/zinc/33/46/53/391334653.db2.gz DGPYAGRGPJKNJB-JTQLQIEISA-N 0 3 272.308 1.941 20 5 CDBDHN CCNC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223725 391341870 /nfs/dbraw/zinc/34/18/70/391341870.db2.gz YRKSAOSZVXEEBW-JTQLQIEISA-N 0 3 265.313 1.252 20 5 CDBDHN Cc1cc(N2CC[C@@]3(CCN(C)C3)C2)ncc1[N+](=O)[O-] ZINC000292396847 391630173 /nfs/dbraw/zinc/63/01/73/391630173.db2.gz UPGRYJDRXAFVHU-CQSZACIVSA-N 0 3 276.340 1.830 20 5 CDBDHN CC/C=C/CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574311955 391596909 /nfs/dbraw/zinc/59/69/09/391596909.db2.gz FDKXWIGIZQZEIO-MJRJWQSSSA-N 0 3 280.324 1.890 20 5 CDBDHN CC1(C)CN[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000591675124 391981082 /nfs/dbraw/zinc/98/10/82/391981082.db2.gz SXJYQPBPFLGYGX-LLVKDONJSA-N 0 3 263.297 1.209 20 5 CDBDHN C[C@@H]1[C@@H](CO)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000488803936 392728078 /nfs/dbraw/zinc/72/80/78/392728078.db2.gz ZGSRCYVWIQSKKE-VXGBXAGGSA-N 0 3 280.324 1.676 20 5 CDBDHN CN(C[C@@H]1CCCN1C)c1nc2sccn2c1[N+](=O)[O-] ZINC000420636397 392921027 /nfs/dbraw/zinc/92/10/27/392921027.db2.gz NJNNUMBTAKWVAQ-VIFPVBQESA-N 0 3 295.368 1.834 20 5 CDBDHN N[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC000423180168 392959397 /nfs/dbraw/zinc/95/93/97/392959397.db2.gz IIINJQDBEQOMRE-AWEZNQCLSA-N 0 3 289.335 1.607 20 5 CDBDHN CCN(CCOCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000281914890 393163624 /nfs/dbraw/zinc/16/36/24/393163624.db2.gz CKMYWJADUTUHSV-UHFFFAOYSA-N 0 3 298.339 1.304 20 5 CDBDHN CN(C)C/C=C\C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000491861325 393208833 /nfs/dbraw/zinc/20/88/33/393208833.db2.gz ABFOQQMKBRWPDV-DAXSKMNVSA-N 0 3 275.308 1.602 20 5 CDBDHN Cc1cc(N2CCN(C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275431948 135106933 /nfs/dbraw/zinc/10/69/33/135106933.db2.gz VLHNSDWKNXXYJO-STQMWFEESA-N 0 3 293.367 1.795 20 5 CDBDHN COc1ccc(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1[N+](=O)[O-] ZINC000252854496 140326639 /nfs/dbraw/zinc/32/66/39/140326639.db2.gz HAMHQYIUDNXMHV-OBJOEFQTSA-N 0 3 292.335 1.806 20 5 CDBDHN C[C@H](O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000310918323 149204432 /nfs/dbraw/zinc/20/44/32/149204432.db2.gz GRDMKISSMRBSPB-IUCAKERBSA-N 0 3 256.277 1.983 20 5 CDBDHN C[C@@H]1[C@H](Nc2ncccc2[N+](=O)[O-])CCCN1C ZINC000343571683 152228043 /nfs/dbraw/zinc/22/80/43/152228043.db2.gz ZXDSEHXYCOFGHG-NXEZZACHSA-N 0 3 250.302 1.884 20 5 CDBDHN CCN1C[C@@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000346169319 153080644 /nfs/dbraw/zinc/08/06/44/153080644.db2.gz QDLYOABGADIPCL-VXGBXAGGSA-N 0 3 281.360 1.206 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@H]1CC[C@@H](CO)O1 ZINC000353709806 156032121 /nfs/dbraw/zinc/03/21/21/156032121.db2.gz SGWRIOSHRFCDRS-DWMAKUKJSA-N 0 3 292.335 1.738 20 5 CDBDHN Cc1nn(CCN2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000071799161 176265493 /nfs/dbraw/zinc/26/54/93/176265493.db2.gz LXIQFLHBQAERKI-UHFFFAOYSA-N 0 3 252.318 1.894 20 5 CDBDHN CCN(CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000184588998 270253950 /nfs/dbraw/zinc/25/39/50/270253950.db2.gz IDQQXZQNYPYYKH-UHFFFAOYSA-N 0 3 296.327 1.031 20 5 CDBDHN CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000395446644 270342862 /nfs/dbraw/zinc/34/28/62/270342862.db2.gz XNVWVDKTRCXDNY-UFBFGSQYSA-N 0 3 256.277 1.983 20 5 CDBDHN CS[C@@H](CO)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000219070206 274179020 /nfs/dbraw/zinc/17/90/20/274179020.db2.gz HQLMGGWYMUQMKO-CABZTGNLSA-N 0 3 270.354 1.797 20 5 CDBDHN CNC(=O)[C@H](C)N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000291936634 277249062 /nfs/dbraw/zinc/24/90/62/277249062.db2.gz PHJCVGLJBBSERY-GWCFXTLKSA-N 0 3 291.351 1.640 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262826384 279105202 /nfs/dbraw/zinc/10/52/02/279105202.db2.gz UBXCPCZQTHICPH-VHSXEESVSA-N 0 3 263.297 1.417 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000108344914 279306173 /nfs/dbraw/zinc/30/61/73/279306173.db2.gz ZXIKDLXQOXDJNR-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])N(C)C1CC1 ZINC000057700940 279345073 /nfs/dbraw/zinc/34/50/73/279345073.db2.gz LFHXABDKAHWRRJ-SECBINFHSA-N 0 3 295.314 1.946 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCC[C@H]2CO)c1 ZINC000230679391 280117961 /nfs/dbraw/zinc/11/79/61/280117961.db2.gz YPGBQMDXMCXQQH-AAEUAGOBSA-N 0 3 250.298 1.845 20 5 CDBDHN CC(C)Oc1nc(NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000574823125 295061116 /nfs/dbraw/zinc/06/11/16/295061116.db2.gz QWOWOXWFXOOPKP-JTQLQIEISA-N 0 3 282.344 1.561 20 5 CDBDHN [NH3+]C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000382454712 323641651 /nfs/dbraw/zinc/64/16/51/323641651.db2.gz PMUHXWGGLOMVJL-NXEZZACHSA-N 0 3 299.352 1.001 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000067044961 522038923 /nfs/dbraw/zinc/03/89/23/522038923.db2.gz SIJPQXBEWOKSBE-LLVKDONJSA-N 0 3 295.314 1.900 20 5 CDBDHN CN[C@@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054074576 522322051 /nfs/dbraw/zinc/32/20/51/522322051.db2.gz HBJGKOADKGHKQV-BDAKNGLRSA-N 0 3 251.286 1.380 20 5 CDBDHN CNc1c(C(=O)NC[C@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000161461305 522540075 /nfs/dbraw/zinc/54/00/75/522540075.db2.gz GWBZWMAWORNUGD-VIFPVBQESA-N 0 3 280.328 1.316 20 5 CDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000111297147 523218165 /nfs/dbraw/zinc/21/81/65/523218165.db2.gz JSBGMEFGLVJTCM-UHFFFAOYSA-N 0 3 277.324 1.926 20 5 CDBDHN C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235671650 524930817 /nfs/dbraw/zinc/93/08/17/524930817.db2.gz AQNXCJJIPLGKIY-VHSXEESVSA-N 0 3 299.352 1.014 20 5 CDBDHN Cc1n[nH]cc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731678979 575059390 /nfs/dbraw/zinc/05/93/90/575059390.db2.gz UURCRUZEUKKIGY-CYBMUJFWSA-N 0 3 276.296 1.450 20 5 CDBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000772533367 575719264 /nfs/dbraw/zinc/71/92/64/575719264.db2.gz NDRQASJHBFXOCY-BXKDBHETSA-N 0 3 292.291 1.677 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1OC(=O)C1CCN(C)C1=O ZINC000773985131 575846784 /nfs/dbraw/zinc/84/67/84/575846784.db2.gz WFGFPZRSGDTUBE-SNVBAGLBSA-N 0 3 278.264 1.287 20 5 CDBDHN C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000766184443 576084367 /nfs/dbraw/zinc/08/43/67/576084367.db2.gz PIPQNKCOZMHWRC-HZMBPMFUSA-N 0 3 290.323 1.713 20 5 CDBDHN CC(C)N1CC[C@@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000892035227 617429101 /nfs/dbraw/zinc/42/91/01/617429101.db2.gz BKBUMFUNVPXTCG-SECBINFHSA-N 0 3 253.306 1.223 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccc(Br)cc1F ZINC000905102993 626621124 /nfs/dbraw/zinc/62/11/24/626621124.db2.gz WFTCSWHVMGMXBP-UHFFFAOYSA-N 0 3 291.120 1.997 20 5 CDBDHN O=[N+]([O-])CCNC[C@H]1SCCc2ccccc21 ZINC000905156551 626640247 /nfs/dbraw/zinc/64/02/47/626640247.db2.gz SWCMSIKPYWHEOT-GFCCVEGCSA-N 0 3 252.339 1.883 20 5 CDBDHN O=[N+]([O-])CCNC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000905367766 626786211 /nfs/dbraw/zinc/78/62/11/626786211.db2.gz VCRQLSVGCKWKKY-QWHCGFSZSA-N 0 3 268.288 1.158 20 5 CDBDHN C[C@H](N[C@@H]1COC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905867809 627010571 /nfs/dbraw/zinc/01/05/71/627010571.db2.gz OPRKNLYNJCKGNI-GBIKHYSHSA-N 0 3 293.323 1.546 20 5 CDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1cnnn1C ZINC000866359188 685264262 /nfs/dbraw/zinc/26/42/62/685264262.db2.gz OEGQEHPLWORLQC-SECBINFHSA-N 0 3 293.302 1.583 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2COCCO2)cc1Cl ZINC000783595833 685324602 /nfs/dbraw/zinc/32/46/02/685324602.db2.gz DOCBLRUFDCQKOM-SNVBAGLBSA-N 0 3 286.715 1.753 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CNCCO2)c1 ZINC000841098454 685338088 /nfs/dbraw/zinc/33/80/88/685338088.db2.gz FBNAMKUDCMACMO-LLVKDONJSA-N 0 3 285.731 1.326 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000829439445 685454770 /nfs/dbraw/zinc/45/47/70/685454770.db2.gz CAEZQACVLJOGPN-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN CN(C[C@@H]1CCOC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000176093005 685652328 /nfs/dbraw/zinc/65/23/28/685652328.db2.gz JMOQJRYNVPTYQS-NSHDSACASA-N 0 3 290.323 1.870 20 5 CDBDHN C[C@H](NC/C=C/CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850506822 684487530 /nfs/dbraw/zinc/48/75/30/684487530.db2.gz CGQGHSMSZGSHGI-HPOULIHZSA-N 0 3 251.286 1.376 20 5 CDBDHN CC(C)N1CCCC[C@H]1Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000840210013 684738551 /nfs/dbraw/zinc/73/85/51/684738551.db2.gz KOGWXEDRLONUFJ-JTQLQIEISA-N 0 3 297.315 1.962 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](CF)C1 ZINC000880236946 684799470 /nfs/dbraw/zinc/79/94/70/684799470.db2.gz MLXOPWVLGJEJOK-NSHDSACASA-N 0 3 283.303 1.438 20 5 CDBDHN CCn1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819305174 685089544 /nfs/dbraw/zinc/08/95/44/685089544.db2.gz HDOQBIRSNBLVQW-AWEZNQCLSA-N 0 3 290.323 1.634 20 5 CDBDHN CC(C)N1CCCC[C@@H]1Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000840210014 685094181 /nfs/dbraw/zinc/09/41/81/685094181.db2.gz KOGWXEDRLONUFJ-SNVBAGLBSA-N 0 3 297.315 1.962 20 5 CDBDHN CC(=O)Nc1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105567 685795675 /nfs/dbraw/zinc/79/56/75/685795675.db2.gz OVXJLAKLVIBAJG-VIFPVBQESA-N 0 3 280.280 1.396 20 5 CDBDHN O=C1NCCC[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839195343 685869223 /nfs/dbraw/zinc/86/92/23/685869223.db2.gz HDYPYZQXUFIBNZ-VIFPVBQESA-N 0 3 297.742 1.864 20 5 CDBDHN CCc1noc2ncc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813115038 687147669 /nfs/dbraw/zinc/14/76/69/687147669.db2.gz JMJDXLNWGKGJEF-SSDOTTSWSA-N 0 3 279.252 1.607 20 5 CDBDHN CO[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccc(F)cc1 ZINC000860777815 687472046 /nfs/dbraw/zinc/47/20/46/687472046.db2.gz WNWIJACGUOJOCM-LDYMZIIASA-N 0 3 271.244 1.722 20 5 CDBDHN CC(=O)NCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881428 687687829 /nfs/dbraw/zinc/68/78/29/687687829.db2.gz ZOYMKGONLPLSFM-OQPBUACISA-N 0 3 298.270 1.211 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(CO)CC2)cc1 ZINC000776579349 687864324 /nfs/dbraw/zinc/86/43/24/687864324.db2.gz NSSOIDMRZIXWKD-CQSZACIVSA-N 0 3 280.324 1.333 20 5 CDBDHN O=[N+]([O-])c1cccc(-c2noc(C[C@H]3CNCCO3)n2)c1 ZINC000091294956 688000711 /nfs/dbraw/zinc/00/07/11/688000711.db2.gz BHTXCDYIIXWGLV-NSHDSACASA-N 0 3 290.279 1.176 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H]2CO)cc1 ZINC000776581396 688038042 /nfs/dbraw/zinc/03/80/42/688038042.db2.gz DGBMBZPQSGZUPQ-STQMWFEESA-N 0 3 266.297 1.085 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC[C@@H]2CCO)c1 ZINC000062351222 688047890 /nfs/dbraw/zinc/04/78/90/688047890.db2.gz WSJQFUPXSPNJIQ-HIFRSBDPSA-N 0 3 294.351 1.865 20 5 CDBDHN Cc1cc(N[C@H]2CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC000092026738 1158923779 /nfs/dbraw/zinc/92/37/79/1158923779.db2.gz UOLXZKOYRFEJJM-NSHDSACASA-N 0 3 262.313 1.804 20 5 CDBDHN COc1ccc(C[C@H](C)n2nncc2CN)c([N+](=O)[O-])c1 ZINC001170305636 1162330159 /nfs/dbraw/zinc/33/01/59/1162330159.db2.gz OJPGDMDSFVHERG-VIFPVBQESA-N 0 3 291.311 1.457 20 5 CDBDHN COc1ccc(C[C@@H](C)n2nncc2CN)c([N+](=O)[O-])c1 ZINC001170305635 1162330180 /nfs/dbraw/zinc/33/01/80/1162330180.db2.gz OJPGDMDSFVHERG-SECBINFHSA-N 0 3 291.311 1.457 20 5 CDBDHN COC(C)(CNc1cc2c(cc1[N+](=O)[O-])CNC2)OC ZINC001170438313 1162444908 /nfs/dbraw/zinc/44/49/08/1162444908.db2.gz ZIKCQVJZUQFRCH-UHFFFAOYSA-N 0 3 281.312 1.619 20 5 CDBDHN Cc1cc(N[C@@H](C)[C@@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001170566059 1162931506 /nfs/dbraw/zinc/93/15/06/1162931506.db2.gz DMOHFSGWEDHZLX-ONGXEEELSA-N 0 3 266.301 1.087 20 5 CDBDHN Nc1cc(N2CCN(C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC001165027917 721856981 /nfs/dbraw/zinc/85/69/81/721856981.db2.gz CFQWFGBLDQGZMX-UHFFFAOYSA-N 0 3 291.355 1.637 20 5 CDBDHN O=C(CC1CCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001125270882 893948515 /nfs/dbraw/zinc/94/85/15/893948515.db2.gz UDMLBXZIRBYABH-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCN1C ZINC000922573454 921677915 /nfs/dbraw/zinc/67/79/15/921677915.db2.gz AQUBOKVQBDGRTD-CYBMUJFWSA-N 0 3 279.340 1.787 20 5 CDBDHN NCc1ccnn1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001155124728 926558171 /nfs/dbraw/zinc/55/81/71/926558171.db2.gz FQKNHZCLPFHVPM-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN Cc1nc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C)o1 ZINC001168959039 927580073 /nfs/dbraw/zinc/58/00/73/927580073.db2.gz SQTDZOCBDJKVHU-MNOVXSKESA-N 0 3 253.302 1.826 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2ccn(CCF)n2)C1 ZINC001168995828 927602448 /nfs/dbraw/zinc/60/24/48/927602448.db2.gz TYQZGFLUMJKLSS-MNOVXSKESA-N 0 3 270.308 1.388 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@H](F)C[C@@H](CO)C2)C1 ZINC001169006005 927609011 /nfs/dbraw/zinc/60/90/11/927609011.db2.gz FDNANJPNVGNLMU-KKOKHZNYSA-N 0 3 260.309 1.084 20 5 CDBDHN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035787 927643853 /nfs/dbraw/zinc/64/38/53/927643853.db2.gz CHTKHZXAXONUSS-CYDGBPFRSA-N 0 3 286.372 1.951 20 5 CDBDHN N=c1sc2c(n1[C@H]1CC[C@H](C[N+](=O)[O-])C1)CCNC2 ZINC001169035927 927643897 /nfs/dbraw/zinc/64/38/97/927643897.db2.gz MGNCBJWUCFQXON-IUCAKERBSA-N 0 3 282.369 1.293 20 5 CDBDHN CC(=O)[C@@H]1CCCCN1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039103 927649968 /nfs/dbraw/zinc/64/99/68/927649968.db2.gz NBNCSICQZRUVLF-AVGNSLFASA-N 0 3 254.330 1.875 20 5 CDBDHN O=C1CC[C@]2(CCCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)O1 ZINC001169044817 927657474 /nfs/dbraw/zinc/65/74/74/927657474.db2.gz IYQWWZJJRLTGOV-OBJOEFQTSA-N 0 3 282.340 1.603 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(=O)O1 ZINC000852019341 927690049 /nfs/dbraw/zinc/69/00/49/927690049.db2.gz YJKVSWSUVRIKFB-ZDUSSCGKSA-N 0 3 278.308 1.775 20 5 CDBDHN CC(C)N(C)CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116136336 937432794 /nfs/dbraw/zinc/43/27/94/937432794.db2.gz YDKNCEBBVGRTAQ-UHFFFAOYSA-N 0 3 277.324 1.777 20 5 CDBDHN N[C@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1F ZINC001246526281 931585194 /nfs/dbraw/zinc/58/51/94/931585194.db2.gz AFMYCBJNJSHOAW-UPJWGTAASA-N 0 3 265.288 1.043 20 5 CDBDHN NCc1cn(-c2cnc3ccc([N+](=O)[O-])cc3n2)cn1 ZINC001154906646 937602916 /nfs/dbraw/zinc/60/29/16/937602916.db2.gz LWJMQVFOEUCWPT-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCCCF)cc1 ZINC001120495674 937803852 /nfs/dbraw/zinc/80/38/52/937803852.db2.gz RPYSBUXJANCRNB-UHFFFAOYSA-N 0 3 290.316 1.318 20 5 CDBDHN COc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCCN1C ZINC001120972281 937850762 /nfs/dbraw/zinc/85/07/62/937850762.db2.gz PRCNUQAQCABDAG-SNVBAGLBSA-N 0 3 280.328 1.895 20 5 CDBDHN COc1cc(N2C[C@H]3CCCN(C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001157266648 938472669 /nfs/dbraw/zinc/47/26/69/938472669.db2.gz VRSGURSMRGHPQM-PWSUYJOCSA-N 0 3 292.339 1.529 20 5 CDBDHN CC(C)N1CCN(c2cccc([N+](=O)[O-])n2)C[C@@H]1C ZINC001158494130 938629912 /nfs/dbraw/zinc/62/99/12/938629912.db2.gz CUUREQKTQUXVPG-NSHDSACASA-N 0 3 264.329 1.909 20 5 CDBDHN COc1cnc(Nc2ccc(CN)nc2)c([N+](=O)[O-])c1 ZINC001160402175 938784367 /nfs/dbraw/zinc/78/43/67/938784367.db2.gz MRFUOYCHMYTJHA-UHFFFAOYSA-N 0 3 275.268 1.596 20 5 CDBDHN Cc1cc(CN)nn1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001163985365 939371995 /nfs/dbraw/zinc/37/19/95/939371995.db2.gz NVZRFHSZDGFYLW-UHFFFAOYSA-N 0 3 272.268 1.195 20 5 CDBDHN O=[N+]([O-])c1cccc2nc(-n3cnc4c3CNCC4)ccc21 ZINC001164313221 939452146 /nfs/dbraw/zinc/45/21/46/939452146.db2.gz BIDQWMVADMFIRD-UHFFFAOYSA-N 0 3 295.302 1.974 20 5 CDBDHN COc1ncc(Nc2cnc(C)n2C)cc1[N+](=O)[O-] ZINC001210137425 940666149 /nfs/dbraw/zinc/66/61/49/940666149.db2.gz YSBAUMOJBJXJDM-UHFFFAOYSA-N 0 3 263.257 1.784 20 5 CDBDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000400987675 940862401 /nfs/dbraw/zinc/86/24/01/940862401.db2.gz ZHKZXKFDGZUEFF-GXFFZTMASA-N 0 3 279.340 1.975 20 5 CDBDHN CN1CCC(Oc2c(O)cccc2[N+](=O)[O-])CC1 ZINC001226334949 941989436 /nfs/dbraw/zinc/98/94/36/941989436.db2.gz CDRGRWOVAQDQGC-UHFFFAOYSA-N 0 3 252.270 1.773 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1nncc3n[nH]cc31)C2 ZINC001230894529 942726757 /nfs/dbraw/zinc/72/67/57/942726757.db2.gz ALGDERWMDUIKLH-LLVKDONJSA-N 0 3 297.274 1.807 20 5 CDBDHN CC(=O)N/C(=C/c1cccs1)C(=O)OCC(C)[N+](=O)[O-] ZINC001525760335 970983804 /nfs/dbraw/zinc/98/38/04/970983804.db2.gz YWXOSJGPNWFROM-KIFNTFBYSA-N 0 3 298.320 1.434 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CC[C@H](OC)C2)c1[N+](=O)[O-] ZINC001262365978 946612728 /nfs/dbraw/zinc/61/27/28/946612728.db2.gz QSCKJADKFILUMK-MNOVXSKESA-N 0 3 296.323 1.966 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N1CCCC1 ZINC001254534740 947515829 /nfs/dbraw/zinc/51/58/29/947515829.db2.gz CIKPEBHINJTPOQ-LBPRGKRZSA-N 0 3 291.351 1.738 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](O)C1 ZINC001254550325 947522717 /nfs/dbraw/zinc/52/27/17/947522717.db2.gz HRFWQIPIVFJXPP-DGCLKSJQSA-N 0 3 264.325 1.983 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1CCOC[C@H]1F)C2 ZINC001254579560 947537386 /nfs/dbraw/zinc/53/73/86/947537386.db2.gz STPBXVJSEFVAPU-MRVWCRGKSA-N 0 3 280.299 1.779 20 5 CDBDHN COCC1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597824 947544976 /nfs/dbraw/zinc/54/49/76/947544976.db2.gz HVHCZYIXWYWEND-AWEZNQCLSA-N 0 3 262.309 1.640 20 5 CDBDHN C[C@@H]1C[C@H](C)CN(CCn2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001328047576 955171850 /nfs/dbraw/zinc/17/18/50/955171850.db2.gz XRAJEQFCLPLTAB-AOOOYVTPSA-N 0 3 297.315 1.677 20 5 CDBDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCC[N+](=O)[O-])C12CCC2 ZINC001336837861 960646501 /nfs/dbraw/zinc/64/65/01/960646501.db2.gz BODLZTLDAZWJNU-WDEREUQCSA-N 0 3 299.371 1.689 20 5 CDBDHN CN1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001337483344 961224877 /nfs/dbraw/zinc/22/48/77/961224877.db2.gz YWYNUPPKXIYINA-CYBMUJFWSA-N 0 3 277.324 1.809 20 5 CDBDHN CN1CC[C@@](O)(CNc2ccsc2[N+](=O)[O-])C1 ZINC000601144918 342481263 /nfs/dbraw/zinc/48/12/63/342481263.db2.gz YFLSYOYSQGZOLI-SNVBAGLBSA-N 0 3 257.315 1.135 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1C[C@@H](CO)C1 ZINC000601291769 342549818 /nfs/dbraw/zinc/54/98/18/342549818.db2.gz NKFGOTTXGFOCCM-GBIKHYSHSA-N 0 3 262.309 1.943 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000601232530 342537705 /nfs/dbraw/zinc/53/77/05/342537705.db2.gz RULLKUIKGYNDBO-NXEZZACHSA-N 0 3 295.314 1.946 20 5 CDBDHN COC[C@H](C)OC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000234743058 342046730 /nfs/dbraw/zinc/04/67/30/342046730.db2.gz SGEFOXGNHLWPDI-FZMZJTMJSA-N 0 3 298.339 1.097 20 5 CDBDHN C[C@@H](O)CN(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000594054894 342872808 /nfs/dbraw/zinc/87/28/08/342872808.db2.gz HFYFJKXXZQZKCN-LLVKDONJSA-N 0 3 280.324 1.819 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000594201685 342879903 /nfs/dbraw/zinc/87/99/03/342879903.db2.gz PGFQPJJAORTTFO-QWRGUYRKSA-N 0 3 293.323 1.935 20 5 CDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609382342 342263843 /nfs/dbraw/zinc/26/38/43/342263843.db2.gz AOIPJMGGOHCTHI-SNVBAGLBSA-N 0 3 278.312 1.137 20 5 CDBDHN C[C@H](NCc1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000594964904 342990528 /nfs/dbraw/zinc/99/05/28/342990528.db2.gz CTEUHPCZXVFXCE-JTQLQIEISA-N 0 3 250.298 1.845 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2C[C@@H]2C1 ZINC000595810271 343160703 /nfs/dbraw/zinc/16/07/03/343160703.db2.gz LLBBJZMKKSPZSL-JHJVBQTASA-N 0 3 292.335 1.676 20 5 CDBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000596110603 343229990 /nfs/dbraw/zinc/22/99/90/343229990.db2.gz QPAVXFQNYPFAIZ-QMMMGPOBSA-N 0 3 266.301 1.590 20 5 CDBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000596110603 343229991 /nfs/dbraw/zinc/22/99/91/343229991.db2.gz QPAVXFQNYPFAIZ-QMMMGPOBSA-N 0 3 266.301 1.590 20 5 CDBDHN CC(=O)N1CC[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598648453 343857179 /nfs/dbraw/zinc/85/71/79/343857179.db2.gz SAROHXIYOHDFBZ-KXQLTZBTSA-N 0 3 289.335 1.818 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)Nc1ccc([N+](=O)[O-])cc1 ZINC000598915206 343919639 /nfs/dbraw/zinc/91/96/39/343919639.db2.gz KPDJUPIVHVMTJM-WPRPVWTQSA-N 0 3 282.275 1.416 20 5 CDBDHN CN(C)C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601645863 344211437 /nfs/dbraw/zinc/21/14/37/344211437.db2.gz SGIUZOKMHKVYOW-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000601675947 344218600 /nfs/dbraw/zinc/21/86/00/344218600.db2.gz PRTSICNNBWRDTM-LLVKDONJSA-N 0 3 295.314 1.804 20 5 CDBDHN COC[C@@](C)(CO)NCc1cccc([N+](=O)[O-])c1C ZINC000602014750 344313881 /nfs/dbraw/zinc/31/38/81/344313881.db2.gz WIRUKCSDTLOPNI-CYBMUJFWSA-N 0 3 268.313 1.390 20 5 CDBDHN CCN[C@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000602459122 344438573 /nfs/dbraw/zinc/43/85/73/344438573.db2.gz OZMZNSKTTCEPOV-SECBINFHSA-N 0 3 263.297 1.482 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2ccc(CO)cc2)c1 ZINC000602566834 344483643 /nfs/dbraw/zinc/48/36/43/344483643.db2.gz BWIHRFUFSIAJIM-UHFFFAOYSA-N 0 3 276.296 1.073 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@@H](C)[C@H]1C ZINC000602795319 344586689 /nfs/dbraw/zinc/58/66/89/344586689.db2.gz AIBMAMAPOXRDCQ-WDEREUQCSA-N 0 3 281.360 1.124 20 5 CDBDHN CN(C)[C@]1(CNc2cccnc2[N+](=O)[O-])CCSC1 ZINC000610489116 346293088 /nfs/dbraw/zinc/29/30/88/346293088.db2.gz JKNCOWWMZOPJFY-LBPRGKRZSA-N 0 3 282.369 1.839 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN(C)C1CC1 ZINC000091549822 180189114 /nfs/dbraw/zinc/18/91/14/180189114.db2.gz JUVUMXYPGPOHMN-UHFFFAOYSA-N 0 3 267.333 1.626 20 5 CDBDHN COc1ccc(CN[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000109546875 186261676 /nfs/dbraw/zinc/26/16/76/186261676.db2.gz DWZTZQOPTYTCMT-LLVKDONJSA-N 0 3 266.297 1.872 20 5 CDBDHN CC[C@H](N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136481636 363110951 /nfs/dbraw/zinc/11/09/51/363110951.db2.gz QJUZMZPQAYGGBO-QMMMGPOBSA-N 0 3 253.258 1.279 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000292074023 198153262 /nfs/dbraw/zinc/15/32/62/198153262.db2.gz DYRYAZPENMVENU-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000153468080 188084762 /nfs/dbraw/zinc/08/47/62/188084762.db2.gz NMVDJJSJOLDVJX-CYBMUJFWSA-N 0 3 277.324 1.761 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN[C@@H](CCO)c2ccccc2)c1 ZINC000271717092 191288392 /nfs/dbraw/zinc/28/83/92/191288392.db2.gz WAVSLPZXNKJQCM-AWEZNQCLSA-N 0 3 290.323 1.505 20 5 CDBDHN CN1CC=C(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000271773351 191317316 /nfs/dbraw/zinc/31/73/16/191317316.db2.gz CAIGFYDOLGJWIX-UHFFFAOYSA-N 0 3 261.325 1.946 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCCN1C ZINC000283374564 357554650 /nfs/dbraw/zinc/55/46/50/357554650.db2.gz RFNUCHWTAONBSK-CQSZACIVSA-N 0 3 291.351 1.690 20 5 CDBDHN CCOC(=O)N1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000185794843 357577259 /nfs/dbraw/zinc/57/72/59/357577259.db2.gz OBOVPEWPBBHVIN-LBPRGKRZSA-N 0 3 293.323 1.915 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[C@H](O)C1 ZINC000188833714 357943272 /nfs/dbraw/zinc/94/32/72/357943272.db2.gz STNINQOWCIWBDE-PWSUYJOCSA-N 0 3 250.298 1.845 20 5 CDBDHN COC(=O)c1cnc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000190164815 358056504 /nfs/dbraw/zinc/05/65/04/358056504.db2.gz UKDOBVRHQTVEQG-UHFFFAOYSA-N 0 3 294.311 1.284 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000193631755 358310306 /nfs/dbraw/zinc/31/03/06/358310306.db2.gz UNOXACGCEUHTSR-MFKMUULPSA-N 0 3 293.323 1.088 20 5 CDBDHN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000251607938 366516425 /nfs/dbraw/zinc/51/64/25/366516425.db2.gz DJABZBXMZMYFME-ZWNOBZJWSA-N 0 3 278.308 1.836 20 5 CDBDHN Cc1nc(N2CCN(C)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450330750 358891910 /nfs/dbraw/zinc/89/19/10/358891910.db2.gz POCVDBASTFIYAP-VIFPVBQESA-N 0 3 265.317 1.224 20 5 CDBDHN CCN(C[C@H](C)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291317002 358929259 /nfs/dbraw/zinc/92/92/59/358929259.db2.gz UGVPAQWBRIMNEW-SMDDNHRTSA-N 0 3 282.340 1.985 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@]1(O)CCOC1 ZINC000539044173 358943248 /nfs/dbraw/zinc/94/32/48/358943248.db2.gz KFSLDTSDOGXKLH-SMDDNHRTSA-N 0 3 280.324 1.705 20 5 CDBDHN CN(CC[C@H]1CCCO1)CCn1cc([N+](=O)[O-])cn1 ZINC000342590405 359125503 /nfs/dbraw/zinc/12/55/03/359125503.db2.gz CNDVWNSWOFXTOK-GFCCVEGCSA-N 0 3 268.317 1.292 20 5 CDBDHN CCO[C@@H]1COCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000353190644 359581124 /nfs/dbraw/zinc/58/11/24/359581124.db2.gz OLRNCPLZCPRLGA-ZIAGYGMSSA-N 0 3 280.324 1.878 20 5 CDBDHN O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCN1 ZINC000237891357 360087884 /nfs/dbraw/zinc/08/78/84/360087884.db2.gz DYLRFOZZAHYPPA-LBPRGKRZSA-N 0 3 277.324 1.396 20 5 CDBDHN COC[C@H](O)CCNCc1ccccc1[N+](=O)[O-] ZINC000153739974 360221952 /nfs/dbraw/zinc/22/19/52/360221952.db2.gz CELVQQPGRLASOC-LLVKDONJSA-N 0 3 254.286 1.082 20 5 CDBDHN Cc1cnn([C@H]2CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000289709515 360371148 /nfs/dbraw/zinc/37/11/48/360371148.db2.gz CFKGISHMQMGDLX-LBPRGKRZSA-N 0 3 290.327 1.243 20 5 CDBDHN Cc1nn(C)c(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000047331239 361028962 /nfs/dbraw/zinc/02/89/62/361028962.db2.gz ILWHWKKQTADXIA-UHFFFAOYSA-N 0 3 279.344 1.675 20 5 CDBDHN C[C@H](N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295211001 239304328 /nfs/dbraw/zinc/30/43/28/239304328.db2.gz UQWBUFKBMFAJNQ-GWCFXTLKSA-N 0 3 282.340 1.719 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N(C)C ZINC000037985606 363963026 /nfs/dbraw/zinc/96/30/26/363963026.db2.gz JRXWXQYZQIFOMB-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN NC(=O)C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367710483 364823897 /nfs/dbraw/zinc/82/38/97/364823897.db2.gz YUAUZLAECOMZHH-PYEVWLCESA-N 0 3 289.335 1.805 20 5 CDBDHN CN1CC=C(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000271927704 367036574 /nfs/dbraw/zinc/03/65/74/367036574.db2.gz LUZFWJFURZPGNE-UHFFFAOYSA-N 0 3 290.323 1.169 20 5 CDBDHN CCN1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272428158 367731497 /nfs/dbraw/zinc/73/14/97/367731497.db2.gz KZTPHRULYOBVRT-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN[C@H](C)C1 ZINC000420332078 244096893 /nfs/dbraw/zinc/09/68/93/244096893.db2.gz FXSKJOGIDIGPNC-LLVKDONJSA-N 0 3 292.339 1.135 20 5 CDBDHN COc1ccc(OCCN2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000351836722 369782381 /nfs/dbraw/zinc/78/23/81/369782381.db2.gz WYMHDTRBZSWPJN-GXFFZTMASA-N 0 3 296.323 1.295 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1 ZINC000368200423 371907642 /nfs/dbraw/zinc/90/76/42/371907642.db2.gz JHCNQYHWUAWKLE-UWVGGRQHSA-N 0 3 267.260 1.025 20 5 CDBDHN Cc1c(CC(=O)N2C[C@H](C)NC[C@H]2C)cccc1[N+](=O)[O-] ZINC000237613112 371933551 /nfs/dbraw/zinc/93/35/51/371933551.db2.gz FRZNGFPPCFDMPY-WDEREUQCSA-N 0 3 291.351 1.655 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3C[C@@H](O)C3)C2)nc1 ZINC000420935033 374304054 /nfs/dbraw/zinc/30/40/54/374304054.db2.gz LEOJALYIZPAQCF-WZRBSPASSA-N 0 3 292.339 1.247 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)[C@]2(F)CCNC2)cc1[N+](=O)[O-] ZINC000376694461 374566964 /nfs/dbraw/zinc/56/69/64/374566964.db2.gz HNANICHNXRXGGD-YGRLFVJLSA-N 0 3 295.314 1.782 20 5 CDBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000331418598 374949934 /nfs/dbraw/zinc/94/99/34/374949934.db2.gz QYRIWNBUPMAOGM-JTQLQIEISA-N 0 3 292.339 1.670 20 5 CDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCNC[C@H]1F ZINC001580570146 1172470099 /nfs/dbraw/zinc/47/00/99/1172470099.db2.gz OIZGMVPNUSMZEI-MNOVXSKESA-N 0 3 299.277 1.093 20 5 CDBDHN CC[C@](C)(O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000096478761 375105087 /nfs/dbraw/zinc/10/50/87/375105087.db2.gz NCCXENMDUPAOJC-ZDUSSCGKSA-N 0 3 268.313 1.854 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCO ZINC000347336611 375573870 /nfs/dbraw/zinc/57/38/70/375573870.db2.gz BDJPAWBIDOODPY-FLIBITNWSA-N 0 3 250.298 1.922 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCCN(C)C1 ZINC000356816182 375862966 /nfs/dbraw/zinc/86/29/66/375862966.db2.gz PKJCYVJYFLTCPC-JTQLQIEISA-N 0 3 280.328 1.100 20 5 CDBDHN C[C@@H]1[C@H](C)N(CCOc2ccccc2[N+](=O)[O-])CCN1C ZINC000357064872 375881540 /nfs/dbraw/zinc/88/15/40/375881540.db2.gz JREOIKJIRWOQNM-OLZOCXBDSA-N 0 3 293.367 1.998 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CNCCO2)c1 ZINC000134272841 375946416 /nfs/dbraw/zinc/94/64/16/375946416.db2.gz CXLPJHOWBYYRDB-JTQLQIEISA-N 0 3 251.286 1.304 20 5 CDBDHN COc1ccc(CNCCOCC(F)F)cc1[N+](=O)[O-] ZINC000190902198 376758060 /nfs/dbraw/zinc/75/80/60/376758060.db2.gz DIUBSSAKLOXODP-UHFFFAOYSA-N 0 3 290.266 1.975 20 5 CDBDHN O=C1CCC[C@@H](CNC/C=C/c2ccccc2[N+](=O)[O-])N1 ZINC000433189852 248005305 /nfs/dbraw/zinc/00/53/05/248005305.db2.gz DZEMHLSFRZVQAM-BPJJOFIESA-N 0 3 289.335 1.866 20 5 CDBDHN COc1ccc(CNC[C@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000188857762 377097388 /nfs/dbraw/zinc/09/73/88/377097388.db2.gz MGYJPAHNCZBRGA-JQWIXIFHSA-N 0 3 280.324 1.854 20 5 CDBDHN CN(c1ncccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000265969487 190219374 /nfs/dbraw/zinc/21/93/74/190219374.db2.gz AWSNWGHNIXQJNO-JTQLQIEISA-N 0 3 250.302 1.520 20 5 CDBDHN C[C@@H](NCC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000173329039 378164835 /nfs/dbraw/zinc/16/48/35/378164835.db2.gz ZDWJIKSZJKTTIF-SECBINFHSA-N 0 3 265.313 1.757 20 5 CDBDHN CSc1ccc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000267158076 190307679 /nfs/dbraw/zinc/30/76/79/190307679.db2.gz YFCRQIXLZZMROA-UHFFFAOYSA-N 0 3 297.380 1.950 20 5 CDBDHN CCNC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449223726 250753063 /nfs/dbraw/zinc/75/30/63/250753063.db2.gz YRKSAOSZVXEEBW-SNVBAGLBSA-N 0 3 265.313 1.252 20 5 CDBDHN CN(C)C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000268188901 190384846 /nfs/dbraw/zinc/38/48/46/190384846.db2.gz RYAZWFCAHGDRPA-SECBINFHSA-N 0 3 283.353 1.823 20 5 CDBDHN CCC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557882 251338718 /nfs/dbraw/zinc/33/87/18/251338718.db2.gz BZAICDLEPHMVPN-AAEUAGOBSA-N 0 3 294.355 1.637 20 5 CDBDHN CN1CCC[C@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491863464 253106846 /nfs/dbraw/zinc/10/68/46/253106846.db2.gz CJGZBZJBSVTGHS-DANTVBBOSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@@H](NC[C@H](O)CN(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000289312479 197293297 /nfs/dbraw/zinc/29/32/97/197293297.db2.gz FDQZDDXJNJIVKM-ABAIWWIYSA-N 0 3 293.367 1.701 20 5 CDBDHN CN(C[C@H](O)CN1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000289309305 197292075 /nfs/dbraw/zinc/29/20/75/197292075.db2.gz DUHQGYSDYKADOC-LBPRGKRZSA-N 0 3 291.351 1.412 20 5 CDBDHN CSCCCN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000281323819 195197605 /nfs/dbraw/zinc/19/76/05/195197605.db2.gz IXOTWVDVKQTLNB-UHFFFAOYSA-N 0 3 258.347 1.476 20 5 CDBDHN COc1ccc(OCCN(C)C[C@H](C)OC)c([N+](=O)[O-])c1 ZINC000285874501 390186341 /nfs/dbraw/zinc/18/63/41/390186341.db2.gz YJVDQKVDBDFJNL-NSHDSACASA-N 0 3 298.339 1.949 20 5 CDBDHN CC(C)N1CC[C@H](N(C)c2ncccc2[N+](=O)[O-])C1 ZINC000450953094 390581836 /nfs/dbraw/zinc/58/18/36/390581836.db2.gz WYWQNIHRGUGUTB-NSHDSACASA-N 0 3 264.329 1.909 20 5 CDBDHN CN(C)C1(CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000416305118 391985209 /nfs/dbraw/zinc/98/52/09/391985209.db2.gz WGWQXIBMJXEKGP-UHFFFAOYSA-N 0 3 269.326 1.480 20 5 CDBDHN COc1ccc(CNCC2(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421349800 392931328 /nfs/dbraw/zinc/93/13/28/392931328.db2.gz JLWXKDLEDJJDQQ-UHFFFAOYSA-N 0 3 293.323 1.349 20 5 CDBDHN C[C@@H](NCCN1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532214820 393069165 /nfs/dbraw/zinc/06/91/65/393069165.db2.gz NEJRZSQNRPEVAZ-CHWSQXEVSA-N 0 3 293.367 1.966 20 5 CDBDHN Cc1c(CNC(=O)[C@@H]2C[C@@H](C)CCN2)cccc1[N+](=O)[O-] ZINC000231856049 140219461 /nfs/dbraw/zinc/21/94/61/140219461.db2.gz FYDLMXPOUORDEG-GWCFXTLKSA-N 0 3 291.351 1.908 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](CO)C1 ZINC000255845699 140336120 /nfs/dbraw/zinc/33/61/20/140336120.db2.gz NHGOUUOXSARHRP-FHMRSRPSSA-N 0 3 262.309 1.922 20 5 CDBDHN C[C@@H]1NCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262763070 149111514 /nfs/dbraw/zinc/11/15/14/149111514.db2.gz IULFBGWWZARNJO-QWRGUYRKSA-N 0 3 292.339 1.216 20 5 CDBDHN C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000305769029 149158417 /nfs/dbraw/zinc/15/84/17/149158417.db2.gz VSBNXKPUPPBVPH-SMDDNHRTSA-N 0 3 280.324 1.676 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000313971631 149249998 /nfs/dbraw/zinc/24/99/98/149249998.db2.gz UDYYFMXCWUIAKM-NSHDSACASA-N 0 3 295.314 1.900 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000334041756 149305850 /nfs/dbraw/zinc/30/58/50/149305850.db2.gz BQUJAPHEJRRLOR-KOLCDFICSA-N 0 3 292.339 1.511 20 5 CDBDHN C[C@@H]1CCN(C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000354006126 156220035 /nfs/dbraw/zinc/22/00/35/156220035.db2.gz KRYRSVMFHPFFJV-GFCCVEGCSA-N 0 3 291.351 1.690 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362083891 159065643 /nfs/dbraw/zinc/06/56/43/159065643.db2.gz BVGWHCLFODJPOA-VXGBXAGGSA-N 0 3 280.324 1.534 20 5 CDBDHN CC(C)[C@@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285101958 196197213 /nfs/dbraw/zinc/19/72/13/196197213.db2.gz KJBVLZHKFPLCKE-ZANVPECISA-N 0 3 267.329 1.845 20 5 CDBDHN C[C@H]1CN(C)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000071889230 176290963 /nfs/dbraw/zinc/29/09/63/176290963.db2.gz XNWQXQOWROTARO-LBPRGKRZSA-N 0 3 263.341 1.773 20 5 CDBDHN C[C@H](CN1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000078543539 177352358 /nfs/dbraw/zinc/35/23/58/177352358.db2.gz XLLMNRXJDLYOAL-GFCCVEGCSA-N 0 3 278.356 1.643 20 5 CDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)CN1 ZINC000261548489 274369621 /nfs/dbraw/zinc/36/96/21/274369621.db2.gz BYBJJHRLYRUXBD-HTQZYQBOSA-N 0 3 270.720 1.830 20 5 CDBDHN C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CCN1 ZINC000420191214 274368804 /nfs/dbraw/zinc/36/88/04/274368804.db2.gz HLCPNHOFBQSGIH-SNVBAGLBSA-N 0 3 272.308 1.941 20 5 CDBDHN CCN1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000125227776 276165432 /nfs/dbraw/zinc/16/54/32/276165432.db2.gz JLVQOVRVFYYPQU-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN CN1CCC[C@H]2CN(c3ncc([N+](=O)[O-])s3)CC[C@@H]21 ZINC000192493964 277084975 /nfs/dbraw/zinc/08/49/75/277084975.db2.gz NHCKMWPNOUVQQO-UWVGGRQHSA-N 0 3 282.369 1.972 20 5 CDBDHN CO[C@@H]1COC[C@@H]1N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000459756987 277303505 /nfs/dbraw/zinc/30/35/05/277303505.db2.gz OQLAIHNGHVAWIY-SCDSUCTJSA-N 0 3 280.324 1.529 20 5 CDBDHN C[C@@H](N[C@H]1CCC(=O)NC1)c1ccc([N+](=O)[O-])cc1 ZINC000111015477 278381112 /nfs/dbraw/zinc/38/11/12/278381112.db2.gz IEWKTEFDDQFKSC-KOLCDFICSA-N 0 3 263.297 1.524 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)COCC2CC2)c1 ZINC000051634451 279180970 /nfs/dbraw/zinc/18/09/70/279180970.db2.gz VSVYQZNHOZLHKZ-AWEZNQCLSA-N 0 3 280.324 1.472 20 5 CDBDHN C[C@H](CN1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000356253774 279305845 /nfs/dbraw/zinc/30/58/45/279305845.db2.gz NBPHFEQMXFWQOD-LLVKDONJSA-N 0 3 294.355 1.917 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000520977279 281062569 /nfs/dbraw/zinc/06/25/69/281062569.db2.gz GKMSKQKOGNPNRU-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000086467556 288327769 /nfs/dbraw/zinc/32/77/69/288327769.db2.gz OFIOEXIBSHLNBX-DTWKUNHWSA-N 0 3 281.287 1.556 20 5 CDBDHN C[C@@H]1C[C@@H](C)CN(CCn2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000584242649 327125994 /nfs/dbraw/zinc/12/59/94/327125994.db2.gz BFUSHESPUSLLKA-GHMZBOCLSA-N 0 3 297.330 1.874 20 5 CDBDHN CCN(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000071969741 521119324 /nfs/dbraw/zinc/11/93/24/521119324.db2.gz XQJGBWCFECLYJR-UHFFFAOYSA-N 0 3 254.286 1.288 20 5 CDBDHN COc1cc(C(=O)NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000416305407 518130387 /nfs/dbraw/zinc/13/03/87/518130387.db2.gz XGQNPNHSNLQXAA-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000078727821 522923188 /nfs/dbraw/zinc/92/31/88/522923188.db2.gz LRZWMDAIFCWELU-UHFFFAOYSA-N 0 3 268.313 1.676 20 5 CDBDHN C[C@@H](Cn1cccn1)NCc1cccc([N+](=O)[O-])c1 ZINC000035272176 524954345 /nfs/dbraw/zinc/95/43/45/524954345.db2.gz MGMYKUYNAZWSFU-NSHDSACASA-N 0 3 260.297 1.970 20 5 CDBDHN COc1cc(CN[C@H]2CCN(C)C2)c([N+](=O)[O-])cc1OC ZINC000729681621 574820517 /nfs/dbraw/zinc/82/05/17/574820517.db2.gz FPRLFYHMIATBDJ-NSHDSACASA-N 0 3 295.339 1.406 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](CO)C3CC3)nc2c1 ZINC000769794062 575385360 /nfs/dbraw/zinc/38/53/60/575385360.db2.gz GACYZWNDRTZRPA-LBPRGKRZSA-N 0 3 276.296 1.332 20 5 CDBDHN O=C(CCn1cc([N+](=O)[O-])cn1)OCCN1CCCCC1 ZINC000770360774 575440880 /nfs/dbraw/zinc/44/08/80/575440880.db2.gz HVPHRDXOLPZNAC-UHFFFAOYSA-N 0 3 296.327 1.211 20 5 CDBDHN C[C@@H]1[C@@H](C)N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000771463804 575581406 /nfs/dbraw/zinc/58/14/06/575581406.db2.gz ZKSZMMDTSCRQED-LALPHHSUSA-N 0 3 293.367 1.653 20 5 CDBDHN CCN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749694339 576958384 /nfs/dbraw/zinc/95/83/84/576958384.db2.gz VYDGFMHPHFPFGG-DOMZBBRYSA-N 0 3 293.367 1.654 20 5 CDBDHN CC(COC(=O)c1cccnc1C(F)F)[N+](=O)[O-] ZINC000893046445 618094029 /nfs/dbraw/zinc/09/40/29/618094029.db2.gz BWVFGBGZNGIIBA-LURJTMIESA-N 0 3 260.196 1.841 20 5 CDBDHN COc1c(O)ccc(CN[C@H]2COC[C@H]2C)c1[N+](=O)[O-] ZINC000896733874 620216793 /nfs/dbraw/zinc/21/67/93/620216793.db2.gz SRPCRIYXCDTRSS-SCZZXKLOSA-N 0 3 282.296 1.434 20 5 CDBDHN CO[C@@H]1CCOC[C@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000897890045 621194757 /nfs/dbraw/zinc/19/47/57/621194757.db2.gz FYVBSZIUROSMGR-GZBFAFLISA-N 0 3 292.335 1.976 20 5 CDBDHN CO[C@](C)(CNCC[N+](=O)[O-])COCc1ccccc1 ZINC000899893929 622515329 /nfs/dbraw/zinc/51/53/29/622515329.db2.gz XDSXZHULZHMRKG-CQSZACIVSA-N 0 3 282.340 1.475 20 5 CDBDHN Cc1cc(F)ccc1N1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905123720 626634349 /nfs/dbraw/zinc/63/43/49/626634349.db2.gz LSBMSLGSERRBJR-CYBMUJFWSA-N 0 3 281.331 1.969 20 5 CDBDHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNCC[N+](=O)[O-] ZINC000905240918 626719928 /nfs/dbraw/zinc/71/99/28/626719928.db2.gz BODYDVIVUVIFSZ-SNVBAGLBSA-N 0 3 275.349 1.498 20 5 CDBDHN Cc1cc(N2CCN(C)CC2)ccc1NCC[N+](=O)[O-] ZINC000905298375 626723839 /nfs/dbraw/zinc/72/38/39/626723839.db2.gz ARRHAJQBYCYTFQ-UHFFFAOYSA-N 0 3 278.356 1.435 20 5 CDBDHN CC(COC(=O)CCc1cccnc1Cl)[N+](=O)[O-] ZINC000851036229 688264976 /nfs/dbraw/zinc/26/49/76/688264976.db2.gz GPGFANVUUNTVOH-MRVPVSSYSA-N 0 3 272.688 1.876 20 5 CDBDHN Cc1c(CN[C@@H](C)C[S@](C)=O)cccc1[N+](=O)[O-] ZINC000168922317 694191251 /nfs/dbraw/zinc/19/12/51/694191251.db2.gz ZCNMUXYJMJQLKK-NIVTXAMTSA-N 0 3 270.354 1.760 20 5 CDBDHN Cn1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000105909042 688399511 /nfs/dbraw/zinc/39/95/11/688399511.db2.gz DXCZTXJDAHZHGD-ZDUSSCGKSA-N 0 3 276.296 1.152 20 5 CDBDHN CC(C)COC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000049592665 694278552 /nfs/dbraw/zinc/27/85/52/694278552.db2.gz ZFFRWVDDSXFFFF-CQSZACIVSA-N 0 3 282.340 1.718 20 5 CDBDHN Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@H]4C[C@H]4N3)n2)n1C ZINC000823094390 694386297 /nfs/dbraw/zinc/38/62/97/694386297.db2.gz QUWZZBDKWPWXTG-PRJMDXOYSA-N 0 3 290.283 1.110 20 5 CDBDHN COc1ccn2c(C(=O)OCC(C)[N+](=O)[O-])cnc2c1 ZINC000821166915 694541789 /nfs/dbraw/zinc/54/17/89/694541789.db2.gz KKAIPQMPHWOHMB-QMMMGPOBSA-N 0 3 279.252 1.165 20 5 CDBDHN CC(COC(=O)c1cnn(-c2ccncc2)c1)[N+](=O)[O-] ZINC000835455816 693167791 /nfs/dbraw/zinc/16/77/91/693167791.db2.gz PGGQOBPHZWDHCP-SECBINFHSA-N 0 3 276.252 1.089 20 5 CDBDHN CC(COC(=O)C1SCCCS1)[N+](=O)[O-] ZINC000842363322 693305327 /nfs/dbraw/zinc/30/53/27/693305327.db2.gz FULDZFCFCPSONF-ZCFIWIBFSA-N 0 3 251.329 1.391 20 5 CDBDHN COc1cccc2c1OCC(C(=O)OCC(C)[N+](=O)[O-])=C2 ZINC000813113909 693396267 /nfs/dbraw/zinc/39/62/67/693396267.db2.gz VZHWKEQNLIMWKR-SECBINFHSA-N 0 3 293.275 1.679 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)OC(F)(F)O2)[N+](=O)[O-] ZINC000835454517 694679642 /nfs/dbraw/zinc/67/96/42/694679642.db2.gz KEZSDNNCZARHPH-ZCFIWIBFSA-N 0 3 289.190 1.830 20 5 CDBDHN CC(C)NC(=O)c1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813103865 693425282 /nfs/dbraw/zinc/42/52/82/693425282.db2.gz HMEJOBMTROHVNK-JTQLQIEISA-N 0 3 294.307 1.647 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000884140092 694808732 /nfs/dbraw/zinc/80/87/32/694808732.db2.gz KFPAFPZOYKBEKW-NSHDSACASA-N 0 3 275.308 1.611 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000796205268 694851952 /nfs/dbraw/zinc/85/19/52/694851952.db2.gz XCFZZDOPHNRUNA-KBPBESRZSA-N 0 3 280.324 1.739 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000886264331 694856826 /nfs/dbraw/zinc/85/68/26/694856826.db2.gz WXNNPATUZIVLON-PWSUYJOCSA-N 0 3 263.297 1.601 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C(C)(C)O)CC1 ZINC000879629113 695112639 /nfs/dbraw/zinc/11/26/39/695112639.db2.gz HEHYTXQSRGYEBT-UHFFFAOYSA-N 0 3 296.371 1.583 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1-c1cccs1)[N+](=O)[O-] ZINC000813109014 695128695 /nfs/dbraw/zinc/12/86/95/695128695.db2.gz DHCQSLLISQOVFN-QMMMGPOBSA-N 0 3 295.320 1.971 20 5 CDBDHN Cc1c(N[C@H](C)[C@@H]2CNCCO2)cc(F)cc1[N+](=O)[O-] ZINC001170567780 1162950839 /nfs/dbraw/zinc/95/08/39/1162950839.db2.gz LUWBTGQVDZWAQN-RNCFNFMXSA-N 0 3 283.303 1.831 20 5 CDBDHN O=C(Oc1c(F)cc(F)cc1[N+](=O)[O-])OC1CNC1 ZINC001580802921 1172545625 /nfs/dbraw/zinc/54/56/25/1172545625.db2.gz FOKKELKVOYJPAJ-UHFFFAOYSA-N 0 3 274.179 1.360 20 5 CDBDHN C[C@H](CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[NH+](C)C ZINC001589876756 1173191957 /nfs/dbraw/zinc/19/19/57/1173191957.db2.gz PMUAPRLXUWIUIX-MRVPVSSYSA-N 0 3 291.315 1.137 20 5 CDBDHN Cc1nc(Cl)nc(N(C)CCN2CCCC2)c1[N+](=O)[O-] ZINC000234306172 1178217244 /nfs/dbraw/zinc/21/72/44/1178217244.db2.gz MXAZVHZHYQSEEL-UHFFFAOYSA-N 0 3 299.762 1.879 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000401211993 1186406666 /nfs/dbraw/zinc/40/66/66/1186406666.db2.gz AMGBLAVWOPPNHM-VWYCJHECSA-N 0 3 277.324 1.806 20 5 CDBDHN CC(COC(=O)CCCNC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813110831 1163815412 /nfs/dbraw/zinc/81/54/12/1163815412.db2.gz KIASLBKFBKDITL-LLVKDONJSA-N 0 3 294.307 1.405 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@H](c2ccccn2)C2CC2)n1 ZINC000932378028 723260070 /nfs/dbraw/zinc/26/00/70/723260070.db2.gz KGUTZFNRROWIET-AWEZNQCLSA-N 0 3 287.323 1.927 20 5 CDBDHN CC(COC(=O)c1ncccc1Br)[N+](=O)[O-] ZINC000838964711 723280347 /nfs/dbraw/zinc/28/03/47/723280347.db2.gz JHVDWQNBZOXOMU-ZCFIWIBFSA-N 0 3 289.085 1.666 20 5 CDBDHN C[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000124298735 723329208 /nfs/dbraw/zinc/32/92/08/723329208.db2.gz MGVQSANZFJFNAZ-ZETCQYMHSA-N 0 3 281.703 1.908 20 5 CDBDHN CON(C)C(=O)[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000877659163 723582461 /nfs/dbraw/zinc/58/24/61/723582461.db2.gz KOQVTNNHKMOXJX-JTQLQIEISA-N 0 3 281.312 1.135 20 5 CDBDHN CCN1C[C@H](NCc2c(C)ccc([N+](=O)[O-])c2C)CC1=O ZINC000873131878 723597650 /nfs/dbraw/zinc/59/76/50/723597650.db2.gz YJOOBQIREOLOIJ-GFCCVEGCSA-N 0 3 291.351 1.922 20 5 CDBDHN COCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000870376769 1165165633 /nfs/dbraw/zinc/16/56/33/1165165633.db2.gz MOQOOXRLYIYOJK-QMMMGPOBSA-N 0 3 271.244 1.794 20 5 CDBDHN CN1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)CCC1=O ZINC001167246938 894954906 /nfs/dbraw/zinc/95/49/06/894954906.db2.gz RBPAUFAPZMJHON-LLVKDONJSA-N 0 3 290.323 1.231 20 5 CDBDHN COc1cc(-n2nc(CN)c3ccccc32)cnc1[N+](=O)[O-] ZINC001167697738 898579040 /nfs/dbraw/zinc/57/90/40/898579040.db2.gz DIVNDXBCAXYDAG-UHFFFAOYSA-N 0 3 299.290 1.796 20 5 CDBDHN CC(COC(=O)c1cnc2n1CCCC2)[N+](=O)[O-] ZINC000835453654 936734601 /nfs/dbraw/zinc/73/46/01/936734601.db2.gz FNEHMUCEOVUMJZ-MRVPVSSYSA-N 0 3 253.258 1.041 20 5 CDBDHN Cc1ncsc1CCC(=O)OCC(C)[N+](=O)[O-] ZINC000842364393 937046818 /nfs/dbraw/zinc/04/68/18/937046818.db2.gz VYTGNGMOECQNTJ-SSDOTTSWSA-N 0 3 258.299 1.593 20 5 CDBDHN CCn1c(=O)[nH]c2cc(C(=O)OCC(C)[N+](=O)[O-])ccc21 ZINC000851036581 927503011 /nfs/dbraw/zinc/50/30/11/927503011.db2.gz KPAKQMGEVQAGQS-MRVPVSSYSA-N 0 3 293.279 1.584 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2cc3n(n2)CCCO3)C1 ZINC001169007589 927611121 /nfs/dbraw/zinc/61/11/21/927611121.db2.gz OIVDUSOUTBKDSW-GHMZBOCLSA-N 0 3 280.328 1.201 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCc3cnccc3C2)C1 ZINC001169008684 927614224 /nfs/dbraw/zinc/61/42/24/927614224.db2.gz TVYNVJXTWSAHLL-RISCZKNCSA-N 0 3 261.325 1.885 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3cncnc3)CC2)C1 ZINC001169039827 927652877 /nfs/dbraw/zinc/65/28/77/927652877.db2.gz UKGUHUGGWIPFDY-OLZOCXBDSA-N 0 3 291.355 1.044 20 5 CDBDHN O=c1[nH]ccc2c1CCN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169047432 927666322 /nfs/dbraw/zinc/66/63/22/927666322.db2.gz QYNWVVXVAMLBKS-PWSUYJOCSA-N 0 3 277.324 1.591 20 5 CDBDHN C[C@@H]([NH3+])C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764321 928744943 /nfs/dbraw/zinc/74/49/43/928744943.db2.gz OZFRSSDOZQZYRX-SSDOTTSWSA-N 0 3 289.238 1.030 20 5 CDBDHN COc1cc(C)nc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159500200 930316098 /nfs/dbraw/zinc/31/60/98/930316098.db2.gz WLWPPDFQAHGUIU-GXSJLCMTSA-N 0 3 296.327 1.096 20 5 CDBDHN CCN1CCN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000286768163 931718541 /nfs/dbraw/zinc/71/85/41/931718541.db2.gz ZRECNWJQOWXKAV-ZDUSSCGKSA-N 0 3 293.367 2.000 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCO[C@H]1CCOC1 ZINC000927082972 933043728 /nfs/dbraw/zinc/04/37/28/933043728.db2.gz ISLIWMYJRGSEOD-FZMZJTMJSA-N 0 3 292.335 1.977 20 5 CDBDHN CC[C@H](CO)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000931771492 933621791 /nfs/dbraw/zinc/62/17/91/933621791.db2.gz KVPKXQYNMCOMOG-ZWNOBZJWSA-N 0 3 293.323 1.061 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000092627327 934895870 /nfs/dbraw/zinc/89/58/70/934895870.db2.gz OGSQUYLYUWHULS-LLVKDONJSA-N 0 3 295.314 1.900 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC001122372877 937926133 /nfs/dbraw/zinc/92/61/33/937926133.db2.gz TWQRAMWOZMFFTR-UHFFFAOYSA-N 0 3 273.239 1.066 20 5 CDBDHN C[C@H](N)c1ccn(-c2nccc(Cl)c2[N+](=O)[O-])n1 ZINC001158344625 938611063 /nfs/dbraw/zinc/61/10/63/938611063.db2.gz FQXMSTFCWWBIHP-LURJTMIESA-N 0 3 267.676 1.849 20 5 CDBDHN C[C@H](N)c1ccn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])n1 ZINC001158351194 938613094 /nfs/dbraw/zinc/61/30/94/938613094.db2.gz XBWNMRLVLYXAJX-LURJTMIESA-N 0 3 283.675 1.087 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)cc(-n2cnc3c2CNCC3)n1 ZINC001164313952 939452325 /nfs/dbraw/zinc/45/23/25/939452325.db2.gz XRQLGXKPZPRENJ-UHFFFAOYSA-N 0 3 279.687 1.475 20 5 CDBDHN CO[C@@H]1CCN(CCOCc2cccc([N+](=O)[O-])c2)C1 ZINC001222771519 941633009 /nfs/dbraw/zinc/63/30/09/941633009.db2.gz YXXWDVISNGQORA-CQSZACIVSA-N 0 3 280.324 1.832 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCN(C)C1 ZINC001223450237 941678553 /nfs/dbraw/zinc/67/85/53/941678553.db2.gz NGYKYSUETPJKMP-LBPRGKRZSA-N 0 3 294.307 1.602 20 5 CDBDHN CN1CC[C@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224094861 941719405 /nfs/dbraw/zinc/71/94/05/941719405.db2.gz GKNISBGKICVEEY-NSHDSACASA-N 0 3 281.268 1.724 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1nc(=O)[n-]cc1C(F)(F)F ZINC001225577482 941883318 /nfs/dbraw/zinc/88/33/18/941883318.db2.gz XBZOVHRBRYLFKF-ZETCQYMHSA-O 0 3 280.270 1.675 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC1(C)COC1 ZINC001254537021 947515814 /nfs/dbraw/zinc/51/58/14/947515814.db2.gz VPYXNALAUHEXAB-SNVBAGLBSA-N 0 3 250.298 1.904 20 5 CDBDHN COC(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001254574859 947533569 /nfs/dbraw/zinc/53/35/69/947533569.db2.gz LPEBKJGIACEULV-LLVKDONJSA-N 0 3 266.297 1.271 20 5 CDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]23C[C@H]2CCN3)n1 ZINC001247952872 948887505 /nfs/dbraw/zinc/88/75/05/948887505.db2.gz BYHKZYMAVOJAMT-INWYIAFRSA-N 0 3 291.242 1.387 20 5 CDBDHN COC1CCN(CCNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001325181568 953762234 /nfs/dbraw/zinc/76/22/34/953762234.db2.gz MZJQVBKJVCQJER-UHFFFAOYSA-N 0 3 295.343 1.216 20 5 CDBDHN C[C@@H](NC(=O)C[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001340990957 963223978 /nfs/dbraw/zinc/22/39/78/963223978.db2.gz MPCABPQLJHLXCD-MFKMUULPSA-N 0 3 293.323 1.151 20 5 CDBDHN N[C@@H](CC(F)F)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345781145 964814708 /nfs/dbraw/zinc/81/47/08/964814708.db2.gz OAZCNWYJQAPSIK-JTQLQIEISA-N 0 3 285.250 1.420 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294951559 199266919 /nfs/dbraw/zinc/26/69/19/199266919.db2.gz OCFUKYBJNJFMBI-UHFFFAOYSA-N 0 3 299.302 1.424 20 5 CDBDHN CN1CC[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]2C1 ZINC000601185200 342489263 /nfs/dbraw/zinc/48/92/63/342489263.db2.gz QZGAXWYGCCJDOM-BDAKNGLRSA-N 0 3 268.342 1.439 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000601232540 342537746 /nfs/dbraw/zinc/53/77/46/342537746.db2.gz RULLKUIKGYNDBO-VHSXEESVSA-N 0 3 295.314 1.946 20 5 CDBDHN CC1(C)CN[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000591668206 342641120 /nfs/dbraw/zinc/64/11/20/342641120.db2.gz OKHJKVXVPPRABD-LBPRGKRZSA-N 0 3 275.308 1.482 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CCN1 ZINC000592242562 342680850 /nfs/dbraw/zinc/68/08/50/342680850.db2.gz VAVZAHXUJKHOPI-LLVKDONJSA-N 0 3 292.339 1.247 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N(C)C1CC1 ZINC000057721689 342151976 /nfs/dbraw/zinc/15/19/76/342151976.db2.gz WZYNNOZNGIYYHQ-QMMMGPOBSA-N 0 3 283.353 1.869 20 5 CDBDHN C[C@@H](Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)N(C)C ZINC000592349613 342686254 /nfs/dbraw/zinc/68/62/54/342686254.db2.gz PQUIIHRMVPLCNW-VIFPVBQESA-N 0 3 292.295 1.362 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)C(F)F ZINC000594496709 342914016 /nfs/dbraw/zinc/91/40/16/342914016.db2.gz RXOVIHMSSQNKSI-ONGXEEELSA-N 0 3 272.251 1.798 20 5 CDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CCN1C ZINC000158549855 342290210 /nfs/dbraw/zinc/29/02/10/342290210.db2.gz SHZBSKLZWANCRD-DTWKUNHWSA-N 0 3 251.290 1.279 20 5 CDBDHN O=C(C[C@@H]1CSCCN1)NCc1cccc([N+](=O)[O-])c1 ZINC000091291081 349725011 /nfs/dbraw/zinc/72/50/11/349725011.db2.gz UESLDSDBELTXLR-LLVKDONJSA-N 0 3 295.364 1.306 20 5 CDBDHN CC(C)[C@@H](CO)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595432512 343058915 /nfs/dbraw/zinc/05/89/15/343058915.db2.gz WHYSOTDHODQNRF-LLVKDONJSA-N 0 3 256.277 1.840 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600964440 342351095 /nfs/dbraw/zinc/35/10/95/342351095.db2.gz ABICACSHYREPRL-SNVBAGLBSA-N 0 3 295.314 1.948 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](F)[C@H](N)C2)c1 ZINC000596030194 343216811 /nfs/dbraw/zinc/21/68/11/343216811.db2.gz NUBSVWSRXOYHLV-NXEZZACHSA-N 0 3 253.277 1.779 20 5 CDBDHN C[NH+]1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596104929 343228199 /nfs/dbraw/zinc/22/81/99/343228199.db2.gz FQUBEFINGLWAHZ-UHFFFAOYSA-N 0 3 266.301 1.449 20 5 CDBDHN CCN1C[C@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1C ZINC000596176931 343261278 /nfs/dbraw/zinc/26/12/78/343261278.db2.gz LBFUPMXVDNGUFR-ZJUUUORDSA-N 0 3 279.344 1.491 20 5 CDBDHN C[C@@H](NCCN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085989 343951391 /nfs/dbraw/zinc/95/13/91/343951391.db2.gz WYXZQIZQMPABPO-BXUZGUMPSA-N 0 3 279.340 1.312 20 5 CDBDHN C[C@H](N[C@@H]1CCOC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000599080962 343957295 /nfs/dbraw/zinc/95/72/95/343957295.db2.gz MBKJQXYPZBLTCX-ZWKOPEQDSA-N 0 3 266.297 1.395 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)C[C@H]1C ZINC000602782730 344597803 /nfs/dbraw/zinc/59/78/03/344597803.db2.gz WHKOLDUVHCGNSC-VHSXEESVSA-N 0 3 252.318 1.830 20 5 CDBDHN CO[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602774398 344577516 /nfs/dbraw/zinc/57/75/16/344577516.db2.gz YRQGUNOXNLDYDR-NSHDSACASA-N 0 3 268.317 1.211 20 5 CDBDHN COCC(C)(C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000292456991 362474015 /nfs/dbraw/zinc/47/40/15/362474015.db2.gz YLWVJZSHFVOYRM-UHFFFAOYSA-N 0 3 283.328 1.113 20 5 CDBDHN Nc1ccc(N2CC[C@H](N3CCCCC3)C2)nc1[N+](=O)[O-] ZINC000314141948 344910188 /nfs/dbraw/zinc/91/01/88/344910188.db2.gz GLVNBIVKBZIRPW-NSHDSACASA-N 0 3 291.355 1.637 20 5 CDBDHN COc1ccc(C(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000088138979 346014090 /nfs/dbraw/zinc/01/40/90/346014090.db2.gz AAMFMXYJGFTTDW-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CN1C1CC1 ZINC000610653926 346336487 /nfs/dbraw/zinc/33/64/87/346336487.db2.gz CABVMWLVEXPWCG-DTWKUNHWSA-N 0 3 278.312 1.278 20 5 CDBDHN CC[C@H](N[C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268827838 365833515 /nfs/dbraw/zinc/83/35/15/365833515.db2.gz LSIAVEBYXHRECL-YPMHNXCESA-N 0 3 277.324 1.866 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CCOC3)CC2)n1 ZINC000611177150 346632030 /nfs/dbraw/zinc/63/20/30/346632030.db2.gz AFGDSSZOSNRAAJ-UHFFFAOYSA-N 0 3 280.328 1.294 20 5 CDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000169982010 362807405 /nfs/dbraw/zinc/80/74/05/362807405.db2.gz HARHDCHSWHMIFN-SNVBAGLBSA-N 0 3 278.312 1.137 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000054460276 347822851 /nfs/dbraw/zinc/82/28/51/347822851.db2.gz FGGACMIYPYQNLO-VIFPVBQESA-N 0 3 266.301 1.137 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1 ZINC000086468073 179298958 /nfs/dbraw/zinc/29/89/58/179298958.db2.gz NCFJHICIVGXZDX-ZOUVEMKTSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000061362682 349993213 /nfs/dbraw/zinc/99/32/13/349993213.db2.gz KLRULWJESAYEPX-JOYOIKCWSA-N 0 3 296.352 1.565 20 5 CDBDHN O=C(NC1CCN(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000014528274 348520929 /nfs/dbraw/zinc/52/09/29/348520929.db2.gz IWKRWUAJZIGZEF-UHFFFAOYSA-N 0 3 289.335 1.951 20 5 CDBDHN C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000033093195 348697019 /nfs/dbraw/zinc/69/70/19/348697019.db2.gz LBIDDLNFYOZGQE-SNVBAGLBSA-N 0 3 297.380 1.753 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000108338844 348910921 /nfs/dbraw/zinc/91/09/21/348910921.db2.gz XMVFUAFZCQNHCW-VIFPVBQESA-N 0 3 267.285 1.259 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)C1CC1 ZINC000063583347 348926782 /nfs/dbraw/zinc/92/67/82/348926782.db2.gz CYNMWLXPHCTFME-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CC(C)(O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664989 349128208 /nfs/dbraw/zinc/12/82/08/349128208.db2.gz YGJZMUXSDCEKPT-SNVBAGLBSA-N 0 3 280.328 1.247 20 5 CDBDHN CNc1ccc(C(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000308678344 350485639 /nfs/dbraw/zinc/48/56/39/350485639.db2.gz RRTYSAGMKJWJQU-UHFFFAOYSA-N 0 3 294.355 1.707 20 5 CDBDHN C[C@H](N[C@@H]1CCCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000111828117 350500232 /nfs/dbraw/zinc/50/02/32/350500232.db2.gz DMGCGCIGEYCJHI-CMPLNLGQSA-N 0 3 277.324 1.914 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NCCN(C)C1CC1 ZINC000062010264 362967696 /nfs/dbraw/zinc/96/76/96/362967696.db2.gz VUAWNBKZXUMOQH-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000119791905 186852111 /nfs/dbraw/zinc/85/21/11/186852111.db2.gz DWRXDOVQUFVHIN-UHFFFAOYSA-N 0 3 288.307 1.434 20 5 CDBDHN C[C@H]1C[C@@H](O)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000292479193 198303853 /nfs/dbraw/zinc/30/38/53/198303853.db2.gz RZEMPZOHXUQNHL-AAEUAGOBSA-N 0 3 280.324 1.819 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000157305576 188308719 /nfs/dbraw/zinc/30/87/19/188308719.db2.gz RNQRBSJJUFHTPO-SNVBAGLBSA-N 0 3 292.339 1.391 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)[C@H]2CCCOC2)c1 ZINC000411988206 363396168 /nfs/dbraw/zinc/39/61/68/363396168.db2.gz GQNAZLBJJHRUQI-GXTWGEPZSA-N 0 3 280.324 1.472 20 5 CDBDHN NC(=O)Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000608982454 356320922 /nfs/dbraw/zinc/32/09/22/356320922.db2.gz HTTYXKXVMIJHGU-UHFFFAOYSA-N 0 3 299.330 1.912 20 5 CDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cn1)N1CCC[C@@H](C)C1 ZINC000273591648 192219975 /nfs/dbraw/zinc/21/99/75/192219975.db2.gz HHTLSPWOHYSATH-MNOVXSKESA-N 0 3 279.344 1.917 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2CC[C@@](O)(C3CC3)C2)c1 ZINC000365819089 357496159 /nfs/dbraw/zinc/49/61/59/357496159.db2.gz IJDHVBVWPSRBFR-AWEZNQCLSA-N 0 3 262.309 1.942 20 5 CDBDHN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCCN(C)C1 ZINC000610187378 357489754 /nfs/dbraw/zinc/48/97/54/357489754.db2.gz AZKFWUQYHSZTRI-SNVBAGLBSA-N 0 3 280.328 1.100 20 5 CDBDHN C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CO ZINC000190342886 358068167 /nfs/dbraw/zinc/06/81/67/358068167.db2.gz QIYFIGWYJIMCSQ-SMDDNHRTSA-N 0 3 280.324 1.676 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN(C)C ZINC000093900837 358641035 /nfs/dbraw/zinc/64/10/35/358641035.db2.gz BSXTXRSITJBGPO-UHFFFAOYSA-N 0 3 279.340 1.811 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCN2CCCC2)n1 ZINC000162621025 358842991 /nfs/dbraw/zinc/84/29/91/358842991.db2.gz UDJODZNYHMCWNO-UHFFFAOYSA-N 0 3 250.302 1.806 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCNC[C@@H]1F ZINC001579734346 1172250987 /nfs/dbraw/zinc/25/09/87/1172250987.db2.gz PKSZMJLSBRPYAE-RYUDHWBXSA-N 0 3 281.287 1.333 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)n1 ZINC000451697709 359071367 /nfs/dbraw/zinc/07/13/67/359071367.db2.gz RIPOPFDWQVFERS-FRRDWIJNSA-N 0 3 294.355 1.274 20 5 CDBDHN COCCCN1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000339141281 359298434 /nfs/dbraw/zinc/29/84/34/359298434.db2.gz RDKGSESUPJHDFA-UHFFFAOYSA-N 0 3 297.359 1.241 20 5 CDBDHN COC[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419604 316304204 /nfs/dbraw/zinc/30/42/04/316304204.db2.gz XQDUNXVTDBXSOG-BXKDBHETSA-N 0 3 266.297 1.179 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CNCCO2)c(Cl)c1 ZINC000134271085 359860760 /nfs/dbraw/zinc/86/07/60/359860760.db2.gz BJIMLIJLSGRBAS-SECBINFHSA-N 0 3 271.704 1.649 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCN2CCSCC2)c1 ZINC000226246227 359951866 /nfs/dbraw/zinc/95/18/66/359951866.db2.gz SAHJAVZYMLLYLT-UHFFFAOYSA-N 0 3 281.381 1.733 20 5 CDBDHN CS[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000270375186 360462488 /nfs/dbraw/zinc/46/24/88/360462488.db2.gz NVVQYJXICAPWPL-RYUDHWBXSA-N 0 3 296.396 1.780 20 5 CDBDHN Cc1cc(N(C)C2CCN(CCO)CC2)ncc1[N+](=O)[O-] ZINC000348165539 360533701 /nfs/dbraw/zinc/53/37/01/360533701.db2.gz DLKZCLDOAODTDV-UHFFFAOYSA-N 0 3 294.355 1.191 20 5 CDBDHN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCCN1 ZINC000177942200 189080446 /nfs/dbraw/zinc/08/04/46/189080446.db2.gz CBOHODOVCMGEOY-LBPRGKRZSA-N 0 3 292.339 1.265 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301509255 201037038 /nfs/dbraw/zinc/03/70/38/201037038.db2.gz AVPVWFBOUPCEIW-PWSUYJOCSA-N 0 3 264.329 1.766 20 5 CDBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183693497 189365918 /nfs/dbraw/zinc/36/59/18/189365918.db2.gz ANIUWMHIOIQIBV-GXFFZTMASA-N 0 3 293.323 1.690 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(C3CCCC3)C2)nc1 ZINC000302174340 201381756 /nfs/dbraw/zinc/38/17/56/201381756.db2.gz WHXUXYAVQMKSBM-SNVBAGLBSA-N 0 3 277.328 1.814 20 5 CDBDHN Cc1cc(Cl)c(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000296589445 239321655 /nfs/dbraw/zinc/32/16/55/239321655.db2.gz XMKXVAVCMOVALC-UHFFFAOYSA-N 0 3 285.731 1.848 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000345813502 363965456 /nfs/dbraw/zinc/96/54/56/363965456.db2.gz GDUGWFVPNGJAHU-STQMWFEESA-N 0 3 277.324 1.599 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)O ZINC000111385524 364955867 /nfs/dbraw/zinc/95/58/67/364955867.db2.gz JDHVHUDYJUXREL-UHFFFAOYSA-N 0 3 268.313 1.854 20 5 CDBDHN Cc1ccc(CN[C@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414562937 241260524 /nfs/dbraw/zinc/26/05/24/241260524.db2.gz UEWPTQQVNWRRON-ZIAGYGMSSA-N 0 3 294.351 1.780 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(OC[C@@H](O)CN(C)C2CC2)c1 ZINC000386501090 367014053 /nfs/dbraw/zinc/01/40/53/367014053.db2.gz AQBIELVYHOXZRB-NSHDSACASA-N 0 3 296.323 1.437 20 5 CDBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090516969 367470568 /nfs/dbraw/zinc/47/05/68/367470568.db2.gz DJBSRSKGUGHEDG-UHFFFAOYSA-N 0 3 251.286 1.241 20 5 CDBDHN Cc1cnccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000295644278 370544184 /nfs/dbraw/zinc/54/41/84/370544184.db2.gz IIGXODWQKXWKES-UHFFFAOYSA-N 0 3 261.285 1.285 20 5 CDBDHN CC[C@H](N[C@@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000234028574 189820693 /nfs/dbraw/zinc/82/06/93/189820693.db2.gz GTRQTUVPCDAPDC-AAEUAGOBSA-N 0 3 268.313 1.643 20 5 CDBDHN C[C@@H](NCCC(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293807431 372908622 /nfs/dbraw/zinc/90/86/22/372908622.db2.gz RKSWHGFNUWGSJY-SECBINFHSA-N 0 3 280.328 1.306 20 5 CDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298696916 373796890 /nfs/dbraw/zinc/79/68/90/373796890.db2.gz CRKKTEJZPFMZQV-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C ZINC000421742233 374329708 /nfs/dbraw/zinc/32/97/08/374329708.db2.gz FWZYOJIGUPFKDS-LLVKDONJSA-N 0 3 279.340 1.892 20 5 CDBDHN Nc1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184914 374542679 /nfs/dbraw/zinc/54/26/79/374542679.db2.gz CSMXNPHGDDHVBG-NEPJUHHUSA-N 0 3 292.339 1.452 20 5 CDBDHN CN1CCCC(C)(C)[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000447815515 374714274 /nfs/dbraw/zinc/71/42/74/374714274.db2.gz DYZANKBSDIIZIT-SNVBAGLBSA-N 0 3 294.359 1.330 20 5 CDBDHN C[C@@H](Cn1cc(Br)c([N+](=O)[O-])n1)N(C)C ZINC000331085068 374888484 /nfs/dbraw/zinc/88/84/84/374888484.db2.gz OHYKPQFYASQJOE-LURJTMIESA-N 0 3 277.122 1.504 20 5 CDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000096268641 375069205 /nfs/dbraw/zinc/06/92/05/375069205.db2.gz NKCPEVLMQRPOHR-OAHLLOKOSA-N 0 3 289.335 1.763 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(N)C(F)(F)F ZINC000353162281 375582515 /nfs/dbraw/zinc/58/25/15/375582515.db2.gz GGJRNOOVOVHJFA-VIFPVBQESA-N 0 3 291.229 1.443 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCOCCO ZINC000344864444 375621705 /nfs/dbraw/zinc/62/17/05/375621705.db2.gz PXVGAEBDFOWIDJ-XFXZXTDPSA-N 0 3 280.324 1.597 20 5 CDBDHN C[C@H]1[C@H](C)N(CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000357048367 375674688 /nfs/dbraw/zinc/67/46/88/375674688.db2.gz ZSMKCSHJXXDZKD-STQMWFEESA-N 0 3 293.367 1.998 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C(N)=O)C1 ZINC000347353776 375812169 /nfs/dbraw/zinc/81/21/69/375812169.db2.gz HJRYCEMNVBFPRB-HJTPGIPUSA-N 0 3 289.335 1.805 20 5 CDBDHN O=[N+]([O-])c1cccc2ncnc(NCCN3CCCC3)c21 ZINC000347443879 376149718 /nfs/dbraw/zinc/14/97/18/376149718.db2.gz ZLUCZRZDNPDZAD-UHFFFAOYSA-N 0 3 287.323 1.468 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1C ZINC000262757514 190062401 /nfs/dbraw/zinc/06/24/01/190062401.db2.gz HWALFZYFLVCMFS-SFYZADRCSA-N 0 3 269.326 1.479 20 5 CDBDHN CCc1n[nH]c(C(=O)NC2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000264616307 190123283 /nfs/dbraw/zinc/12/32/83/190123283.db2.gz QZJSFXXXBDLRRH-UHFFFAOYSA-N 0 3 295.343 1.094 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000457207093 252478831 /nfs/dbraw/zinc/47/88/31/252478831.db2.gz AKNUCOLONOYPPS-UHFFFAOYSA-N 0 3 279.340 1.594 20 5 CDBDHN Cc1c(CC(=O)N2CCNC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000127862348 377134096 /nfs/dbraw/zinc/13/40/96/377134096.db2.gz BHZDYASEQXPJEK-UHFFFAOYSA-N 0 3 291.351 1.656 20 5 CDBDHN Cc1ccnc(NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265269397 190170752 /nfs/dbraw/zinc/17/07/52/190170752.db2.gz UQIZNOKOESFEJD-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN O=CN1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000278712704 194116384 /nfs/dbraw/zinc/11/63/84/194116384.db2.gz LSYLUKWZEAARKW-UHFFFAOYSA-N 0 3 297.742 1.959 20 5 CDBDHN CCCCN(CCOC)CCn1cc([N+](=O)[O-])cn1 ZINC000174855700 379593413 /nfs/dbraw/zinc/59/34/13/379593413.db2.gz RYLLCCZOXFZMLS-UHFFFAOYSA-N 0 3 270.333 1.540 20 5 CDBDHN CCOC[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862659 379596482 /nfs/dbraw/zinc/59/64/82/379596482.db2.gz DOYMCMBDLLRTES-GFCCVEGCSA-N 0 3 282.344 1.540 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268206099 190386161 /nfs/dbraw/zinc/38/61/61/190386161.db2.gz JSBBNXVKPXSPGV-QMTHXVAHSA-N 0 3 289.335 1.807 20 5 CDBDHN C[C@@H](NC(=O)/C=C\CN(C)C)c1ccccc1[N+](=O)[O-] ZINC000492385319 253208079 /nfs/dbraw/zinc/20/80/79/253208079.db2.gz IMXNDBRNDDHWCB-DHHDDZJSSA-N 0 3 277.324 1.890 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCN1C ZINC000288458095 197083825 /nfs/dbraw/zinc/08/38/25/197083825.db2.gz UCGXWXWMOAEAFM-AWEZNQCLSA-N 0 3 291.351 1.690 20 5 CDBDHN O=C1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2)N1 ZINC000433171397 390497436 /nfs/dbraw/zinc/49/74/36/390497436.db2.gz AZXHUAPOZWJVMJ-LLVKDONJSA-N 0 3 263.297 1.353 20 5 CDBDHN CC(C)N1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)C1 ZINC000450947115 390580609 /nfs/dbraw/zinc/58/06/09/390580609.db2.gz BCKGQNKJXUPJHJ-JTQLQIEISA-N 0 3 265.317 1.304 20 5 CDBDHN CNC(=O)CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544039 390630889 /nfs/dbraw/zinc/63/08/89/390630889.db2.gz DCDJQUWVDWZTOM-ZDUSSCGKSA-N 0 3 291.351 1.910 20 5 CDBDHN O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])o1 ZINC000298523135 390956363 /nfs/dbraw/zinc/95/63/63/390956363.db2.gz ZMEXEXMKQZDPNA-ZJUUUORDSA-N 0 3 279.296 1.544 20 5 CDBDHN C[C@H](NC(=O)N1CCCNCC1)c1ccccc1[N+](=O)[O-] ZINC000417984211 533584155 /nfs/dbraw/zinc/58/41/55/533584155.db2.gz ORFQOHUCNCGLRS-NSHDSACASA-N 0 3 292.339 1.661 20 5 CDBDHN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N(C)C ZINC000345569252 391623072 /nfs/dbraw/zinc/62/30/72/391623072.db2.gz NIEJBLDYXPNBJZ-LLVKDONJSA-N 0 3 296.371 1.639 20 5 CDBDHN CO[C@@]1(C)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000348223330 391830547 /nfs/dbraw/zinc/83/05/47/391830547.db2.gz GDQAGLHPYMQQQF-LBPRGKRZSA-N 0 3 268.317 1.292 20 5 CDBDHN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1C ZINC000487060941 391868175 /nfs/dbraw/zinc/86/81/75/391868175.db2.gz QPHICNCMIDAXMF-GFCCVEGCSA-N 0 3 264.329 1.766 20 5 CDBDHN Cc1cccc(C(=O)NCCN2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000524720997 392919319 /nfs/dbraw/zinc/91/93/19/392919319.db2.gz WWQUTUMCSZCXJN-LLVKDONJSA-N 0 3 291.351 1.975 20 5 CDBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000268967192 132094193 /nfs/dbraw/zinc/09/41/93/132094193.db2.gz KOBSEBZYTUCVAF-JTQLQIEISA-N 0 3 251.286 1.098 20 5 CDBDHN CSC[C@](C)(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000217864382 140165267 /nfs/dbraw/zinc/16/52/67/140165267.db2.gz HSESAMKJTPEFCK-GFCCVEGCSA-N 0 3 270.354 1.798 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CN1C1CC1 ZINC000531005137 393057840 /nfs/dbraw/zinc/05/78/40/393057840.db2.gz DOKUCUZXAODXPM-ZJUUUORDSA-N 0 3 292.339 1.288 20 5 CDBDHN CC[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000532494448 393074814 /nfs/dbraw/zinc/07/48/14/393074814.db2.gz CKKYYXOHXJKOCA-CYBMUJFWSA-N 0 3 295.339 1.430 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180892358 148167589 /nfs/dbraw/zinc/16/75/89/148167589.db2.gz KKULBUPXKWHUPH-JTQLQIEISA-N 0 3 292.339 1.391 20 5 CDBDHN C[C@@](O)(CNCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000311932080 149223984 /nfs/dbraw/zinc/22/39/84/149223984.db2.gz IGGCPMVIGPMKSR-CYBMUJFWSA-N 0 3 268.288 1.985 20 5 CDBDHN C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000347251295 153462386 /nfs/dbraw/zinc/46/23/86/153462386.db2.gz ANEBKOFUBPPZME-QMMMGPOBSA-N 0 3 284.291 1.806 20 5 CDBDHN C[C@@H]1C[C@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000354218934 156331253 /nfs/dbraw/zinc/33/12/53/156331253.db2.gz BYQYPYIFJLMJPO-VHSXEESVSA-N 0 3 277.324 1.924 20 5 CDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000354512425 156493290 /nfs/dbraw/zinc/49/32/90/156493290.db2.gz SPKYNTYSWFXRHN-GHMZBOCLSA-N 0 3 279.344 1.482 20 5 CDBDHN CC(C)N1CCCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355547896 157111504 /nfs/dbraw/zinc/11/15/04/157111504.db2.gz SCEAGBCTAJOVBB-UHFFFAOYSA-N 0 3 281.360 1.244 20 5 CDBDHN C[C@@H]1COCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000372217116 160092714 /nfs/dbraw/zinc/09/27/14/160092714.db2.gz OBXCCIYKAIWTKX-LBPRGKRZSA-N 0 3 280.324 1.942 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCCN1CCOCC1 ZINC000020141978 171028439 /nfs/dbraw/zinc/02/84/39/171028439.db2.gz IUJZOGCGZOTHAD-UHFFFAOYSA-N 0 3 279.340 1.407 20 5 CDBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285763419 196391074 /nfs/dbraw/zinc/39/10/74/196391074.db2.gz ZNWXIIDSJIDNKF-JTQLQIEISA-N 0 3 295.343 1.312 20 5 CDBDHN Cc1nn(C)c(NCCN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000040444353 174263954 /nfs/dbraw/zinc/26/39/54/174263954.db2.gz BSDVSKOXKOPSLD-UHFFFAOYSA-N 0 3 281.360 1.781 20 5 CDBDHN O=C(CCN1CCSCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000103467841 270234976 /nfs/dbraw/zinc/23/49/76/270234976.db2.gz GOQNEXNDBCMWSY-UHFFFAOYSA-N 0 3 295.364 1.972 20 5 CDBDHN CN1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])cn2)C1 ZINC000301734097 277182082 /nfs/dbraw/zinc/18/20/82/277182082.db2.gz UKBHLFGGDMJXAS-AAEUAGOBSA-N 0 3 276.340 1.910 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000262804374 280331546 /nfs/dbraw/zinc/33/15/46/280331546.db2.gz PVQZBVWYVLJBOW-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@H]1OCC[C@@]1(O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000278648793 280563156 /nfs/dbraw/zinc/56/31/56/280563156.db2.gz MGNFWRGLEGWFIR-YABQJVKDSA-N 0 3 292.335 1.738 20 5 CDBDHN CN1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255213637 289361268 /nfs/dbraw/zinc/36/12/68/289361268.db2.gz DKAHWYVKZRDCQL-WAYWQWQTSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000561616416 293095329 /nfs/dbraw/zinc/09/53/29/293095329.db2.gz QXONGOHOAYQDNR-ZJUUUORDSA-N 0 3 293.327 1.017 20 5 CDBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1c([N+](=O)[O-])ncn1C ZINC000568309878 294014652 /nfs/dbraw/zinc/01/46/52/294014652.db2.gz ZEJKOCPRSPOQPP-GHMZBOCLSA-N 0 3 279.344 1.391 20 5 CDBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)CCC(=O)OC ZINC000064569685 521150023 /nfs/dbraw/zinc/15/00/23/521150023.db2.gz IQKKDCOMYIUDLC-UHFFFAOYSA-N 0 3 296.323 1.859 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000236957743 535654508 /nfs/dbraw/zinc/65/45/08/535654508.db2.gz RXUVXBGLXIZDDD-QMTHXVAHSA-N 0 3 291.351 1.853 20 5 CDBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](CCO)C3CC3)nc2c1 ZINC000769797856 575385536 /nfs/dbraw/zinc/38/55/36/575385536.db2.gz UJFYVRBZSOUMCP-LLVKDONJSA-N 0 3 290.323 1.722 20 5 CDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(O)C1 ZINC000759872797 576439380 /nfs/dbraw/zinc/43/93/80/576439380.db2.gz FFKFEWPFVZDDQC-WXRRBKDZSA-N 0 3 266.297 1.083 20 5 CDBDHN C[C@H]1CCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000742238027 576590677 /nfs/dbraw/zinc/59/06/77/576590677.db2.gz BFDYPZYKUIKBEN-NSHDSACASA-N 0 3 277.324 1.809 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](O)c2ccco2)c1 ZINC000749670297 576957020 /nfs/dbraw/zinc/95/70/20/576957020.db2.gz KOIIMUFHGUCRDH-OLZOCXBDSA-N 0 3 292.291 1.544 20 5 CDBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000892608965 617532863 /nfs/dbraw/zinc/53/28/63/617532863.db2.gz STAOJQHROOAWAZ-JQWIXIFHSA-N 0 3 298.364 1.508 20 5 CDBDHN CC(COC(=O)C[C@H]1CCC2(CCC2)O1)[N+](=O)[O-] ZINC000893046920 618099148 /nfs/dbraw/zinc/09/91/48/618099148.db2.gz HSLVNIMWHIAQEH-NXEZZACHSA-N 0 3 257.286 1.687 20 5 CDBDHN C[C@@H](NCC[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000905133639 626647867 /nfs/dbraw/zinc/64/78/67/626647867.db2.gz QXSHEIHIBAHEEM-HIFRSBDPSA-N 0 3 293.367 1.142 20 5 CDBDHN COc1ccc2c(ccn2CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813113442 695365782 /nfs/dbraw/zinc/36/57/82/695365782.db2.gz PYPFREJISLXTCK-SNVBAGLBSA-N 0 3 292.291 1.858 20 5 CDBDHN COC[C@@H](O)CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000230160098 695795254 /nfs/dbraw/zinc/79/52/54/695795254.db2.gz KKBUUTHEXYNNKZ-NSHDSACASA-N 0 3 288.731 1.735 20 5 CDBDHN CCN1C[C@@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1=O ZINC000834889767 695820914 /nfs/dbraw/zinc/82/09/14/695820914.db2.gz JNKRPQZQXUJVGX-KOLCDFICSA-N 0 3 292.339 1.448 20 5 CDBDHN CC(C)CN1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885926370 695864406 /nfs/dbraw/zinc/86/44/06/695864406.db2.gz CFBCGPWSLAQZKS-UHFFFAOYSA-N 0 3 278.356 1.763 20 5 CDBDHN CCc1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000819054611 696155752 /nfs/dbraw/zinc/15/57/52/696155752.db2.gz QRXJGNBPBJCZBO-AWEZNQCLSA-N 0 3 290.323 1.704 20 5 CDBDHN CCc1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000819054611 696155760 /nfs/dbraw/zinc/15/57/60/696155760.db2.gz QRXJGNBPBJCZBO-AWEZNQCLSA-N 0 3 290.323 1.704 20 5 CDBDHN COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCC1CN(C)C1 ZINC001170258389 1162320269 /nfs/dbraw/zinc/32/02/69/1162320269.db2.gz JORMUCFUNYOPOQ-UHFFFAOYSA-N 0 3 293.323 1.663 20 5 CDBDHN Cc1cc(N[C@@H](C)[C@H]2CNCCO2)ncc1[N+](=O)[O-] ZINC001170566048 1162931591 /nfs/dbraw/zinc/93/15/91/1162931591.db2.gz DMOHFSGWEDHZLX-GXSJLCMTSA-N 0 3 266.301 1.087 20 5 CDBDHN C[C@@H](Nc1cnc(Cl)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170568203 1162945827 /nfs/dbraw/zinc/94/58/27/1162945827.db2.gz HCUNWLJGKVUUNZ-GMSGAONNSA-N 0 3 286.719 1.432 20 5 CDBDHN CC(COC(=O)C1(C(=O)OC(C)(C)C)CCC1)[N+](=O)[O-] ZINC000851036577 723704243 /nfs/dbraw/zinc/70/42/43/723704243.db2.gz KMCPZOWUSROZJP-VIFPVBQESA-N 0 3 287.312 1.707 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCO[C@@H]1CCOC1 ZINC000927082973 723726473 /nfs/dbraw/zinc/72/64/73/723726473.db2.gz ISLIWMYJRGSEOD-RISCZKNCSA-N 0 3 292.335 1.977 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H](CO)C[C@H]1CCCO1 ZINC000886229077 723782530 /nfs/dbraw/zinc/78/25/30/723782530.db2.gz KUSFWESHZZESKQ-QWHCGFSZSA-N 0 3 280.324 1.614 20 5 CDBDHN O=C(OC[C@H]1CCN1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000851468831 724452453 /nfs/dbraw/zinc/45/24/53/724452453.db2.gz GSFNRMUKKXOQTQ-MGPQQGTHSA-N 0 3 290.319 1.469 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CC2)c(F)c1 ZINC000778088197 724662961 /nfs/dbraw/zinc/66/29/61/724662961.db2.gz MVWNTHJUYCTENL-GFCCVEGCSA-N 0 3 254.261 1.594 20 5 CDBDHN COC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c([O-])cc2[N+](=O)[O-])C1 ZINC000883317035 724700872 /nfs/dbraw/zinc/70/08/72/724700872.db2.gz RDIWCMJJRFWYNE-JGZJWPJOSA-N 0 3 296.323 1.824 20 5 CDBDHN Cc1c(CN[C@H](C)C[S@@](C)=O)cccc1[N+](=O)[O-] ZINC000168922569 724729174 /nfs/dbraw/zinc/72/91/74/724729174.db2.gz ZCNMUXYJMJQLKK-LZVRBXCZSA-N 0 3 270.354 1.760 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000877544884 724774414 /nfs/dbraw/zinc/77/44/14/724774414.db2.gz AEQSJZIEOWIMDO-WDNDVIMCSA-N 0 3 276.336 1.882 20 5 CDBDHN C[C@@H](COC(=O)c1cc([N+](=O)[O-])cn1C)N1CCCCC1 ZINC000847959198 723699193 /nfs/dbraw/zinc/69/91/93/723699193.db2.gz GHSWMFUNXAZAPS-NSHDSACASA-N 0 3 295.339 1.965 20 5 CDBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000813108894 723997956 /nfs/dbraw/zinc/99/79/56/723997956.db2.gz BTJDVIJOGWVBCU-ZETCQYMHSA-N 0 3 298.251 1.734 20 5 CDBDHN Cc1cnc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090824874 724288906 /nfs/dbraw/zinc/28/89/06/724288906.db2.gz KRBCUDIMASFGPW-NEPJUHHUSA-N 0 3 292.339 1.573 20 5 CDBDHN C[C@@H](N)c1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000881226496 724345154 /nfs/dbraw/zinc/34/51/54/724345154.db2.gz ZXYNKGLQOUEVQJ-ZCFIWIBFSA-N 0 3 253.287 1.316 20 5 CDBDHN CN1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000013775555 725239172 /nfs/dbraw/zinc/23/91/72/725239172.db2.gz ZJWKDFUOPPYZMT-UHFFFAOYSA-N 0 3 294.380 1.975 20 5 CDBDHN Cc1nn(CN2CCN(CC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000077446638 725313304 /nfs/dbraw/zinc/31/33/04/725313304.db2.gz NXVDBRPPERURGA-UHFFFAOYSA-N 0 3 293.371 1.393 20 5 CDBDHN C/C=C(\C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125438140 895488967 /nfs/dbraw/zinc/48/89/67/895488967.db2.gz QENKFKYODUUXJN-QDEBKDIKSA-N 0 3 277.324 1.767 20 5 CDBDHN CCCOCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124444572 936316870 /nfs/dbraw/zinc/31/68/70/936316870.db2.gz UADPNWJGEVWDFF-UHFFFAOYSA-N 0 3 295.339 1.227 20 5 CDBDHN COc1cccc(-n2nc(CN)cc2C)c1[N+](=O)[O-] ZINC001163985700 924452668 /nfs/dbraw/zinc/45/26/68/924452668.db2.gz ZQCDPFUZISCYFT-UHFFFAOYSA-N 0 3 262.269 1.556 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc([C@H](C)N)n2)c1 ZINC001169235669 927864340 /nfs/dbraw/zinc/86/43/40/927864340.db2.gz YZQKFEAZVHMOER-QMMMGPOBSA-N 0 3 290.279 1.587 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(-n2nc(CN)c3ccccc32)n1 ZINC001156855893 938426823 /nfs/dbraw/zinc/42/68/23/938426823.db2.gz REBQQIKCSRIAQF-UHFFFAOYSA-N 0 3 284.279 1.491 20 5 CDBDHN C[C@H](Nc1cc([N+](=O)[O-])c2cc[nH]c2n1)[C@@H]1CNCCO1 ZINC001159496745 938733400 /nfs/dbraw/zinc/73/34/00/938733400.db2.gz FLUKAMYZFUWCLT-KWQFWETISA-N 0 3 291.311 1.260 20 5 CDBDHN NCc1ccc(Nc2ncc([N+](=O)[O-])cc2F)cn1 ZINC001160402214 938784504 /nfs/dbraw/zinc/78/45/04/938784504.db2.gz NZCHZDOZIFWAAY-UHFFFAOYSA-N 0 3 263.232 1.726 20 5 CDBDHN NCc1cn(-c2cc([N+](=O)[O-])cc(Br)n2)cn1 ZINC001162302645 938975509 /nfs/dbraw/zinc/97/55/09/938975509.db2.gz YEDIFDQRQRSRNZ-UHFFFAOYSA-N 0 3 298.100 1.397 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1cnco1)C2 ZINC001254576875 947534666 /nfs/dbraw/zinc/53/46/66/947534666.db2.gz ALORGMBKYVCUJT-NSHDSACASA-N 0 3 259.265 1.840 20 5 CDBDHN Cc1nccnc1CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586871 947543700 /nfs/dbraw/zinc/54/37/00/947543700.db2.gz LRYRTHVAHVOFDY-ZDUSSCGKSA-N 0 3 284.319 1.950 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCc3nccn3CC1)C2 ZINC001254605504 947552460 /nfs/dbraw/zinc/55/24/60/947552460.db2.gz ANBVDEYWKRCQNR-OAHLLOKOSA-N 0 3 298.346 1.817 20 5 CDBDHN CC(C)Oc1nc(NCCN(C)CCO)ccc1[N+](=O)[O-] ZINC001307207846 954807195 /nfs/dbraw/zinc/80/71/95/954807195.db2.gz CEGZOQUQDBWMGL-UHFFFAOYSA-N 0 3 298.343 1.113 20 5 CDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000273976827 398136207 /nfs/dbraw/zinc/13/62/07/398136207.db2.gz PZYLEYFFJMPLTE-BDAKNGLRSA-N 0 3 263.301 1.422 20 5 CDBDHN C[N@@H+]1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184157 342489174 /nfs/dbraw/zinc/48/91/74/342489174.db2.gz IHDPBIRZKUGSQC-ZJUUUORDSA-N 0 3 278.312 1.083 20 5 CDBDHN C[N@H+]1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184157 342489175 /nfs/dbraw/zinc/48/91/75/342489175.db2.gz IHDPBIRZKUGSQC-ZJUUUORDSA-N 0 3 278.312 1.083 20 5 CDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000588085490 342492438 /nfs/dbraw/zinc/49/24/38/342492438.db2.gz LFPQBBJQDIMNKL-MNOVXSKESA-N 0 3 279.344 1.391 20 5 CDBDHN C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000590703664 342582543 /nfs/dbraw/zinc/58/25/43/342582543.db2.gz GUVNDNIZSMHZTQ-NSHDSACASA-N 0 3 276.340 1.910 20 5 CDBDHN CN(CC1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609143455 342092142 /nfs/dbraw/zinc/09/21/42/342092142.db2.gz LZVJZEVHKXNXDX-UHFFFAOYSA-N 0 3 294.355 1.347 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CCNC[C@](C)(F)C2)n1 ZINC000591442218 342632290 /nfs/dbraw/zinc/63/22/90/342632290.db2.gz WMJMZSMLXCUQCZ-LBPRGKRZSA-N 0 3 268.292 1.436 20 5 CDBDHN CC[C@H](NC(=O)[C@@H](CN)OC)c1cccc([N+](=O)[O-])c1 ZINC000289835546 361836146 /nfs/dbraw/zinc/83/61/46/361836146.db2.gz DVISPQBFWXPYRG-NWDGAFQWSA-N 0 3 281.312 1.136 20 5 CDBDHN CC(C)c1[nH]nc(-c2nc([C@@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000592357096 342688437 /nfs/dbraw/zinc/68/84/37/342688437.db2.gz TXAWXUDNRNQIJO-ZETCQYMHSA-N 0 3 292.299 1.916 20 5 CDBDHN CC(C)c1n[n-]c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592357096 342688438 /nfs/dbraw/zinc/68/84/38/342688438.db2.gz TXAWXUDNRNQIJO-ZETCQYMHSA-N 0 3 292.299 1.916 20 5 CDBDHN CC(C)c1[n-]nc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592357096 342688439 /nfs/dbraw/zinc/68/84/39/342688439.db2.gz TXAWXUDNRNQIJO-ZETCQYMHSA-N 0 3 292.299 1.916 20 5 CDBDHN CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCN(C)C1 ZINC000592459254 342694181 /nfs/dbraw/zinc/69/41/81/342694181.db2.gz LLQPVQWZKIYWKC-SNVBAGLBSA-N 0 3 280.328 1.479 20 5 CDBDHN CO[C@@H](CN)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000289886419 361880942 /nfs/dbraw/zinc/88/09/42/361880942.db2.gz ICEIFCKHOJKJKF-ZDUSSCGKSA-N 0 3 295.339 1.007 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC[C@]2(O)CCCOC2)c(F)c1 ZINC000593687044 342822636 /nfs/dbraw/zinc/82/26/36/342822636.db2.gz BJYBMXUOXGNWAN-CQSZACIVSA-N 0 3 298.314 1.755 20 5 CDBDHN O=C1C[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CN1 ZINC000595351030 343046029 /nfs/dbraw/zinc/04/60/29/343046029.db2.gz DVZBZIYFCNPAHC-LBPRGKRZSA-N 0 3 289.335 1.695 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCCO)C2)nc1 ZINC000294980668 199282289 /nfs/dbraw/zinc/28/22/89/199282289.db2.gz PCXOMUPTHZAVPQ-LLVKDONJSA-N 0 3 280.328 1.249 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC1=CCSC1 ZINC000595887528 343181356 /nfs/dbraw/zinc/18/13/56/343181356.db2.gz DPOGFGAOXIYADK-UHFFFAOYSA-N 0 3 268.342 1.396 20 5 CDBDHN CC[N@@H+]1CCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596049146 343218523 /nfs/dbraw/zinc/21/85/23/343218523.db2.gz FAMUKJTYOIRETR-SECBINFHSA-N 0 3 266.301 1.592 20 5 CDBDHN CC[N@H+]1CCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596049146 343218524 /nfs/dbraw/zinc/21/85/24/343218524.db2.gz FAMUKJTYOIRETR-SECBINFHSA-N 0 3 266.301 1.592 20 5 CDBDHN O=c1[n-]ccc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596104643 343228033 /nfs/dbraw/zinc/22/80/33/343228033.db2.gz KCYGOSBJNMQMML-JTQLQIEISA-N 0 3 278.312 1.370 20 5 CDBDHN C[NH+](C)C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596126807 343237279 /nfs/dbraw/zinc/23/72/79/343237279.db2.gz PYHBENMJHFRJFM-SECBINFHSA-N 0 3 266.301 1.083 20 5 CDBDHN O=[N+]([O-])c1ccccc1N[C@@H]1CCCN(CCCO)C1 ZINC000294988876 199287221 /nfs/dbraw/zinc/28/72/21/199287221.db2.gz QBTGYAURDHATTJ-GFCCVEGCSA-N 0 3 279.340 1.854 20 5 CDBDHN C[C@H](NCCN1C(=O)CCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000089686142 342391478 /nfs/dbraw/zinc/39/14/78/342391478.db2.gz RGKUFVDLXRCFGN-JTQLQIEISA-N 0 3 291.307 1.394 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC1 ZINC000194360384 362285365 /nfs/dbraw/zinc/28/53/65/362285365.db2.gz YVRBYPVGADRHLO-NSHDSACASA-N 0 3 266.297 1.430 20 5 CDBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C(N)=O ZINC000295828933 362321730 /nfs/dbraw/zinc/32/17/30/362321730.db2.gz YLKXIBONAPOSJQ-UHFFFAOYSA-N 0 3 295.339 1.559 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2CCC[C@H]21 ZINC000612108274 347023426 /nfs/dbraw/zinc/02/34/26/347023426.db2.gz VHAQYTPGSCOXRN-YNEHKIRRSA-N 0 3 292.335 1.819 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](OCC(C)C)C1 ZINC000602786257 344599753 /nfs/dbraw/zinc/59/97/53/344599753.db2.gz FENFKYUXPZLIRF-ZDUSSCGKSA-N 0 3 296.371 1.847 20 5 CDBDHN Cc1ccc(NC(=O)[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000609493469 345049825 /nfs/dbraw/zinc/04/98/25/345049825.db2.gz YXBBEPYRVHCCMK-SNVBAGLBSA-N 0 3 263.297 1.793 20 5 CDBDHN CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCCCC1 ZINC000052894701 345307602 /nfs/dbraw/zinc/30/76/02/345307602.db2.gz DZLJVGLARKAMTD-UHFFFAOYSA-N 0 3 294.355 1.917 20 5 CDBDHN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000151095573 362622791 /nfs/dbraw/zinc/62/27/91/362622791.db2.gz IVTSIELWZTUFGI-ZWNOBZJWSA-N 0 3 277.324 1.866 20 5 CDBDHN C[C@H](O)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000617508296 345680881 /nfs/dbraw/zinc/68/08/81/345680881.db2.gz TVPOGKJETUHYTH-VIFPVBQESA-N 0 3 282.296 1.227 20 5 CDBDHN Cc1nc(N(C)CCN(C)C2CC2)ncc1[N+](=O)[O-] ZINC000295120069 199354879 /nfs/dbraw/zinc/35/48/79/199354879.db2.gz WQIZYBJUYJKQIA-UHFFFAOYSA-N 0 3 265.317 1.224 20 5 CDBDHN CCN(CC)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000049401786 345989370 /nfs/dbraw/zinc/98/93/70/345989370.db2.gz LRAPARDQRYRMBM-UHFFFAOYSA-N 0 3 265.313 1.553 20 5 CDBDHN O=C1C[C@H]2CC[C@@H](CN1)N2CCc1ccc([N+](=O)[O-])cc1 ZINC000610506620 346297742 /nfs/dbraw/zinc/29/77/42/346297742.db2.gz GHOYUQOZPLAHSR-KGLIPLIRSA-N 0 3 289.335 1.490 20 5 CDBDHN CC[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766542 346367813 /nfs/dbraw/zinc/36/78/13/346367813.db2.gz QNTLMENDYYIIBQ-GZMMTYOYSA-N 0 3 251.286 1.509 20 5 CDBDHN CC(=O)N1CC[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000152932522 347635749 /nfs/dbraw/zinc/63/57/49/347635749.db2.gz SAROHXIYOHDFBZ-YVARQFDVSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)CN1 ZINC000086467310 179297138 /nfs/dbraw/zinc/29/71/38/179297138.db2.gz BJDSNBBMQMHUGV-IDDPWSFUSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@@H](NC[C@H]1CC[C@@H](CO)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293676152 362916627 /nfs/dbraw/zinc/91/66/27/362916627.db2.gz JZXZOMKVOFNVOY-JLLWLGSASA-N 0 3 295.339 1.368 20 5 CDBDHN O=C(CCN1CCC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000041886279 348712615 /nfs/dbraw/zinc/71/26/15/348712615.db2.gz ZTVRYGXKPYONBG-CYBMUJFWSA-N 0 3 293.323 1.380 20 5 CDBDHN Cc1nc(N2C[C@@H](C)N[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000123634507 351276812 /nfs/dbraw/zinc/27/68/12/351276812.db2.gz XBRVQFPSXBFDLJ-DTORHVGOSA-N 0 3 250.302 1.485 20 5 CDBDHN COc1cc(CNC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1[O-] ZINC000291664717 198055792 /nfs/dbraw/zinc/05/57/92/198055792.db2.gz FMUUWIFFEABQIH-SNVBAGLBSA-N 0 3 297.355 1.596 20 5 CDBDHN Cc1ccc([C@H](C)N[C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000122148843 187017747 /nfs/dbraw/zinc/01/77/47/187017747.db2.gz PCKPTWUUCFLBBO-ZJUUUORDSA-N 0 3 265.313 1.818 20 5 CDBDHN CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)CO ZINC000292284723 198230921 /nfs/dbraw/zinc/23/09/21/198230921.db2.gz SZZOAGAVTNTZMR-SECBINFHSA-N 0 3 256.277 1.937 20 5 CDBDHN CCCN1CCC(N(C)c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273627267 192236835 /nfs/dbraw/zinc/23/68/35/192236835.db2.gz PPXNKMBWOCBOKQ-UHFFFAOYSA-N 0 3 279.344 1.695 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H]3OCCC[C@H]3C2)n1 ZINC000246960814 356554767 /nfs/dbraw/zinc/55/47/67/356554767.db2.gz XLQADRPXJKQTQO-RYUDHWBXSA-N 0 3 280.328 1.292 20 5 CDBDHN CO[C@]1(C)CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000366473032 363547716 /nfs/dbraw/zinc/54/77/16/363547716.db2.gz VWDZACVPIKUQHC-CYBMUJFWSA-N 0 3 282.344 1.682 20 5 CDBDHN Cc1cnc(CNCCc2ccc([N+](=O)[O-])cc2)n1C ZINC000341053388 366313901 /nfs/dbraw/zinc/31/39/01/366313901.db2.gz UKGYOJHKIOPKOY-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000287394784 358512045 /nfs/dbraw/zinc/51/20/45/358512045.db2.gz YORQJWBPPHZRNF-GHMZBOCLSA-N 0 3 293.323 1.887 20 5 CDBDHN CN(C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000041465296 357036965 /nfs/dbraw/zinc/03/69/65/357036965.db2.gz XUSMFWRXSNAGIK-UHFFFAOYSA-N 0 3 289.133 1.726 20 5 CDBDHN COC[C@H](CCO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223970060 358390785 /nfs/dbraw/zinc/39/07/85/358390785.db2.gz HDCJIHGMMHGRME-JQWIXIFHSA-N 0 3 268.313 1.643 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1csc([N+](=O)[O-])c1 ZINC000366503526 363611532 /nfs/dbraw/zinc/61/15/32/363611532.db2.gz GCOPDZPSIWIJSW-YUMQZZPRSA-N 0 3 273.289 1.086 20 5 CDBDHN CC(C)[C@@H](CO)CNCc1ccc([N+](=O)[O-])cc1 ZINC000342194081 358960017 /nfs/dbraw/zinc/96/00/17/358960017.db2.gz DUXWREZNRLBMIF-GFCCVEGCSA-N 0 3 252.314 1.949 20 5 CDBDHN CC1(C)C[C@H](O)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451804162 359082147 /nfs/dbraw/zinc/08/21/47/359082147.db2.gz RUIIUTJVZCYYQP-LLVKDONJSA-N 0 3 282.344 1.274 20 5 CDBDHN CN(C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286991040 359175760 /nfs/dbraw/zinc/17/57/60/359175760.db2.gz OKOOXHHDYMDFQT-UHFFFAOYSA-N 0 3 267.314 1.573 20 5 CDBDHN CC(C)[C@@]1(CO)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000339702957 359430597 /nfs/dbraw/zinc/43/05/97/359430597.db2.gz UWCZTBPRCIAZMF-AWEZNQCLSA-N 0 3 296.371 1.522 20 5 CDBDHN CC1(C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544698400 360800047 /nfs/dbraw/zinc/80/00/47/360800047.db2.gz UUZNBXGJMBXLRA-GFCCVEGCSA-N 0 3 280.324 1.819 20 5 CDBDHN C[C@]1(CO)CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000544759442 360880569 /nfs/dbraw/zinc/88/05/69/360880569.db2.gz DSWWGRCDXMMOEX-CQSZACIVSA-N 0 3 280.324 1.820 20 5 CDBDHN Cc1c(CC(=O)N2C[C@@H](C)NC[C@H]2C)cccc1[N+](=O)[O-] ZINC000237440168 363963828 /nfs/dbraw/zinc/96/38/28/363963828.db2.gz FRZNGFPPCFDMPY-GHMZBOCLSA-N 0 3 291.351 1.655 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CNCCO1 ZINC000415502715 241706710 /nfs/dbraw/zinc/70/67/10/241706710.db2.gz NPFFSPXVRQVBRI-NSHDSACASA-N 0 3 294.311 1.013 20 5 CDBDHN COc1ccc(NC(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000272785916 368157747 /nfs/dbraw/zinc/15/77/47/368157747.db2.gz FQSBCALCLFZDTH-SECBINFHSA-N 0 3 296.327 1.675 20 5 CDBDHN C[C@@H]1C[C@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCN1C ZINC000420593436 244269896 /nfs/dbraw/zinc/26/98/96/244269896.db2.gz BWEMLTARKDDWEV-NXEZZACHSA-N 0 3 292.339 1.588 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330906797 203377984 /nfs/dbraw/zinc/37/79/84/203377984.db2.gz NOGQNNIYBHVNRB-PWSUYJOCSA-N 0 3 277.324 1.807 20 5 CDBDHN C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)C1=CCN(C)CC1 ZINC000272900850 372329253 /nfs/dbraw/zinc/32/92/53/372329253.db2.gz ISEULIHUKDVDJG-QMMMGPOBSA-N 0 3 278.316 1.029 20 5 CDBDHN CC(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272911464 372341485 /nfs/dbraw/zinc/34/14/85/372341485.db2.gz GPNNNNLNMITZIM-UHFFFAOYSA-N 0 3 286.353 1.614 20 5 CDBDHN COc1cc(N2CC(N(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000273294317 373748526 /nfs/dbraw/zinc/74/85/26/373748526.db2.gz KXWGCMRBLBMPSJ-UHFFFAOYSA-N 0 3 269.276 1.493 20 5 CDBDHN COc1ccc(CNC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000113310321 374249782 /nfs/dbraw/zinc/24/97/82/374249782.db2.gz GTRQTLJYCWNNCC-VIFPVBQESA-N 0 3 254.286 1.321 20 5 CDBDHN CCC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423856140 246151554 /nfs/dbraw/zinc/15/15/54/246151554.db2.gz XLKWWJJZPLQLEJ-NSHDSACASA-N 0 3 285.731 1.992 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCO ZINC000299229303 374583181 /nfs/dbraw/zinc/58/31/81/374583181.db2.gz PHIHOWYARZOPLL-UHFFFAOYSA-N 0 3 281.312 1.156 20 5 CDBDHN Cc1c(CN[C@H](CO)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000447920943 374722169 /nfs/dbraw/zinc/72/21/69/374722169.db2.gz YQEQATHKKNNJQC-TZMCWYRMSA-N 0 3 280.324 1.533 20 5 CDBDHN CS[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331333378 374931341 /nfs/dbraw/zinc/93/13/41/374931341.db2.gz PKTWMXZQLYFNAW-SNVBAGLBSA-N 0 3 256.331 1.229 20 5 CDBDHN CCN1C[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000331338849 374934318 /nfs/dbraw/zinc/93/43/18/374934318.db2.gz JNMKXOSHURGFOH-GHMZBOCLSA-N 0 3 281.360 1.243 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)[C@@H]2CCOC2)cs1 ZINC000280382607 374995118 /nfs/dbraw/zinc/99/51/18/374995118.db2.gz VVTYFQMVCPUXEO-GHMZBOCLSA-N 0 3 286.353 1.391 20 5 CDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000344724277 375291277 /nfs/dbraw/zinc/29/12/77/375291277.db2.gz QRSIBJCAPUNNSG-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000344724277 375291289 /nfs/dbraw/zinc/29/12/89/375291289.db2.gz QRSIBJCAPUNNSG-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN CN1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000352136898 375355647 /nfs/dbraw/zinc/35/56/47/375355647.db2.gz FGOZAVCLEJBGKB-UHFFFAOYSA-N 0 3 289.339 1.609 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)N(C)C ZINC000344834611 375540834 /nfs/dbraw/zinc/54/08/34/375540834.db2.gz FPULJHFXNJVFBS-XFFZJAGNSA-N 0 3 277.324 1.676 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCO ZINC000347336610 375573616 /nfs/dbraw/zinc/57/36/16/375573616.db2.gz BDJPAWBIDOODPY-DHZHZOJOSA-N 0 3 250.298 1.922 20 5 CDBDHN COc1c(C(=O)NCCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000355134470 375777954 /nfs/dbraw/zinc/77/79/54/375777954.db2.gz OXLLRIBEBKVFNR-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CN(c1ccc(F)cc1[N+](=O)[O-])C1CCN(CCO)CC1 ZINC000357615033 375922498 /nfs/dbraw/zinc/92/24/98/375922498.db2.gz RSNXOBSMCXZROU-UHFFFAOYSA-N 0 3 297.330 1.627 20 5 CDBDHN CCN1CCN([C@@H](C)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000059389343 375932837 /nfs/dbraw/zinc/93/28/37/375932837.db2.gz XQPBHWYOPPMMJD-LBPRGKRZSA-N 0 3 293.371 1.428 20 5 CDBDHN C[C@@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000263953744 190086225 /nfs/dbraw/zinc/08/62/25/190086225.db2.gz KNHKVOKLORBKEG-VIFPVBQESA-N 0 3 280.332 1.253 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)c1c([N+](=O)[O-])ncn1C ZINC000265224805 190167668 /nfs/dbraw/zinc/16/76/68/190167668.db2.gz PGEYBWXUZNRBJA-SNVBAGLBSA-N 0 3 267.333 1.106 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](CO)C1 ZINC000265796587 190207675 /nfs/dbraw/zinc/20/76/75/190207675.db2.gz HJHWQYXMAXKEAN-NSHDSACASA-N 0 3 266.297 1.288 20 5 CDBDHN CO[C@H]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000267837490 190357932 /nfs/dbraw/zinc/35/79/32/190357932.db2.gz SRGGCLYJFOCBND-NSHDSACASA-N 0 3 293.323 1.644 20 5 CDBDHN CN(C)C/C=C/C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000491850123 253104192 /nfs/dbraw/zinc/10/41/92/253104192.db2.gz QATYODMRTJMRDL-ONEGZZNKSA-N 0 3 293.323 1.208 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1COCCO1)CCC2 ZINC000447533421 285143827 /nfs/dbraw/zinc/14/38/27/285143827.db2.gz RJNILEZTGARVJH-ZFWWWQNUSA-N 0 3 292.335 1.977 20 5 CDBDHN COC[C@@]1(CO)CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000451924146 390919999 /nfs/dbraw/zinc/91/99/99/390919999.db2.gz IGUIILSKDAPSHA-DOMZBBRYSA-N 0 3 294.351 1.987 20 5 CDBDHN Cc1nc(N2CC[C@@]3(CCN(C)C3)C2)ncc1[N+](=O)[O-] ZINC000295685791 391115707 /nfs/dbraw/zinc/11/57/07/391115707.db2.gz NBCQZUPFFFKWEO-CYBMUJFWSA-N 0 3 277.328 1.225 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000268200656 391294989 /nfs/dbraw/zinc/29/49/89/391294989.db2.gz OOAICUYVPGGOOW-MFKMUULPSA-N 0 3 289.335 1.807 20 5 CDBDHN C[C@H](NCC(C)(C)OCCO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294063883 391324205 /nfs/dbraw/zinc/32/42/05/391324205.db2.gz HJRMRRNJWADPEF-JTQLQIEISA-N 0 3 297.355 1.615 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000342219766 130392746 /nfs/dbraw/zinc/39/27/46/130392746.db2.gz JYOPMQAXPWBVMH-LBPRGKRZSA-N 0 3 298.364 1.509 20 5 CDBDHN Cc1c(CC(=O)NCC2(N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000416308295 391985156 /nfs/dbraw/zinc/98/51/56/391985156.db2.gz QARBGVAZBZWLEJ-UHFFFAOYSA-N 0 3 291.351 1.656 20 5 CDBDHN CC(C)(NC(=O)[C@H]1NCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000591675083 391981448 /nfs/dbraw/zinc/98/14/48/391981448.db2.gz QZFXJQBUTIKENO-GFCCVEGCSA-N 0 3 291.351 1.944 20 5 CDBDHN Cc1nc(N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301628012 392770014 /nfs/dbraw/zinc/77/00/14/392770014.db2.gz HXJVOVLNBZYUEH-GFCCVEGCSA-N 0 3 276.340 1.973 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](N)C1CCC1 ZINC000423059755 392958589 /nfs/dbraw/zinc/95/85/89/392958589.db2.gz GJTDTNGPMPJTKC-ZDUSSCGKSA-N 0 3 293.323 1.347 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)NCC1CC1 ZINC000449227831 393131210 /nfs/dbraw/zinc/13/12/10/393131210.db2.gz QWIVUKRGEKZGNK-NSHDSACASA-N 0 3 291.351 1.642 20 5 CDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449651804 393137832 /nfs/dbraw/zinc/13/78/32/393137832.db2.gz AECVEMSVZSHJDF-SNVBAGLBSA-N 0 3 285.250 1.322 20 5 CDBDHN CN(C)CCOCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000226738369 140181236 /nfs/dbraw/zinc/18/12/36/140181236.db2.gz GBGFRSCLYYWEDU-UHFFFAOYSA-N 0 3 271.292 1.724 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@@H]1C ZINC000343071564 152021632 /nfs/dbraw/zinc/02/16/32/152021632.db2.gz FTPINOSKRMRRAG-WDEREUQCSA-N 0 3 294.355 1.916 20 5 CDBDHN CCO[C@H]1COCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000362025393 159042374 /nfs/dbraw/zinc/04/23/74/159042374.db2.gz KWIWMOWCSPFTCW-JSGCOSHPSA-N 0 3 280.324 1.878 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](CN(C)C)C1 ZINC000266504198 287152514 /nfs/dbraw/zinc/15/25/14/287152514.db2.gz BIEZTYPYOLOCND-QWHCGFSZSA-N 0 3 293.367 1.918 20 5 CDBDHN CCN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000021797888 171325002 /nfs/dbraw/zinc/32/50/02/171325002.db2.gz FHSMAZPSJBQQGI-SNVBAGLBSA-N 0 3 250.302 1.886 20 5 CDBDHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000038083130 174092718 /nfs/dbraw/zinc/09/27/18/174092718.db2.gz CADCGNUADFRKET-GHMZBOCLSA-N 0 3 298.364 1.680 20 5 CDBDHN Cc1cc(N2CCN[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000310871117 274708809 /nfs/dbraw/zinc/70/88/09/274708809.db2.gz MARBXLBCGDCJSX-VIFPVBQESA-N 0 3 253.277 1.840 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000269328289 276041085 /nfs/dbraw/zinc/04/10/85/276041085.db2.gz DRWIVNIWJOPSMV-SECBINFHSA-N 0 3 295.343 1.217 20 5 CDBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N)c3F)[C@H]2C1 ZINC000286576129 277146877 /nfs/dbraw/zinc/14/68/77/277146877.db2.gz RZNYANPUSVHZQW-SKDRFNHKSA-N 0 3 294.330 1.847 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000149166700 277162760 /nfs/dbraw/zinc/16/27/60/277162760.db2.gz ORRMUSVYRWGTDP-SECBINFHSA-N 0 3 297.742 1.930 20 5 CDBDHN C[C@@H](CN1CCCC1=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037783001 278251268 /nfs/dbraw/zinc/25/12/68/278251268.db2.gz JVKGPBKANVJALC-NSHDSACASA-N 0 3 277.324 1.695 20 5 CDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286477459 278970725 /nfs/dbraw/zinc/97/07/25/278970725.db2.gz WHQNVIDVFNAYSU-ZJUUUORDSA-N 0 3 292.343 1.030 20 5 CDBDHN COCC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532036481 281892922 /nfs/dbraw/zinc/89/29/22/281892922.db2.gz FPUCIWDSELSCKQ-GFCCVEGCSA-N 0 3 294.355 1.537 20 5 CDBDHN CN1C[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000563419427 316304049 /nfs/dbraw/zinc/30/40/49/316304049.db2.gz UYKRRXTVZPBOBS-SKDRFNHKSA-N 0 3 275.308 1.402 20 5 CDBDHN O=C(CNC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000579819958 324288394 /nfs/dbraw/zinc/28/83/94/324288394.db2.gz HCIZZOCYAGETNQ-UHFFFAOYSA-N 0 3 261.281 1.236 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1COCCO1 ZINC000580095138 324371004 /nfs/dbraw/zinc/37/10/04/324371004.db2.gz JDPKKCSYUHNSCO-GXFFZTMASA-N 0 3 278.308 1.587 20 5 CDBDHN COCCN(C)CCNCc1ccccc1[N+](=O)[O-] ZINC000061375993 523608408 /nfs/dbraw/zinc/60/84/08/523608408.db2.gz AIDDZQSTSPICLE-UHFFFAOYSA-N 0 3 267.329 1.263 20 5 CDBDHN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000245715386 524476307 /nfs/dbraw/zinc/47/63/07/524476307.db2.gz URHRPWKJXJUPHI-NXEZZACHSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000049502020 524609759 /nfs/dbraw/zinc/60/97/59/524609759.db2.gz IHBPFNDAMNBUDC-JTQLQIEISA-N 0 3 265.317 1.671 20 5 CDBDHN C[C@H](N[C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018639 525551902 /nfs/dbraw/zinc/55/19/02/525551902.db2.gz YLLWRHGGGAGMOS-GXSJLCMTSA-N 0 3 263.297 1.524 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC(OCC3CC3)CC2)n1 ZINC000363360052 527406973 /nfs/dbraw/zinc/40/69/73/527406973.db2.gz BWCBSJFWKCMDTQ-UHFFFAOYSA-N 0 3 294.355 1.682 20 5 CDBDHN CC(C)[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269097658 535206761 /nfs/dbraw/zinc/20/67/61/535206761.db2.gz MWPOYKBRYDXONV-LLVKDONJSA-N 0 3 285.731 1.848 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423820478 535951668 /nfs/dbraw/zinc/95/16/68/535951668.db2.gz CAWPSXZSDWUCBQ-ZANVPECISA-N 0 3 292.339 1.248 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](O)c2ccco2)c1 ZINC000749670299 576957008 /nfs/dbraw/zinc/95/70/08/576957008.db2.gz KOIIMUFHGUCRDH-STQMWFEESA-N 0 3 292.291 1.544 20 5 CDBDHN CC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813104885 617343177 /nfs/dbraw/zinc/34/31/77/617343177.db2.gz SORVSTUDVFFRFV-SSDOTTSWSA-N 0 3 284.243 1.606 20 5 CDBDHN Cn1ncc(CNCCn2cc([N+](=O)[O-])cn2)c1C1CC1 ZINC000893133118 617402286 /nfs/dbraw/zinc/40/22/86/617402286.db2.gz ARSJAQUVGOZOKM-UHFFFAOYSA-N 0 3 290.327 1.192 20 5 CDBDHN CC(COC(=O)c1cccnc1C(F)F)[N+](=O)[O-] ZINC000893046446 618093680 /nfs/dbraw/zinc/09/36/80/618093680.db2.gz BWVFGBGZNGIIBA-ZCFIWIBFSA-N 0 3 260.196 1.841 20 5 CDBDHN CC(COC(=O)c1csc(N2CCCCC2)n1)[N+](=O)[O-] ZINC000893046909 618099333 /nfs/dbraw/zinc/09/93/33/618099333.db2.gz HNCGFXPNKIPAEZ-VIFPVBQESA-N 0 3 299.352 1.955 20 5 CDBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H]2C1 ZINC000893936083 618195823 /nfs/dbraw/zinc/19/58/23/618195823.db2.gz VEFSWYLUQUCHCZ-RNCFNFMXSA-N 0 3 292.295 1.643 20 5 CDBDHN CCN1CCCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000892459681 618224342 /nfs/dbraw/zinc/22/43/42/618224342.db2.gz CWQPEFOHPYJLHB-JTQLQIEISA-N 0 3 267.333 1.615 20 5 CDBDHN Cc1cc(=O)n(C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000917221604 632177525 /nfs/dbraw/zinc/17/75/25/632177525.db2.gz YUJKFKCQKJEQJT-JTQLQIEISA-N 0 3 251.286 1.159 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCCCC1 ZINC000917838437 632288188 /nfs/dbraw/zinc/28/81/88/632288188.db2.gz LVCUTGLPMQQDOD-NSHDSACASA-N 0 3 294.355 1.538 20 5 CDBDHN COc1ccc(C[C@H](C)NC2COC2)c([N+](=O)[O-])c1 ZINC001170299773 1162328333 /nfs/dbraw/zinc/32/83/33/1162328333.db2.gz WNALZEGCQSSHCC-VIFPVBQESA-N 0 3 266.297 1.523 20 5 CDBDHN COc1ccc(C[C@@H](C)NC2COC2)c([N+](=O)[O-])c1 ZINC001170299772 1162328719 /nfs/dbraw/zinc/32/87/19/1162328719.db2.gz WNALZEGCQSSHCC-SECBINFHSA-N 0 3 266.297 1.523 20 5 CDBDHN C[C@@H](Nc1cnc(Cl)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170568205 1162945553 /nfs/dbraw/zinc/94/55/53/1162945553.db2.gz HCUNWLJGKVUUNZ-XCBNKYQSSA-N 0 3 286.719 1.432 20 5 CDBDHN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001307195204 1167455641 /nfs/dbraw/zinc/45/56/41/1167455641.db2.gz MOSDHLRSAHENKE-JTQLQIEISA-N 0 3 278.312 1.200 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCNC[C@@H]1F ZINC001579734144 1172250795 /nfs/dbraw/zinc/25/07/95/1172250795.db2.gz PKSZMJLSBRPYAE-NWDGAFQWSA-N 0 3 281.287 1.333 20 5 CDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000401230693 1186408098 /nfs/dbraw/zinc/40/80/98/1186408098.db2.gz MZIPRHIRJHKTAX-XHNCKOQMSA-N 0 3 283.353 1.867 20 5 CDBDHN CCN1[C@H](C)CN(Cc2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000886270503 726309600 /nfs/dbraw/zinc/30/96/00/726309600.db2.gz FNVQAXTUVYUKDL-TXEJJXNPSA-N 0 3 278.356 1.904 20 5 CDBDHN CC(C)(C)[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000776590433 726985884 /nfs/dbraw/zinc/98/58/84/726985884.db2.gz DTPANINEWVJFKJ-VXGBXAGGSA-N 0 3 295.339 1.118 20 5 CDBDHN CC(COC(=O)c1ccc2nccnc2c1)[N+](=O)[O-] ZINC000813109561 727212258 /nfs/dbraw/zinc/21/22/58/727212258.db2.gz LOVPVWJLRGJVAH-QMMMGPOBSA-N 0 3 261.237 1.452 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H]2CO)cc1 ZINC000776578082 727396391 /nfs/dbraw/zinc/39/63/91/727396391.db2.gz DGBMBZPQSGZUPQ-CHWSQXEVSA-N 0 3 266.297 1.085 20 5 CDBDHN CCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C2CC2)n1 ZINC000870378420 727463770 /nfs/dbraw/zinc/46/37/70/727463770.db2.gz WQZQZUAFOWXQHE-QMMMGPOBSA-N 0 3 267.285 1.602 20 5 CDBDHN CC[S@](=O)CCNCc1cccc([N+](=O)[O-])c1C ZINC000132811753 727474436 /nfs/dbraw/zinc/47/44/36/727474436.db2.gz AVGVJZBCVMDTBC-GOSISDBHSA-N 0 3 270.354 1.761 20 5 CDBDHN CCC[C@H](C)[C@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886267779 728027220 /nfs/dbraw/zinc/02/72/20/728027220.db2.gz UXRBHSDQMVAFEM-JQWIXIFHSA-N 0 3 267.329 1.877 20 5 CDBDHN CC(COC(=O)c1cnn2cccc(Cl)c12)[N+](=O)[O-] ZINC000851037192 728102393 /nfs/dbraw/zinc/10/23/93/728102393.db2.gz RUYAWONRNQMXIF-SSDOTTSWSA-N 0 3 283.671 1.810 20 5 CDBDHN NC(=O)CC1(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000817410655 728134618 /nfs/dbraw/zinc/13/46/18/728134618.db2.gz CPSHBZQCANCQRS-UHFFFAOYSA-N 0 3 297.742 1.993 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCCS(C)(=O)=O ZINC001173210020 912330264 /nfs/dbraw/zinc/33/02/64/912330264.db2.gz GQSAZTJHJYULSW-JTQLQIEISA-N 0 3 286.353 1.160 20 5 CDBDHN CC(C)N1CC[C@@H](Oc2ncc(F)cc2[N+](=O)[O-])C1 ZINC001226751604 905571463 /nfs/dbraw/zinc/57/14/63/905571463.db2.gz MRMAKJOAUFHNSM-SNVBAGLBSA-N 0 3 269.276 1.990 20 5 CDBDHN Cc1ccc(Cn2cc([C@@H](C)N)nn2)cc1[N+](=O)[O-] ZINC000714021692 926577057 /nfs/dbraw/zinc/57/70/57/926577057.db2.gz WDDUHPXHSYPPQF-SECBINFHSA-N 0 3 261.285 1.563 20 5 CDBDHN CC(COC(=O)C[C@H](n1cccn1)C(F)(F)F)[N+](=O)[O-] ZINC000851036624 927504553 /nfs/dbraw/zinc/50/45/53/927504553.db2.gz KYKGMAFKIVTLMV-SFYZADRCSA-N 0 3 295.217 1.585 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCCCC23COC3)C1 ZINC001169037254 927647373 /nfs/dbraw/zinc/64/73/73/927647373.db2.gz RLWNXAVLEYRTJR-NWDGAFQWSA-N 0 3 254.330 1.687 20 5 CDBDHN COC(=O)[C@H](C(C)C)N(C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039977 927653267 /nfs/dbraw/zinc/65/32/67/927653267.db2.gz WNDWBEHPVZIBLT-WOPDTQHZSA-N 0 3 272.345 1.561 20 5 CDBDHN COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1nncc1CN ZINC001169312409 927919403 /nfs/dbraw/zinc/91/94/03/927919403.db2.gz XRXXAUVNCRYMAF-UHFFFAOYSA-N 0 3 297.702 1.605 20 5 CDBDHN CC/C=C/CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001112835659 929479517 /nfs/dbraw/zinc/47/95/17/929479517.db2.gz IJZMYTQSEANUOG-CDJBXZAQSA-N 0 3 281.356 1.152 20 5 CDBDHN Cc1cnc(N[C@@H](C)[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001159489963 938732479 /nfs/dbraw/zinc/73/24/79/938732479.db2.gz SGKOIBGASJBWTL-GXSJLCMTSA-N 0 3 266.301 1.087 20 5 CDBDHN NCc1ccnn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001162592675 939097550 /nfs/dbraw/zinc/09/75/50/939097550.db2.gz MANUFAZAEDCJMR-UHFFFAOYSA-N 0 3 287.254 1.927 20 5 CDBDHN O=[N+]([O-])c1ccc(O[C@@H]2CN3C[C@H]2NCC3)c2ccccc21 ZINC001218108320 941039416 /nfs/dbraw/zinc/03/94/16/941039416.db2.gz BDPGLRFBBBBBJQ-CZUORRHYSA-N 0 3 299.330 1.783 20 5 CDBDHN CN1CC[C@@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227217367 942150833 /nfs/dbraw/zinc/15/08/33/942150833.db2.gz WHILCCOYZRLWEJ-SNVBAGLBSA-N 0 3 289.291 1.932 20 5 CDBDHN CN1CC[C@@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229399539 942465280 /nfs/dbraw/zinc/46/52/80/942465280.db2.gz LWCZAAOPDMKIRL-SNVBAGLBSA-N 0 3 274.280 1.621 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1ccno1)C2 ZINC001254565630 947528422 /nfs/dbraw/zinc/52/84/22/947528422.db2.gz FANDDBQXQRRHOR-NSHDSACASA-N 0 3 259.265 1.840 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCC(O)CC1)C2 ZINC001254600257 947550331 /nfs/dbraw/zinc/55/03/31/947550331.db2.gz ROOUYSPRYIZIKP-CYBMUJFWSA-N 0 3 262.309 1.519 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CCN(C)C[C@H]2C1 ZINC000601185700 342489290 /nfs/dbraw/zinc/48/92/90/342489290.db2.gz ZAMPQDYMTLKOIG-NEPJUHHUSA-N 0 3 276.340 1.686 20 5 CDBDHN CN(C)C[C@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000589101536 342496851 /nfs/dbraw/zinc/49/68/51/342496851.db2.gz IALAMQYFNMTDSX-SECBINFHSA-N 0 3 257.265 1.068 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000589102103 342496975 /nfs/dbraw/zinc/49/69/75/342496975.db2.gz ZSRVCBZAHMXUNZ-QMMMGPOBSA-N 0 3 257.265 1.068 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCSC[C@H]2C2CC2)c1 ZINC000590758663 342588497 /nfs/dbraw/zinc/58/84/97/342588497.db2.gz CXEWSJPZCHWWLG-LBPRGKRZSA-N 0 3 282.369 1.619 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CCOC3)CC2)cn1 ZINC000047702610 342107293 /nfs/dbraw/zinc/10/72/93/342107293.db2.gz IYXQGFKHHGGLHV-LBPRGKRZSA-N 0 3 292.339 1.148 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@H](F)CN2)c(F)c1 ZINC000591281607 342624084 /nfs/dbraw/zinc/62/40/84/342624084.db2.gz DNXQATWISGIAGM-UWVGGRQHSA-N 0 3 271.267 1.524 20 5 CDBDHN COc1ccc(CNC[C@@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453583837 252327992 /nfs/dbraw/zinc/32/79/92/252327992.db2.gz DJYSCBBGDGDYDO-CQSZACIVSA-N 0 3 293.323 1.362 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057718581 342151880 /nfs/dbraw/zinc/15/18/80/342151880.db2.gz KTXSUBOBSOVRGE-JTQLQIEISA-N 0 3 277.324 1.807 20 5 CDBDHN CCc1[nH]nc(-c2nc([C@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000592356873 342688452 /nfs/dbraw/zinc/68/84/52/342688452.db2.gz JXHDSGSBABMFPJ-SSDOTTSWSA-N 0 3 278.272 1.355 20 5 CDBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)C ZINC000289928277 361904183 /nfs/dbraw/zinc/90/41/83/361904183.db2.gz WGOHBBZCXQJUNC-UHFFFAOYSA-N 0 3 280.328 1.840 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H](CO)CCF ZINC000593690189 342823475 /nfs/dbraw/zinc/82/34/75/342823475.db2.gz UQAMFJYQANBLIZ-OGOUPESXSA-N 0 3 268.288 1.918 20 5 CDBDHN C[C@@H](NC[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600712233 342243875 /nfs/dbraw/zinc/24/38/75/342243875.db2.gz VCUKMKAEWPNIKE-PWSUYJOCSA-N 0 3 265.313 1.234 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419790 342903112 /nfs/dbraw/zinc/90/31/12/342903112.db2.gz RLQRULLASIAIHI-GHMZBOCLSA-N 0 3 293.327 1.065 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420482 342903233 /nfs/dbraw/zinc/90/32/33/342903233.db2.gz VDTNDPJSKWLWDK-VHSXEESVSA-N 0 3 293.327 1.065 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000594420482 342903234 /nfs/dbraw/zinc/90/32/34/342903234.db2.gz VDTNDPJSKWLWDK-VHSXEESVSA-N 0 3 293.327 1.065 20 5 CDBDHN Cn1nnc2c1CC[C@@H](NCc1csc([N+](=O)[O-])c1)C2 ZINC000594517109 342917033 /nfs/dbraw/zinc/91/70/33/342917033.db2.gz VHDNUXIMSHHSTN-SECBINFHSA-N 0 3 293.352 1.432 20 5 CDBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000274134166 539101468 /nfs/dbraw/zinc/10/14/68/539101468.db2.gz YQYLWWGVONOOCA-CABZTGNLSA-N 0 3 293.323 1.208 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000108335995 349735595 /nfs/dbraw/zinc/73/55/95/349735595.db2.gz BFBATIVMMKVGBS-LLVKDONJSA-N 0 3 277.324 1.666 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC1=CCCOC1 ZINC000595751040 343152232 /nfs/dbraw/zinc/15/22/32/343152232.db2.gz FWLPPJYSJNNQHW-UHFFFAOYSA-N 0 3 266.301 1.070 20 5 CDBDHN Cc1c([C@@H](C)N[C@H]2CC(=O)N(C)C2)cccc1[N+](=O)[O-] ZINC000268812990 365738827 /nfs/dbraw/zinc/73/88/27/365738827.db2.gz HOQNPRKLUVOZGM-MNOVXSKESA-N 0 3 277.324 1.785 20 5 CDBDHN CCCC[N@H+](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596124314 343236360 /nfs/dbraw/zinc/23/63/60/343236360.db2.gz VITUPUQARFWPCM-UHFFFAOYSA-N 0 3 268.317 1.839 20 5 CDBDHN CCCC[N@@H+](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596124314 343236362 /nfs/dbraw/zinc/23/63/62/343236362.db2.gz VITUPUQARFWPCM-UHFFFAOYSA-N 0 3 268.317 1.839 20 5 CDBDHN Nc1ccc(N2CC[C@H](N3CC=CC3)C2)nc1[N+](=O)[O-] ZINC000596143101 343242596 /nfs/dbraw/zinc/24/25/96/343242596.db2.gz YAIYXFHCEAJVDI-JTQLQIEISA-N 0 3 275.312 1.023 20 5 CDBDHN CN(C)C[C@H](CO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000596243388 343285491 /nfs/dbraw/zinc/28/54/91/343285491.db2.gz LEQBUPIAFFOKRM-MRVPVSSYSA-N 0 3 257.265 1.068 20 5 CDBDHN Cc1c([C@@H](C)NCC2(CO)COC2)cccc1[N+](=O)[O-] ZINC000090606632 342396626 /nfs/dbraw/zinc/39/66/26/342396626.db2.gz YYPQNVRBBOTPQO-LLVKDONJSA-N 0 3 280.324 1.563 20 5 CDBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000066958952 343380504 /nfs/dbraw/zinc/38/05/04/343380504.db2.gz GHQYOKAUBDKPEY-UHFFFAOYSA-N 0 3 281.312 1.285 20 5 CDBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000597925729 343663487 /nfs/dbraw/zinc/66/34/87/343663487.db2.gz QLTNPELHSCWZRL-SECBINFHSA-N 0 3 281.312 1.790 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccsc2)c1 ZINC000063152708 344396169 /nfs/dbraw/zinc/39/61/69/344396169.db2.gz ZGJYFTQZGXTPLX-LLVKDONJSA-N 0 3 282.325 1.004 20 5 CDBDHN COC[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778657 344593954 /nfs/dbraw/zinc/59/39/54/344593954.db2.gz JMCXYTZIXGEUQU-NSHDSACASA-N 0 3 268.317 1.068 20 5 CDBDHN CCN(CCOC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602763454 344583887 /nfs/dbraw/zinc/58/38/87/344583887.db2.gz KPGPWDSBESFQPL-UHFFFAOYSA-N 0 3 256.306 1.068 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](O)C12CCCC2 ZINC000602835305 344618446 /nfs/dbraw/zinc/61/84/46/344618446.db2.gz ADZSMHPSPLPIDV-LBPRGKRZSA-N 0 3 294.355 1.479 20 5 CDBDHN CS[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602837751 344619637 /nfs/dbraw/zinc/61/96/37/344619637.db2.gz ZTEPEBNIEXEBEW-JTQLQIEISA-N 0 3 270.358 1.537 20 5 CDBDHN CC1(F)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000602993295 344682700 /nfs/dbraw/zinc/68/27/00/344682700.db2.gz WUYSFOJHYWFIHP-UHFFFAOYSA-N 0 3 256.281 1.615 20 5 CDBDHN CC(C)[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000609965686 346051492 /nfs/dbraw/zinc/05/14/92/346051492.db2.gz PTJJIKWZQMOSJW-GFCCVEGCSA-N 0 3 264.329 1.766 20 5 CDBDHN COCC[C@@H](C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523132 346066537 /nfs/dbraw/zinc/06/65/37/346066537.db2.gz HYMYTEJFLLCHMQ-NEPJUHHUSA-N 0 3 294.355 1.901 20 5 CDBDHN CN(C)CCN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000085360469 179032313 /nfs/dbraw/zinc/03/23/13/179032313.db2.gz UVXZOGULBXHLCZ-RMKNXTFCSA-N 0 3 277.324 1.628 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)CN1C1CC1 ZINC000610653925 346336087 /nfs/dbraw/zinc/33/60/87/346336087.db2.gz CABVMWLVEXPWCG-BDAKNGLRSA-N 0 3 278.312 1.278 20 5 CDBDHN CCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611092375 346605995 /nfs/dbraw/zinc/60/59/95/346605995.db2.gz RTTQHFVVLXMRKT-CYBMUJFWSA-N 0 3 293.367 2.000 20 5 CDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000169982012 362807227 /nfs/dbraw/zinc/80/72/27/362807227.db2.gz HARHDCHSWHMIFN-JTQLQIEISA-N 0 3 278.312 1.137 20 5 CDBDHN CCN(C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066949042 347547928 /nfs/dbraw/zinc/54/79/28/347547928.db2.gz VUPKTIQUIRWYRE-UHFFFAOYSA-N 0 3 290.323 1.758 20 5 CDBDHN C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])ncn2C)CCN1C ZINC000090794955 348157039 /nfs/dbraw/zinc/15/70/39/348157039.db2.gz DNLUGODZACHQSO-IUCAKERBSA-N 0 3 253.306 1.223 20 5 CDBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)nc1 ZINC000059363459 348880050 /nfs/dbraw/zinc/88/00/50/348880050.db2.gz DBCZSNHEHXAKSQ-UHFFFAOYSA-N 0 3 280.328 1.249 20 5 CDBDHN C[C@@H](NC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090848562 180045031 /nfs/dbraw/zinc/04/50/31/180045031.db2.gz KGXVJHOWCRTRKC-ZWNOBZJWSA-N 0 3 266.297 1.397 20 5 CDBDHN Cc1ccc(CNC[C@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000105471766 186059580 /nfs/dbraw/zinc/05/95/80/186059580.db2.gz LMGMTIWXPYXTLB-ZDUSSCGKSA-N 0 3 279.340 1.323 20 5 CDBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1F)OCCO ZINC000313590513 535147796 /nfs/dbraw/zinc/14/77/96/535147796.db2.gz ZGCBSHWWKDALKM-UHFFFAOYSA-N 0 3 286.303 1.611 20 5 CDBDHN Nc1ccc(N[C@@H]2CCN(C3CC3)C2)nc1[N+](=O)[O-] ZINC000311642360 350702087 /nfs/dbraw/zinc/70/20/87/350702087.db2.gz LECCVPZCYZSUPS-MRVPVSSYSA-N 0 3 263.301 1.221 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CNCCO2)c2ncccc12 ZINC000123539085 187097263 /nfs/dbraw/zinc/09/72/63/187097263.db2.gz QRCGVBAMDRTNBQ-SNVBAGLBSA-N 0 3 288.307 1.543 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CNCCO2)c2ncccc12 ZINC000123538897 187097672 /nfs/dbraw/zinc/09/76/72/187097672.db2.gz QRCGVBAMDRTNBQ-JTQLQIEISA-N 0 3 288.307 1.543 20 5 CDBDHN CC[C@@H](CNc1ncc([N+](=O)[O-])cn1)N1CCCC1 ZINC000273564632 192207060 /nfs/dbraw/zinc/20/70/60/192207060.db2.gz CFKFWXVPSAKREA-JTQLQIEISA-N 0 3 265.317 1.671 20 5 CDBDHN O=[N+]([O-])c1cccc(F)c1NCCCN1CCC(O)CC1 ZINC000286480334 356731659 /nfs/dbraw/zinc/73/16/59/356731659.db2.gz UNODAXRLTJSSBT-UHFFFAOYSA-N 0 3 297.330 1.993 20 5 CDBDHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000610708858 357827350 /nfs/dbraw/zinc/82/73/50/357827350.db2.gz WPMKECKTHMVHAH-UFBFGSQYSA-N 0 3 278.312 1.135 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000247445983 358330683 /nfs/dbraw/zinc/33/06/83/358330683.db2.gz PUBGRRJEDKIZLK-VHSXEESVSA-N 0 3 281.312 1.600 20 5 CDBDHN Cc1ccc(CN2C[C@H](C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000361657692 358403200 /nfs/dbraw/zinc/40/32/00/358403200.db2.gz WKXFYQXIEZIHDL-WCQYABFASA-N 0 3 264.325 1.963 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCCOCCO)c(Cl)c1 ZINC000230147936 358659897 /nfs/dbraw/zinc/65/98/97/358659897.db2.gz ABRCHVIEBNBYRX-UHFFFAOYSA-N 0 3 288.731 1.737 20 5 CDBDHN CC(=O)c1cc(N2C[C@H]3CCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000450774744 359001485 /nfs/dbraw/zinc/00/14/85/359001485.db2.gz DOUFBOFMDCZKRR-ABAIWWIYSA-N 0 3 289.335 1.938 20 5 CDBDHN CC[C@H](C)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000451833340 359084073 /nfs/dbraw/zinc/08/40/73/359084073.db2.gz CUTMLGUAXYPYDH-LBPRGKRZSA-N 0 3 281.360 1.207 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000342441786 359052952 /nfs/dbraw/zinc/05/29/52/359052952.db2.gz SPJJVWDQWUDAAE-MRVPVSSYSA-N 0 3 284.291 1.806 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000339620066 359417873 /nfs/dbraw/zinc/41/78/73/359417873.db2.gz SUKGVWUBWSWTSP-STQMWFEESA-N 0 3 293.367 1.998 20 5 CDBDHN CCO[C@H]1COCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000353190640 359580583 /nfs/dbraw/zinc/58/05/83/359580583.db2.gz OLRNCPLZCPRLGA-KGLIPLIRSA-N 0 3 280.324 1.878 20 5 CDBDHN CN1CC[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000571749111 359608943 /nfs/dbraw/zinc/60/89/43/359608943.db2.gz RIAHBRRLJMLCRC-LLVKDONJSA-N 0 3 291.351 1.898 20 5 CDBDHN NC1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000296947367 200042604 /nfs/dbraw/zinc/04/26/04/200042604.db2.gz TUEASRWLUGVTHY-UHFFFAOYSA-N 0 3 283.715 1.746 20 5 CDBDHN Cc1cccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408472213 359822590 /nfs/dbraw/zinc/82/25/90/359822590.db2.gz ZHOGTFZNLHSRHC-YPMHNXCESA-N 0 3 289.335 1.679 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCCC3)C2)c1 ZINC000192789070 283666747 /nfs/dbraw/zinc/66/67/47/283666747.db2.gz MVRLUPCHTCAWJV-LBPRGKRZSA-N 0 3 276.340 1.852 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@]1(CO)CCOC1 ZINC000184197328 189379040 /nfs/dbraw/zinc/37/90/40/189379040.db2.gz IGLVXPRHQKAPMT-LYKUJDHUSA-N 0 3 278.308 1.349 20 5 CDBDHN C[C@@H](O)[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000581939060 364059238 /nfs/dbraw/zinc/05/92/38/364059238.db2.gz IPQYTOALUZQBGX-HTQZYQBOSA-N 0 3 264.285 1.330 20 5 CDBDHN C[C@H](O)[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546607 367760134 /nfs/dbraw/zinc/76/01/34/367760134.db2.gz KEURAKIQVVMUHW-NWDGAFQWSA-N 0 3 280.324 1.676 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@H]1CCCN1C ZINC000420630196 244295922 /nfs/dbraw/zinc/29/59/22/244295922.db2.gz DNGVKKJVRCWOJT-NSHDSACASA-N 0 3 281.360 1.650 20 5 CDBDHN Cc1c(CC(=O)N2CCCNCC2)cccc1[N+](=O)[O-] ZINC000422711028 245169845 /nfs/dbraw/zinc/16/98/45/245169845.db2.gz MRXGNDZGIKZLHL-UHFFFAOYSA-N 0 3 277.324 1.268 20 5 CDBDHN CN1CCNC[C@@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414979620 371199231 /nfs/dbraw/zinc/19/92/31/371199231.db2.gz UTQFROADAHXEFI-GFCCVEGCSA-N 0 3 298.774 1.241 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N)cc1[N+](=O)[O-] ZINC000121818445 373238636 /nfs/dbraw/zinc/23/86/36/373238636.db2.gz LIRDCIFGYPEJCR-RKDXNWHRSA-N 0 3 251.286 1.428 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000269635442 373243369 /nfs/dbraw/zinc/24/33/69/373243369.db2.gz HEZTZOVDPBCNQO-GFCCVEGCSA-N 0 3 268.313 1.331 20 5 CDBDHN C[C@H]1C[C@H](CO)CN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000420943748 374308967 /nfs/dbraw/zinc/30/89/67/374308967.db2.gz QEPHQHMBOBXDCL-STQMWFEESA-N 0 3 294.351 1.924 20 5 CDBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423510313 374389166 /nfs/dbraw/zinc/38/91/66/374389166.db2.gz JNROMJSONJLHRR-UHFFFAOYSA-N 0 3 295.339 1.177 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000081554998 374518926 /nfs/dbraw/zinc/51/89/26/374518926.db2.gz OVEDZUSZANMJRW-JTQLQIEISA-N 0 3 265.313 1.409 20 5 CDBDHN CN1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000378350507 374642335 /nfs/dbraw/zinc/64/23/35/374642335.db2.gz OMAMRXGALKTPJO-UHFFFAOYSA-N 0 3 293.323 1.888 20 5 CDBDHN CCC[C@@H](NC[C@@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154319183 374695814 /nfs/dbraw/zinc/69/58/14/374695814.db2.gz QNUSOKKMVAHSME-HUUCEWRRSA-N 0 3 295.383 1.948 20 5 CDBDHN CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000350896401 375252377 /nfs/dbraw/zinc/25/23/77/375252377.db2.gz GTIOCHRKVXREMW-UHFFFAOYSA-N 0 3 295.343 1.034 20 5 CDBDHN CCN1CC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000493587153 375466074 /nfs/dbraw/zinc/46/60/74/375466074.db2.gz QHVDLGCMQHGYQN-MEJMFZKBSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@@H](O)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000162836532 375530800 /nfs/dbraw/zinc/53/08/00/375530800.db2.gz FYFUVYQAAYWIFJ-MNOVXSKESA-N 0 3 250.298 1.798 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CNCCO1 ZINC000134267908 375946502 /nfs/dbraw/zinc/94/65/02/375946502.db2.gz ISEAXDYTUXJLDF-VIFPVBQESA-N 0 3 271.704 1.649 20 5 CDBDHN C[C@@H]1NCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000262758361 190062554 /nfs/dbraw/zinc/06/25/54/190062554.db2.gz HZQOJNTXCLACHV-QWRGUYRKSA-N 0 3 293.323 1.182 20 5 CDBDHN COCCN1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000264607496 190122433 /nfs/dbraw/zinc/12/24/33/190122433.db2.gz OSTGEDFTYKFMIV-LLVKDONJSA-N 0 3 283.303 1.867 20 5 CDBDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264913154 190144162 /nfs/dbraw/zinc/14/41/62/190144162.db2.gz FWVXWPCROINFGW-NXEZZACHSA-N 0 3 278.312 1.232 20 5 CDBDHN CC[C@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294304421 377404375 /nfs/dbraw/zinc/40/43/75/377404375.db2.gz NMQOLZBDHQDOTB-WPRPVWTQSA-N 0 3 253.302 1.599 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000354411436 377491918 /nfs/dbraw/zinc/49/19/18/377491918.db2.gz UNQASDJAPYYBJI-UHFFFAOYSA-N 0 3 292.339 1.345 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc([N+](=O)[O-])cn1 ZINC000265228338 190167415 /nfs/dbraw/zinc/16/74/15/190167415.db2.gz QDTHJQZIQWRLHQ-LLVKDONJSA-N 0 3 264.329 1.768 20 5 CDBDHN COc1cc(CNCCC[C@@H](C)O)c([N+](=O)[O-])cc1OC ZINC000278759537 194141257 /nfs/dbraw/zinc/14/12/57/194141257.db2.gz XDWCSSSRKYIKIK-SNVBAGLBSA-N 0 3 298.339 1.863 20 5 CDBDHN C[C@@H]1C[C@@H](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000266940278 190292224 /nfs/dbraw/zinc/29/22/24/190292224.db2.gz PRKXKWVJMFOCCQ-WDEREUQCSA-N 0 3 252.318 1.912 20 5 CDBDHN CN(C)[C@]1(CNc2c([N+](=O)[O-])ncn2C)CCSC1 ZINC000267119416 190305184 /nfs/dbraw/zinc/30/51/84/190305184.db2.gz SYBPXBJEVSPCHR-NSHDSACASA-N 0 3 285.373 1.178 20 5 CDBDHN Cc1nc(NC[C@@H](C)N2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450255441 251195047 /nfs/dbraw/zinc/19/50/47/251195047.db2.gz BSWNSRWFUSUOTQ-GHMZBOCLSA-N 0 3 293.371 1.790 20 5 CDBDHN Cc1nc(NCCN2[C@H](C)CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450326719 251224538 /nfs/dbraw/zinc/22/45/38/251224538.db2.gz ZGADVFQAFOCLIS-GHMZBOCLSA-N 0 3 293.371 1.790 20 5 CDBDHN CCOc1cc(CNC(C)(C)CC(N)=O)ccc1[N+](=O)[O-] ZINC000492815040 253301615 /nfs/dbraw/zinc/30/16/15/253301615.db2.gz CPSMAVFSJMKRTK-UHFFFAOYSA-N 0 3 295.339 1.737 20 5 CDBDHN CN(C)C1(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000493759750 253549079 /nfs/dbraw/zinc/54/90/79/253549079.db2.gz UKXCFJUNXZJRCY-FPLPWBNLSA-N 0 3 289.335 1.818 20 5 CDBDHN O=[N+]([O-])c1ccc2nc(O[C@H]3CCC[NH2+]C3)[n-]c2c1 ZINC000094772357 285141421 /nfs/dbraw/zinc/14/14/21/285141421.db2.gz FFAORFRGDFOWNO-VIFPVBQESA-N 0 3 262.269 1.602 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCCO)CCC2 ZINC000192592820 285144410 /nfs/dbraw/zinc/14/44/10/285144410.db2.gz OWNBYOUHQNIIHB-CYBMUJFWSA-N 0 3 250.298 1.944 20 5 CDBDHN CC(C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000106910445 390561571 /nfs/dbraw/zinc/56/15/71/390561571.db2.gz RKRIEQIJSMHKCM-CQSZACIVSA-N 0 3 293.367 1.840 20 5 CDBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000517084993 390968321 /nfs/dbraw/zinc/96/83/21/390968321.db2.gz KHIUOUFWZSTJTO-LLVKDONJSA-N 0 3 294.355 1.395 20 5 CDBDHN COCC[C@@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440485165 391394872 /nfs/dbraw/zinc/39/48/72/391394872.db2.gz HYMYTEJFLLCHMQ-VXGBXAGGSA-N 0 3 294.355 1.901 20 5 CDBDHN Cc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525292887 392926206 /nfs/dbraw/zinc/92/62/06/392926206.db2.gz RFJCJPNMBZLFDG-LLVKDONJSA-N 0 3 291.351 1.975 20 5 CDBDHN Cc1c(CC(=O)N2CCN[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000423622902 392966177 /nfs/dbraw/zinc/96/61/77/392966177.db2.gz ZQHIYMANGSLCDJ-NWDGAFQWSA-N 0 3 291.351 1.655 20 5 CDBDHN COc1cc(CNC[C@H](C)N(C)C)c([N+](=O)[O-])cc1OC ZINC000449555864 393134395 /nfs/dbraw/zinc/13/43/95/393134395.db2.gz JUTGQFGHNJBPMR-JTQLQIEISA-N 0 3 297.355 1.652 20 5 CDBDHN CNC(=O)C[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449602541 393135333 /nfs/dbraw/zinc/13/53/33/393135333.db2.gz PBZSRJXHJLTWPU-JPVGGKMYSA-N 0 3 277.324 1.722 20 5 CDBDHN C[C@@H](Cn1cc(Cl)cc([N+](=O)[O-])c1=O)N(C)C ZINC000331069047 393145482 /nfs/dbraw/zinc/14/54/82/393145482.db2.gz BGPIENNMCFGCNJ-ZETCQYMHSA-N 0 3 259.693 1.360 20 5 CDBDHN CCC[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856889 140219887 /nfs/dbraw/zinc/21/98/87/140219887.db2.gz NPXHHTPMZGGGFR-NSHDSACASA-N 0 3 265.313 1.647 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C)CC[C@H]1C ZINC000360903021 397901280 /nfs/dbraw/zinc/90/12/80/397901280.db2.gz AUECSSFOEVOHMK-SNVBAGLBSA-N 0 3 281.360 1.650 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343429982 152172195 /nfs/dbraw/zinc/17/21/95/152172195.db2.gz IAEXELWHMKPKLK-RISCZKNCSA-N 0 3 291.351 1.736 20 5 CDBDHN CCN1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000045906710 175386119 /nfs/dbraw/zinc/38/61/19/175386119.db2.gz DJZNNBJPCDZVTG-UHFFFAOYSA-N 0 3 281.312 1.744 20 5 CDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000286477456 274612331 /nfs/dbraw/zinc/61/23/31/274612331.db2.gz WHQNVIDVFNAYSU-VHSXEESVSA-N 0 3 292.343 1.030 20 5 CDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000286246832 274639289 /nfs/dbraw/zinc/63/92/89/274639289.db2.gz BZZZGXPNLIKEGM-JQWIXIFHSA-N 0 3 277.328 1.448 20 5 CDBDHN CN1CC[C@@H](Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)C1 ZINC000487867302 277135316 /nfs/dbraw/zinc/13/53/16/277135316.db2.gz DJGVRNYZCWLSRR-LLVKDONJSA-N 0 3 287.319 1.861 20 5 CDBDHN CN1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000190337093 277158405 /nfs/dbraw/zinc/15/84/05/277158405.db2.gz AZHGJHIJSSFLIN-NXEZZACHSA-N 0 3 282.369 1.972 20 5 CDBDHN CN(C)C(=O)C(C)(C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000114458089 279338523 /nfs/dbraw/zinc/33/85/23/279338523.db2.gz SWOCTGXHTOMWON-UHFFFAOYSA-N 0 3 295.339 1.430 20 5 CDBDHN C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248956674 280397765 /nfs/dbraw/zinc/39/77/65/280397765.db2.gz QIYFIGWYJIMCSQ-FZMZJTMJSA-N 0 3 280.324 1.676 20 5 CDBDHN CNc1ccc(C(=O)N2CCN[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000579241566 324138527 /nfs/dbraw/zinc/13/85/27/324138527.db2.gz CJEIBQNBVZZTQB-NXEZZACHSA-N 0 3 292.339 1.459 20 5 CDBDHN COC[C@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245438760 522600552 /nfs/dbraw/zinc/60/05/52/522600552.db2.gz FMGHKPPUDMGZHS-WDEREUQCSA-N 0 3 280.328 1.511 20 5 CDBDHN CCN(CC)CCOC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000772238994 575674875 /nfs/dbraw/zinc/67/48/75/575674875.db2.gz NUOPFPANCQSJOU-UHFFFAOYSA-N 0 3 282.300 1.071 20 5 CDBDHN O=C(CN[C@H](CCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000763067139 576707889 /nfs/dbraw/zinc/70/78/89/576707889.db2.gz OWTOXJHWLNORAP-LLVKDONJSA-N 0 3 293.323 1.284 20 5 CDBDHN C[C@@H](N[C@H](CO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763071530 576709007 /nfs/dbraw/zinc/70/90/07/576709007.db2.gz SAXRRBDOOKURJV-NOZJJQNGSA-N 0 3 293.323 1.282 20 5 CDBDHN Cc1nc(C(C)C)ncc1C(=O)OCC(C)[N+](=O)[O-] ZINC000893044048 618091554 /nfs/dbraw/zinc/09/15/54/618091554.db2.gz FHTZTQZECHLASQ-MRVPVSSYSA-N 0 3 267.285 1.730 20 5 CDBDHN COc1c(O)ccc(CN[C@@H]2COC[C@H]2C)c1[N+](=O)[O-] ZINC000896733873 620216872 /nfs/dbraw/zinc/21/68/72/620216872.db2.gz SRPCRIYXCDTRSS-PSASIEDQSA-N 0 3 282.296 1.434 20 5 CDBDHN COc1ccc(CCNCC[N+](=O)[O-])c(OC)c1OC ZINC000905086203 626603146 /nfs/dbraw/zinc/60/31/46/626603146.db2.gz BIQMGFZHUFTZTD-UHFFFAOYSA-N 0 3 284.312 1.121 20 5 CDBDHN CC(C)[C@@H](CNCC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905121687 626632445 /nfs/dbraw/zinc/63/24/45/626632445.db2.gz FMJAUYHSKHGKKK-SNVBAGLBSA-N 0 3 275.349 1.402 20 5 CDBDHN O=[N+]([O-])CCNC1CC(OCc2ccccc2)C1 ZINC000905215259 626695835 /nfs/dbraw/zinc/69/58/35/626695835.db2.gz MKVVXNTZLBNTLP-UHFFFAOYSA-N 0 3 250.298 1.601 20 5 CDBDHN COc1ccc(C[C@@H](C)N2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170330336 1162338602 /nfs/dbraw/zinc/33/86/02/1162338602.db2.gz ZKNSPPVXKZEQEO-FIXISWKDSA-N 0 3 294.351 1.847 20 5 CDBDHN Cc1cnc(N[C@@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170571051 1162958838 /nfs/dbraw/zinc/95/88/38/1162958838.db2.gz XUSVOQBVVBCXRQ-GXSJLCMTSA-N 0 3 266.301 1.087 20 5 CDBDHN C[C@@H]1NC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000401230689 1186408287 /nfs/dbraw/zinc/40/82/87/1186408287.db2.gz MZIPRHIRJHKTAX-CIUDSAMLSA-N 0 3 283.353 1.867 20 5 CDBDHN CN1CCC[C@@H]1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000917783289 729364885 /nfs/dbraw/zinc/36/48/85/729364885.db2.gz ASQGUNFSDYTJGB-SSDOTTSWSA-N 0 3 269.330 1.153 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)O1 ZINC000852037796 728952825 /nfs/dbraw/zinc/95/28/25/728952825.db2.gz ANOAPEWVOBOZNS-GFCCVEGCSA-N 0 3 278.308 1.775 20 5 CDBDHN CC(COC(=O)c1c[nH]nc1C(C)(C)C)[N+](=O)[O-] ZINC000816091864 728573882 /nfs/dbraw/zinc/57/38/82/728573882.db2.gz LMPGYZYKXFEBPH-ZETCQYMHSA-N 0 3 255.274 1.529 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CN[C@H](CO)C1CC1)OCCO2 ZINC000883002788 728591511 /nfs/dbraw/zinc/59/15/11/728591511.db2.gz OUMGBJRUNYHQRF-LLVKDONJSA-N 0 3 294.307 1.227 20 5 CDBDHN Cc1nn(C)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813107313 729050388 /nfs/dbraw/zinc/05/03/88/729050388.db2.gz PCIFWJXXZOPRQY-ZCFIWIBFSA-N 0 3 283.309 1.765 20 5 CDBDHN COc1ccc2[nH]cc(CC(=O)OCC(C)[N+](=O)[O-])c2c1 ZINC000813109342 729362266 /nfs/dbraw/zinc/36/22/66/729362266.db2.gz IQZTVOCOFVTKLP-VIFPVBQESA-N 0 3 292.291 1.927 20 5 CDBDHN CC(C)COC[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000050015736 729366977 /nfs/dbraw/zinc/36/69/77/729366977.db2.gz FDLXJQVYFYIAOJ-CYBMUJFWSA-N 0 3 282.340 1.718 20 5 CDBDHN COCCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275121 729379293 /nfs/dbraw/zinc/37/92/93/729379293.db2.gz GIBXWRFUOPNVLT-LBPRGKRZSA-N 0 3 254.286 1.206 20 5 CDBDHN Cc1c(Cl)c(C(=O)OCC(C)[N+](=O)[O-])nn1C ZINC000817739227 729462564 /nfs/dbraw/zinc/46/25/64/729462564.db2.gz IMIYMFXIMWTVBP-RXMQYKEDSA-N 0 3 261.665 1.204 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000794578319 729476836 /nfs/dbraw/zinc/47/68/36/729476836.db2.gz YBSSDGPPTLFJAU-CMPLNLGQSA-N 0 3 295.314 1.738 20 5 CDBDHN CN(C)C1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000119613962 729589906 /nfs/dbraw/zinc/58/99/06/729589906.db2.gz MZTLGYUBARXEMO-UHFFFAOYSA-N 0 3 277.324 1.695 20 5 CDBDHN CN1CC[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 ZINC000828987444 729707374 /nfs/dbraw/zinc/70/73/74/729707374.db2.gz DPWKRTKROWGBOG-SKDRFNHKSA-N 0 3 265.288 1.874 20 5 CDBDHN CC(COC(=O)c1cccc(-c2cnn(C)c2)c1)[N+](=O)[O-] ZINC000813102345 729804687 /nfs/dbraw/zinc/80/46/87/729804687.db2.gz PWAYEUVLRAQSRU-SNVBAGLBSA-N 0 3 289.291 1.909 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000884173477 729980198 /nfs/dbraw/zinc/98/01/98/729980198.db2.gz XDGNOBBSSLOUGL-LBPRGKRZSA-N 0 3 297.742 1.992 20 5 CDBDHN CO[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581269 729981174 /nfs/dbraw/zinc/98/11/74/729981174.db2.gz GIAJPMIESNXSQR-ZIAGYGMSSA-N 0 3 280.324 1.739 20 5 CDBDHN CC(COC(=O)C1SCCCS1)[N+](=O)[O-] ZINC000842363321 730397695 /nfs/dbraw/zinc/39/76/95/730397695.db2.gz FULDZFCFCPSONF-LURJTMIESA-N 0 3 251.329 1.391 20 5 CDBDHN CC(COC(=O)c1cnn(CC2CC2)c1)[N+](=O)[O-] ZINC000870376695 730408658 /nfs/dbraw/zinc/40/86/58/730408658.db2.gz KXOOZMXQSWUXBB-MRVPVSSYSA-N 0 3 253.258 1.115 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1OC1CCN(C)CC1 ZINC001226761920 905580418 /nfs/dbraw/zinc/58/04/18/905580418.db2.gz NWKVXHWUIGPIIR-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN CC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001127846123 918749956 /nfs/dbraw/zinc/74/99/56/918749956.db2.gz YAUJQZOUWNMLFU-UHFFFAOYSA-N 0 3 277.324 1.601 20 5 CDBDHN O=C(CCCF)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001164065080 924557420 /nfs/dbraw/zinc/55/74/20/924557420.db2.gz YZUQDVULDWVDND-UHFFFAOYSA-N 0 3 297.330 1.940 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](CO)C2)cc1 ZINC000776272274 926531860 /nfs/dbraw/zinc/53/18/60/926531860.db2.gz SJMHCOUJQDWWAP-SMDDNHRTSA-N 0 3 280.324 1.333 20 5 CDBDHN NCc1ccc2c(n1)N([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001168979254 927569242 /nfs/dbraw/zinc/56/92/42/927569242.db2.gz XVJONHHWGNNROZ-FZMZJTMJSA-N 0 3 290.367 1.738 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NC2(c3cnccn3)CC2)C1 ZINC001168997975 927603359 /nfs/dbraw/zinc/60/33/59/927603359.db2.gz GXKMEADAOMFKAY-GHMZBOCLSA-N 0 3 262.313 1.501 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3cccnc3)CC2)C1 ZINC001169011093 927617941 /nfs/dbraw/zinc/61/79/41/927617941.db2.gz IGRFTIADUFBNGU-UONOGXRCSA-N 0 3 290.367 1.649 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3cccnn3)CC2)C1 ZINC001169033987 927640500 /nfs/dbraw/zinc/64/05/00/927640500.db2.gz DWLSSBNPWUHVIP-STQMWFEESA-N 0 3 291.355 1.044 20 5 CDBDHN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035788 927644190 /nfs/dbraw/zinc/64/41/90/927644190.db2.gz CHTKHZXAXONUSS-LOWDOPEQSA-N 0 3 286.372 1.951 20 5 CDBDHN CCCNC(=O)[C@@H]1CCCCN1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169026520 927665775 /nfs/dbraw/zinc/66/57/75/927665775.db2.gz LYJSBNKOXXHGII-MCIONIFRSA-N 0 3 297.399 1.813 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ccc([N+](=O)[O-])c3c2CNC3=O)n1 ZINC001169234825 927851917 /nfs/dbraw/zinc/85/19/17/927851917.db2.gz KRJCUNMCVXVIBQ-SSDOTTSWSA-N 0 3 287.279 1.044 20 5 CDBDHN Cc1nc(N[C@H](C)[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159489619 930270919 /nfs/dbraw/zinc/27/09/19/930270919.db2.gz PVCYOIAUCGGMER-MWLCHTKSSA-N 0 3 266.301 1.087 20 5 CDBDHN O=[N+]([O-])CCN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000930764253 933444867 /nfs/dbraw/zinc/44/48/67/933444867.db2.gz DPWJZRIUNTUAHI-GFCCVEGCSA-N 0 3 254.330 1.544 20 5 CDBDHN CN1CCCC[C@@H]1CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC001120884364 937844958 /nfs/dbraw/zinc/84/49/58/937844958.db2.gz NNIXZZFEMRPFNE-SNVBAGLBSA-N 0 3 290.327 1.534 20 5 CDBDHN COc1cnc(-n2nc(CN)c3ccccc32)c([N+](=O)[O-])c1 ZINC001156855738 938426118 /nfs/dbraw/zinc/42/61/18/938426118.db2.gz OVFFKYNMSUVMOW-UHFFFAOYSA-N 0 3 299.290 1.796 20 5 CDBDHN C[C@@H](N)c1ccn(-c2cnc3ccc([N+](=O)[O-])cc3n2)n1 ZINC001158349262 938612279 /nfs/dbraw/zinc/61/22/79/938612279.db2.gz REQSFDNWDHLJIW-MRVPVSSYSA-N 0 3 284.279 1.743 20 5 CDBDHN COc1nc(C)c([N+](=O)[O-])c(Nc2ccc(CN)nc2)n1 ZINC001160401990 938784533 /nfs/dbraw/zinc/78/45/33/938784533.db2.gz HLRDLYBWKVOHJA-UHFFFAOYSA-N 0 3 290.283 1.299 20 5 CDBDHN CN1CCc2c(-n3cnc(CN)c3)ccc([N+](=O)[O-])c2C1 ZINC001162304234 938976692 /nfs/dbraw/zinc/97/66/92/938976692.db2.gz CFCNCHMRQMRXPG-UHFFFAOYSA-N 0 3 287.323 1.227 20 5 CDBDHN CN(C)CCN(C)c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001163589630 939290431 /nfs/dbraw/zinc/29/04/31/939290431.db2.gz GGYQKQCKOFBUCL-UHFFFAOYSA-N 0 3 294.142 1.689 20 5 CDBDHN Cc1cc(CN)nn1-c1cnc(Cl)cc1[N+](=O)[O-] ZINC001163980530 939369584 /nfs/dbraw/zinc/36/95/84/939369584.db2.gz XYUMSUKLCNOQMZ-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NCC1(CO)CCC1)CNC2 ZINC001164361470 939463611 /nfs/dbraw/zinc/46/36/11/939463611.db2.gz AUYYRAJILQOCOO-UHFFFAOYSA-N 0 3 277.324 1.773 20 5 CDBDHN CC(C)N1CCN(c2ccc([N+](=O)[O-])c(N)n2)C[C@H]1C ZINC001165199832 939523533 /nfs/dbraw/zinc/52/35/33/939523533.db2.gz OOVCFRSJCKKPIK-SNVBAGLBSA-N 0 3 279.344 1.491 20 5 CDBDHN C[N@H+]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667042 941897661 /nfs/dbraw/zinc/89/76/61/941897661.db2.gz ORMNVKXRTHKURM-SECBINFHSA-N 0 3 267.285 1.559 20 5 CDBDHN C[N@@H+]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667042 941897659 /nfs/dbraw/zinc/89/76/59/941897659.db2.gz ORMNVKXRTHKURM-SECBINFHSA-N 0 3 267.285 1.559 20 5 CDBDHN COC(=O)c1cccc(OC2CCN(C)CC2)c1[N+](=O)[O-] ZINC001227895157 942241147 /nfs/dbraw/zinc/24/11/47/942241147.db2.gz UCEOWQHBYXYYLH-UHFFFAOYSA-N 0 3 294.307 1.854 20 5 CDBDHN CCN1CC[C@@H](Oc2cc3n[nH]cc3cc2[N+](=O)[O-])C1 ZINC001230595064 942652026 /nfs/dbraw/zinc/65/20/26/942652026.db2.gz ITHKWFQOJLFSQG-SNVBAGLBSA-N 0 3 276.296 1.944 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](CO)[C@H](O)C1 ZINC001254552257 947520856 /nfs/dbraw/zinc/52/08/56/947520856.db2.gz JNDDNKONRFOAED-OSAQELSMSA-N 0 3 294.351 1.201 20 5 CDBDHN CO[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC001307780090 956440408 /nfs/dbraw/zinc/44/04/08/956440408.db2.gz DNWFKRJTLQZSGM-CMPLNLGQSA-N 0 3 268.317 1.148 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC001308743095 956570583 /nfs/dbraw/zinc/57/05/83/956570583.db2.gz ZHFJSVGRFTYRJY-MWLCHTKSSA-N 0 3 296.323 1.560 20 5 CDBDHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCC[N+](=O)[O-])C12CCC2 ZINC001336837857 960647363 /nfs/dbraw/zinc/64/73/63/960647363.db2.gz BODLZTLDAZWJNU-GHMZBOCLSA-N 0 3 299.371 1.689 20 5 CDBDHN CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001338296173 961734426 /nfs/dbraw/zinc/73/44/26/961734426.db2.gz YGRUDFPLRAVWPJ-ZDUSSCGKSA-N 0 3 277.324 1.809 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC=CCC2)c1 ZINC000611517636 346809210 /nfs/dbraw/zinc/80/92/10/346809210.db2.gz ZUABYRBKLLZZLZ-ZDUSSCGKSA-N 0 3 278.308 1.596 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)[C@H]1CCOC1 ZINC000565218824 365605592 /nfs/dbraw/zinc/60/55/92/365605592.db2.gz RULJTNMFJKXJRP-XEGUGMAKSA-N 0 3 292.335 1.569 20 5 CDBDHN C[C@]1(CNCc2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453589163 252328060 /nfs/dbraw/zinc/32/80/60/252328060.db2.gz MORUIKMVKXWNEG-CYBMUJFWSA-N 0 3 263.297 1.353 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710401 342243521 /nfs/dbraw/zinc/24/35/21/342243521.db2.gz OGGMFLOMGZPEMV-WCQYABFASA-N 0 3 279.340 1.542 20 5 CDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000609382506 342263672 /nfs/dbraw/zinc/26/36/72/342263672.db2.gz BULIUTQMKXLKBW-LBPRGKRZSA-N 0 3 289.335 1.809 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000594714956 342946800 /nfs/dbraw/zinc/94/68/00/342946800.db2.gz VAASIEGSDHPPNG-UHTWSYAYSA-N 0 3 280.328 1.027 20 5 CDBDHN C[C@H](O)C[C@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611931593 346910311 /nfs/dbraw/zinc/91/03/11/346910311.db2.gz BGWZDBQYMXGZJT-UWVGGRQHSA-N 0 3 296.323 1.615 20 5 CDBDHN Cc1cc(N(C)CCN2CCCC2)ncc1[N+](=O)[O-] ZINC000074747710 342303770 /nfs/dbraw/zinc/30/37/70/342303770.db2.gz XAVLVUAXTFOWMQ-UHFFFAOYSA-N 0 3 264.329 1.830 20 5 CDBDHN C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1CCO ZINC000595706020 343127431 /nfs/dbraw/zinc/12/74/31/343127431.db2.gz WPCLWWNECZCVKN-VXGBXAGGSA-N 0 3 282.344 1.274 20 5 CDBDHN CCN1C[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330581133 365723171 /nfs/dbraw/zinc/72/31/71/365723171.db2.gz QMXSGWLQFOPAIF-RYUDHWBXSA-N 0 3 281.360 1.206 20 5 CDBDHN CN(C)C[C@H](CO)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000596242346 343284947 /nfs/dbraw/zinc/28/49/47/343284947.db2.gz FAFXERGWRSAPMY-SNVBAGLBSA-N 0 3 290.323 1.477 20 5 CDBDHN C[N@@H+]1CCC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000596170206 343258590 /nfs/dbraw/zinc/25/85/90/343258590.db2.gz XYTXTHKKQFDEOK-QWRGUYRKSA-N 0 3 292.339 1.616 20 5 CDBDHN C[N@H+]1CCC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000596170206 343258593 /nfs/dbraw/zinc/25/85/93/343258593.db2.gz XYTXTHKKQFDEOK-QWRGUYRKSA-N 0 3 292.339 1.616 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598342584 343770938 /nfs/dbraw/zinc/77/09/38/343770938.db2.gz LKIJVWFVWIBRQI-LLVKDONJSA-N 0 3 277.324 1.809 20 5 CDBDHN COc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000402056328 344158359 /nfs/dbraw/zinc/15/83/59/344158359.db2.gz RLLKDIODHXRWPV-KOLCDFICSA-N 0 3 266.297 1.870 20 5 CDBDHN Cn1cc(CN[C@@H](CCO)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602804505 344592856 /nfs/dbraw/zinc/59/28/56/344592856.db2.gz IQGBPUDMGGZSBU-JTQLQIEISA-N 0 3 270.333 1.215 20 5 CDBDHN CC[C@](C)(N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224607 344738238 /nfs/dbraw/zinc/73/82/38/344738238.db2.gz SFANLWPOMXGWKO-ZDUSSCGKSA-N 0 3 293.302 1.958 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CCN(C)C)nn1 ZINC000603213584 344744819 /nfs/dbraw/zinc/74/48/19/344744819.db2.gz DCRRMINTTAZANG-NSHDSACASA-N 0 3 289.339 1.900 20 5 CDBDHN CCN1CCN(CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000603850041 344840301 /nfs/dbraw/zinc/84/03/01/344840301.db2.gz YMWSVGDUVGCCSC-UHFFFAOYSA-N 0 3 279.344 1.039 20 5 CDBDHN CCN(C)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293228431 362541451 /nfs/dbraw/zinc/54/14/51/362541451.db2.gz AQGXWWRTVFRDKB-SNVBAGLBSA-N 0 3 266.345 1.779 20 5 CDBDHN Cc1nn(C)c(N[C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000609631208 345983849 /nfs/dbraw/zinc/98/38/49/345983849.db2.gz OSKMRBVKTAAAPV-LLVKDONJSA-N 0 3 279.344 1.533 20 5 CDBDHN COCCNCC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001579045572 1172087116 /nfs/dbraw/zinc/08/71/16/1172087116.db2.gz VEJSNTMWXJYKOU-SNVBAGLBSA-N 0 3 281.312 1.008 20 5 CDBDHN CN(CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000066924467 347546886 /nfs/dbraw/zinc/54/68/86/347546886.db2.gz WIDZCOFURHBZIT-UHFFFAOYSA-N 0 3 293.323 1.184 20 5 CDBDHN O=[N+]([O-])c1ccc(NCCCN2CCC(O)CC2)c(F)c1 ZINC000060378715 348888115 /nfs/dbraw/zinc/88/81/15/348888115.db2.gz FEZFYJWOJQGBMA-UHFFFAOYSA-N 0 3 297.330 1.993 20 5 CDBDHN CCCN(C)CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000063761981 348932087 /nfs/dbraw/zinc/93/20/87/348932087.db2.gz HJOJGQOXDKNCEG-UHFFFAOYSA-N 0 3 294.355 1.465 20 5 CDBDHN COc1ccc(CNC[C@@H]2CN(C)CCO2)cc1[N+](=O)[O-] ZINC000105932523 186091725 /nfs/dbraw/zinc/09/17/25/186091725.db2.gz FJJMBENUKQAFAL-GFCCVEGCSA-N 0 3 295.339 1.024 20 5 CDBDHN CCC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000037029649 363315859 /nfs/dbraw/zinc/31/58/59/363315859.db2.gz IRDVXUXISOWSRG-JTQLQIEISA-N 0 3 251.286 1.969 20 5 CDBDHN CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1N(C)C ZINC000271839959 191360775 /nfs/dbraw/zinc/36/07/75/191360775.db2.gz UEHFZXPPRWDUGH-NXEZZACHSA-N 0 3 298.368 1.041 20 5 CDBDHN CN1CCN(CCCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286179001 356227108 /nfs/dbraw/zinc/22/71/08/356227108.db2.gz QBTYYANWKLGANF-UHFFFAOYSA-N 0 3 296.346 1.783 20 5 CDBDHN N[C@H](CC(F)F)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000336809601 356273847 /nfs/dbraw/zinc/27/38/47/356273847.db2.gz FVYMLYXYVUBKFB-SECBINFHSA-N 0 3 273.239 1.194 20 5 CDBDHN CCN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000286268381 356240103 /nfs/dbraw/zinc/24/01/03/356240103.db2.gz BHMVKQFJSHETLN-DOMZBBRYSA-N 0 3 293.367 1.654 20 5 CDBDHN CC[C@@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000229935106 356322068 /nfs/dbraw/zinc/32/20/68/356322068.db2.gz YJPWMBJBNADVGL-LLVKDONJSA-N 0 3 275.312 1.953 20 5 CDBDHN C[C@H](Nc1ncc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000273714809 192275732 /nfs/dbraw/zinc/27/57/32/192275732.db2.gz FURAZZGSACLHPO-VIFPVBQESA-N 0 3 263.301 1.447 20 5 CDBDHN CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866327 357112220 /nfs/dbraw/zinc/11/22/20/357112220.db2.gz RHQKPMHUIIVXKU-JTQLQIEISA-N 0 3 250.302 1.886 20 5 CDBDHN CN(C[C@@H](O)COc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000290514162 357210387 /nfs/dbraw/zinc/21/03/87/357210387.db2.gz BSWYXNAXIJBTJT-LLVKDONJSA-N 0 3 284.287 1.568 20 5 CDBDHN CC(C)(CC(N)=O)NCc1ccccc1[N+](=O)[O-] ZINC000186226300 357626842 /nfs/dbraw/zinc/62/68/42/357626842.db2.gz JAORTUQFIDUVFJ-UHFFFAOYSA-N 0 3 251.286 1.338 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@H]2CC[C@H](O)C2)cs1 ZINC000188816028 357940718 /nfs/dbraw/zinc/94/07/18/357940718.db2.gz IIYPIHWPNOQMCF-WPRPVWTQSA-N 0 3 256.327 1.907 20 5 CDBDHN Cc1cc(C(=O)N[C@@H](C)CN(C)C)c(N)c([N+](=O)[O-])c1 ZINC000286947532 358046206 /nfs/dbraw/zinc/04/62/06/358046206.db2.gz KJUBGQVLQHEORG-VIFPVBQESA-N 0 3 280.328 1.165 20 5 CDBDHN CN(CCN1CCCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000361290743 358149589 /nfs/dbraw/zinc/14/95/89/358149589.db2.gz UAONZKPXFYXVQS-UHFFFAOYSA-N 0 3 293.367 1.749 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000247445975 358330781 /nfs/dbraw/zinc/33/07/81/358330781.db2.gz PUBGRRJEDKIZLK-NXEZZACHSA-N 0 3 281.312 1.600 20 5 CDBDHN C[C@H]1CCNC(=O)[C@@H]1NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000193700289 358317730 /nfs/dbraw/zinc/31/77/30/358317730.db2.gz JWEWPGKSIVWPNH-ICCMNZRJSA-N 0 3 289.335 1.722 20 5 CDBDHN CC[C@@H](CO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000436410645 358426603 /nfs/dbraw/zinc/42/66/03/358426603.db2.gz LFFZEWYSKNUQGP-HWPRWLFBSA-N 0 3 250.298 1.969 20 5 CDBDHN CC[C@@H](C)N(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000287427042 358581784 /nfs/dbraw/zinc/58/17/84/358581784.db2.gz PHEQHMGNAMQORD-BXUZGUMPSA-N 0 3 282.340 1.721 20 5 CDBDHN COCC[C@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567123909 358630763 /nfs/dbraw/zinc/63/07/63/358630763.db2.gz VFFMKBSZMZQUOA-ZWNOBZJWSA-N 0 3 280.324 1.569 20 5 CDBDHN CCCN1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000049558046 359361855 /nfs/dbraw/zinc/36/18/55/359361855.db2.gz MLHRVMSVYFESMC-UHFFFAOYSA-N 0 3 265.317 1.671 20 5 CDBDHN C[C@H](CO)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289491379 359583395 /nfs/dbraw/zinc/58/33/95/359583395.db2.gz RTOZNFQEENFOJP-OKPNEXGHSA-N 0 3 250.298 1.921 20 5 CDBDHN NC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000296976627 200051575 /nfs/dbraw/zinc/05/15/75/200051575.db2.gz VAXJZYUEPDIJBA-UHFFFAOYSA-N 0 3 291.351 1.915 20 5 CDBDHN CC1(C)[C@H](NCCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000514795735 360233528 /nfs/dbraw/zinc/23/35/28/360233528.db2.gz CXCBOLVMPRDZGU-OLZOCXBDSA-N 0 3 280.324 1.723 20 5 CDBDHN C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN1 ZINC000235661574 360237512 /nfs/dbraw/zinc/23/75/12/360237512.db2.gz VNQGPGHHTPCDOR-ZETCQYMHSA-N 0 3 290.245 1.807 20 5 CDBDHN CC(C)(C)[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000178869239 189151501 /nfs/dbraw/zinc/15/15/01/189151501.db2.gz GARGQAGSIITDBI-VXGBXAGGSA-N 0 3 295.339 1.118 20 5 CDBDHN Cc1ccc(CN[C@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000168212479 364117920 /nfs/dbraw/zinc/11/79/20/364117920.db2.gz LJKLIDKQMPGHNV-MLCYQJTMSA-N 0 3 270.354 1.760 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000249561561 364889034 /nfs/dbraw/zinc/88/90/34/364889034.db2.gz LTADVVNXZNBPPC-BXUZGUMPSA-N 0 3 280.324 1.676 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@@H](N2CCCC2)C1 ZINC000344592933 365038768 /nfs/dbraw/zinc/03/87/68/365038768.db2.gz PXFRSCUTJOOOFN-LLVKDONJSA-N 0 3 292.339 1.623 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCC(O)CC1 ZINC000353504134 365262875 /nfs/dbraw/zinc/26/28/75/365262875.db2.gz QDSYZPWEKIIYNR-UHFFFAOYSA-N 0 3 280.324 1.997 20 5 CDBDHN CN(C)CCO[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000352054068 367680944 /nfs/dbraw/zinc/68/09/44/367680944.db2.gz YVLJYMKPWKHZIR-LBPRGKRZSA-N 0 3 279.340 1.752 20 5 CDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177016 367846565 /nfs/dbraw/zinc/84/65/65/367846565.db2.gz ISQZXKIEJCULGQ-ZYHUDNBSSA-N 0 3 292.339 1.479 20 5 CDBDHN CC(=O)c1cc(NCCN(C)C)ccc1[N+](=O)[O-] ZINC000287007377 369059084 /nfs/dbraw/zinc/05/90/84/369059084.db2.gz PHNZMXIJLUHUKT-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1ncccc1[N+](=O)[O-] ZINC000420645048 244308389 /nfs/dbraw/zinc/30/83/89/244308389.db2.gz ZSXAQKBFPIQTEF-SNVBAGLBSA-N 0 3 250.302 1.520 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)C[C@H]1CCCN1C ZINC000420635829 244300958 /nfs/dbraw/zinc/30/09/58/244300958.db2.gz MLDYAEHNXUTGCM-LLVKDONJSA-N 0 3 281.360 1.650 20 5 CDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1 ZINC000037668445 369783857 /nfs/dbraw/zinc/78/38/57/369783857.db2.gz JRSYRVCTAQNRAB-LBPRGKRZSA-N 0 3 263.297 1.353 20 5 CDBDHN CCCN[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000295748626 370619316 /nfs/dbraw/zinc/61/93/16/370619316.db2.gz PIXAVGFQXVEUKO-JTQLQIEISA-N 0 3 277.324 1.872 20 5 CDBDHN Cc1cccc(C(=O)NC[C@@H]2C[C@H](F)CN2)c1[N+](=O)[O-] ZINC000368194194 371854526 /nfs/dbraw/zinc/85/45/26/371854526.db2.gz PJXKAGNXTFNBBV-UWVGGRQHSA-N 0 3 281.287 1.333 20 5 CDBDHN CC[C@@H](NC(=O)[C@H](C)N)c1cccc([N+](=O)[O-])c1 ZINC000120793647 372798841 /nfs/dbraw/zinc/79/88/41/372798841.db2.gz YOIPJLDTHUJIGV-GZMMTYOYSA-N 0 3 251.286 1.509 20 5 CDBDHN O=C(C[C@@H]1CSCCN1)NCc1ccccc1[N+](=O)[O-] ZINC000091290831 373886367 /nfs/dbraw/zinc/88/63/67/373886367.db2.gz HWEBGIXQBIHIJB-LLVKDONJSA-N 0 3 295.364 1.306 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC[C@H]1N(C)CCCC1(C)C ZINC000447818777 374715214 /nfs/dbraw/zinc/71/52/14/374715214.db2.gz YSCVESGFYNFAFB-SNVBAGLBSA-N 0 3 281.360 1.861 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)[C@H]1CCCO1 ZINC000447968991 374727868 /nfs/dbraw/zinc/72/78/68/374727868.db2.gz TYPHAWFYKGZQFZ-ZIAGYGMSSA-N 0 3 280.324 1.533 20 5 CDBDHN CNC(=O)[C@H](C)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449340394 374802269 /nfs/dbraw/zinc/80/22/69/374802269.db2.gz OJGCRCMUNHNTOO-ZJUUUORDSA-N 0 3 265.313 1.250 20 5 CDBDHN CC(C)OC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282479510 375088752 /nfs/dbraw/zinc/08/87/52/375088752.db2.gz OOSFFUBUUWBFHD-HNNXBMFYSA-N 0 3 296.367 1.855 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283852087 375125434 /nfs/dbraw/zinc/12/54/34/375125434.db2.gz HBPLDRISCSYWOC-MRVPVSSYSA-N 0 3 296.302 1.140 20 5 CDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCNCC1 ZINC000237812299 375591930 /nfs/dbraw/zinc/59/19/30/375591930.db2.gz XGWISHOPHDTBTO-UHFFFAOYSA-N 0 3 297.742 1.613 20 5 CDBDHN C[C@@H](NC[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150279 375559507 /nfs/dbraw/zinc/55/95/07/375559507.db2.gz TWQHZTYIROBAAP-MFKMUULPSA-N 0 3 267.329 1.168 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@]3(CCOC3)C2)c1 ZINC000305166784 375562467 /nfs/dbraw/zinc/56/24/67/375562467.db2.gz HWZIAXUXUGYZPZ-GJZGRUSLSA-N 0 3 292.335 1.741 20 5 CDBDHN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCN(C2CC2)C1 ZINC000058148665 375669274 /nfs/dbraw/zinc/66/92/74/375669274.db2.gz IJJUZPLTYTVVBE-GFCCVEGCSA-N 0 3 289.335 1.490 20 5 CDBDHN Cc1ccc(NCCCNC(=O)[C@H](C)N)c([N+](=O)[O-])c1 ZINC000161541313 376923798 /nfs/dbraw/zinc/92/37/98/376923798.db2.gz MWIYEFULFPAAKT-JTQLQIEISA-N 0 3 280.328 1.169 20 5 CDBDHN Cc1ccc(NCCCN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000269973680 377829936 /nfs/dbraw/zinc/82/99/36/377829936.db2.gz YGUVIHOCQJBZHR-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@]1(CCO)CCOC1 ZINC000447079469 250339712 /nfs/dbraw/zinc/33/97/12/250339712.db2.gz VXNOVAYVAQCIJY-UYWPIULCSA-N 0 3 292.335 1.739 20 5 CDBDHN CN(C)[C@@]1(CNc2c([N+](=O)[O-])ncn2C)CCSC1 ZINC000267119415 190304842 /nfs/dbraw/zinc/30/48/42/190304842.db2.gz SYBPXBJEVSPCHR-LLVKDONJSA-N 0 3 285.373 1.178 20 5 CDBDHN CO[C@@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000451631529 390638410 /nfs/dbraw/zinc/63/84/10/390638410.db2.gz MCVYZJNWEGDQLD-DGCLKSJQSA-N 0 3 293.323 1.351 20 5 CDBDHN COC[C@@](C)(O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517173219 390968516 /nfs/dbraw/zinc/96/85/16/390968516.db2.gz RUKNARDETJHNAQ-OCCSQVGLSA-N 0 3 280.324 1.569 20 5 CDBDHN Cc1cnc(N2CC[C@@H]3CCN(C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000272255900 390969350 /nfs/dbraw/zinc/96/93/50/390969350.db2.gz ZEWGPTDUEZJBEF-AAEUAGOBSA-N 0 3 276.340 1.829 20 5 CDBDHN COC(=O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464705 533429162 /nfs/dbraw/zinc/42/91/62/533429162.db2.gz IEYDUCSZKKNMMR-JTQLQIEISA-N 0 3 294.311 1.039 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(CCN(C)C2)C1 ZINC000366130734 391342402 /nfs/dbraw/zinc/34/24/02/391342402.db2.gz AFMIYWZFGLTHLF-CQSZACIVSA-N 0 3 276.340 1.830 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CN(C)C ZINC000411099741 391387551 /nfs/dbraw/zinc/38/75/51/391387551.db2.gz MNIBWXGDZHJXQY-UHFFFAOYSA-N 0 3 295.339 1.673 20 5 CDBDHN CCN(C)CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341800602 130038414 /nfs/dbraw/zinc/03/84/14/130038414.db2.gz RIPBYZSYKCTHLD-UHFFFAOYSA-N 0 3 266.301 1.057 20 5 CDBDHN CCC[C@@H](C)[C@H](CO)NCc1c([N+](=O)[O-])ncn1C ZINC000574210239 391876989 /nfs/dbraw/zinc/87/69/89/391876989.db2.gz PLQCQIQCBTVTFL-ZJUUUORDSA-N 0 3 270.333 1.215 20 5 CDBDHN CN1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000523435401 392887562 /nfs/dbraw/zinc/88/75/62/392887562.db2.gz ZAFCAPHSSFSVRF-UHFFFAOYSA-N 0 3 292.339 1.442 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](CCO)CC2)c1 ZINC000421008617 392926261 /nfs/dbraw/zinc/92/62/61/392926261.db2.gz DLQBCSFKZCKCDP-GFCCVEGCSA-N 0 3 282.344 1.276 20 5 CDBDHN Cc1nc(N(C)C[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000420636320 392920952 /nfs/dbraw/zinc/92/09/52/392920952.db2.gz NAZXOKKVXOAHEV-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN COc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1[N+](=O)[O-] ZINC000269054641 132104079 /nfs/dbraw/zinc/10/40/79/132104079.db2.gz VRAXGBZWOHTVDX-NSHDSACASA-N 0 3 293.323 1.362 20 5 CDBDHN CCCc1n[nH]c(C(=O)N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000423711395 392967067 /nfs/dbraw/zinc/96/70/67/392967067.db2.gz RNSDXCBEQDTLEW-UHFFFAOYSA-N 0 3 295.343 1.094 20 5 CDBDHN CCCc1[nH]nc(C(=O)N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000423711395 392967069 /nfs/dbraw/zinc/96/70/69/392967069.db2.gz RNSDXCBEQDTLEW-UHFFFAOYSA-N 0 3 295.343 1.094 20 5 CDBDHN CC(C)[C@@H]1N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000431123638 393107137 /nfs/dbraw/zinc/10/71/37/393107137.db2.gz ZJXDYFABZCFQHZ-OLZOCXBDSA-N 0 3 296.371 1.519 20 5 CDBDHN C[C@H]1NCCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262763069 149111944 /nfs/dbraw/zinc/11/19/44/149111944.db2.gz IULFBGWWZARNJO-MNOVXSKESA-N 0 3 292.339 1.216 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343458068 152187554 /nfs/dbraw/zinc/18/75/54/152187554.db2.gz VWOYUIORVSVVFK-GWCFXTLKSA-N 0 3 277.324 1.807 20 5 CDBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCCN1C ZINC000343509303 152205861 /nfs/dbraw/zinc/20/58/61/152205861.db2.gz HZCMSRRISOFDDD-MWLCHTKSSA-N 0 3 250.302 1.884 20 5 CDBDHN C[C@H](CO)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000284842729 196142718 /nfs/dbraw/zinc/14/27/18/196142718.db2.gz RAYWYSBHFKWTFU-SNVBAGLBSA-N 0 3 254.286 1.286 20 5 CDBDHN C[C@@H](NCCCS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000038047485 174057489 /nfs/dbraw/zinc/05/74/89/174057489.db2.gz JRBRXZXRAZUUOI-SNVBAGLBSA-N 0 3 286.353 1.680 20 5 CDBDHN COC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000071273128 176105222 /nfs/dbraw/zinc/10/52/22/176105222.db2.gz ICBGUHWAWFWHQY-LLVKDONJSA-N 0 3 254.286 1.000 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286724086 424628048 /nfs/dbraw/zinc/62/80/48/424628048.db2.gz JGXRNVHQKMWROJ-CPCISQLKSA-N 0 3 291.311 1.783 20 5 CDBDHN CN(C)C1CN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450412701 273793064 /nfs/dbraw/zinc/79/30/64/273793064.db2.gz QJMFXYRGPBWHGD-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN Cc1nc(N2CCC[C@@H]2CN2CCCC2)ncc1[N+](=O)[O-] ZINC000450455878 274840978 /nfs/dbraw/zinc/84/09/78/274840978.db2.gz OWAGLDYZYJFCQG-GFCCVEGCSA-N 0 3 291.355 1.758 20 5 CDBDHN Cc1nc(NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000161509148 274844152 /nfs/dbraw/zinc/84/41/52/274844152.db2.gz DYHRKDVJEFXXEC-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN CN1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])s3)C2)C1 ZINC000368299023 277161215 /nfs/dbraw/zinc/16/12/15/277161215.db2.gz LQTLYZXONBQYBL-LLVKDONJSA-N 0 3 268.342 1.583 20 5 CDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1N(C)C ZINC000337027100 278157946 /nfs/dbraw/zinc/15/79/46/278157946.db2.gz WCZLUDDZXYWQEF-JGVFFNPUSA-N 0 3 288.398 1.533 20 5 CDBDHN C[C@@H](CN(C)C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000167254697 278240157 /nfs/dbraw/zinc/24/01/57/278240157.db2.gz KIEPOCVNMIFFGV-VIFPVBQESA-N 0 3 292.339 1.842 20 5 CDBDHN C[C@H]1[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCCN1C ZINC000447684588 280102772 /nfs/dbraw/zinc/10/27/72/280102772.db2.gz BTOPQCNJLSSIRE-ONGXEEELSA-N 0 3 289.339 1.788 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(CCN(C)C3)C2)n1 ZINC000292459396 281014108 /nfs/dbraw/zinc/01/41/08/281014108.db2.gz ZWXCDUPYSCBYQC-AWEZNQCLSA-N 0 3 276.340 1.830 20 5 CDBDHN C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000568770763 294100015 /nfs/dbraw/zinc/10/00/15/294100015.db2.gz PKBDQZNLBFCOIN-NXEZZACHSA-N 0 3 295.343 1.311 20 5 CDBDHN CC(=O)N1CC(N[C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000570862516 294325002 /nfs/dbraw/zinc/32/50/02/294325002.db2.gz HQPGZXHQZYZKBG-LLVKDONJSA-N 0 3 291.351 1.736 20 5 CDBDHN C[C@H](CN1CCOCC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036932635 298646607 /nfs/dbraw/zinc/64/66/07/298646607.db2.gz MGZMLKUGHUUQJC-CHWSQXEVSA-N 0 3 293.367 1.966 20 5 CDBDHN CNC(=O)C(C)(C)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566474368 316608004 /nfs/dbraw/zinc/60/80/04/316608004.db2.gz HAPWBHBWHIZPJE-LBPRGKRZSA-N 0 3 291.351 1.944 20 5 CDBDHN CC(C)(C)N[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000576475899 317146127 /nfs/dbraw/zinc/14/61/27/317146127.db2.gz PKRMRIPRKWFVRO-NSHDSACASA-N 0 3 291.307 1.615 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000067044963 522094563 /nfs/dbraw/zinc/09/45/63/522094563.db2.gz SIJPQXBEWOKSBE-NSHDSACASA-N 0 3 295.314 1.900 20 5 CDBDHN CN1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067725079 523773802 /nfs/dbraw/zinc/77/38/02/523773802.db2.gz RZRJJFJKSLHPNN-UHFFFAOYSA-N 0 3 292.339 1.488 20 5 CDBDHN O=C(Cc1ccccc1[N+](=O)[O-])NCCN1CCCC1 ZINC000052851753 527294674 /nfs/dbraw/zinc/29/46/74/527294674.db2.gz HLJSPHHGCBNHDA-UHFFFAOYSA-N 0 3 277.324 1.349 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3ccco3)C2)n1 ZINC000365832214 527406844 /nfs/dbraw/zinc/40/68/44/527406844.db2.gz BXEHOKKEXKDHLO-NSHDSACASA-N 0 3 276.296 1.874 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1C ZINC000761080662 576544712 /nfs/dbraw/zinc/54/47/12/576544712.db2.gz VCQDYLNMKLOCOV-GFCCVEGCSA-N 0 3 279.340 1.610 20 5 CDBDHN Cc1ccc(C(=O)NOC2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000773548390 575823385 /nfs/dbraw/zinc/82/33/85/575823385.db2.gz WYYLMTUHZNROFW-UHFFFAOYSA-N 0 3 293.323 1.659 20 5 CDBDHN C[C@@H]1CCCN1CCNc1cccnc1[N+](=O)[O-] ZINC000742425961 576602655 /nfs/dbraw/zinc/60/26/55/576602655.db2.gz RKXBRDALRFRZSQ-SNVBAGLBSA-N 0 3 250.302 1.886 20 5 CDBDHN COC[C@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749650090 576956811 /nfs/dbraw/zinc/95/68/11/576956811.db2.gz ZHBBJUZVTHFMLS-JOYOIKCWSA-N 0 3 254.286 1.253 20 5 CDBDHN CC(C)(C)CN(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750068387 576974860 /nfs/dbraw/zinc/97/48/60/576974860.db2.gz VKEDPKZBNHAKLG-AWEZNQCLSA-N 0 3 296.367 1.969 20 5 CDBDHN COc1c(O)ccc(CNCCN2CCC2)c1[N+](=O)[O-] ZINC000893179411 617443251 /nfs/dbraw/zinc/44/32/51/617443251.db2.gz QNNZMAUVVUBQJI-UHFFFAOYSA-N 0 3 281.312 1.104 20 5 CDBDHN COc1c(O)ccc(CNCC(C)(C)OC)c1[N+](=O)[O-] ZINC000893085021 618147642 /nfs/dbraw/zinc/14/76/42/618147642.db2.gz DZNZKGUUAPFJBS-UHFFFAOYSA-N 0 3 284.312 1.824 20 5 CDBDHN COc1cc(OC)cc(OCCCNCC[N+](=O)[O-])c1 ZINC000905162539 626673536 /nfs/dbraw/zinc/67/35/36/626673536.db2.gz XIJWOKWLRZEOOL-UHFFFAOYSA-N 0 3 284.312 1.339 20 5 CDBDHN COc1ccc(C[C@H](C)N[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC001170299148 1162328782 /nfs/dbraw/zinc/32/87/82/1162328782.db2.gz RCPAPLFMLRSANA-JOYOIKCWSA-N 0 3 293.323 1.013 20 5 CDBDHN COc1ccc(C[C@H](C)N2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170336564 1162339178 /nfs/dbraw/zinc/33/91/78/1162339178.db2.gz ZKNSPPVXKZEQEO-PGUXBMHVSA-N 0 3 294.351 1.847 20 5 CDBDHN CCc1nn(C)c(NCCN2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000807988898 1162795568 /nfs/dbraw/zinc/79/55/68/1162795568.db2.gz WRODIAWVJPAUAK-SNVBAGLBSA-N 0 3 281.360 1.787 20 5 CDBDHN C[NH2+]C(C)(C)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609289796 1164882992 /nfs/dbraw/zinc/88/29/92/1164882992.db2.gz UDYAYWMBJMABCH-UHFFFAOYSA-N 0 3 291.315 1.185 20 5 CDBDHN O=C(N[C@@H]1CCNC[C@@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001580616876 1172485871 /nfs/dbraw/zinc/48/58/71/1172485871.db2.gz NISDFBLHEYJMIM-WDEREUQCSA-N 0 3 285.250 1.164 20 5 CDBDHN Nc1cc([N+](=O)[O-])cnc1N1CCN(C2CCCC2)CC1 ZINC001165032596 721859390 /nfs/dbraw/zinc/85/93/90/721859390.db2.gz SHEYDJPYHCEQIK-UHFFFAOYSA-N 0 3 291.355 1.637 20 5 CDBDHN CC(C)C[C@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000933249478 731353322 /nfs/dbraw/zinc/35/33/22/731353322.db2.gz HBUBMNFZOPNCAW-ZDUSSCGKSA-N 0 3 295.387 1.453 20 5 CDBDHN CC(COC(=O)c1csc(-c2cnn(C)c2)n1)[N+](=O)[O-] ZINC000813109987 731652102 /nfs/dbraw/zinc/65/21/02/731652102.db2.gz YDCVGHAHQWKLKH-SSDOTTSWSA-N 0 3 296.308 1.366 20 5 CDBDHN COc1ccc(CNCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000922939696 731656724 /nfs/dbraw/zinc/65/67/24/731656724.db2.gz RZRQLOLNGWIZPP-GFCCVEGCSA-N 0 3 296.323 1.499 20 5 CDBDHN CC(COC(=O)c1ccc(-n2ccnn2)cc1)[N+](=O)[O-] ZINC000813111105 731763309 /nfs/dbraw/zinc/76/33/09/731763309.db2.gz COZSWFCWNLLAMZ-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN CC[S@](=O)CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848532131 732022051 /nfs/dbraw/zinc/02/20/51/732022051.db2.gz ZVLBZXCZAWVZFQ-BLVKFPJESA-N 0 3 282.365 1.940 20 5 CDBDHN CC(COC(=O)c1c[nH]nc1-c1ccsc1)[N+](=O)[O-] ZINC000813106610 732144894 /nfs/dbraw/zinc/14/48/94/732144894.db2.gz FEKLHVBWRHAIFQ-SSDOTTSWSA-N 0 3 281.293 1.960 20 5 CDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000776591233 732539027 /nfs/dbraw/zinc/53/90/27/732539027.db2.gz HUVOHKUZNDQVIW-KBPBESRZSA-N 0 3 280.324 1.331 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813103575 732663835 /nfs/dbraw/zinc/66/38/35/732663835.db2.gz QQZDTOZXOWHAKI-ZETCQYMHSA-N 0 3 284.224 1.425 20 5 CDBDHN CCN1C[C@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886097974 732883963 /nfs/dbraw/zinc/88/39/63/732883963.db2.gz HNDWTHCZYZMFNS-NEPJUHHUSA-N 0 3 278.356 1.904 20 5 CDBDHN COCC[C@H](CO)NCc1ccccc1[N+](=O)[O-] ZINC000305958241 733039471 /nfs/dbraw/zinc/03/94/71/733039471.db2.gz WFIQDZLOVGKPRP-LLVKDONJSA-N 0 3 254.286 1.082 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667623 903647334 /nfs/dbraw/zinc/64/73/34/903647334.db2.gz ULSXREUHUBBECL-MRVPVSSYSA-O 0 3 256.282 1.169 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])n1nncc1CN ZINC001254539700 936406357 /nfs/dbraw/zinc/40/63/57/936406357.db2.gz JTENJSWACMJQBV-VIFPVBQESA-N 0 3 261.285 1.449 20 5 CDBDHN CCOCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001124696516 917573336 /nfs/dbraw/zinc/57/33/36/917573336.db2.gz MIOFQOLVYZPRKL-UHFFFAOYSA-N 0 3 295.339 1.227 20 5 CDBDHN CN1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000081589630 925393472 /nfs/dbraw/zinc/39/34/72/925393472.db2.gz IUEHPMPMJJFZOX-VIFPVBQESA-N 0 3 273.296 1.654 20 5 CDBDHN CC(COC(=O)c1coc(-c2cccnc2)n1)[N+](=O)[O-] ZINC000851036499 927502903 /nfs/dbraw/zinc/50/29/03/927502903.db2.gz JMZVDXFDUYNWHI-MRVPVSSYSA-N 0 3 277.236 1.559 20 5 CDBDHN Cc1nc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)cs1 ZINC001168958875 927579215 /nfs/dbraw/zinc/57/92/15/927579215.db2.gz QTUVEVUXFGJZEW-UWVGGRQHSA-N 0 3 255.343 1.987 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(CCF)CC2)C1 ZINC001169035984 927644333 /nfs/dbraw/zinc/64/43/33/927644333.db2.gz MKBNAMZRUVQFTQ-NWDGAFQWSA-N 0 3 259.325 1.019 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCCCC23COC3)C1 ZINC001169037253 927646630 /nfs/dbraw/zinc/64/66/30/927646630.db2.gz RLWNXAVLEYRTJR-NEPJUHHUSA-N 0 3 254.330 1.687 20 5 CDBDHN C[C@H](N)c1ccn(-c2c(Cl)cncc2[N+](=O)[O-])n1 ZINC001169232528 927844278 /nfs/dbraw/zinc/84/42/78/927844278.db2.gz GRMFZCQOQCMLSU-LURJTMIESA-N 0 3 267.676 1.849 20 5 CDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])n(C2CCOCC2)n1 ZINC000860776252 929199113 /nfs/dbraw/zinc/19/91/13/929199113.db2.gz CWVBEONNXHHVMD-SNVBAGLBSA-N 0 3 297.311 1.365 20 5 CDBDHN COc1cnc(N2C[C@H]3CCCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001157266480 929411963 /nfs/dbraw/zinc/41/19/63/929411963.db2.gz SXJNPVLVEUSCOF-MFKMUULPSA-N 0 3 292.339 1.529 20 5 CDBDHN CN(C)CCONC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820989825 930995270 /nfs/dbraw/zinc/99/52/70/930995270.db2.gz BUWITVRYOLMBBF-STQMWFEESA-N 0 3 293.323 1.308 20 5 CDBDHN NCc1cn(-c2ncnc3cccc([N+](=O)[O-])c32)cn1 ZINC001154910640 937603513 /nfs/dbraw/zinc/60/35/13/937603513.db2.gz LBEGZUHDUZVSCL-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H]3NCCO[C@H]3C2)c(Cl)c1 ZINC001165270172 939537537 /nfs/dbraw/zinc/53/75/37/939537537.db2.gz YQHVEVMILXJVCI-QWRGUYRKSA-N 0 3 298.730 1.210 20 5 CDBDHN O=[N+]([O-])c1ccc(OC2CCN(C3CC3)CC2)cn1 ZINC001226711057 942054016 /nfs/dbraw/zinc/05/40/16/942054016.db2.gz YCZPUSWFFFHJMS-UHFFFAOYSA-N 0 3 263.297 1.995 20 5 CDBDHN CN1CC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226805312 942075378 /nfs/dbraw/zinc/07/53/78/942075378.db2.gz XPTCYRQEDCXFQI-MRVPVSSYSA-N 0 3 292.270 1.760 20 5 CDBDHN Cc1[nH]c(=O)cc(O[C@H]2CN3CCC2CC3)c1[N+](=O)[O-] ZINC001228685409 942357817 /nfs/dbraw/zinc/35/78/17/942357817.db2.gz HIXKGJCTWSSTOH-NSHDSACASA-N 0 3 279.296 1.477 20 5 CDBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC001252637859 951528602 /nfs/dbraw/zinc/52/86/02/951528602.db2.gz JSDBUPQZBHXJMY-UHFFFAOYSA-N 0 3 252.318 1.912 20 5 CDBDHN Cc1cc(NC(=O)[C@@H](N)CC2CC2)cc([N+](=O)[O-])c1 ZINC001356537968 969421481 /nfs/dbraw/zinc/42/14/81/969421481.db2.gz PBTRLABEPRUTMF-LBPRGKRZSA-N 0 3 263.297 1.969 20 5 CDBDHN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001576252234 1171371789 /nfs/dbraw/zinc/37/17/89/1171371789.db2.gz QHPSWQDZMXXWPP-MISXGVKJSA-N 0 3 279.340 1.622 20 5 CDBDHN CN(CCCN1CCN(C)CC1)c1ccsc1[N+](=O)[O-] ZINC000601114977 342471877 /nfs/dbraw/zinc/47/18/77/342471877.db2.gz CWAPUPDWNQEIRK-UHFFFAOYSA-N 0 3 298.412 1.730 20 5 CDBDHN CN(C)CCN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589191902 342499243 /nfs/dbraw/zinc/49/92/43/342499243.db2.gz VNLZTUWXFAIUSN-UHFFFAOYSA-N 0 3 295.339 1.359 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000589101776 342496884 /nfs/dbraw/zinc/49/68/84/342496884.db2.gz KPHHEGZUMKZNCJ-JTQLQIEISA-N 0 3 290.323 1.477 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NCCN1CC[C@H](O)C1 ZINC000599200086 343979848 /nfs/dbraw/zinc/97/98/48/343979848.db2.gz WBYULXRLMWLTTM-LBPRGKRZSA-N 0 3 265.313 1.382 20 5 CDBDHN C[C@H]1[C@@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])CCCN1C ZINC000342834861 361751167 /nfs/dbraw/zinc/75/11/67/361751167.db2.gz LARPUCXNTJGFJV-ONGXEEELSA-N 0 3 292.339 1.588 20 5 CDBDHN O=C1NCCC[C@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000590971824 342612361 /nfs/dbraw/zinc/61/23/61/342612361.db2.gz OHASDIFWITWNAT-RJNRQISESA-N 0 3 289.335 1.724 20 5 CDBDHN C[C@@H](CC[S@](C)=O)NCc1ccccc1[N+](=O)[O-] ZINC000125498372 187187672 /nfs/dbraw/zinc/18/76/72/187187672.db2.gz XMDVWCPTQKOODQ-XTZNXHDOSA-N 0 3 270.354 1.842 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)C(F)F ZINC000594496707 342914036 /nfs/dbraw/zinc/91/40/36/342914036.db2.gz RXOVIHMSSQNKSI-KOLCDFICSA-N 0 3 272.251 1.798 20 5 CDBDHN C[C@@H]1C[C@H](C)CN(CCn2cnc([N+](=O)[O-])n2)C1 ZINC000594885519 342968387 /nfs/dbraw/zinc/96/83/87/342968387.db2.gz GVORJQSVHLIKIR-AOOOYVTPSA-N 0 3 253.306 1.164 20 5 CDBDHN Cc1noc(CN(C)[C@@H]2CCN(C(C)C)C2)c1[N+](=O)[O-] ZINC000595522167 343088517 /nfs/dbraw/zinc/08/85/17/343088517.db2.gz IYDHUWAZMXMONI-LLVKDONJSA-N 0 3 282.344 1.806 20 5 CDBDHN C[C@H](CO)[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000595678074 343129911 /nfs/dbraw/zinc/12/99/11/343129911.db2.gz QFKULKBFIDOATH-NEPJUHHUSA-N 0 3 282.344 1.274 20 5 CDBDHN CC[NH+](CC)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596140198 343241666 /nfs/dbraw/zinc/24/16/66/343241666.db2.gz FCFPEMUZHIGPKS-NSHDSACASA-N 0 3 294.355 1.864 20 5 CDBDHN CC(C)[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCN1C ZINC000596205370 343265151 /nfs/dbraw/zinc/26/51/51/343265151.db2.gz IUWWRGXWLDYBBL-LLVKDONJSA-N 0 3 279.344 1.348 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCN(C(C)(C)C)C1 ZINC000596335161 343298022 /nfs/dbraw/zinc/29/80/22/343298022.db2.gz GGAOUOWHSVYAHK-VIFPVBQESA-N 0 3 267.333 1.613 20 5 CDBDHN Cc1c([C@H](C)NC[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000090848498 342397570 /nfs/dbraw/zinc/39/75/70/342397570.db2.gz GZUMDJTWDBLLTP-SMDDNHRTSA-N 0 3 280.324 1.705 20 5 CDBDHN O=C(NC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000054951223 342443751 /nfs/dbraw/zinc/44/37/51/342443751.db2.gz DUPUQILHRZCVNB-UHFFFAOYSA-N 0 3 278.312 1.280 20 5 CDBDHN COc1ccc(CNC2([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234678 343490323 /nfs/dbraw/zinc/49/03/23/343490323.db2.gz NQPQKKBYWVJGMF-SECBINFHSA-N 0 3 266.297 1.606 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598342077 343770759 /nfs/dbraw/zinc/77/07/59/343770759.db2.gz DHFGAQUSGBGRMM-CYBMUJFWSA-N 0 3 291.351 1.738 20 5 CDBDHN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCCNCC1 ZINC000598917043 343920680 /nfs/dbraw/zinc/92/06/80/343920680.db2.gz RFFZIMPALSRSEB-UHFFFAOYSA-N 0 3 282.275 1.561 20 5 CDBDHN CO[C@H]1CN[C@@](C)(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602431705 344424487 /nfs/dbraw/zinc/42/44/87/344424487.db2.gz KCWMIOMEUUKYMK-DGCLKSJQSA-N 0 3 279.296 1.300 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CC(C)(C)CO ZINC000602835277 344618374 /nfs/dbraw/zinc/61/83/74/344618374.db2.gz IXGQTWGUCQMYJP-UHFFFAOYSA-N 0 3 270.333 1.050 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](CCCO)C1 ZINC000602837902 344620046 /nfs/dbraw/zinc/62/00/46/344620046.db2.gz PTJLXZYXWFJDHO-LBPRGKRZSA-N 0 3 282.344 1.194 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1[C@H](C)CO ZINC000602881625 344633607 /nfs/dbraw/zinc/63/36/07/344633607.db2.gz GHEYPWYHQWQDAP-DGCLKSJQSA-N 0 3 296.371 1.583 20 5 CDBDHN CCN1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000159284327 344806659 /nfs/dbraw/zinc/80/66/59/344806659.db2.gz CNZJMTORKGSJNR-SNVBAGLBSA-N 0 3 250.302 1.886 20 5 CDBDHN C[C@@H]1C[C@@H](C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159726991 362510911 /nfs/dbraw/zinc/51/09/11/362510911.db2.gz HXCPCKGNOZYFQM-VXGBXAGGSA-N 0 3 279.340 1.734 20 5 CDBDHN COc1cc(C[NH2+]C[C@](C)(O)C2CC2)c([N+](=O)[O-])cc1[O-] ZINC000344414414 362752795 /nfs/dbraw/zinc/75/27/95/362752795.db2.gz YGKPVSPFFKJTKP-AWEZNQCLSA-N 0 3 296.323 1.560 20 5 CDBDHN CCN1CCN(CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000058789708 348870533 /nfs/dbraw/zinc/87/05/33/348870533.db2.gz QOEZXDVNZQNWOQ-UHFFFAOYSA-N 0 3 296.346 1.783 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000068342253 349063158 /nfs/dbraw/zinc/06/31/58/349063158.db2.gz DZZVEAVVKCHURH-CQSZACIVSA-N 0 3 291.351 1.690 20 5 CDBDHN COC[C@H](O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090950238 180072160 /nfs/dbraw/zinc/07/21/60/180072160.db2.gz AFNWTMZGHKEQAV-GXFFZTMASA-N 0 3 268.313 1.643 20 5 CDBDHN Cc1nc(N2CC[C@H](N3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000515985353 362980400 /nfs/dbraw/zinc/98/04/00/362980400.db2.gz DMRKWQBLRGBGOU-LBPRGKRZSA-N 0 3 291.355 1.758 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CCCC1 ZINC000516389411 363089209 /nfs/dbraw/zinc/08/92/09/363089209.db2.gz RXNNLHCSXWQCMT-SNVBAGLBSA-N 0 3 280.328 1.147 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCCO1 ZINC000157768346 188337260 /nfs/dbraw/zinc/33/72/60/188337260.db2.gz GWNXUTQNUGRRIZ-GFCCVEGCSA-N 0 3 268.317 1.292 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000250973518 366115015 /nfs/dbraw/zinc/11/50/15/366115015.db2.gz FANVQKSICOJYMY-NWDGAFQWSA-N 0 3 292.339 1.573 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@H]2CN3CCC[C@@H]3CO2)cs1 ZINC000112839407 366159649 /nfs/dbraw/zinc/15/96/49/366159649.db2.gz QEZJHSUECBHFMO-NEPJUHHUSA-N 0 3 297.380 1.609 20 5 CDBDHN NC(=O)c1cccc(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000341535560 358493965 /nfs/dbraw/zinc/49/39/65/358493965.db2.gz PWCXJZZPDZMSMQ-UHFFFAOYSA-N 0 3 292.339 1.592 20 5 CDBDHN CC1(C)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174859685 188921500 /nfs/dbraw/zinc/92/15/00/188921500.db2.gz GERZMKHIYQGBRG-UHFFFAOYSA-N 0 3 252.318 1.913 20 5 CDBDHN C[C@H](O)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000304528132 356305517 /nfs/dbraw/zinc/30/55/17/356305517.db2.gz MHZRCSYGCSFBCV-CMPLNLGQSA-N 0 3 268.317 1.027 20 5 CDBDHN C[C@@H](CNc1cccnc1[N+](=O)[O-])N(C)C1CC1 ZINC000219436341 356349420 /nfs/dbraw/zinc/34/94/20/356349420.db2.gz NIBHYWBEBFDSEJ-VIFPVBQESA-N 0 3 250.302 1.884 20 5 CDBDHN CCOc1cccc(NCCNCCOC)c1[N+](=O)[O-] ZINC000135060415 357315053 /nfs/dbraw/zinc/31/50/53/357315053.db2.gz OKHBDZDOBRBFGY-UHFFFAOYSA-N 0 3 283.328 1.641 20 5 CDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000264448709 357318252 /nfs/dbraw/zinc/31/82/52/357318252.db2.gz SECSXGIDTULBFF-STQMWFEESA-N 0 3 296.323 1.055 20 5 CDBDHN CCCCN(CCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000182131415 357411076 /nfs/dbraw/zinc/41/10/76/357411076.db2.gz LURDJFRMGOVOJU-UHFFFAOYSA-N 0 3 297.355 1.241 20 5 CDBDHN CCN1C[C@H](C)N(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000331329229 357443255 /nfs/dbraw/zinc/44/32/55/357443255.db2.gz HBUNTWBKUNVHOS-RYUDHWBXSA-N 0 3 281.360 1.206 20 5 CDBDHN CCc1[nH]nc(C(=O)N(C)[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000185733365 357571656 /nfs/dbraw/zinc/57/16/56/357571656.db2.gz LLUPTSOCBPEAJA-VIFPVBQESA-N 0 3 295.343 1.047 20 5 CDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408070036 357805091 /nfs/dbraw/zinc/80/50/91/357805091.db2.gz DSQOQLKCFHHPPE-JQWIXIFHSA-N 0 3 292.339 1.622 20 5 CDBDHN CSC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188217839 357861319 /nfs/dbraw/zinc/86/13/19/357861319.db2.gz AEJMJBCGNPJMSR-SKDRFNHKSA-N 0 3 270.354 1.969 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@H](F)CN1 ZINC000188366673 357885599 /nfs/dbraw/zinc/88/55/99/357885599.db2.gz CPSOTDYMQNTFLO-WDEREUQCSA-N 0 3 281.287 1.253 20 5 CDBDHN Cc1cnc(N(C)C2CCN(CCO)CC2)c([N+](=O)[O-])c1 ZINC000361273558 358133741 /nfs/dbraw/zinc/13/37/41/358133741.db2.gz UCQDPTQIIPFTAS-UHFFFAOYSA-N 0 3 294.355 1.191 20 5 CDBDHN C[C@H](CO)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439929 358235552 /nfs/dbraw/zinc/23/55/52/358235552.db2.gz CAARRLLPAOEDGY-QMMMGPOBSA-N 0 3 258.705 1.966 20 5 CDBDHN C[C@@H]1OCC[C@@]1(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000227968144 358667325 /nfs/dbraw/zinc/66/73/25/358667325.db2.gz FKWRTYOUMZGVQS-GXFFZTMASA-N 0 3 266.297 1.224 20 5 CDBDHN C[C@H]1CSC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352815997 358940993 /nfs/dbraw/zinc/94/09/93/358940993.db2.gz MZCXEUSJFQIFDW-ONGXEEELSA-N 0 3 295.364 1.874 20 5 CDBDHN COc1cc(N2C[C@@H]3CCN(C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000450778291 359001297 /nfs/dbraw/zinc/00/12/97/359001297.db2.gz LTRRHNMWEXJOPB-GXFFZTMASA-N 0 3 277.324 1.744 20 5 CDBDHN COc1ccc(CNCCn2cccn2)cc1[N+](=O)[O-] ZINC000049076809 359251093 /nfs/dbraw/zinc/25/10/93/359251093.db2.gz NKFXAOGSJGHVOT-UHFFFAOYSA-N 0 3 276.296 1.590 20 5 CDBDHN Cc1cccc(C(=O)N(C)CCN(C)C)c1[N+](=O)[O-] ZINC000177685207 189063596 /nfs/dbraw/zinc/06/35/96/189063596.db2.gz UINXBMHLJDCPRQ-UHFFFAOYSA-N 0 3 265.313 1.537 20 5 CDBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000274477225 361534682 /nfs/dbraw/zinc/53/46/82/361534682.db2.gz NMCORCGOBBHJIA-UHFFFAOYSA-N 0 3 291.311 1.661 20 5 CDBDHN C[C@H](N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000295211003 239302950 /nfs/dbraw/zinc/30/29/50/239302950.db2.gz UQWBUFKBMFAJNQ-GXFFZTMASA-N 0 3 282.340 1.719 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)nc1 ZINC000110490042 365051428 /nfs/dbraw/zinc/05/14/28/365051428.db2.gz FNFYPADALJCYQX-VXGBXAGGSA-N 0 3 278.312 1.265 20 5 CDBDHN C[C@H]1CCC[C@H](CO)N1CCn1ccc([N+](=O)[O-])n1 ZINC000270507536 366891114 /nfs/dbraw/zinc/89/11/14/366891114.db2.gz RDQTXXRJTFZRPD-WDEREUQCSA-N 0 3 268.317 1.027 20 5 CDBDHN C[C@H](NC(=O)/C=C/CN(C)C)c1ccccc1[N+](=O)[O-] ZINC000272087667 367082054 /nfs/dbraw/zinc/08/20/54/367082054.db2.gz IMXNDBRNDDHWCB-LAHYYIKRSA-N 0 3 277.324 1.890 20 5 CDBDHN Cc1nc(N(C)C2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000348345510 367143293 /nfs/dbraw/zinc/14/32/93/367143293.db2.gz SJBSCGUUKDHZAM-UHFFFAOYSA-N 0 3 294.355 1.191 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H](C)O ZINC000386957683 367154261 /nfs/dbraw/zinc/15/42/61/367154261.db2.gz YFCOWLVMGDWOTH-DTWKUNHWSA-N 0 3 254.286 1.462 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCC(N)=O ZINC000348832651 368070013 /nfs/dbraw/zinc/07/00/13/368070013.db2.gz KEQTYWATWHWZFD-DHZHZOJOSA-N 0 3 277.324 1.805 20 5 CDBDHN Nc1nc(N[C@H]2CCN(C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000301190522 368334626 /nfs/dbraw/zinc/33/46/26/368334626.db2.gz MARSGUPXATYZMG-VIFPVBQESA-N 0 3 292.343 1.396 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCN1C ZINC000330907245 203376588 /nfs/dbraw/zinc/37/65/88/203376588.db2.gz NRQKSBWSTPSNNV-BDAKNGLRSA-N 0 3 283.353 1.869 20 5 CDBDHN Cc1sc(C(=O)N2CC[C@H](N(C)C)C2)cc1[N+](=O)[O-] ZINC000170867468 369980406 /nfs/dbraw/zinc/98/04/06/369980406.db2.gz NJEDTRLYSZFBSV-VIFPVBQESA-N 0 3 283.353 1.741 20 5 CDBDHN CN1CCNC[C@@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414971850 371128897 /nfs/dbraw/zinc/12/88/97/371128897.db2.gz WXDVRRHDOKNZFC-YVZNUBBCSA-N 0 3 290.367 1.101 20 5 CDBDHN COC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269647257 373301640 /nfs/dbraw/zinc/30/16/40/373301640.db2.gz LDXRCDSKLBLJJS-WFASDCNBSA-N 0 3 294.351 1.987 20 5 CDBDHN Cc1ccc(CNCCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000289550874 197399568 /nfs/dbraw/zinc/39/95/68/197399568.db2.gz XQOPKZLCYQXULD-UHFFFAOYSA-N 0 3 293.367 1.715 20 5 CDBDHN COCCCN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065537971 374273953 /nfs/dbraw/zinc/27/39/53/374273953.db2.gz UFOCWPZOSBGAJR-UHFFFAOYSA-N 0 3 268.313 1.942 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000375695961 374507563 /nfs/dbraw/zinc/50/75/63/374507563.db2.gz GFNRLSJQHRXLEE-NEPJUHHUSA-N 0 3 292.339 1.452 20 5 CDBDHN CNC(=O)[C@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000081555001 374519205 /nfs/dbraw/zinc/51/92/05/374519205.db2.gz OVEDZUSZANMJRW-SNVBAGLBSA-N 0 3 265.313 1.409 20 5 CDBDHN CO[C@@H]1COCC[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000449450305 374810134 /nfs/dbraw/zinc/81/01/34/374810134.db2.gz BBNZVOXPVNEOEX-TZMCWYRMSA-N 0 3 280.324 1.736 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)[C@H](C)CN1C ZINC000330582628 374868909 /nfs/dbraw/zinc/86/89/09/374868909.db2.gz KAZKGVDRCMWGIR-CHWSQXEVSA-N 0 3 293.367 1.998 20 5 CDBDHN Cc1ccccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000037894962 374997092 /nfs/dbraw/zinc/99/70/92/374997092.db2.gz FEJKQMNCOATVNT-CQSZACIVSA-N 0 3 290.323 1.250 20 5 CDBDHN CCO[C@H]1COCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000353210689 375588180 /nfs/dbraw/zinc/58/81/80/375588180.db2.gz ZVOYJKUZQXDORJ-KGLIPLIRSA-N 0 3 280.324 1.878 20 5 CDBDHN COC[C@@H](CNCc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000227708047 375596129 /nfs/dbraw/zinc/59/61/29/375596129.db2.gz ZKDOVMDUVMZLMT-GFCCVEGCSA-N 0 3 268.313 1.654 20 5 CDBDHN CN(C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCC1 ZINC000353363122 375602120 /nfs/dbraw/zinc/60/21/20/375602120.db2.gz KVWSZYCFINFMAP-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN CC(C)C[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354073738 375673249 /nfs/dbraw/zinc/67/32/49/375673249.db2.gz QXLULQIBZFAPCH-JTQLQIEISA-N 0 3 291.311 1.205 20 5 CDBDHN CCOC1(C)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000428718212 247353858 /nfs/dbraw/zinc/35/38/58/247353858.db2.gz MGXDDUQOLMKCOG-UHFFFAOYSA-N 0 3 282.344 1.682 20 5 CDBDHN C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)N(C)C ZINC000347425740 376129228 /nfs/dbraw/zinc/12/92/28/376129228.db2.gz KLPHOBYHEHLWAK-SECBINFHSA-N 0 3 275.312 1.322 20 5 CDBDHN Cc1ccc(CNC[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000267060544 376616687 /nfs/dbraw/zinc/61/66/87/376616687.db2.gz PFCFGXUEOYMISJ-CYBMUJFWSA-N 0 3 282.365 1.861 20 5 CDBDHN C[C@H](NC[C@]1(O)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278768548 194147105 /nfs/dbraw/zinc/14/71/05/194147105.db2.gz LBGSAFVJODXWRJ-COPLHBTASA-N 0 3 280.324 1.785 20 5 CDBDHN Cc1nc(NCCN2[C@H](C)CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450326720 251225205 /nfs/dbraw/zinc/22/52/05/251225205.db2.gz ZGADVFQAFOCLIS-PHIMTYICSA-N 0 3 293.371 1.790 20 5 CDBDHN Cc1nc(N[C@H]2CCCN(C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450435727 251282517 /nfs/dbraw/zinc/28/25/17/251282517.db2.gz IDSXQOUFLKRVNY-ZJUUUORDSA-N 0 3 265.317 1.588 20 5 CDBDHN CCC[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557892 251339646 /nfs/dbraw/zinc/33/96/46/251339646.db2.gz BZAICDLEPHMVPN-WCQYABFASA-N 0 3 294.355 1.637 20 5 CDBDHN Cc1ccc(CN(C[C@H](O)CO)C(C)C)cc1[N+](=O)[O-] ZINC000421400391 390636339 /nfs/dbraw/zinc/63/63/39/390636339.db2.gz BSUVIRGTERHXET-ZDUSSCGKSA-N 0 3 282.340 1.467 20 5 CDBDHN CCC[C@@H](O)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283849559 195931619 /nfs/dbraw/zinc/93/16/19/195931619.db2.gz BDSGBXZFISGMJJ-GXSJLCMTSA-N 0 3 267.329 1.989 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CNCCO2)c(Cl)c1 ZINC000415093416 391017012 /nfs/dbraw/zinc/01/70/12/391017012.db2.gz IGFRXJFMJOGDCK-LLVKDONJSA-N 0 3 285.731 1.326 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000408392783 391185664 /nfs/dbraw/zinc/18/56/64/391185664.db2.gz CSGFGHSFOZWTED-UHFFFAOYSA-N 0 3 295.343 1.265 20 5 CDBDHN CC(C)c1[nH]nc(C(=O)N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000408392783 391185666 /nfs/dbraw/zinc/18/56/66/391185666.db2.gz CSGFGHSFOZWTED-UHFFFAOYSA-N 0 3 295.343 1.265 20 5 CDBDHN C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000415631378 391470258 /nfs/dbraw/zinc/47/02/58/391470258.db2.gz MPLPMEHLPZMEDC-BDAKNGLRSA-N 0 3 296.302 1.948 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)C1 ZINC000450947116 391494100 /nfs/dbraw/zinc/49/41/00/391494100.db2.gz BCKGQNKJXUPJHJ-SNVBAGLBSA-N 0 3 265.317 1.304 20 5 CDBDHN C[C@@H]1NCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000262816217 131264727 /nfs/dbraw/zinc/26/47/27/131264727.db2.gz RXKUDBGHQMBLKS-UWVGGRQHSA-N 0 3 263.297 1.417 20 5 CDBDHN CCN1CCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000036749297 392954600 /nfs/dbraw/zinc/95/46/00/392954600.db2.gz HAHWKJHLVJXVIT-SNVBAGLBSA-N 0 3 267.333 1.533 20 5 CDBDHN O=C(N[C@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])s1 ZINC000449654269 393137382 /nfs/dbraw/zinc/13/73/82/393137382.db2.gz DRHZMHDEGNULGC-ZETCQYMHSA-N 0 3 291.279 1.383 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])CCN1CCOCC1 ZINC000352550475 393226007 /nfs/dbraw/zinc/22/60/07/393226007.db2.gz NNWPMMRSUSBZII-UHFFFAOYSA-N 0 3 293.367 1.401 20 5 CDBDHN Cc1cc(N2CCN(C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000275431943 135106923 /nfs/dbraw/zinc/10/69/23/135106923.db2.gz VLHNSDWKNXXYJO-OLZOCXBDSA-N 0 3 293.367 1.795 20 5 CDBDHN Cc1c(CNC(=O)[C@H]2C[C@H](C)CCN2)cccc1[N+](=O)[O-] ZINC000231856057 140220278 /nfs/dbraw/zinc/22/02/78/140220278.db2.gz FYDLMXPOUORDEG-ZWNOBZJWSA-N 0 3 291.351 1.908 20 5 CDBDHN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000251890652 140314489 /nfs/dbraw/zinc/31/44/89/140314489.db2.gz XAIUYSPUMBHSSP-GXFFZTMASA-N 0 3 250.298 1.798 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2NCCc3ccccc32)nc1 ZINC000261770086 140387162 /nfs/dbraw/zinc/38/71/62/140387162.db2.gz VVTIMMXFAVQXLT-CYBMUJFWSA-N 0 3 285.307 1.684 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262763071 149111932 /nfs/dbraw/zinc/11/19/32/149111932.db2.gz IULFBGWWZARNJO-WDEREUQCSA-N 0 3 292.339 1.216 20 5 CDBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CCCN1C ZINC000343483234 152197630 /nfs/dbraw/zinc/19/76/30/152197630.db2.gz UYXQDGMRVAPAGO-GXSJLCMTSA-N 0 3 250.302 1.884 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCC(C)CC1 ZINC000346420526 153179133 /nfs/dbraw/zinc/17/91/33/153179133.db2.gz RYQQFNHSOHJRBB-LLVKDONJSA-N 0 3 294.355 1.773 20 5 CDBDHN CCCC[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353436617 155851734 /nfs/dbraw/zinc/85/17/34/155851734.db2.gz HVRNNEWKVQWEHU-GFCCVEGCSA-N 0 3 295.339 1.737 20 5 CDBDHN Cc1c(CN2C[C@H](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000362090280 159067852 /nfs/dbraw/zinc/06/78/52/159067852.db2.gz MUOXSACJUTVWCO-GXFFZTMASA-N 0 3 264.325 1.963 20 5 CDBDHN CSc1cccc(C(=O)NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000362842950 159250287 /nfs/dbraw/zinc/25/02/87/159250287.db2.gz NBARHYBJZIKSIS-SECBINFHSA-N 0 3 297.380 1.997 20 5 CDBDHN CNC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285236615 196228671 /nfs/dbraw/zinc/22/86/71/196228671.db2.gz GHZJQFMYRSKQOW-UHFFFAOYSA-N 0 3 265.313 1.205 20 5 CDBDHN CN(C)CCn1cc(Br)c([N+](=O)[O-])n1 ZINC000040517285 174307332 /nfs/dbraw/zinc/30/73/32/174307332.db2.gz LMRHJRRWAMQYRQ-UHFFFAOYSA-N 0 3 263.095 1.115 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000078727878 177377686 /nfs/dbraw/zinc/37/76/86/177377686.db2.gz YENIGZXPBRQSDW-UHFFFAOYSA-N 0 3 268.313 1.676 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000525804902 262367413 /nfs/dbraw/zinc/36/74/13/262367413.db2.gz VPQZWSWIEFKBMU-LLVKDONJSA-N 0 3 291.351 1.975 20 5 CDBDHN COC[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265842779 270313017 /nfs/dbraw/zinc/31/30/17/270313017.db2.gz WXWWMKSTAJQXDN-GFCCVEGCSA-N 0 3 280.324 1.942 20 5 CDBDHN CNC(=O)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000322643730 270331017 /nfs/dbraw/zinc/33/10/17/270331017.db2.gz CKDJSVZHZNASIM-VHSXEESVSA-N 0 3 265.313 1.770 20 5 CDBDHN Cc1c(CNC(=O)[C@H](N)C2CCC2)cccc1[N+](=O)[O-] ZINC000399026748 270367190 /nfs/dbraw/zinc/36/71/90/270367190.db2.gz KABBJDIPQADKCA-CYBMUJFWSA-N 0 3 277.324 1.647 20 5 CDBDHN CC[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)N1CCCC1 ZINC000301302508 273747146 /nfs/dbraw/zinc/74/71/46/273747146.db2.gz WAGGXCFIYXVLLJ-LLVKDONJSA-N 0 3 281.360 1.923 20 5 CDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CCN1 ZINC000052783416 274364319 /nfs/dbraw/zinc/36/43/19/274364319.db2.gz RPCQJLYILGGCHW-SNVBAGLBSA-N 0 3 272.308 1.941 20 5 CDBDHN Cc1cc(N2CC[C@H](N3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC000266859975 274711212 /nfs/dbraw/zinc/71/12/12/274711212.db2.gz WDLBQSOLZNUHES-LBPRGKRZSA-N 0 3 274.324 1.749 20 5 CDBDHN O=[N+]([O-])c1c(N[C@H]2CCN(C3CC3)C2)nc2sccn21 ZINC000044417290 275032787 /nfs/dbraw/zinc/03/27/87/275032787.db2.gz NFOAQBIWGYIEDS-QMMMGPOBSA-N 0 3 293.352 1.953 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2Cc1c([N+](=O)[O-])ncn1C ZINC000365920792 276234332 /nfs/dbraw/zinc/23/43/32/276234332.db2.gz MCJLVTSQQLFWDU-NEPJUHHUSA-N 0 3 293.371 1.387 20 5 CDBDHN C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000038083203 278355022 /nfs/dbraw/zinc/35/50/22/278355022.db2.gz GECCNZUMEILSOM-GHMZBOCLSA-N 0 3 298.364 1.680 20 5 CDBDHN CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046602523 279149149 /nfs/dbraw/zinc/14/91/49/279149149.db2.gz RULAYIIWJUXIJE-GFCCVEGCSA-N 0 3 266.297 1.429 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000086468334 279251511 /nfs/dbraw/zinc/25/15/11/279251511.db2.gz QGQQYLBHHRVPPB-JIVBQCDMSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@@H]1CC[C@@H](C)N1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552252 279279258 /nfs/dbraw/zinc/27/92/58/279279258.db2.gz PEMANKMWDIZWRS-GHMZBOCLSA-N 0 3 265.313 1.629 20 5 CDBDHN CCOC[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551584 279279330 /nfs/dbraw/zinc/27/93/30/279279330.db2.gz WYYNHZBNVKUPAZ-LBPRGKRZSA-N 0 3 295.339 1.115 20 5 CDBDHN C[C@H](CO)N(Cc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000248881729 280390615 /nfs/dbraw/zinc/39/06/15/280390615.db2.gz DGPJPATXKGYXKS-MNOVXSKESA-N 0 3 268.313 1.158 20 5 CDBDHN Cc1nc(N2C[C@@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000122695380 281943841 /nfs/dbraw/zinc/94/38/41/281943841.db2.gz QQOVLSYCCKAFNN-BDAKNGLRSA-N 0 3 250.302 1.485 20 5 CDBDHN Nc1ccc(N2CC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000377120475 295354274 /nfs/dbraw/zinc/35/42/74/295354274.db2.gz OOEPSOSMBPQGAI-LBPRGKRZSA-N 0 3 276.340 1.852 20 5 CDBDHN COC[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419605 316304435 /nfs/dbraw/zinc/30/44/35/316304435.db2.gz XQDUNXVTDBXSOG-SKDRFNHKSA-N 0 3 266.297 1.179 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000379494213 323601388 /nfs/dbraw/zinc/60/13/88/323601388.db2.gz MTLSXKKEVVAVDV-FNSAGKMKSA-N 0 3 289.335 1.817 20 5 CDBDHN COC[C@@](C)(O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000583316040 325149889 /nfs/dbraw/zinc/14/98/89/325149889.db2.gz QMAXINUNRCPAIH-GJZGRUSLSA-N 0 3 294.351 1.959 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000054460281 521657393 /nfs/dbraw/zinc/65/73/93/521657393.db2.gz ZALQXLATHAEDKH-NSHDSACASA-N 0 3 292.339 1.512 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3cn[nH]c3)CC2)n1 ZINC000365825655 527407407 /nfs/dbraw/zinc/40/74/07/527407407.db2.gz PNHVGFCDYHIWQN-UHFFFAOYSA-N 0 3 290.327 1.394 20 5 CDBDHN CC[C@H](O)[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176240436 535997989 /nfs/dbraw/zinc/99/79/89/535997989.db2.gz XQDSIUAUDVHZIQ-RYUDHWBXSA-N 0 3 282.344 1.417 20 5 CDBDHN CN1CCC(ONC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000773548355 575823288 /nfs/dbraw/zinc/82/32/88/575823288.db2.gz WRNGGFPXPDJMIY-UHFFFAOYSA-N 0 3 297.286 1.490 20 5 CDBDHN Cc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])c(=O)[nH]1 ZINC000813104269 617342990 /nfs/dbraw/zinc/34/29/90/617342990.db2.gz LFHVAHWGIRFLAS-QMMMGPOBSA-N 0 3 254.242 1.226 20 5 CDBDHN CC(COC(=O)C[C@H]1CCC2(CCC2)CO1)[N+](=O)[O-] ZINC000893048275 618100832 /nfs/dbraw/zinc/10/08/32/618100832.db2.gz VIPCYJJOBHPVHJ-GHMZBOCLSA-N 0 3 271.313 1.934 20 5 CDBDHN COc1ccc(CCNCC[N+](=O)[O-])cc1OC ZINC000899858740 622485727 /nfs/dbraw/zinc/48/57/27/622485727.db2.gz ANUIEBPBIHGONG-UHFFFAOYSA-N 0 3 254.286 1.113 20 5 CDBDHN Cc1ccc([C@@H](CNCC[N+](=O)[O-])N2CCCC2)o1 ZINC000905089162 626605232 /nfs/dbraw/zinc/60/52/32/626605232.db2.gz MCJBCZFYFVOHFX-GFCCVEGCSA-N 0 3 267.329 1.591 20 5 CDBDHN CCn1c2ccccc2nc1CCNCC[N+](=O)[O-] ZINC000905072165 626617123 /nfs/dbraw/zinc/61/71/23/626617123.db2.gz RNSNSHNXQPIUPE-UHFFFAOYSA-N 0 3 262.313 1.465 20 5 CDBDHN COC(=O)Nc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000905139388 626652492 /nfs/dbraw/zinc/65/24/92/626652492.db2.gz XQROLGIMVQWMSA-UHFFFAOYSA-N 0 3 267.285 1.274 20 5 CDBDHN COc1ccc(C[C@H](C)N2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335711 1162339436 /nfs/dbraw/zinc/33/94/36/1162339436.db2.gz QMDZUWJQSYVCOT-XHDPSFHLSA-N 0 3 294.351 1.991 20 5 CDBDHN C[C@H](Nc1cnc(Cl)cc1[N+](=O)[O-])[C@H]1CNCCO1 ZINC001170568204 1162946236 /nfs/dbraw/zinc/94/62/36/1162946236.db2.gz HCUNWLJGKVUUNZ-OIBJUYFYSA-N 0 3 286.719 1.432 20 5 CDBDHN C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001609113793 1164775262 /nfs/dbraw/zinc/77/52/62/1164775262.db2.gz HLVLQVKBRKKLPZ-MRVPVSSYSA-N 0 3 291.315 1.137 20 5 CDBDHN C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[NH+](C)C ZINC001609113793 1164775268 /nfs/dbraw/zinc/77/52/68/1164775268.db2.gz HLVLQVKBRKKLPZ-MRVPVSSYSA-N 0 3 291.315 1.137 20 5 CDBDHN Cc1ccn(C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000870378898 1165167136 /nfs/dbraw/zinc/16/71/36/1165167136.db2.gz ZZSAZHJWSAMVNB-SCZZXKLOSA-N 0 3 255.274 1.036 20 5 CDBDHN O=[N+]([O-])c1cccc(Cn2cc(CNCC3CC3)nn2)c1 ZINC000161984263 1179113739 /nfs/dbraw/zinc/11/37/39/1179113739.db2.gz YESFXGDCIKJVAL-UHFFFAOYSA-N 0 3 287.323 1.734 20 5 CDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000401236091 1186407708 /nfs/dbraw/zinc/40/77/08/1186407708.db2.gz RGVUMPOJFGTHGY-XHNCKOQMSA-N 0 3 283.353 1.867 20 5 CDBDHN Cc1nn2c(nc(C)cc2C)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111213 735361699 /nfs/dbraw/zinc/36/16/99/735361699.db2.gz CVXFGBIEZKVAIS-VIFPVBQESA-N 0 3 292.295 1.477 20 5 CDBDHN CCc1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000819055778 735478001 /nfs/dbraw/zinc/47/80/01/735478001.db2.gz YTZZGHDQLBFNTE-CQSZACIVSA-N 0 3 290.323 1.704 20 5 CDBDHN CCc1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000819055778 735478004 /nfs/dbraw/zinc/47/80/04/735478004.db2.gz YTZZGHDQLBFNTE-CQSZACIVSA-N 0 3 290.323 1.704 20 5 CDBDHN Cc1c(CNCCN2CCNC2=O)cccc1[N+](=O)[O-] ZINC000231885441 735527300 /nfs/dbraw/zinc/52/73/00/735527300.db2.gz DVNHLXSACWBHIB-UHFFFAOYSA-N 0 3 278.312 1.018 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)CO ZINC000126046488 733404543 /nfs/dbraw/zinc/40/45/43/733404543.db2.gz SPGYEGPZIDAUMN-UHFFFAOYSA-N 0 3 256.277 1.937 20 5 CDBDHN CO[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581267 733467474 /nfs/dbraw/zinc/46/74/74/733467474.db2.gz GIAJPMIESNXSQR-KGLIPLIRSA-N 0 3 280.324 1.739 20 5 CDBDHN CC(COC(=O)C[C@@H](C)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113673 734095226 /nfs/dbraw/zinc/09/52/26/734095226.db2.gz SKECDGRGHIGWTI-MNOVXSKESA-N 0 3 294.307 1.403 20 5 CDBDHN O=[N+]([O-])c1ccc(CN(CCO)C2CCOCC2)cc1F ZINC000801547060 734136104 /nfs/dbraw/zinc/13/61/04/734136104.db2.gz DYLNMWMXKAKILJ-UHFFFAOYSA-N 0 3 298.314 1.707 20 5 CDBDHN O=C1NCCC12CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000877783361 734175512 /nfs/dbraw/zinc/17/55/12/734175512.db2.gz PZJOSYBTVACYJT-UHFFFAOYSA-N 0 3 289.335 1.697 20 5 CDBDHN CC(COC(=O)C[C@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000813101735 734959388 /nfs/dbraw/zinc/95/93/88/734959388.db2.gz ICVQSDIVBVFCHY-IUCAKERBSA-N 0 3 290.316 1.498 20 5 CDBDHN O=C1[C@H](N2C[C@@H]3C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000886345418 735132376 /nfs/dbraw/zinc/13/23/76/735132376.db2.gz ZSQKEBJLWJEFMM-UHIISALHSA-N 0 3 287.319 1.652 20 5 CDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813100663 736082459 /nfs/dbraw/zinc/08/24/59/736082459.db2.gz VEMTUOVDNOXBMZ-SSDOTTSWSA-N 0 3 268.225 1.725 20 5 CDBDHN COCC[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052808105 1166818047 /nfs/dbraw/zinc/81/80/47/1166818047.db2.gz NEFWPUAOTUVKSN-SKDRFNHKSA-N 0 3 281.312 1.136 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2cnc(CN)c2)c1 ZINC001162304126 922235282 /nfs/dbraw/zinc/23/52/82/922235282.db2.gz ABEVKWNYACMHGE-UHFFFAOYSA-N 0 3 276.252 1.026 20 5 CDBDHN NCc1ccnn1-c1ccc2cnccc2c1[N+](=O)[O-] ZINC001162597484 922796464 /nfs/dbraw/zinc/79/64/64/922796464.db2.gz HSFHVYUTZPDLQU-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN NCc1ccnn1-c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001155124725 926557289 /nfs/dbraw/zinc/55/72/89/926557289.db2.gz FKZOMSTTWQJBKK-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN Cc1cccn2c(CN[C@@H]3CC[C@@H](C[N+](=O)[O-])C3)nnc12 ZINC001168964792 927587720 /nfs/dbraw/zinc/58/77/20/927587720.db2.gz WGBVVWRWFQYYQU-VXGBXAGGSA-N 0 3 289.339 1.573 20 5 CDBDHN CN(Cc1ccncn1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169055778 927671570 /nfs/dbraw/zinc/67/15/70/927671570.db2.gz QGESFCKOWWOOJS-PWSUYJOCSA-N 0 3 250.302 1.354 20 5 CDBDHN NCc1cnnn1-c1ccc([N+](=O)[O-])c2cnccc21 ZINC001169309690 927946506 /nfs/dbraw/zinc/94/65/06/927946506.db2.gz JKUBGWYKEPGNET-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN Cc1cc(CN)nn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156043197 938313739 /nfs/dbraw/zinc/31/37/39/938313739.db2.gz XAOMZMIKUQQNJK-UHFFFAOYSA-N 0 3 272.268 1.424 20 5 CDBDHN CN1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001157272551 938473537 /nfs/dbraw/zinc/47/35/37/938473537.db2.gz OHBYWCWWRKCWSM-BXKDBHETSA-N 0 3 277.328 1.102 20 5 CDBDHN COc1cc(C)nc(Nc2ccc(CN)nc2)c1[N+](=O)[O-] ZINC001160402447 938784792 /nfs/dbraw/zinc/78/47/92/938784792.db2.gz UYOBJEXTIJJJIH-UHFFFAOYSA-N 0 3 289.295 1.904 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1-n1nccc1CN ZINC001162593666 939096898 /nfs/dbraw/zinc/09/68/98/939096898.db2.gz OQJVEUKNOUJLFO-UHFFFAOYSA-N 0 3 276.252 1.026 20 5 CDBDHN NCc1ccnn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001162593268 939097969 /nfs/dbraw/zinc/09/79/69/939097969.db2.gz FFPGGCCUBLNYSV-UHFFFAOYSA-N 0 3 276.281 1.244 20 5 CDBDHN C[NH+]1CCC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227742086 942215719 /nfs/dbraw/zinc/21/57/19/942215719.db2.gz VSCYHHZMLDAXDF-UHFFFAOYSA-N 0 3 276.296 1.944 20 5 CDBDHN C[NH+]1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227742086 942215724 /nfs/dbraw/zinc/21/57/24/942215724.db2.gz VSCYHHZMLDAXDF-UHFFFAOYSA-N 0 3 276.296 1.944 20 5 CDBDHN COC(=O)c1cc(O[C@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC001228769704 942373431 /nfs/dbraw/zinc/37/34/31/942373431.db2.gz YATDQBDCAFPNFW-NSHDSACASA-N 0 3 280.280 1.464 20 5 CDBDHN Cc1nc(NC[C@@H]2CCCCN2C)ncc1[N+](=O)[O-] ZINC001336764601 960561441 /nfs/dbraw/zinc/56/14/41/960561441.db2.gz MHSKKTJEEKEKGW-JTQLQIEISA-N 0 3 265.317 1.589 20 5 CDBDHN C[C@@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1C)[N+](=O)[O-] ZINC001338831788 962022439 /nfs/dbraw/zinc/02/24/39/962022439.db2.gz BLQRPFLLAWIIDK-JTQLQIEISA-N 0 3 296.375 1.073 20 5 CDBDHN CC(C)[C@@H]1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC001346123737 964945661 /nfs/dbraw/zinc/94/56/61/964945661.db2.gz OYZGLTNZARDABI-DCAQKATOSA-N 0 3 259.302 1.646 20 5 CDBDHN CC(COC(=O)c1cccc(N2CCNC2=O)c1)[N+](=O)[O-] ZINC001514774882 976341851 /nfs/dbraw/zinc/34/18/51/976341851.db2.gz LAYNXUUZKAZSKX-SECBINFHSA-N 0 3 293.279 1.038 20 5 CDBDHN CC(COC(=O)c1cnn(C2CCC2)c1)[N+](=O)[O-] ZINC001515231429 976412609 /nfs/dbraw/zinc/41/26/09/976412609.db2.gz YYAIQXPLMCCISH-QMMMGPOBSA-N 0 3 253.258 1.430 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1NC(C)(C)O[C@H]1C ZINC001578361258 1171885311 /nfs/dbraw/zinc/88/53/11/1171885311.db2.gz HKBLMZIDLINFBC-UWVGGRQHSA-N 0 3 297.359 1.645 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H]1CN1CCCC1 ZINC000586759887 342467002 /nfs/dbraw/zinc/46/70/02/342467002.db2.gz DIIBJWITVOBYIK-SNVBAGLBSA-N 0 3 293.327 1.018 20 5 CDBDHN CC[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H](C)O ZINC000590659869 342581424 /nfs/dbraw/zinc/58/14/24/342581424.db2.gz LBIIMZDKYQLEBQ-MWLCHTKSSA-N 0 3 296.323 1.615 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C ZINC000046273179 342055089 /nfs/dbraw/zinc/05/50/89/342055089.db2.gz SLUSKIAUVCHTHD-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN Cc1ccc(CNC[C@@H]2C[C@H](F)CN2)cc1[N+](=O)[O-] ZINC000591281653 342624371 /nfs/dbraw/zinc/62/43/71/342624371.db2.gz IUPMYCYFDJAXMW-RYUDHWBXSA-N 0 3 267.304 1.693 20 5 CDBDHN C[C@@H]1CCCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000046878689 342132320 /nfs/dbraw/zinc/13/23/20/342132320.db2.gz VZHIQNPEIVAFSP-SNVBAGLBSA-N 0 3 280.328 1.385 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN[C@@H](C(C)C)C2)c1 ZINC000592241959 342680831 /nfs/dbraw/zinc/68/08/31/342680831.db2.gz MMNPGOZNPLNNQU-CYBMUJFWSA-N 0 3 291.351 1.973 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1 ZINC000592543774 342708762 /nfs/dbraw/zinc/70/87/62/342708762.db2.gz JCLCKADSZQQNNQ-SECBINFHSA-N 0 3 267.285 1.258 20 5 CDBDHN Cc1ccc(CNC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453583414 252328071 /nfs/dbraw/zinc/32/80/71/252328071.db2.gz CXYGFFKPLONWDT-AWEZNQCLSA-N 0 3 277.324 1.662 20 5 CDBDHN Nc1nc(N[C@H]2CCCN3CCCC[C@H]23)ncc1[N+](=O)[O-] ZINC000594602499 342924309 /nfs/dbraw/zinc/92/43/09/342924309.db2.gz QSXLDDZRHLMWMC-VHSXEESVSA-N 0 3 292.343 1.226 20 5 CDBDHN CC(C)(C)[C@H](N)c1cn(-c2ccc([N+](=O)[O-])cn2)nn1 ZINC000594650195 342932158 /nfs/dbraw/zinc/93/21/58/342932158.db2.gz VDBYNEOWIGOZTN-LLVKDONJSA-N 0 3 276.300 1.616 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)C(N)=O ZINC000595024562 342996541 /nfs/dbraw/zinc/99/65/41/342996541.db2.gz AKPRVFLAQGRHHM-VIFPVBQESA-N 0 3 295.339 1.766 20 5 CDBDHN CN(CCN1CCCC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596112755 343230305 /nfs/dbraw/zinc/23/03/05/343230305.db2.gz UZJZTYZVGGTSDP-UHFFFAOYSA-N 0 3 292.339 1.226 20 5 CDBDHN C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000596088566 343233460 /nfs/dbraw/zinc/23/34/60/343233460.db2.gz QCQXDGOCUUOBOW-JTQLQIEISA-N 0 3 280.328 1.839 20 5 CDBDHN CCC[N@@H+]1CCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596231361 343273329 /nfs/dbraw/zinc/27/33/29/343273329.db2.gz KIVKSKAZODXNFP-JTQLQIEISA-N 0 3 280.328 1.982 20 5 CDBDHN CCC[N@H+]1CCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596231361 343273330 /nfs/dbraw/zinc/27/33/30/343273330.db2.gz KIVKSKAZODXNFP-JTQLQIEISA-N 0 3 280.328 1.982 20 5 CDBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000619579003 349810416 /nfs/dbraw/zinc/81/04/16/349810416.db2.gz YONFMWHVWXUSJH-JTQLQIEISA-N 0 3 280.328 1.479 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCN1 ZINC000598576653 343834006 /nfs/dbraw/zinc/83/40/06/343834006.db2.gz YIJYDYNYFYBPJM-NSHDSACASA-N 0 3 292.339 1.247 20 5 CDBDHN CCN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CCN(C)CC1 ZINC000599985261 344159825 /nfs/dbraw/zinc/15/98/25/344159825.db2.gz BCYZIAFPYTXXOH-UHFFFAOYSA-N 0 3 294.355 1.490 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C3CCC2CC3)c1 ZINC000602150316 344351844 /nfs/dbraw/zinc/35/18/44/344351844.db2.gz GJDXBIGVQUJXOL-YIZWMMSDSA-N 0 3 292.335 1.961 20 5 CDBDHN Cc1ccc(CN2C[C@@H]3COC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000601974458 344301509 /nfs/dbraw/zinc/30/15/09/344301509.db2.gz JIQMJGHEICQRFM-BETUJISGSA-N 0 3 262.309 1.981 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC(C)(C)CC[C@H]1CO ZINC000602912346 344646384 /nfs/dbraw/zinc/64/63/84/344646384.db2.gz JIDPKEOPRRAEAH-LBPRGKRZSA-N 0 3 296.371 1.583 20 5 CDBDHN COC[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000265776497 362602527 /nfs/dbraw/zinc/60/25/27/362602527.db2.gz JQNTUCVWOAMMFE-GFCCVEGCSA-N 0 3 280.324 1.942 20 5 CDBDHN CC(C)C1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000619506658 345779951 /nfs/dbraw/zinc/77/99/51/345779951.db2.gz BBADPMVIMVTSMS-AWEZNQCLSA-N 0 3 294.351 1.922 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCN(C2CCCCC2)CC1 ZINC000610808777 346440826 /nfs/dbraw/zinc/44/08/26/346440826.db2.gz IGROTXCYFOSSMP-UHFFFAOYSA-N 0 3 293.371 1.783 20 5 CDBDHN Cc1c(CNC(=O)[C@@H](N)CC(F)F)cccc1[N+](=O)[O-] ZINC000312438687 350770265 /nfs/dbraw/zinc/77/02/65/350770265.db2.gz ITECZXHICPIDNS-VIFPVBQESA-N 0 3 287.266 1.502 20 5 CDBDHN Cc1cc(C(=O)NC2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000123082973 187070639 /nfs/dbraw/zinc/07/06/39/187070639.db2.gz UJYWJFYAQNKVPS-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CCN(CCOc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000292077372 198155189 /nfs/dbraw/zinc/15/51/89/198155189.db2.gz DHCUQMLYFHBNBA-LLVKDONJSA-N 0 3 268.313 1.676 20 5 CDBDHN C[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000272990613 192010576 /nfs/dbraw/zinc/01/05/76/192010576.db2.gz QDIYXOYZNAWTFA-HNNXBMFYSA-N 0 3 291.351 1.786 20 5 CDBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@](C)(O)CN(C)C ZINC000286366284 356268980 /nfs/dbraw/zinc/26/89/80/356268980.db2.gz XLICEFGWUFDQPI-AWEZNQCLSA-N 0 3 295.339 1.522 20 5 CDBDHN CCCC[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236800900 140246484 /nfs/dbraw/zinc/24/64/84/140246484.db2.gz SKJGKRGBPYUVOY-LBPRGKRZSA-N 0 3 279.340 1.771 20 5 CDBDHN CCN1C[C@@H](C)N(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000331338850 357561149 /nfs/dbraw/zinc/56/11/49/357561149.db2.gz JNMKXOSHURGFOH-PHIMTYICSA-N 0 3 281.360 1.243 20 5 CDBDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000408052929 357795416 /nfs/dbraw/zinc/79/54/16/357795416.db2.gz WKZNRLXJZHZZSS-GWCFXTLKSA-N 0 3 292.339 1.479 20 5 CDBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408070037 357805108 /nfs/dbraw/zinc/80/51/08/357805108.db2.gz DSQOQLKCFHHPPE-PWSUYJOCSA-N 0 3 292.339 1.622 20 5 CDBDHN CN(C)C[C@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476202 357821386 /nfs/dbraw/zinc/82/13/86/357821386.db2.gz UMPXVMYAOGAFKA-ZWNOBZJWSA-N 0 3 279.340 1.094 20 5 CDBDHN CN(C)C[C@@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476195 357821510 /nfs/dbraw/zinc/82/15/10/357821510.db2.gz UMPXVMYAOGAFKA-GWCFXTLKSA-N 0 3 279.340 1.094 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286889910 358022583 /nfs/dbraw/zinc/02/25/83/358022583.db2.gz GEUJXCKRPOYPRA-VIFPVBQESA-N 0 3 251.286 1.275 20 5 CDBDHN COCCOC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296221377 199822829 /nfs/dbraw/zinc/82/28/29/199822829.db2.gz GUJDDVQNBDLYEQ-BXUZGUMPSA-N 0 3 298.339 1.269 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CN(C)C ZINC000287462566 358657549 /nfs/dbraw/zinc/65/75/49/358657549.db2.gz HCTGPNDKCUWTPV-JTQLQIEISA-N 0 3 280.328 1.975 20 5 CDBDHN C[C@@H]1[C@H](C)SCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000176248881 358750615 /nfs/dbraw/zinc/75/06/15/358750615.db2.gz HRJCDHVWERQQGB-ZJUUUORDSA-N 0 3 270.358 1.617 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000451700564 359071853 /nfs/dbraw/zinc/07/18/53/359071853.db2.gz XVODCFOIYZWUMU-DYEKYZERSA-N 0 3 294.355 1.274 20 5 CDBDHN CCC(CC)(CCO)NCc1c([N+](=O)[O-])ncn1C ZINC000338380124 359126314 /nfs/dbraw/zinc/12/63/14/359126314.db2.gz RCYSBYCZRWDCDQ-UHFFFAOYSA-N 0 3 270.333 1.359 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CCCO3)CC2)n1 ZINC000339131433 359296790 /nfs/dbraw/zinc/29/67/90/359296790.db2.gz IHIXUCDHPRFILL-GFCCVEGCSA-N 0 3 280.328 1.607 20 5 CDBDHN O=[N+]([O-])c1ccc(CN(CCO)C2CCC2)cc1 ZINC000221173623 359487128 /nfs/dbraw/zinc/48/71/28/359487128.db2.gz NAJSYTUQUMFLQJ-UHFFFAOYSA-N 0 3 250.298 1.942 20 5 CDBDHN Cc1nc(N(C)[C@H]2CCN(C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297359063 200161757 /nfs/dbraw/zinc/16/17/57/200161757.db2.gz BWFBKXVUNCMXPN-ONGXEEELSA-N 0 3 279.344 1.470 20 5 CDBDHN C[C@@H](CC(N)=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135716391 359951017 /nfs/dbraw/zinc/95/10/17/359951017.db2.gz GVIOLWCUIJYEQK-IUCAKERBSA-N 0 3 251.286 1.509 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@]2(O)CCSC2)cs1 ZINC000176752842 189007761 /nfs/dbraw/zinc/00/77/61/189007761.db2.gz BINNDFLTEXYGQO-SNVBAGLBSA-N 0 3 274.367 1.614 20 5 CDBDHN CC(C)(CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCCCC1 ZINC000575070669 360778555 /nfs/dbraw/zinc/77/85/55/360778555.db2.gz GTDNGJIOLRDZKB-UHFFFAOYSA-N 0 3 295.343 1.312 20 5 CDBDHN C[C@]1(C(N)=O)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000280413550 364853617 /nfs/dbraw/zinc/85/36/17/364853617.db2.gz YQKLTWTWVVVRDI-ZDUSSCGKSA-N 0 3 263.297 1.292 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N(C)C ZINC000168611605 364995335 /nfs/dbraw/zinc/99/53/35/364995335.db2.gz VBJVSDOUWZHHRV-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122188308 366928950 /nfs/dbraw/zinc/92/89/50/366928950.db2.gz OGSSDKPHFHCVEG-UHFFFAOYSA-N 0 3 292.339 1.171 20 5 CDBDHN CS[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000271117099 366969632 /nfs/dbraw/zinc/96/96/32/366969632.db2.gz RBAOQKSDXQFGSO-WDEREUQCSA-N 0 3 296.396 1.780 20 5 CDBDHN Cc1nc(N2CC[C@@H]3CCN(C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000272258582 367571102 /nfs/dbraw/zinc/57/11/02/367571102.db2.gz ZPZYGOKGKHWGQD-WCQYABFASA-N 0 3 276.340 1.829 20 5 CDBDHN N[C@H](CC1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001580122168 1172354826 /nfs/dbraw/zinc/35/48/26/1172354826.db2.gz OPKLIKATLMVDIG-CYBMUJFWSA-N 0 3 293.323 1.217 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCOCCO)CCCC2 ZINC000417323721 242423994 /nfs/dbraw/zinc/42/39/94/242423994.db2.gz OXQMVEYXYDKOSV-HNNXBMFYSA-N 0 3 294.351 1.961 20 5 CDBDHN CCN1CCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000054613250 367729352 /nfs/dbraw/zinc/72/93/52/367729352.db2.gz DWARFIZHANVIFV-NSHDSACASA-N 0 3 250.302 1.886 20 5 CDBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272740372 367814072 /nfs/dbraw/zinc/81/40/72/367814072.db2.gz MTLWEEAWDIHLBP-LLVKDONJSA-N 0 3 289.335 1.975 20 5 CDBDHN Nc1nc(N[C@@H]2CCN(C3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000301190521 368338128 /nfs/dbraw/zinc/33/81/28/368338128.db2.gz MARSGUPXATYZMG-SECBINFHSA-N 0 3 292.343 1.396 20 5 CDBDHN Cc1cc(N(C)C[C@H]2CCCN2C)ncc1[N+](=O)[O-] ZINC000420643898 244306952 /nfs/dbraw/zinc/30/69/52/244306952.db2.gz XSTBAFMQDIRHNK-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN Cc1nc(NC[C@H]2CCCN2C)ncc1[N+](=O)[O-] ZINC000295627950 370526867 /nfs/dbraw/zinc/52/68/67/370526867.db2.gz XAZOPKBEUANZAS-SECBINFHSA-N 0 3 251.290 1.199 20 5 CDBDHN CCN(CCOC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269621845 373165027 /nfs/dbraw/zinc/16/50/27/373165027.db2.gz BARRVTJTLINOMQ-CYBMUJFWSA-N 0 3 268.313 1.597 20 5 CDBDHN CC[C@H](N)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121820696 373234443 /nfs/dbraw/zinc/23/44/43/373234443.db2.gz HTKZAOVNRTXSSC-ONGXEEELSA-N 0 3 265.313 1.818 20 5 CDBDHN CO[C@@H](CN)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423724779 246004501 /nfs/dbraw/zinc/00/45/01/246004501.db2.gz NMGZLIGCMAUSHY-ZDUSSCGKSA-N 0 3 293.323 1.060 20 5 CDBDHN Cc1c(C(=O)NC[C@@H]2C[C@H](F)CN2)cccc1[N+](=O)[O-] ZINC000368646850 374321623 /nfs/dbraw/zinc/32/16/23/374321623.db2.gz LCBKDTPKGHKORU-UWVGGRQHSA-N 0 3 281.287 1.333 20 5 CDBDHN CCOC[C@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000069278406 374540974 /nfs/dbraw/zinc/54/09/74/374540974.db2.gz YJIDBNDILHQQDS-LLVKDONJSA-N 0 3 254.286 1.082 20 5 CDBDHN Cc1ccnc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000070496312 374664177 /nfs/dbraw/zinc/66/41/77/374664177.db2.gz VWNDVYVHPVSLLO-UHFFFAOYSA-N 0 3 250.302 1.806 20 5 CDBDHN CCN1C[C@@H](NC/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000449518942 374816129 /nfs/dbraw/zinc/81/61/29/374816129.db2.gz OZOUPXYVFOQHAD-IYNGYCSASA-N 0 3 289.335 1.818 20 5 CDBDHN CC(C)N(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000330554856 374864721 /nfs/dbraw/zinc/86/47/21/374864721.db2.gz VHHWMXMTYDCRJR-UHFFFAOYSA-N 0 3 282.344 1.346 20 5 CDBDHN C[C@@]1(C(N)=O)CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000280355619 374994193 /nfs/dbraw/zinc/99/41/93/374994193.db2.gz UBAPEQXQLAHPHS-CYBMUJFWSA-N 0 3 263.297 1.292 20 5 CDBDHN CC[C@H](N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603223782 375545022 /nfs/dbraw/zinc/54/50/22/375545022.db2.gz ITIGQRMEIXUIOA-JTQLQIEISA-N 0 3 279.275 1.784 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](COC(F)F)C2)n1 ZINC000353024826 375566367 /nfs/dbraw/zinc/56/63/67/375566367.db2.gz QFNGOMHMLKTKOX-SECBINFHSA-N 0 3 290.270 1.352 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(N)C(F)(F)F ZINC000353162279 375582250 /nfs/dbraw/zinc/58/22/50/375582250.db2.gz GGJRNOOVOVHJFA-SECBINFHSA-N 0 3 291.229 1.443 20 5 CDBDHN CNC(=O)CCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344896639 375648006 /nfs/dbraw/zinc/64/80/06/375648006.db2.gz ZDWFNCPCAFUTKK-DHZHZOJOSA-N 0 3 277.324 1.724 20 5 CDBDHN CC(COC(=O)CCNC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496347108 375736443 /nfs/dbraw/zinc/73/64/43/375736443.db2.gz WAMXPKOJYUCKQE-QMMMGPOBSA-N 0 3 276.289 1.110 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H](CCO)C1CCCCC1 ZINC000355011349 375768498 /nfs/dbraw/zinc/76/84/98/375768498.db2.gz KMYULIBNYCPIPX-GFCCVEGCSA-N 0 3 296.371 1.749 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)CC1(O)CCCC1 ZINC000269850681 375806227 /nfs/dbraw/zinc/80/62/27/375806227.db2.gz XTPCURMFEZFSNO-UHFFFAOYSA-N 0 3 268.317 1.028 20 5 CDBDHN CN(C)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000356280272 375831151 /nfs/dbraw/zinc/83/11/51/375831151.db2.gz MLRNIKLJNXIMIN-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN CNC(=O)c1ccc(NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000140015013 376255484 /nfs/dbraw/zinc/25/54/84/376255484.db2.gz VPPQMCZTEDPHOR-LLVKDONJSA-N 0 3 292.339 1.461 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCCC(=O)N1 ZINC000433195263 248007416 /nfs/dbraw/zinc/00/74/16/248007416.db2.gz SNMQXKAADXENFO-LBPRGKRZSA-N 0 3 277.324 1.662 20 5 CDBDHN CCOC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173439363 378399778 /nfs/dbraw/zinc/39/97/78/378399778.db2.gz BVXIWJNCPLVTRT-ZWNOBZJWSA-N 0 3 268.313 1.643 20 5 CDBDHN COC[C@@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278677843 194099837 /nfs/dbraw/zinc/09/98/37/194099837.db2.gz JOXVQTYBTLRREN-JSGCOSHPSA-N 0 3 280.324 1.569 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN[C@H]2CNCCC2(F)F)cc1 ZINC001580875046 1172557529 /nfs/dbraw/zinc/55/75/29/1172557529.db2.gz VUJFGSKQVBXWBM-LBPRGKRZSA-N 0 3 285.294 1.724 20 5 CDBDHN CN1CCC[C@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491875255 253110098 /nfs/dbraw/zinc/11/00/98/253110098.db2.gz XUKLIRBSWAZVBI-YXVBKTCISA-N 0 3 289.335 1.818 20 5 CDBDHN COCCN(CCN(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000289398927 197328794 /nfs/dbraw/zinc/32/87/94/197328794.db2.gz GDDZZRSKIXYWRC-UHFFFAOYSA-N 0 3 281.356 1.605 20 5 CDBDHN C[C@@H]1C[C@@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000340914404 390972495 /nfs/dbraw/zinc/97/24/95/390972495.db2.gz RPKXOCWCKYEYSC-ZWNOBZJWSA-N 0 3 250.298 1.592 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000452112960 391043862 /nfs/dbraw/zinc/04/38/62/391043862.db2.gz HPFZEDRRASCPLO-LLVKDONJSA-N 0 3 281.360 1.243 20 5 CDBDHN C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000415631381 391470064 /nfs/dbraw/zinc/47/00/64/391470064.db2.gz MPLPMEHLPZMEDC-IUCAKERBSA-N 0 3 296.302 1.948 20 5 CDBDHN CC1(C)[C@H](O)C[C@@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000129631029 391601073 /nfs/dbraw/zinc/60/10/73/391601073.db2.gz VZHAZAIIMJFTCP-QWHCGFSZSA-N 0 3 280.324 1.723 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCNC1=O ZINC000449073904 391677905 /nfs/dbraw/zinc/67/79/05/391677905.db2.gz JOJCDANUILZEQH-WCQYABFASA-N 0 3 291.351 1.784 20 5 CDBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000519629739 391747224 /nfs/dbraw/zinc/74/72/24/391747224.db2.gz KLDINHGBXWBOBP-SECBINFHSA-N 0 3 268.292 1.883 20 5 CDBDHN C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CO ZINC000190360283 130095010 /nfs/dbraw/zinc/09/50/10/130095010.db2.gz ZFTZLXHMFAOFCA-BXUZGUMPSA-N 0 3 280.324 1.676 20 5 CDBDHN COCCN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000054353721 391830177 /nfs/dbraw/zinc/83/01/77/391830177.db2.gz SQNICFVUHZTRLO-UHFFFAOYSA-N 0 3 295.339 1.810 20 5 CDBDHN CO[C@]1(C)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000348223328 391830633 /nfs/dbraw/zinc/83/06/33/391830633.db2.gz GDQAGLHPYMQQQF-GFCCVEGCSA-N 0 3 268.317 1.292 20 5 CDBDHN Cc1sc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000237696132 131052928 /nfs/dbraw/zinc/05/29/28/131052928.db2.gz WEVRVQMKZGTGFW-UHFFFAOYSA-N 0 3 269.326 1.400 20 5 CDBDHN Cc1nc(N(C)[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-] ZINC000268520115 132020619 /nfs/dbraw/zinc/02/06/19/132020619.db2.gz UVFILGNFKFEIRJ-NSHDSACASA-N 0 3 264.329 1.829 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](N)C(C)(C)C ZINC000429979516 393089303 /nfs/dbraw/zinc/08/93/03/393089303.db2.gz ZISKFHWNCHXCJI-GFCCVEGCSA-N 0 3 295.339 1.593 20 5 CDBDHN C[C@H](NC[C@H]1CN(C)CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000068802079 393057461 /nfs/dbraw/zinc/05/74/61/393057461.db2.gz DNBZWBQBXXUICB-WFASDCNBSA-N 0 3 292.383 1.491 20 5 CDBDHN COC[C@@H](CCO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532516507 393074352 /nfs/dbraw/zinc/07/43/52/393074352.db2.gz BYSYFAGXFZHZDP-VXGBXAGGSA-N 0 3 282.340 1.951 20 5 CDBDHN COC[C@H](CCO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532516506 393074778 /nfs/dbraw/zinc/07/47/78/393074778.db2.gz BYSYFAGXFZHZDP-RYUDHWBXSA-N 0 3 282.340 1.951 20 5 CDBDHN Cc1ccc(C(=O)N[C@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449654694 393137247 /nfs/dbraw/zinc/13/72/47/393137247.db2.gz FINUKLGKUPVBOE-NSHDSACASA-N 0 3 299.277 1.630 20 5 CDBDHN CN(C)CC1(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000281016447 393154379 /nfs/dbraw/zinc/15/43/79/393154379.db2.gz GEERAUVGAHTQKZ-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN C[C@@H]1OCC[C@]1(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494226629 393228980 /nfs/dbraw/zinc/22/89/80/393228980.db2.gz IYYHUANPBZBGKZ-HZMBPMFUSA-N 0 3 293.323 1.690 20 5 CDBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cn2)CCCN1C ZINC000343483238 152197716 /nfs/dbraw/zinc/19/77/16/152197716.db2.gz UYXQDGMRVAPAGO-MWLCHTKSSA-N 0 3 250.302 1.884 20 5 CDBDHN Cc1c(CC(=O)N[C@H](C)CN(C)C)cccc1[N+](=O)[O-] ZINC000346273535 153120286 /nfs/dbraw/zinc/12/02/86/153120286.db2.gz SCXXGYHILTVYHS-SNVBAGLBSA-N 0 3 279.340 1.512 20 5 CDBDHN O=C1C[C@@]2(CN1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000353734620 156048323 /nfs/dbraw/zinc/04/83/23/156048323.db2.gz AGUCDJZEABINFU-OAHLLOKOSA-N 0 3 289.335 1.697 20 5 CDBDHN Cc1c(CNC(=O)N(C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000359540189 158281646 /nfs/dbraw/zinc/28/16/46/158281646.db2.gz GPPRNNIYKVCIAU-UHFFFAOYSA-N 0 3 294.355 1.606 20 5 CDBDHN COCCOCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285446801 196286875 /nfs/dbraw/zinc/28/68/75/196286875.db2.gz YBQDZWHKANEVSQ-UHFFFAOYSA-N 0 3 282.340 1.732 20 5 CDBDHN CO[C@@H](C)CN(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285569990 196330959 /nfs/dbraw/zinc/33/09/59/196330959.db2.gz HOZUTKBKDVREFX-RYUDHWBXSA-N 0 3 298.339 1.301 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676248 174373659 /nfs/dbraw/zinc/37/36/59/174373659.db2.gz NHKRCKWGNRXRJB-CYBMUJFWSA-N 0 3 279.340 1.627 20 5 CDBDHN CN(C(=O)c1csc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000044821094 175258557 /nfs/dbraw/zinc/25/85/57/175258557.db2.gz RQVXHGZGGPISPY-UHFFFAOYSA-N 0 3 283.353 1.823 20 5 CDBDHN COc1ccc(CNCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000044992589 175286843 /nfs/dbraw/zinc/28/68/43/175286843.db2.gz ZEUVOIJPKMOQQZ-UHFFFAOYSA-N 0 3 281.312 1.171 20 5 CDBDHN CC[C@H](NC[C@H](O)COC)c1cccc([N+](=O)[O-])c1 ZINC000071270544 176104032 /nfs/dbraw/zinc/10/40/32/176104032.db2.gz VLCDRUIJLIRHQL-STQMWFEESA-N 0 3 268.313 1.643 20 5 CDBDHN CNc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000517932937 260320303 /nfs/dbraw/zinc/32/03/03/260320303.db2.gz XWAWUUZDLSYBHB-NXEZZACHSA-N 0 3 292.339 1.459 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@]1(O)CCOC1 ZINC000516583623 270481747 /nfs/dbraw/zinc/48/17/47/270481747.db2.gz DOPVDZHQCJTDGP-TZMCWYRMSA-N 0 3 278.308 1.323 20 5 CDBDHN COc1cc(N2CCNC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000227856450 274096464 /nfs/dbraw/zinc/09/64/64/274096464.db2.gz MAZZHSZQBHNJJX-UHFFFAOYSA-N 0 3 283.303 1.931 20 5 CDBDHN O=[N+]([O-])c1cnc(NC2CCN([C@@H]3CCOC3)CC2)nc1 ZINC000368187788 275041189 /nfs/dbraw/zinc/04/11/89/275041189.db2.gz ITYJBRLBFJVVOW-LLVKDONJSA-N 0 3 293.327 1.050 20 5 CDBDHN CC[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)N1CCCC1 ZINC000301302510 276425369 /nfs/dbraw/zinc/42/53/69/276425369.db2.gz WAGGXCFIYXVLLJ-NSHDSACASA-N 0 3 281.360 1.923 20 5 CDBDHN CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])n2C)CCC1 ZINC000351625006 276781664 /nfs/dbraw/zinc/78/16/64/276781664.db2.gz RPHHCEXPAMPKBU-UHFFFAOYSA-N 0 3 280.328 1.147 20 5 CDBDHN CN(C)CC1(Nc2ncc([N+](=O)[O-])cn2)CCC1 ZINC000281880823 276782505 /nfs/dbraw/zinc/78/25/05/276782505.db2.gz OAUSGQUFVQVHGS-UHFFFAOYSA-N 0 3 251.290 1.281 20 5 CDBDHN COCCN(CCO)CCc1ccc([N+](=O)[O-])cc1 ZINC000114562805 277216678 /nfs/dbraw/zinc/21/66/78/277216678.db2.gz FNVLSUVVNNHXNC-UHFFFAOYSA-N 0 3 268.313 1.078 20 5 CDBDHN C[C@@H](CN(C)C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000286246921 278240064 /nfs/dbraw/zinc/24/00/64/278240064.db2.gz CAXNAEDVZJKSRK-VIFPVBQESA-N 0 3 264.329 1.925 20 5 CDBDHN C[C@@H](NCCn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000268814362 278349384 /nfs/dbraw/zinc/34/93/84/278349384.db2.gz JURBDYRTZXWOQF-SNVBAGLBSA-N 0 3 261.285 1.537 20 5 CDBDHN C[C@@H]1[C@@H](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551670 279279324 /nfs/dbraw/zinc/27/93/24/279279324.db2.gz SVCGOLMPXGARML-WDEREUQCSA-N 0 3 265.313 1.487 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000108336194 279305041 /nfs/dbraw/zinc/30/50/41/279305041.db2.gz QBGKSKDMGUVSOJ-LBPRGKRZSA-N 0 3 291.351 1.595 20 5 CDBDHN CN1CCC[C@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000108336191 279305147 /nfs/dbraw/zinc/30/51/47/279305147.db2.gz QBGKSKDMGUVSOJ-GFCCVEGCSA-N 0 3 291.351 1.595 20 5 CDBDHN CN(C)C(=O)C(C)(C)NCCOc1cccc([N+](=O)[O-])c1 ZINC000114458102 279338597 /nfs/dbraw/zinc/33/85/97/279338597.db2.gz HAIPUFCYYTYYES-UHFFFAOYSA-N 0 3 295.339 1.430 20 5 CDBDHN C[C@H](CNCCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000560343018 293022866 /nfs/dbraw/zinc/02/28/66/293022866.db2.gz VSRNJJSYLXQEKX-SNVBAGLBSA-N 0 3 286.353 1.160 20 5 CDBDHN CN(C)[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255770617 289386073 /nfs/dbraw/zinc/38/60/73/289386073.db2.gz IYMWEFCPKMBCND-LMVHVUTASA-N 0 3 289.335 1.771 20 5 CDBDHN C[C@@H]1OCC[C@]1(O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567486432 293793967 /nfs/dbraw/zinc/79/39/67/293793967.db2.gz JPRVGFHMFHOPTH-XEGUGMAKSA-N 0 3 292.335 1.712 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN(C)C ZINC000192889984 323523579 /nfs/dbraw/zinc/52/35/79/323523579.db2.gz KWOGXWJNFCJEAL-UHFFFAOYSA-N 0 3 251.286 1.195 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582718842 325030049 /nfs/dbraw/zinc/03/00/49/325030049.db2.gz CTYDDHYJORLGTJ-CQDKDKBSSA-N 0 3 293.367 1.571 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050708057 523841348 /nfs/dbraw/zinc/84/13/48/523841348.db2.gz OLGZGQISOSIYAH-SNVBAGLBSA-N 0 3 292.339 1.249 20 5 CDBDHN CCCc1n[nH]c(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1[N+](=O)[O-] ZINC000153949890 528546612 /nfs/dbraw/zinc/54/66/12/528546612.db2.gz AHZPLRZQHWECIH-RKDXNWHRSA-N 0 3 295.343 1.093 20 5 CDBDHN CCCc1[nH]nc(C(=O)N2C[C@@H](C)N[C@H](C)C2)c1[N+](=O)[O-] ZINC000153949890 528546615 /nfs/dbraw/zinc/54/66/15/528546615.db2.gz AHZPLRZQHWECIH-RKDXNWHRSA-N 0 3 295.343 1.093 20 5 CDBDHN CC[C@@H](CO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000727060813 574540154 /nfs/dbraw/zinc/54/01/54/574540154.db2.gz VVVPMINUQNNERJ-QMMMGPOBSA-N 0 3 264.285 1.332 20 5 CDBDHN C[C@H]1CCCN1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000744344908 576675755 /nfs/dbraw/zinc/67/57/55/576675755.db2.gz HPZDNADBENMTRX-LBPRGKRZSA-N 0 3 291.351 1.738 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN[C@H](CCO)c2cccs2)c1 ZINC000754381674 576894049 /nfs/dbraw/zinc/89/40/49/576894049.db2.gz DNLSPULXOKOABG-LLVKDONJSA-N 0 3 296.352 1.566 20 5 CDBDHN COc1cc([N+](=O)[O-])cnc1NC1CCN(C)CC1 ZINC000891573957 617484817 /nfs/dbraw/zinc/48/48/17/617484817.db2.gz VJPOHYZOZFXQLS-UHFFFAOYSA-N 0 3 266.301 1.505 20 5 CDBDHN O=C(CCN1CC[C@@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000934017571 617855701 /nfs/dbraw/zinc/85/57/01/617855701.db2.gz SIZNWZGWTQYANL-SNVBAGLBSA-N 0 3 297.286 1.129 20 5 CDBDHN CC(COC(=O)c1c2c(nn1C)CCSC2)[N+](=O)[O-] ZINC000893048193 618100256 /nfs/dbraw/zinc/10/02/56/618100256.db2.gz RUDNFJLZXDDZHI-ZETCQYMHSA-N 0 3 285.325 1.031 20 5 CDBDHN NOCCCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000904456416 626301463 /nfs/dbraw/zinc/30/14/63/626301463.db2.gz HHBYUDZSEFRZIH-UHFFFAOYSA-N 0 3 291.254 1.566 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccn(-c2ccccc2)n1 ZINC000905080185 626393820 /nfs/dbraw/zinc/39/38/20/626393820.db2.gz LEQUELIPVNXYKP-UHFFFAOYSA-N 0 3 260.297 1.281 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccccc1OC(F)(F)F ZINC000905162329 626673199 /nfs/dbraw/zinc/67/31/99/626673199.db2.gz VSCHIEPTAZDDDF-UHFFFAOYSA-N 0 3 278.230 1.994 20 5 CDBDHN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCC[N+](=O)[O-] ZINC000905264769 626713634 /nfs/dbraw/zinc/71/36/34/626713634.db2.gz YBUZYJCOPPBRRA-UWVGGRQHSA-N 0 3 291.323 1.200 20 5 CDBDHN CC[C@H](C)N[C@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905294829 626723639 /nfs/dbraw/zinc/72/36/39/626723639.db2.gz LIJLVARBGUMTSH-WDEREUQCSA-N 0 3 255.318 1.575 20 5 CDBDHN CC[C@H](C)N[C@@H](CNCC[N+](=O)[O-])c1ccco1 ZINC000905294828 626723855 /nfs/dbraw/zinc/72/38/55/626723855.db2.gz LIJLVARBGUMTSH-QWRGUYRKSA-N 0 3 255.318 1.575 20 5 CDBDHN O=[N+]([O-])CCNC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000905367765 626786322 /nfs/dbraw/zinc/78/63/22/626786322.db2.gz VCRQLSVGCKWKKY-OLZOCXBDSA-N 0 3 268.288 1.158 20 5 CDBDHN O=[N+]([O-])c1cnn(CN2CCN(C3CCCC3)CC2)c1 ZINC000914568512 631517124 /nfs/dbraw/zinc/51/71/24/631517124.db2.gz SBXHMFMURJEJEW-UHFFFAOYSA-N 0 3 279.344 1.309 20 5 CDBDHN CN1CC[C@H](Nc2ccc3nsnc3c2[N+](=O)[O-])C1 ZINC001167278560 1158556041 /nfs/dbraw/zinc/55/60/41/1158556041.db2.gz MBOQGLXJCPGNFV-ZETCQYMHSA-N 0 3 279.325 1.716 20 5 CDBDHN COc1cccc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170567607 1162940012 /nfs/dbraw/zinc/94/00/12/1162940012.db2.gz KUEMSUSLUMROQX-SKDRFNHKSA-N 0 3 281.312 1.392 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CNCCO2)n1 ZINC001170569473 1162948398 /nfs/dbraw/zinc/94/83/98/1162948398.db2.gz SIKMFRSVZIAACH-GXSJLCMTSA-N 0 3 266.301 1.087 20 5 CDBDHN Cc1c(N[C@@H](C)[C@H]2CNCCO2)cc(F)cc1[N+](=O)[O-] ZINC001170567783 1162949873 /nfs/dbraw/zinc/94/98/73/1162949873.db2.gz LUWBTGQVDZWAQN-TVQRCGJNSA-N 0 3 283.303 1.831 20 5 CDBDHN Cc1cnc(N[C@H](C)[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170571053 1162958680 /nfs/dbraw/zinc/95/86/80/1162958680.db2.gz XUSVOQBVVBCXRQ-KOLCDFICSA-N 0 3 266.301 1.087 20 5 CDBDHN CCN1CCC(Oc2nc(OC)ccc2[N+](=O)[O-])CC1 ZINC001234880208 1161145611 /nfs/dbraw/zinc/14/56/11/1161145611.db2.gz YQOVEBCEEILODG-UHFFFAOYSA-N 0 3 281.312 1.862 20 5 CDBDHN CO[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000831535741 736616581 /nfs/dbraw/zinc/61/65/81/736616581.db2.gz ZJECXRDCRVGVDN-KCPJHIHWSA-N 0 3 294.351 1.985 20 5 CDBDHN O=[N+]([O-])c1c(F)nccc1N1CC[C@@H](N2CCCC2)C1 ZINC000881907933 736630645 /nfs/dbraw/zinc/63/06/45/736630645.db2.gz IEAVYBMTUBVDKB-SNVBAGLBSA-N 0 3 280.303 1.803 20 5 CDBDHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCC[N+](=O)[O-])C1(C)C ZINC000930879018 736632119 /nfs/dbraw/zinc/63/21/19/736632119.db2.gz GWTOHRAPFLPXSR-VHSXEESVSA-N 0 3 287.360 1.545 20 5 CDBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3[C@H](O)CC[C@@H]3C2)c1 ZINC000712287982 736823291 /nfs/dbraw/zinc/82/32/91/736823291.db2.gz GCMFZXXKVSYUAM-KWCYVHTRSA-N 0 3 262.309 1.798 20 5 CDBDHN CC(COC(=O)C1CCC(C(=O)N(C)C)CC1)[N+](=O)[O-] ZINC000851036776 737452585 /nfs/dbraw/zinc/45/25/85/737452585.db2.gz MXRLYZLTOYONCA-WHXUTIOJSA-N 0 3 286.328 1.089 20 5 CDBDHN CC(=O)NCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813105402 738388606 /nfs/dbraw/zinc/38/86/06/738388606.db2.gz YVERQSKVMLNEHL-SECBINFHSA-N 0 3 280.280 1.145 20 5 CDBDHN CCn1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000819305175 738688698 /nfs/dbraw/zinc/68/86/98/738688698.db2.gz HDOQBIRSNBLVQW-CQSZACIVSA-N 0 3 290.323 1.634 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](CF)C2)n1 ZINC000880235079 738874601 /nfs/dbraw/zinc/87/46/01/738874601.db2.gz YBQLVWRITDQNOT-JTQLQIEISA-N 0 3 256.281 1.473 20 5 CDBDHN N[C@@H](CC1CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000311350840 738923254 /nfs/dbraw/zinc/92/32/54/738923254.db2.gz LTWTYNZQMDPKAE-LBPRGKRZSA-N 0 3 263.297 1.338 20 5 CDBDHN CC(COC(=O)c1cc(-c2ccccc2)nn1C)[N+](=O)[O-] ZINC000835453306 736591801 /nfs/dbraw/zinc/59/18/01/736591801.db2.gz ACEWHPVXSJJXCY-SNVBAGLBSA-N 0 3 289.291 1.909 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CCOCCO ZINC000877503059 736617141 /nfs/dbraw/zinc/61/71/41/736617141.db2.gz ZVWYVITYMRVLPE-UHFFFAOYSA-N 0 3 282.340 1.652 20 5 CDBDHN C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[C@H]1O ZINC000778256246 736800722 /nfs/dbraw/zinc/80/07/22/736800722.db2.gz ZJNLRZHIHIOUQT-LERXQTSPSA-N 0 3 280.324 1.331 20 5 CDBDHN CC(COC(=O)c1ccccc1Cn1cncn1)[N+](=O)[O-] ZINC000813105782 736875119 /nfs/dbraw/zinc/87/51/19/736875119.db2.gz ULSWSAVLRLWGJY-SNVBAGLBSA-N 0 3 290.279 1.148 20 5 CDBDHN CN1CC[C@@H]1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000922574302 736944112 /nfs/dbraw/zinc/94/41/12/736944112.db2.gz LBUFCDORQZLKSC-LLVKDONJSA-N 0 3 293.323 1.160 20 5 CDBDHN CN(CC1=CCCOC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852519336 737644594 /nfs/dbraw/zinc/64/45/94/737644594.db2.gz ZDKLIVUOQOWDDO-HNNXBMFYSA-N 0 3 292.335 1.907 20 5 CDBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001122475870 913760273 /nfs/dbraw/zinc/76/02/73/913760273.db2.gz ABRVZAJQCCIELN-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN O=C(CC1CCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001125271407 893951807 /nfs/dbraw/zinc/95/18/07/893951807.db2.gz XUOOXAWLYMRTGP-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN NCc1nn(-c2cnc(F)c([N+](=O)[O-])c2)c2ccccc12 ZINC001167697752 898577954 /nfs/dbraw/zinc/57/79/54/898577954.db2.gz DZWAVRPKGPGGIQ-UHFFFAOYSA-N 0 3 287.254 1.927 20 5 CDBDHN COC(=O)c1ccc(CC(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000835456169 924690102 /nfs/dbraw/zinc/69/01/02/924690102.db2.gz SDWGEEFKNYZXBL-VIFPVBQESA-N 0 3 281.264 1.224 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@H](F)C[C@H](CO)C2)C1 ZINC001169006006 927607639 /nfs/dbraw/zinc/60/76/39/927607639.db2.gz FDNANJPNVGNLMU-KXNHARMFSA-N 0 3 260.309 1.084 20 5 CDBDHN CCCc1cc(CN)nn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987903 927624807 /nfs/dbraw/zinc/62/48/07/927624807.db2.gz LEZMFTMBTNJZTG-GXFFZTMASA-N 0 3 266.345 1.912 20 5 CDBDHN O=c1[nH]ccc2c1CCN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169047430 927665215 /nfs/dbraw/zinc/66/52/15/927665215.db2.gz QYNWVVXVAMLBKS-JQWIXIFHSA-N 0 3 277.324 1.591 20 5 CDBDHN NCc1cnnn1-c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001169312084 927918718 /nfs/dbraw/zinc/91/87/18/927918718.db2.gz LOVUPVFXSFPNDN-ONEGZZNKSA-N 0 3 279.687 1.627 20 5 CDBDHN NCc1cnnn1-c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001169309326 927946490 /nfs/dbraw/zinc/94/64/90/927946490.db2.gz ARXQBNSSMVRYCZ-UHFFFAOYSA-N 0 3 287.201 1.653 20 5 CDBDHN CN(CCO)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000884823234 930637442 /nfs/dbraw/zinc/63/74/42/930637442.db2.gz PEIVBDAPBIQYHM-UHFFFAOYSA-N 0 3 273.720 1.584 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC001123500979 936171922 /nfs/dbraw/zinc/17/19/22/936171922.db2.gz CVEAVCFVDKDKGW-UHFFFAOYSA-N 0 3 289.291 1.707 20 5 CDBDHN Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCCCN1C ZINC001120972066 937851043 /nfs/dbraw/zinc/85/10/43/937851043.db2.gz LNZAKXYGICVLNO-LLVKDONJSA-N 0 3 264.329 1.616 20 5 CDBDHN NCc1cnnn1-c1nccc2cc([N+](=O)[O-])ccc21 ZINC001158426849 938623263 /nfs/dbraw/zinc/62/32/63/938623263.db2.gz HJRUDIMTAZPBNQ-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN C[C@@H](N)c1nc2ccccc2n1-c1cnc([N+](=O)[O-])cn1 ZINC001162776905 939136650 /nfs/dbraw/zinc/13/66/50/939136650.db2.gz GCQOGJLVAOABTC-MRVPVSSYSA-N 0 3 284.279 1.743 20 5 CDBDHN COC(=O)c1ccc(CO[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001223409511 941675391 /nfs/dbraw/zinc/67/53/91/941675391.db2.gz CRDFJQCKYFZOJT-GFCCVEGCSA-N 0 3 294.307 1.602 20 5 CDBDHN CN1CC[C@@H](OCC(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224987600 941811587 /nfs/dbraw/zinc/81/15/87/941811587.db2.gz SJSGGPGDYGMYHP-CYBMUJFWSA-N 0 3 294.307 1.359 20 5 CDBDHN CCN1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226733078 942060023 /nfs/dbraw/zinc/06/00/23/942060023.db2.gz GTUMFXNNMMYTER-SNVBAGLBSA-N 0 3 252.274 1.248 20 5 CDBDHN COC(=O)c1c(OC2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC001229045465 942411500 /nfs/dbraw/zinc/41/15/00/942411500.db2.gz NLFFHGFSMGTMQL-UHFFFAOYSA-N 0 3 294.307 1.854 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN2CC[C@H]2C1 ZINC001254568501 947530170 /nfs/dbraw/zinc/53/01/70/947530170.db2.gz GJLARHLDAYNHSZ-JSGCOSHPSA-N 0 3 275.352 1.916 20 5 CDBDHN CCN1C[C@H](C)N(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1C ZINC001337093126 960930320 /nfs/dbraw/zinc/93/03/20/960930320.db2.gz XSOVIFUDFJKLQC-UWVGGRQHSA-N 0 3 279.344 1.491 20 5 CDBDHN C[C@@H](NC(=O)[C@H](N)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001340989879 963225291 /nfs/dbraw/zinc/22/52/91/963225291.db2.gz HQHNJSBIMFKTCE-GMSGAONNSA-N 0 3 287.266 1.755 20 5 CDBDHN O=[N+]([O-])CCN1CCC(CCCn2ccnc2)CC1 ZINC001354591262 968787397 /nfs/dbraw/zinc/78/73/97/968787397.db2.gz OQWPOOCGBWKYEF-UHFFFAOYSA-N 0 3 266.345 1.652 20 5 CDBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000589101755 342496868 /nfs/dbraw/zinc/49/68/68/342496868.db2.gz JRIJMMMCEDYCCQ-SNVBAGLBSA-N 0 3 290.323 1.477 20 5 CDBDHN CN1CCC[C@@]2(CCN(c3cccnc3[N+](=O)[O-])C2)C1 ZINC000590141932 342522755 /nfs/dbraw/zinc/52/27/55/342522755.db2.gz OMACGFGIVOTKAB-CQSZACIVSA-N 0 3 276.340 1.912 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1COC[C@H]1O)CCC2 ZINC000601291570 342549712 /nfs/dbraw/zinc/54/97/12/342549712.db2.gz MFJBVJMFOCPDDV-HZSPNIEDSA-N 0 3 278.308 1.322 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000457197973 365634239 /nfs/dbraw/zinc/63/42/39/365634239.db2.gz AUVALLZLVAMHSK-UHFFFAOYSA-N 0 3 271.342 1.726 20 5 CDBDHN C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1 ZINC000591581767 342637942 /nfs/dbraw/zinc/63/79/42/342637942.db2.gz RFQDEZWRLVZKKZ-USWWRNFRSA-N 0 3 267.304 1.945 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593171249 342775197 /nfs/dbraw/zinc/77/51/97/342775197.db2.gz YVDDYMJTLPXQCP-UHFFFAOYSA-N 0 3 297.330 1.733 20 5 CDBDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000494255607 539113991 /nfs/dbraw/zinc/11/39/91/539113991.db2.gz BVTFMFGHLLNKJR-YMTOWFKASA-N 0 3 293.323 1.351 20 5 CDBDHN Cc1ccncc1[C@@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000611940334 346910930 /nfs/dbraw/zinc/91/09/30/346910930.db2.gz XTXHVRPXSHOAEP-LLVKDONJSA-N 0 3 275.312 1.846 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)CO ZINC000595020284 342995899 /nfs/dbraw/zinc/99/58/99/342995899.db2.gz YIBQWPJNMCWDEJ-VHSXEESVSA-N 0 3 268.313 1.882 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)CN(C)C ZINC000595019572 342995954 /nfs/dbraw/zinc/99/59/54/342995954.db2.gz RJUUKHFFNICSER-JQWIXIFHSA-N 0 3 297.355 1.177 20 5 CDBDHN C[C@@H]1CCN[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000126074815 187215303 /nfs/dbraw/zinc/21/53/03/187215303.db2.gz RQNCPBXJPYYTSS-SKDRFNHKSA-N 0 3 263.297 1.921 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000108335998 349735406 /nfs/dbraw/zinc/73/54/06/349735406.db2.gz BFBATIVMMKVGBS-NSHDSACASA-N 0 3 277.324 1.666 20 5 CDBDHN O=C1CCCN1CCNCc1ccc([N+](=O)[O-])cc1 ZINC000405388698 349787947 /nfs/dbraw/zinc/78/79/47/349787947.db2.gz HYATWWQPUKYXDI-UHFFFAOYSA-N 0 3 263.297 1.307 20 5 CDBDHN Cc1noc(CN2C[C@H]3CCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000595526504 343089409 /nfs/dbraw/zinc/08/94/09/343089409.db2.gz SRSAHGNFJKIOBK-ZJUUUORDSA-N 0 3 266.301 1.027 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](N2CCCC2)C1 ZINC000076836025 342323835 /nfs/dbraw/zinc/32/38/35/342323835.db2.gz RBWWMFAFUHSDES-LLVKDONJSA-N 0 3 279.344 1.393 20 5 CDBDHN C[N@@H+]1CCC[C@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596245333 343285662 /nfs/dbraw/zinc/28/56/62/343285662.db2.gz XBAGGRZQMCKAIC-AWEZNQCLSA-N 0 3 292.339 1.618 20 5 CDBDHN C[N@H+]1CCC[C@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596245333 343285665 /nfs/dbraw/zinc/28/56/65/343285665.db2.gz XBAGGRZQMCKAIC-AWEZNQCLSA-N 0 3 292.339 1.618 20 5 CDBDHN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596231468 343261652 /nfs/dbraw/zinc/26/16/52/343261652.db2.gz JORQUIIQJDEENQ-MNOVXSKESA-N 0 3 292.339 1.758 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000598574813 343833686 /nfs/dbraw/zinc/83/36/86/343833686.db2.gz UQLATLXSJWRUOH-LBPRGKRZSA-N 0 3 295.314 1.804 20 5 CDBDHN CCN[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600003493 344163533 /nfs/dbraw/zinc/16/35/33/344163533.db2.gz YMLDKWJIOGTOFG-VIFPVBQESA-N 0 3 251.286 1.840 20 5 CDBDHN Cn1cc(CN2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000602473580 344432358 /nfs/dbraw/zinc/43/23/58/344432358.db2.gz UYJSWDWAXHUFCB-NXEZZACHSA-N 0 3 250.302 1.560 20 5 CDBDHN CC(C)CC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000602439265 344417029 /nfs/dbraw/zinc/41/70/29/344417029.db2.gz JAMWRHNUQMZTCW-CYBMUJFWSA-N 0 3 279.340 1.975 20 5 CDBDHN CCN1C[C@H](C)N(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602802341 344591884 /nfs/dbraw/zinc/59/18/84/344591884.db2.gz ZGATXUIHIGEDBM-NEPJUHHUSA-N 0 3 295.387 1.514 20 5 CDBDHN Cn1cc(CN[C@H](CCO)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602804506 344592959 /nfs/dbraw/zinc/59/29/59/344592959.db2.gz IQGBPUDMGGZSBU-SNVBAGLBSA-N 0 3 270.333 1.215 20 5 CDBDHN CSC[C@@H]1CCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780873 344596316 /nfs/dbraw/zinc/59/63/16/344596316.db2.gz BCJCMSHGDQTRHP-NSHDSACASA-N 0 3 284.385 1.927 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCOC(C)(C)C1 ZINC000602785702 344599084 /nfs/dbraw/zinc/59/90/84/344599084.db2.gz XSLAVTVYONHSTP-UHFFFAOYSA-N 0 3 282.344 1.601 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@@H]1C1CC1 ZINC000602839192 344620689 /nfs/dbraw/zinc/62/06/89/344620689.db2.gz IYUXJKRIGFBHGT-GFCCVEGCSA-N 0 3 296.396 1.927 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1[C@@H](C)CO ZINC000602881621 344633664 /nfs/dbraw/zinc/63/36/64/344633664.db2.gz GHEYPWYHQWQDAP-AAEUAGOBSA-N 0 3 296.371 1.583 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](O)[C@@H]3CCCC[C@H]32)n1 ZINC000602998181 344683973 /nfs/dbraw/zinc/68/39/73/344683973.db2.gz YRWUDUPPCVNPRA-UPJWGTAASA-N 0 3 294.355 1.417 20 5 CDBDHN CO[C@@H](CN)C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC001579113349 1172098382 /nfs/dbraw/zinc/09/83/82/1172098382.db2.gz RMKYFEKJIBLUCD-LBPRGKRZSA-N 0 3 296.327 1.327 20 5 CDBDHN CN(C)CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273342392 192120545 /nfs/dbraw/zinc/12/05/45/192120545.db2.gz AYKPBOCWHCNVFM-UHFFFAOYSA-N 0 3 284.291 1.759 20 5 CDBDHN COc1cc(CN[C@@H]2C[NH2+]CC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC001579152853 1172108294 /nfs/dbraw/zinc/10/82/94/1172108294.db2.gz KZBXTDDFVLEZKT-CYBMUJFWSA-N 0 3 295.339 1.397 20 5 CDBDHN CCc1nn(C)c(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000091559889 180191385 /nfs/dbraw/zinc/19/13/85/180191385.db2.gz GIQPMKABDFQNPE-UHFFFAOYSA-N 0 3 267.333 1.398 20 5 CDBDHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000105871191 186081335 /nfs/dbraw/zinc/08/13/35/186081335.db2.gz MLYGSBOGPNQUBS-CMPLNLGQSA-N 0 3 287.323 1.852 20 5 CDBDHN CC(C)[C@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000312159040 350753790 /nfs/dbraw/zinc/75/37/90/350753790.db2.gz HWDRBXMSOKEPLV-ZDUSSCGKSA-N 0 3 275.312 1.890 20 5 CDBDHN CNC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000111263959 186381815 /nfs/dbraw/zinc/38/18/15/186381815.db2.gz PNIRIPVCNDLJPI-ZDUSSCGKSA-N 0 3 291.351 1.861 20 5 CDBDHN C[C@]1(O)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000124230021 187127572 /nfs/dbraw/zinc/12/75/72/187127572.db2.gz XIEKCFMIBGIALV-AWEZNQCLSA-N 0 3 280.324 1.820 20 5 CDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292102180 198163271 /nfs/dbraw/zinc/16/32/71/198163271.db2.gz GFEQTZZFVHOYCZ-OAHLLOKOSA-N 0 3 289.335 1.763 20 5 CDBDHN COCCCN(C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000152510000 188024273 /nfs/dbraw/zinc/02/42/73/188024273.db2.gz CGHNWRMPDPDEBX-UHFFFAOYSA-N 0 3 295.339 1.293 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1NC(C)(C)CN1CCCC1 ZINC000308666785 356332365 /nfs/dbraw/zinc/33/23/65/356332365.db2.gz IKNFACFAHMRENU-UHFFFAOYSA-N 0 3 267.333 1.615 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNCC1CC1 ZINC000037613142 356508246 /nfs/dbraw/zinc/50/82/46/356508246.db2.gz ULYALMWFMVLOPD-UHFFFAOYSA-N 0 3 263.297 1.841 20 5 CDBDHN C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N(C)C1CC1 ZINC000181029682 357305029 /nfs/dbraw/zinc/30/50/29/357305029.db2.gz RHWVTEZNQNYFDW-VIFPVBQESA-N 0 3 292.339 1.390 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCOCCO ZINC000337539792 358080109 /nfs/dbraw/zinc/08/01/09/358080109.db2.gz JQYTZXUEBLAPPD-JLHYYAGUSA-N 0 3 294.351 1.939 20 5 CDBDHN C[C@H]1CSC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000352815994 358940728 /nfs/dbraw/zinc/94/07/28/358940728.db2.gz MZCXEUSJFQIFDW-GXSJLCMTSA-N 0 3 295.364 1.874 20 5 CDBDHN CCNC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338358129 359118858 /nfs/dbraw/zinc/11/88/58/359118858.db2.gz WVIZMPIMZWMXRB-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN C[C@H](NC[C@@H](O)CN(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296805460 200003430 /nfs/dbraw/zinc/00/34/30/200003430.db2.gz UNCXPERCFIYRMI-XHDPSFHLSA-N 0 3 293.367 1.701 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN(C)C ZINC000348155628 360520610 /nfs/dbraw/zinc/52/06/10/360520610.db2.gz NOVXGLFZTSVHKO-SNVBAGLBSA-N 0 3 280.328 1.975 20 5 CDBDHN Cc1nc(N2CC[C@@H]3CCN(C)C[C@H]32)ncc1[N+](=O)[O-] ZINC000294860400 361492925 /nfs/dbraw/zinc/49/29/25/361492925.db2.gz CZRSWTJRLCMYHY-CMPLNLGQSA-N 0 3 277.328 1.224 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000268204355 364456041 /nfs/dbraw/zinc/45/60/41/364456041.db2.gz JLDXIYSPELGGQX-KCJUWKMLSA-N 0 3 295.364 1.869 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000249558858 364874354 /nfs/dbraw/zinc/87/43/54/364874354.db2.gz KXYDZGSUYFLPRT-DGCLKSJQSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CN1C1CC1 ZINC000440930560 367105856 /nfs/dbraw/zinc/10/58/56/367105856.db2.gz ROLARJTZDVRQEH-NXEZZACHSA-N 0 3 292.339 1.288 20 5 CDBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272740374 367813610 /nfs/dbraw/zinc/81/36/10/367813610.db2.gz MTLWEEAWDIHLBP-NSHDSACASA-N 0 3 289.335 1.975 20 5 CDBDHN CN1CC=C(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272635002 367785265 /nfs/dbraw/zinc/78/52/65/367785265.db2.gz BFUNEDZTKSQQTD-UHFFFAOYSA-N 0 3 291.311 1.373 20 5 CDBDHN Cc1c(CNC(=O)[C@@H](C)NC2CC2)cccc1[N+](=O)[O-] ZINC000383027855 368546441 /nfs/dbraw/zinc/54/64/41/368546441.db2.gz IATCYAKPYVPGHP-SNVBAGLBSA-N 0 3 277.324 1.660 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000420632980 244300278 /nfs/dbraw/zinc/30/02/78/244300278.db2.gz ILZCJBWDNFWJFN-LLVKDONJSA-N 0 3 292.339 1.224 20 5 CDBDHN CC(C)NCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766546 370079492 /nfs/dbraw/zinc/07/94/92/370079492.db2.gz LXWVRGUOGGNSIC-SNVBAGLBSA-N 0 3 265.313 1.770 20 5 CDBDHN CC[C@H](N)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121820860 373236538 /nfs/dbraw/zinc/23/65/38/373236538.db2.gz HTKZAOVNRTXSSC-KOLCDFICSA-N 0 3 265.313 1.818 20 5 CDBDHN C[C@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298966950 374280779 /nfs/dbraw/zinc/28/07/79/374280779.db2.gz ZINQVFGFKLSSNV-SNVBAGLBSA-N 0 3 280.328 1.527 20 5 CDBDHN C[C@H](CS(C)(=O)=O)NCCc1ccccc1[N+](=O)[O-] ZINC000081904046 374562275 /nfs/dbraw/zinc/56/22/75/374562275.db2.gz KQUKEGFFOWOYOQ-SNVBAGLBSA-N 0 3 286.353 1.160 20 5 CDBDHN CC(C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000081942223 374564570 /nfs/dbraw/zinc/56/45/70/374564570.db2.gz SKHYEHVXXDIBAM-UHFFFAOYSA-N 0 3 272.326 1.367 20 5 CDBDHN CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000279782340 374959645 /nfs/dbraw/zinc/95/96/45/374959645.db2.gz NSXATVRGTZZHKW-ZDUSSCGKSA-N 0 3 280.324 1.676 20 5 CDBDHN COCCOCCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282343862 375080489 /nfs/dbraw/zinc/08/04/89/375080489.db2.gz CBXBCRICNKBUNK-UHFFFAOYSA-N 0 3 282.340 1.732 20 5 CDBDHN COc1ccc(NC(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000350696862 375228779 /nfs/dbraw/zinc/22/87/79/375228779.db2.gz YBVNCYUMSKENMU-SECBINFHSA-N 0 3 296.327 1.675 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000049096433 375402375 /nfs/dbraw/zinc/40/23/75/375402375.db2.gz RZRFUGJMTNAAOP-GFCCVEGCSA-N 0 3 263.297 1.419 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H](O)C(F)F ZINC000344766327 375430952 /nfs/dbraw/zinc/43/09/52/375430952.db2.gz XMCFQDUEAKDRHL-TZNOJPMFSA-N 0 3 272.251 1.824 20 5 CDBDHN C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057718509 375566322 /nfs/dbraw/zinc/56/63/22/375566322.db2.gz XIMQBUQVERNMQR-SECBINFHSA-N 0 3 292.339 1.390 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)CC(F)F)cc1 ZINC000428637581 247339511 /nfs/dbraw/zinc/33/95/11/247339511.db2.gz DENPREHMEJUGJE-VIFPVBQESA-N 0 3 260.240 1.701 20 5 CDBDHN CCc1n[nH]c(C(=O)NCCN(CC)C2CC2)c1[N+](=O)[O-] ZINC000171807241 377053242 /nfs/dbraw/zinc/05/32/42/377053242.db2.gz IKZHWOBBMTUCDG-UHFFFAOYSA-N 0 3 295.343 1.094 20 5 CDBDHN C[C@H](NCCn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000266863361 378071316 /nfs/dbraw/zinc/07/13/16/378071316.db2.gz LSLQXJMSBDWKDO-JTQLQIEISA-N 0 3 261.285 1.537 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCN(C)CC1 ZINC000193876483 378308293 /nfs/dbraw/zinc/30/82/93/378308293.db2.gz CWVGLNBZRJMFHA-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C1Cc2ccccc2C1 ZINC000266946472 378885383 /nfs/dbraw/zinc/88/53/83/378885383.db2.gz YGWDXXULYQEODB-UHFFFAOYSA-N 0 3 286.335 1.891 20 5 CDBDHN COc1ccc(OCCN(C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000173826074 379321720 /nfs/dbraw/zinc/32/17/20/379321720.db2.gz GUYUUOSTTBNGLK-LLVKDONJSA-N 0 3 298.339 1.685 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2CCCO)n1 ZINC000450597188 251358002 /nfs/dbraw/zinc/35/80/02/251358002.db2.gz OUXCTRZGHDYJNE-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)CN(C)C ZINC000288552042 197110646 /nfs/dbraw/zinc/11/06/46/197110646.db2.gz YUNQPIKPCDCWHH-QMMMGPOBSA-N 0 3 255.322 1.482 20 5 CDBDHN CC[C@]1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000495207608 391905610 /nfs/dbraw/zinc/90/56/10/391905610.db2.gz YHEGJENXSHALSX-AWEZNQCLSA-N 0 3 280.324 1.820 20 5 CDBDHN CCc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000237138112 131006869 /nfs/dbraw/zinc/00/68/69/131006869.db2.gz WIFIROBCHXCACK-MNOVXSKESA-N 0 3 291.351 1.980 20 5 CDBDHN COCCCN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000263811362 131337074 /nfs/dbraw/zinc/33/70/74/131337074.db2.gz UMXSCJNHJZRAHM-UHFFFAOYSA-N 0 3 294.355 1.903 20 5 CDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330559709 392717235 /nfs/dbraw/zinc/71/72/35/392717235.db2.gz HMIOTLKDPACFRN-QWRGUYRKSA-N 0 3 294.355 1.773 20 5 CDBDHN CN(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CNC1 ZINC000420262340 392916314 /nfs/dbraw/zinc/91/63/14/392916314.db2.gz RCACUOPXOCWPGP-UHFFFAOYSA-N 0 3 275.268 1.053 20 5 CDBDHN COc1ccc(CNC(=O)[C@@H](N)CC(C)C)cc1[N+](=O)[O-] ZINC000269228220 132136813 /nfs/dbraw/zinc/13/68/13/132136813.db2.gz BTXMEVAUPQQMQC-NSHDSACASA-N 0 3 295.339 1.593 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000421700303 392943081 /nfs/dbraw/zinc/94/30/81/392943081.db2.gz DSIBSPONKMGVNA-ZDUSSCGKSA-N 0 3 277.324 1.761 20 5 CDBDHN COc1cc(C)ccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000449192802 393131697 /nfs/dbraw/zinc/13/16/97/393131697.db2.gz MQYOPIYOCPGKFR-UHFFFAOYSA-N 0 3 290.323 1.898 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@@H](O)C1 ZINC000351943449 393207426 /nfs/dbraw/zinc/20/74/26/393207426.db2.gz GEPWLQBVVBACJQ-NRUUGDAUSA-N 0 3 250.298 1.968 20 5 CDBDHN Cn1ccc(CCNCc2csc([N+](=O)[O-])c2)n1 ZINC000230880618 140215131 /nfs/dbraw/zinc/21/51/31/140215131.db2.gz RPNYJKWJAASPAH-UHFFFAOYSA-N 0 3 266.326 1.722 20 5 CDBDHN Cc1c(CNC(=O)C2(N)CCC2)cccc1[N+](=O)[O-] ZINC000231856688 140220036 /nfs/dbraw/zinc/22/00/36/140220036.db2.gz FCXAHFWOKKKPNO-UHFFFAOYSA-N 0 3 263.297 1.401 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255276187 140336974 /nfs/dbraw/zinc/33/69/74/140336974.db2.gz CXFRMYBZVWKPPG-VFFGBVLKSA-N 0 3 291.351 1.922 20 5 CDBDHN CCC[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286787372 397983014 /nfs/dbraw/zinc/98/30/14/397983014.db2.gz PJDBJXBHUXPHMP-SECBINFHSA-N 0 3 277.284 1.537 20 5 CDBDHN CNC(=O)[C@@H](C)CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093898810 147072266 /nfs/dbraw/zinc/07/22/66/147072266.db2.gz CXFRMYBZVWKPPG-WMADIVHISA-N 0 3 291.351 1.922 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262808266 149116184 /nfs/dbraw/zinc/11/61/84/149116184.db2.gz QKZDBCFFFXMGJB-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@@](O)(CNCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000311061052 149208851 /nfs/dbraw/zinc/20/88/51/149208851.db2.gz IPFKPNJSBAJULQ-CYBMUJFWSA-N 0 3 250.298 1.845 20 5 CDBDHN COCC[C@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000312171628 149228099 /nfs/dbraw/zinc/22/80/99/149228099.db2.gz VLKIKRIGZFUMMF-WCQYABFASA-N 0 3 282.340 1.951 20 5 CDBDHN CC(C)(CNC/C=C\c1ccccc1[N+](=O)[O-])OCCO ZINC000342328334 151810161 /nfs/dbraw/zinc/81/01/61/151810161.db2.gz WWHOEDNNFWQMHC-ALCCZGGFSA-N 0 3 294.351 1.985 20 5 CDBDHN CCN1C[C@H](C)N(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000346169313 153080656 /nfs/dbraw/zinc/08/06/56/153080656.db2.gz QDLYOABGADIPCL-NEPJUHHUSA-N 0 3 281.360 1.206 20 5 CDBDHN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N(C)C ZINC000346210479 153098489 /nfs/dbraw/zinc/09/84/89/153098489.db2.gz OWUKXJWURVZFLF-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362073900 159060747 /nfs/dbraw/zinc/06/07/47/159060747.db2.gz AKMZNZLODATKNV-NWDGAFQWSA-N 0 3 280.324 1.534 20 5 CDBDHN CO[C@H](C)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000285682102 196364119 /nfs/dbraw/zinc/36/41/19/196364119.db2.gz NFNPZFYCVYFXAE-LLVKDONJSA-N 0 3 268.313 1.940 20 5 CDBDHN CCN1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000040454901 174267254 /nfs/dbraw/zinc/26/72/54/174267254.db2.gz VXRBCZSBSYSMLB-UHFFFAOYSA-N 0 3 251.290 1.281 20 5 CDBDHN O=[N+]([O-])c1cnc(NCCN2CCCCCC2)nc1 ZINC000040768066 174398785 /nfs/dbraw/zinc/39/87/85/174398785.db2.gz JWHCLRWWBSJCDS-UHFFFAOYSA-N 0 3 265.317 1.673 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000044538545 175199983 /nfs/dbraw/zinc/19/99/83/175199983.db2.gz LPRLIJLOZHMIAW-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN COC[C@H](O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000071269955 176103392 /nfs/dbraw/zinc/10/33/92/176103392.db2.gz YQBMNTJCYIVNLL-LLVKDONJSA-N 0 3 254.286 1.000 20 5 CDBDHN CN1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048802022 277052330 /nfs/dbraw/zinc/05/23/30/277052330.db2.gz JEUOOAZOXYVWFG-UHFFFAOYSA-N 0 3 253.277 1.876 20 5 CDBDHN CN1CC[C@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000332351128 277180403 /nfs/dbraw/zinc/18/04/03/277180403.db2.gz ZKABTWMZWZDMIN-LSDHHAIUSA-N 0 3 291.351 1.500 20 5 CDBDHN CNC(=O)C[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271859588 277231826 /nfs/dbraw/zinc/23/18/26/277231826.db2.gz ZCDJLVADYKEPHL-NXEZZACHSA-N 0 3 265.313 1.770 20 5 CDBDHN COc1cc(N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC000273327545 277381049 /nfs/dbraw/zinc/38/10/49/277381049.db2.gz QORQSQANYHWNBS-UHFFFAOYSA-N 0 3 251.286 1.354 20 5 CDBDHN Cc1cnc(N2CCO[C@@H](CN(C)C)C2)c([N+](=O)[O-])c1 ZINC000266228956 279015529 /nfs/dbraw/zinc/01/55/29/279015529.db2.gz SSHIRQUDMKWRIZ-NSHDSACASA-N 0 3 280.328 1.065 20 5 CDBDHN C[C@@H](NCCN1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245457786 280210584 /nfs/dbraw/zinc/21/05/84/280210584.db2.gz JZDVVIZPOOXGIL-CHWSQXEVSA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1CO ZINC000248861988 280388597 /nfs/dbraw/zinc/38/85/97/280388597.db2.gz ADVGSFHOMLWNFL-AAEUAGOBSA-N 0 3 280.324 1.676 20 5 CDBDHN [NH3+]C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000089091652 295273699 /nfs/dbraw/zinc/27/36/99/295273699.db2.gz YDSPLTFXCYAVJH-NXEZZACHSA-N 0 3 299.352 1.001 20 5 CDBDHN CNc1c(C(=O)NCCN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000161479606 522538527 /nfs/dbraw/zinc/53/85/27/522538527.db2.gz TVZNNGDLGJXCOP-UHFFFAOYSA-N 0 3 292.339 1.461 20 5 CDBDHN Cc1ccc(CNC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000068803192 524580295 /nfs/dbraw/zinc/58/02/95/524580295.db2.gz BSUTYJSGTIZSIZ-CQSZACIVSA-N 0 3 292.383 1.239 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCN(C3CCCC3)CC2)c1 ZINC000157600490 527414703 /nfs/dbraw/zinc/41/47/03/527414703.db2.gz NZOOSCFVSBRFPL-UHFFFAOYSA-N 0 3 293.371 1.352 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)C1CC1 ZINC000771811861 575617033 /nfs/dbraw/zinc/61/70/33/575617033.db2.gz FDRRGLOCBXKSCY-NSHDSACASA-N 0 3 293.323 1.202 20 5 CDBDHN CC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000893045582 618093363 /nfs/dbraw/zinc/09/33/63/618093363.db2.gz YEYPKFHXQYEDCW-SNVBAGLBSA-N 0 3 280.280 1.248 20 5 CDBDHN CCc1noc(-c2ccc(CCNCC[N+](=O)[O-])cc2)n1 ZINC000905097905 626637705 /nfs/dbraw/zinc/63/77/05/626637705.db2.gz OFLCJDNGYYFRPU-UHFFFAOYSA-N 0 3 290.323 1.708 20 5 CDBDHN CC(C)(C)OC(=O)N[C@@H](CNCC[N+](=O)[O-])C1CC1 ZINC000905189349 626667845 /nfs/dbraw/zinc/66/78/45/626667845.db2.gz IGBSEZBPDOATJU-JTQLQIEISA-N 0 3 273.333 1.156 20 5 CDBDHN O=[N+]([O-])CCN[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000905278042 626733111 /nfs/dbraw/zinc/73/31/11/626733111.db2.gz BFVLWJOZNAMOTL-ZYHUDNBSSA-N 0 3 251.286 1.168 20 5 CDBDHN CC(C)[C@H]1CN(C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000153646118 631765001 /nfs/dbraw/zinc/76/50/01/631765001.db2.gz QUWQTNLSCHGTGO-GFCCVEGCSA-N 0 3 267.333 1.021 20 5 CDBDHN COc1cc(C)c([N+](=O)[O-])cc1N[C@@H](C)[C@H]1CNCCO1 ZINC001170567121 1162941760 /nfs/dbraw/zinc/94/17/60/1162941760.db2.gz JEOKLEZIMCSCAP-IINYFYTJSA-N 0 3 295.339 1.701 20 5 CDBDHN COc1cccc(N[C@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170567603 1162937468 /nfs/dbraw/zinc/93/74/68/1162937468.db2.gz KUEMSUSLUMROQX-BXKDBHETSA-N 0 3 281.312 1.392 20 5 CDBDHN C[C@H](CNCc1ccc(N)nn1)c1ccccc1[N+](=O)[O-] ZINC001576032303 1171317191 /nfs/dbraw/zinc/31/71/91/1171317191.db2.gz BRYWYXQODRXCMM-SNVBAGLBSA-N 0 3 287.323 1.860 20 5 CDBDHN COCC[C@@H](N)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000159749049 1178248559 /nfs/dbraw/zinc/24/85/59/1178248559.db2.gz PCKIMZZVTQHWRJ-SNVBAGLBSA-N 0 3 281.312 1.514 20 5 CDBDHN O=[N+]([O-])c1ccccc1Cn1cc(CNCC2CC2)nn1 ZINC000162002228 1179122371 /nfs/dbraw/zinc/12/23/71/1179122371.db2.gz OSZUKNMXEIOTJV-UHFFFAOYSA-N 0 3 287.323 1.734 20 5 CDBDHN Cc1c(CN[C@@H](CO)CCF)cccc1[N+](=O)[O-] ZINC000873132616 739240957 /nfs/dbraw/zinc/24/09/57/739240957.db2.gz AFFGXSYPZXQMEQ-LLVKDONJSA-N 0 3 256.277 1.713 20 5 CDBDHN CC(COC(=O)c1ncccc1Br)[N+](=O)[O-] ZINC000838964709 739458935 /nfs/dbraw/zinc/45/89/35/739458935.db2.gz JHVDWQNBZOXOMU-LURJTMIESA-N 0 3 289.085 1.666 20 5 CDBDHN Cn1nccc1CCNCc1csc([N+](=O)[O-])c1 ZINC000231033720 740508269 /nfs/dbraw/zinc/50/82/69/740508269.db2.gz OXTKJICNWZEZMY-UHFFFAOYSA-N 0 3 266.326 1.722 20 5 CDBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930147302 740577803 /nfs/dbraw/zinc/57/78/03/740577803.db2.gz BWPGIHLTNWYEDD-KGLIPLIRSA-N 0 3 277.368 1.858 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000787101455 740873091 /nfs/dbraw/zinc/87/30/91/740873091.db2.gz IHSGXMUWCIWLBC-JTQLQIEISA-N 0 3 292.339 1.249 20 5 CDBDHN CC(COC(=O)[C@H]1CCc2ccccc2C1)[N+](=O)[O-] ZINC000845575943 740900981 /nfs/dbraw/zinc/90/09/81/740900981.db2.gz JLYBEUXZQVOCOS-GWCFXTLKSA-N 0 3 263.293 2.000 20 5 CDBDHN CC(COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000813110233 740982439 /nfs/dbraw/zinc/98/24/39/740982439.db2.gz VGNBKVNSTXWTLX-WQAKUFEDSA-N 0 3 280.236 1.816 20 5 CDBDHN O=C(NC1CN(CC2CC3(CCC3)C2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001030294175 741461963 /nfs/dbraw/zinc/46/19/63/741461963.db2.gz ZNQWDHALSRHXSK-CHWSQXEVSA-N 0 3 293.367 1.032 20 5 CDBDHN C[C@@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000124298959 741867396 /nfs/dbraw/zinc/86/73/96/741867396.db2.gz MGVQSANZFJFNAZ-SSDOTTSWSA-N 0 3 281.703 1.908 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)c(CNCCN2CC[C@H](O)C2)c1 ZINC000858338622 739945622 /nfs/dbraw/zinc/94/56/22/739945622.db2.gz ITBXFNVBDYAKFT-LBPRGKRZSA-N 0 3 299.758 1.404 20 5 CDBDHN N[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C1CCC1 ZINC000817959325 740735274 /nfs/dbraw/zinc/73/52/74/740735274.db2.gz AWCUBZQCKDBSBB-GFCCVEGCSA-N 0 3 297.742 1.992 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)CCC(=O)N2C)[N+](=O)[O-] ZINC000813103066 741689551 /nfs/dbraw/zinc/68/95/51/741689551.db2.gz MRJBJYVTCJDAHS-VIFPVBQESA-N 0 3 292.291 1.418 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccncc2)cc1 ZINC000105909048 741851623 /nfs/dbraw/zinc/85/16/23/741851623.db2.gz SFWPPQFJNIRTPS-AWEZNQCLSA-N 0 3 273.292 1.813 20 5 CDBDHN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCN1C ZINC000695903001 900070450 /nfs/dbraw/zinc/07/04/50/900070450.db2.gz DWIQOAHNSXZADL-RISCZKNCSA-N 0 3 278.356 1.641 20 5 CDBDHN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056334 927672247 /nfs/dbraw/zinc/67/22/47/927672247.db2.gz RVJXZZXNDGCNCA-QWQWKMKNSA-N 0 3 282.340 1.458 20 5 CDBDHN C[C@@H](N)c1ccn(-c2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])n1 ZINC001169227826 927825290 /nfs/dbraw/zinc/82/52/90/927825290.db2.gz FQZHNADIHSYXBC-ZCFIWIBFSA-N 0 3 283.675 1.087 20 5 CDBDHN CC(COC(=O)C[C@H]1CC(=O)Nc2ccccc21)[N+](=O)[O-] ZINC001123042983 936107183 /nfs/dbraw/zinc/10/71/83/936107183.db2.gz UXJLNDBFSCTNGI-VHSXEESVSA-N 0 3 292.291 1.711 20 5 CDBDHN Cc1ccnc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159497441 938734215 /nfs/dbraw/zinc/73/42/15/938734215.db2.gz NWZBEEGCSRGIOM-VHSXEESVSA-N 0 3 266.301 1.087 20 5 CDBDHN O=C1C[C@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)CCN1 ZINC001162336653 939027174 /nfs/dbraw/zinc/02/71/74/939027174.db2.gz GPDSFMFLTJNAKM-SECBINFHSA-N 0 3 290.323 1.136 20 5 CDBDHN CN(C)C1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001163942828 939359334 /nfs/dbraw/zinc/35/93/34/939359334.db2.gz PBSABUFWYIIDRM-UHFFFAOYSA-N 0 3 299.334 1.802 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(-n2nc(CN)cc2C)c1 ZINC001163988316 939374411 /nfs/dbraw/zinc/37/44/11/939374411.db2.gz KWKNQZAETOCBJG-UHFFFAOYSA-N 0 3 290.279 1.334 20 5 CDBDHN CN1CC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228802212 942378995 /nfs/dbraw/zinc/37/89/95/942378995.db2.gz GODCGPPLSKFSMN-SECBINFHSA-N 0 3 290.275 1.784 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](O)C1 ZINC001254550650 947521476 /nfs/dbraw/zinc/52/14/76/947521476.db2.gz NWBLDOAUIURAFD-CMPLNLGQSA-N 0 3 250.298 1.592 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCC1(F)COC1)C2 ZINC001254574123 947533951 /nfs/dbraw/zinc/53/39/51/947533951.db2.gz GHPQGYBRETYFHD-NSHDSACASA-N 0 3 266.272 1.390 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN3CC[C@@H]3C1)C2 ZINC001254605695 947553888 /nfs/dbraw/zinc/55/38/88/947553888.db2.gz CQOYWWPOSQCTPA-CABCVRRESA-N 0 3 273.336 1.452 20 5 CDBDHN CN(CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC001334744451 959320199 /nfs/dbraw/zinc/32/01/99/959320199.db2.gz FVPGRGBHBFWXTD-UHFFFAOYSA-N 0 3 289.335 1.921 20 5 CDBDHN CN1CCCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC001347505075 965560640 /nfs/dbraw/zinc/56/06/40/965560640.db2.gz VLCNQNCDWJIWPZ-LLVKDONJSA-N 0 3 277.324 1.809 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCN2CC[C@H](O)C2)c1 ZINC000599199844 343979778 /nfs/dbraw/zinc/97/97/78/343979778.db2.gz SMWOMUTZSZSTLV-NSHDSACASA-N 0 3 265.313 1.382 20 5 CDBDHN C[C@@H]1CCN[C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000127120966 342066744 /nfs/dbraw/zinc/06/67/44/342066744.db2.gz DBDPIQLGRZTXNQ-MFKMUULPSA-N 0 3 277.324 1.599 20 5 CDBDHN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)CN1 ZINC000591433871 342631442 /nfs/dbraw/zinc/63/14/42/342631442.db2.gz CEENIHWNWZORSS-YUMQZZPRSA-N 0 3 254.265 1.316 20 5 CDBDHN CC1(C)CN[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000591668205 342641212 /nfs/dbraw/zinc/64/12/12/342641212.db2.gz OKHJKVXVPPRABD-GFCCVEGCSA-N 0 3 275.308 1.482 20 5 CDBDHN C[C@H](CO)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000593084515 342763543 /nfs/dbraw/zinc/76/35/43/342763543.db2.gz QHCGWOUXHFBFRP-LLVKDONJSA-N 0 3 282.344 1.132 20 5 CDBDHN CCC(C)(C)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000594594636 342923126 /nfs/dbraw/zinc/92/31/26/342923126.db2.gz OVJHAUWTNCPFDQ-UHFFFAOYSA-N 0 3 294.359 1.108 20 5 CDBDHN Cc1noc(CN2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595296631 343027309 /nfs/dbraw/zinc/02/73/09/343027309.db2.gz LVRYDLRRPRUALK-LBPRGKRZSA-N 0 3 294.355 1.951 20 5 CDBDHN CCCN1CCC(N(C)c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076269528 342320359 /nfs/dbraw/zinc/32/03/59/342320359.db2.gz BHCFOFYDORGLBI-UHFFFAOYSA-N 0 3 294.359 1.278 20 5 CDBDHN Cc1noc(CN(C)C[C@@H]2CCCN2C)c1[N+](=O)[O-] ZINC000595546464 343084056 /nfs/dbraw/zinc/08/40/56/343084056.db2.gz OFNIPVMBBSPZJH-JTQLQIEISA-N 0 3 268.317 1.417 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000595541812 343093380 /nfs/dbraw/zinc/09/33/80/343093380.db2.gz CSQPUYLLQNCYBE-WCQYABFASA-N 0 3 298.314 1.611 20 5 CDBDHN CN(C[C@@H]1CCC[N@H+](C)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127798 343237755 /nfs/dbraw/zinc/23/77/55/343237755.db2.gz AXRDVZLGVKYIBT-SNVBAGLBSA-N 0 3 280.328 1.473 20 5 CDBDHN CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596127798 343237756 /nfs/dbraw/zinc/23/77/56/343237756.db2.gz AXRDVZLGVKYIBT-SNVBAGLBSA-N 0 3 280.328 1.473 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](CO)[C@H](CO)C1 ZINC000599531087 344076364 /nfs/dbraw/zinc/07/63/64/344076364.db2.gz HOBYNNVRHQCNTF-AVGNSLFASA-N 0 3 294.351 1.497 20 5 CDBDHN COC[C@@](C)(CO)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602586889 344477923 /nfs/dbraw/zinc/47/79/23/344477923.db2.gz DURJCJMAVTWHQX-CYBMUJFWSA-N 0 3 268.313 1.124 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CCC[C@H]1O ZINC000602795575 344586633 /nfs/dbraw/zinc/58/66/33/344586633.db2.gz NMMDFAIHNRZOBX-NWDGAFQWSA-N 0 3 282.344 1.193 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)CCCn1ccnc1 ZINC000602797149 344588002 /nfs/dbraw/zinc/58/80/02/344588002.db2.gz HBIFRBQTOTWSGT-UHFFFAOYSA-N 0 3 292.343 1.318 20 5 CDBDHN CCCCN(CCOC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602786442 344599841 /nfs/dbraw/zinc/59/98/41/344599841.db2.gz TZZJLDWSUAVFFR-UHFFFAOYSA-N 0 3 284.360 1.848 20 5 CDBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])C[C@@H](C)OC ZINC000602837599 344619367 /nfs/dbraw/zinc/61/93/67/344619367.db2.gz NXHFWCCFFFXKAA-SNVBAGLBSA-N 0 3 270.333 1.457 20 5 CDBDHN CCN1CCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000159284530 344806607 /nfs/dbraw/zinc/80/66/07/344806607.db2.gz CNZJMTORKGSJNR-JTQLQIEISA-N 0 3 250.302 1.886 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](O)CC2)cc1 ZINC000292904073 362518343 /nfs/dbraw/zinc/51/83/43/362518343.db2.gz AREMZQDUAICMCD-CYBMUJFWSA-N 0 3 280.324 1.820 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](O)CC2)cc1 ZINC000293196374 362538311 /nfs/dbraw/zinc/53/83/11/362538311.db2.gz QMZWGFRYBKEWDW-CYBMUJFWSA-N 0 3 250.298 1.942 20 5 CDBDHN CN(C)C/C=C/C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000265686609 362573889 /nfs/dbraw/zinc/57/38/89/362573889.db2.gz XKBQQCPRLIWZDQ-RMKNXTFCSA-N 0 3 277.324 1.671 20 5 CDBDHN CC(C)(C)CN(CCO)CCn1cc([N+](=O)[O-])cn1 ZINC000610211551 346219590 /nfs/dbraw/zinc/21/95/90/346219590.db2.gz DBXTVMVQGVVCAN-UHFFFAOYSA-N 0 3 270.333 1.132 20 5 CDBDHN Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCN(C)C3)n2)n1C ZINC000350257531 346334830 /nfs/dbraw/zinc/33/48/30/346334830.db2.gz ANAFXHSZYGXSRQ-QMMMGPOBSA-N 0 3 292.299 1.106 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H]3CCC[C@H]32)c1 ZINC000610762683 346398217 /nfs/dbraw/zinc/39/82/17/346398217.db2.gz NXSMNHXKKHVNHF-UXIGCNINSA-N 0 3 292.335 1.819 20 5 CDBDHN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000090573772 347784767 /nfs/dbraw/zinc/78/47/67/347784767.db2.gz UNNRTDOLHPCPLL-ZOWXZIJZSA-N 0 3 293.367 1.965 20 5 CDBDHN Cc1cc(C(=O)N2C[C@H](C)NC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000086467870 179298865 /nfs/dbraw/zinc/29/88/65/179298865.db2.gz FBMLEBGFEFJLRR-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000086467996 179299149 /nfs/dbraw/zinc/29/91/49/179299149.db2.gz MNPMVEVKIVWJGL-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN COC[C@](C)(O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000069911835 349110819 /nfs/dbraw/zinc/11/08/19/349110819.db2.gz GBQNDGRIIXBTTQ-HZRUHFOJSA-N 0 3 280.324 1.595 20 5 CDBDHN CSCC[C@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554439 180002506 /nfs/dbraw/zinc/00/25/06/180002506.db2.gz HIBULXARLJIFKC-NSHDSACASA-N 0 3 299.396 1.830 20 5 CDBDHN C[C@@H](N[C@H]1CCCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000111828124 350500637 /nfs/dbraw/zinc/50/06/37/350500637.db2.gz DMGCGCIGEYCJHI-PWSUYJOCSA-N 0 3 277.324 1.914 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCN(CC3CC3)C2)s1 ZINC000619695606 350835113 /nfs/dbraw/zinc/83/51/13/350835113.db2.gz RSEALRVHFMARTC-SECBINFHSA-N 0 3 268.342 1.948 20 5 CDBDHN Cc1ccc([C@H](C)N[C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000122148522 187017688 /nfs/dbraw/zinc/01/76/88/187017688.db2.gz PCKPTWUUCFLBBO-UWVGGRQHSA-N 0 3 265.313 1.818 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000154660427 188155714 /nfs/dbraw/zinc/15/57/14/188155714.db2.gz QUSZUVXGBSGQSK-UONOGXRCSA-N 0 3 296.367 1.967 20 5 CDBDHN N[C@@H](CC(F)F)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000336809602 356272221 /nfs/dbraw/zinc/27/22/21/356272221.db2.gz FVYMLYXYVUBKFB-VIFPVBQESA-N 0 3 273.239 1.194 20 5 CDBDHN C[C@@H]1C[C@H](O)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000340905703 363534856 /nfs/dbraw/zinc/53/48/56/363534856.db2.gz OKFQJADMWGNXMO-PWSUYJOCSA-N 0 3 266.297 1.429 20 5 CDBDHN C[C@@H]1NCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000379494214 357164149 /nfs/dbraw/zinc/16/41/49/357164149.db2.gz MTLSXKKEVVAVDV-KZQRZKTQSA-N 0 3 289.335 1.817 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C2CC2)n1 ZINC000184785446 357495133 /nfs/dbraw/zinc/49/51/33/357495133.db2.gz WNMQYSUDGLKFLQ-UHFFFAOYSA-N 0 3 264.329 1.829 20 5 CDBDHN CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1O ZINC000286592255 357531154 /nfs/dbraw/zinc/53/11/54/357531154.db2.gz QSPVNNXZDLJYDG-CHWSQXEVSA-N 0 3 250.298 1.940 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000360983874 357764324 /nfs/dbraw/zinc/76/43/24/357764324.db2.gz IAKNUUSPMMJORW-JQWIXIFHSA-N 0 3 295.387 1.896 20 5 CDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000408052935 357795625 /nfs/dbraw/zinc/79/56/25/357795625.db2.gz WKZNRLXJZHZZSS-GXFFZTMASA-N 0 3 292.339 1.479 20 5 CDBDHN CO[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000361361087 358170451 /nfs/dbraw/zinc/17/04/51/358170451.db2.gz BKLSMRIPAMEJOC-TZMCWYRMSA-N 0 3 296.323 1.055 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000287247870 358350284 /nfs/dbraw/zinc/35/02/84/358350284.db2.gz QNLZFURRAIUMJA-NSHDSACASA-N 0 3 294.355 1.463 20 5 CDBDHN COC[C@@H](CCO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223951707 358376628 /nfs/dbraw/zinc/37/66/28/358376628.db2.gz MJGFJBAZUSMAEW-WCQYABFASA-N 0 3 282.340 1.951 20 5 CDBDHN CC[C@H](C)N(CCO)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000287427045 358582993 /nfs/dbraw/zinc/58/29/93/358582993.db2.gz PHEQHMGNAMQORD-FZMZJTMJSA-N 0 3 282.340 1.721 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264931619 358779304 /nfs/dbraw/zinc/77/93/04/358779304.db2.gz SNUYAVSVIHWSCM-CYBMUJFWSA-N 0 3 277.324 1.348 20 5 CDBDHN CN1CCCC(C)(C)[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000447808857 359050283 /nfs/dbraw/zinc/05/02/83/359050283.db2.gz WSCIBVZIINIUOF-NSHDSACASA-N 0 3 279.344 1.917 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](CO)C2)cc1 ZINC000050104489 359303536 /nfs/dbraw/zinc/30/35/36/359303536.db2.gz XDHJYCZBLNOMKJ-CYBMUJFWSA-N 0 3 264.325 1.842 20 5 CDBDHN CC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000152645824 359344848 /nfs/dbraw/zinc/34/48/48/359344848.db2.gz KSDBAFUDHTVTTQ-AWEZNQCLSA-N 0 3 291.351 1.820 20 5 CDBDHN Cc1nc(N[C@@H]2C[C@H](C)N(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000297553306 200225705 /nfs/dbraw/zinc/22/57/05/200225705.db2.gz QYPNUBDNSVYRQF-WCBMZHEXSA-N 0 3 277.328 1.730 20 5 CDBDHN COc1ccc(CNC(=O)[C@@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000269045955 366606836 /nfs/dbraw/zinc/60/68/36/366606836.db2.gz NIMVNJYCOZVKDQ-LBPRGKRZSA-N 0 3 281.312 1.203 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](N2CCCC2)C1 ZINC000573007280 361105039 /nfs/dbraw/zinc/10/50/39/361105039.db2.gz JERBILDFAFHMAF-GFCCVEGCSA-N 0 3 293.371 1.794 20 5 CDBDHN Cc1nc(N2CC[C@H](N3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000568355975 294018895 /nfs/dbraw/zinc/01/88/95/294018895.db2.gz WDRRJPXZXDKNAM-NSHDSACASA-N 0 3 277.328 1.368 20 5 CDBDHN C[C@H](NCC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000173329023 364031209 /nfs/dbraw/zinc/03/12/09/364031209.db2.gz ZDWJIKSZJKTTIF-VIFPVBQESA-N 0 3 265.313 1.757 20 5 CDBDHN COCC1(O)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270382613 364574785 /nfs/dbraw/zinc/57/47/85/364574785.db2.gz QACLHTMIJUSHCN-UHFFFAOYSA-N 0 3 294.351 1.611 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249563503 364890449 /nfs/dbraw/zinc/89/04/49/364890449.db2.gz MJUXZVBRHIDRKI-SMDDNHRTSA-N 0 3 280.324 1.676 20 5 CDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000564172749 365383474 /nfs/dbraw/zinc/38/34/74/365383474.db2.gz GZJSSYQNKGVJOR-NSHDSACASA-N 0 3 294.355 1.488 20 5 CDBDHN Cc1occc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000414376543 241174427 /nfs/dbraw/zinc/17/44/27/241174427.db2.gz HUKPQOAGIVURBB-UHFFFAOYSA-N 0 3 250.258 1.483 20 5 CDBDHN C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])N(C)C ZINC000420580987 244264508 /nfs/dbraw/zinc/26/45/08/244264508.db2.gz GIOSTXLOXAOYQU-QMMMGPOBSA-N 0 3 266.301 1.056 20 5 CDBDHN Cc1nc(N(C)C[C@@H]2CCCN2C)ncc1[N+](=O)[O-] ZINC000420630760 244297963 /nfs/dbraw/zinc/29/79/63/244297963.db2.gz FPRUROQGLWUFAM-JTQLQIEISA-N 0 3 265.317 1.224 20 5 CDBDHN CCCC[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668516 369784947 /nfs/dbraw/zinc/78/49/47/369784947.db2.gz IMVIEVSBCZYVGJ-LBPRGKRZSA-N 0 3 265.313 1.729 20 5 CDBDHN Cc1c([C@H](C)NC[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000423531724 374388290 /nfs/dbraw/zinc/38/82/90/374388290.db2.gz YOGNKLSCOWBVQP-RYUDHWBXSA-N 0 3 279.340 1.542 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000280204141 374986215 /nfs/dbraw/zinc/98/62/15/374986215.db2.gz FCBMZVJVHXIFNJ-OLZOCXBDSA-N 0 3 280.324 1.329 20 5 CDBDHN CC(C)n1nccc1CNCCn1cc([N+](=O)[O-])cn1 ZINC000280290853 374990627 /nfs/dbraw/zinc/99/06/27/374990627.db2.gz NNDRHLHUOFPYPE-UHFFFAOYSA-N 0 3 278.316 1.359 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299599785 375185203 /nfs/dbraw/zinc/18/52/03/375185203.db2.gz GWXPJLYIRCZFPK-UHFFFAOYSA-N 0 3 265.313 1.585 20 5 CDBDHN C[C@@H](NCCn1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283873493 375126457 /nfs/dbraw/zinc/12/64/57/375126457.db2.gz BWZAWSYRWZMXOT-SNVBAGLBSA-N 0 3 275.312 1.724 20 5 CDBDHN COC(=O)CC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350698994 375228595 /nfs/dbraw/zinc/22/85/95/375228595.db2.gz DGDFUCYAIPDMAY-UHFFFAOYSA-N 0 3 296.327 1.066 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351744731 375326082 /nfs/dbraw/zinc/32/60/82/375326082.db2.gz WWUDYSAXJKXWSE-MRVPVSSYSA-N 0 3 284.291 1.806 20 5 CDBDHN COc1ccc(OCCN2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000351836720 375333831 /nfs/dbraw/zinc/33/38/31/375333831.db2.gz WYMHDTRBZSWPJN-GWCFXTLKSA-N 0 3 296.323 1.295 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](C)[C@H](O)C1 ZINC000351943447 375344261 /nfs/dbraw/zinc/34/42/61/375344261.db2.gz GEPWLQBVVBACJQ-GBIKHYSHSA-N 0 3 250.298 1.968 20 5 CDBDHN CCOCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293896199 375410430 /nfs/dbraw/zinc/41/04/30/375410430.db2.gz WFBKBHKPMZFQNV-SECBINFHSA-N 0 3 253.302 1.864 20 5 CDBDHN COc1ccc(CNCc2[nH]ncc2C)cc1[N+](=O)[O-] ZINC000352836607 375542420 /nfs/dbraw/zinc/54/24/20/375542420.db2.gz VKCCNFBGKKSOSD-UHFFFAOYSA-N 0 3 276.296 1.925 20 5 CDBDHN COC[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000227690376 375591491 /nfs/dbraw/zinc/59/14/91/375591491.db2.gz VDONHHAPARNWNJ-GXFFZTMASA-N 0 3 268.313 1.907 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353439575 375609436 /nfs/dbraw/zinc/60/94/36/375609436.db2.gz MMELXXIVHDALNL-TVQRCGJNSA-N 0 3 295.339 1.593 20 5 CDBDHN CCN1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000354601897 375730596 /nfs/dbraw/zinc/73/05/96/375730596.db2.gz WHOLDMWNQRPCDE-QWRGUYRKSA-N 0 3 279.344 1.694 20 5 CDBDHN Cc1ccc(CNC[C@H]2CCCC(=O)N2)cc1[N+](=O)[O-] ZINC000433179322 248001387 /nfs/dbraw/zinc/00/13/87/248001387.db2.gz HMSDETPSMCDFAZ-GFCCVEGCSA-N 0 3 277.324 1.662 20 5 CDBDHN COCC[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278670428 194094777 /nfs/dbraw/zinc/09/47/77/194094777.db2.gz LPBIFNBQQQTUMK-SECBINFHSA-N 0 3 278.312 1.986 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H](CO)[C@@H]2CCCO2)c1 ZINC000447907486 250443532 /nfs/dbraw/zinc/44/35/32/250443532.db2.gz RWFNHCJXUSONAN-OLZOCXBDSA-N 0 3 266.297 1.224 20 5 CDBDHN CCO[C@@H]1C[C@@H](N(C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000174872486 379596816 /nfs/dbraw/zinc/59/68/16/379596816.db2.gz MBDKXEFOGFJODJ-CHWSQXEVSA-N 0 3 296.371 1.927 20 5 CDBDHN Cc1c(CN2CCC[C@@H](CC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000175212367 379660205 /nfs/dbraw/zinc/66/02/05/379660205.db2.gz RESYSBZMWJZAFN-LBPRGKRZSA-N 0 3 291.351 1.991 20 5 CDBDHN CC[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449770634 251008351 /nfs/dbraw/zinc/00/83/51/251008351.db2.gz GBRTXEUUDYNBDC-VFFGBVLKSA-N 0 3 277.324 1.722 20 5 CDBDHN Cc1ccnc(NC[C@@H]2CCCN2CCCO)c1[N+](=O)[O-] ZINC000450590947 251354645 /nfs/dbraw/zinc/35/46/45/251354645.db2.gz FIOWYBGGRBQUEY-LBPRGKRZSA-N 0 3 294.355 1.557 20 5 CDBDHN CN(CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000491202312 253067537 /nfs/dbraw/zinc/06/75/37/253067537.db2.gz WWXSLXPLCDWUQA-TWGQIWQCSA-N 0 3 289.335 1.818 20 5 CDBDHN O=[N+]([O-])c1ccc(CN(CCCO)C2CC2)cc1 ZINC000172354843 285111275 /nfs/dbraw/zinc/11/12/75/285111275.db2.gz JRBGMYJHIAGHFZ-UHFFFAOYSA-N 0 3 250.298 1.942 20 5 CDBDHN COCC[C@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000281736957 285167472 /nfs/dbraw/zinc/16/74/72/285167472.db2.gz VFIREWYCSJZRHQ-DOMZBBRYSA-N 0 3 294.351 1.959 20 5 CDBDHN COC(=O)CC[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000288698412 197147200 /nfs/dbraw/zinc/14/72/00/197147200.db2.gz XZGBAEPCAILYCK-SNVBAGLBSA-N 0 3 295.295 1.122 20 5 CDBDHN CN1CC=C(CNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286101714 390191642 /nfs/dbraw/zinc/19/16/42/390191642.db2.gz CYOQEPBRZNPSJE-UHFFFAOYSA-N 0 3 262.313 1.851 20 5 CDBDHN CC(C)CN(CCc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000048571978 390449166 /nfs/dbraw/zinc/44/91/66/390449166.db2.gz MDCZLJQDHPRYOF-UHFFFAOYSA-N 0 3 279.340 1.581 20 5 CDBDHN Nc1nc(N2CC[C@H](N3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000264587887 391228897 /nfs/dbraw/zinc/22/88/97/391228897.db2.gz LAWAHQIDABELGG-JTQLQIEISA-N 0 3 292.343 1.032 20 5 CDBDHN Cc1ccc(CN[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000323258108 391414813 /nfs/dbraw/zinc/41/48/13/391414813.db2.gz GBISQVPRFWCNOS-DGCLKSJQSA-N 0 3 250.298 1.906 20 5 CDBDHN CN(C)C1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000416307977 391984884 /nfs/dbraw/zinc/98/48/84/391984884.db2.gz NYMGEBBHQZNKKT-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN C[C@H]1NCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262824969 131265268 /nfs/dbraw/zinc/26/52/68/131265268.db2.gz TVRZWTRFOTXMCS-GHMZBOCLSA-N 0 3 277.324 1.346 20 5 CDBDHN CCN(CCOCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000281990633 393165208 /nfs/dbraw/zinc/16/52/08/393165208.db2.gz IGMIJTMLXRRNSL-UHFFFAOYSA-N 0 3 298.339 1.304 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCC2(O)CCC2)cc1 ZINC000283918815 296504037 /nfs/dbraw/zinc/50/40/37/296504037.db2.gz IPHMZRSEJHUMIJ-UHFFFAOYSA-N 0 3 250.298 1.990 20 5 CDBDHN COc1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000228103416 140190362 /nfs/dbraw/zinc/19/03/62/140190362.db2.gz HAMHQYIUDNXMHV-OUCADQQQSA-N 0 3 292.335 1.806 20 5 CDBDHN COCCNCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000234670816 140230823 /nfs/dbraw/zinc/23/08/23/140230823.db2.gz KWYDDXRKUCKDDZ-UHFFFAOYSA-N 0 3 274.708 1.291 20 5 CDBDHN CCCC[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236745760 140243050 /nfs/dbraw/zinc/24/30/50/140243050.db2.gz JEWADMZXGOPIHR-LLVKDONJSA-N 0 3 294.355 1.640 20 5 CDBDHN CNC(=O)C[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000322965134 292931854 /nfs/dbraw/zinc/93/18/54/292931854.db2.gz VPPRXERZIZRABF-SNVBAGLBSA-N 0 3 281.312 1.088 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343438823 152177461 /nfs/dbraw/zinc/17/74/61/152177461.db2.gz LUJNEIAQJSNQOJ-GWCFXTLKSA-N 0 3 277.324 1.807 20 5 CDBDHN C[C@@H](NCCNc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000361971250 159028619 /nfs/dbraw/zinc/02/86/19/159028619.db2.gz KTAXRTOODJWYEQ-LLVKDONJSA-N 0 3 287.323 1.569 20 5 CDBDHN COc1cc(CN[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000362179578 159092683 /nfs/dbraw/zinc/09/26/83/159092683.db2.gz LUZIKWCKJUIPME-NSHDSACASA-N 0 3 286.303 1.849 20 5 CDBDHN CC1(C)CN(CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000371885746 160059654 /nfs/dbraw/zinc/05/96/54/160059654.db2.gz KEPLOFRWURUJED-UHFFFAOYSA-N 0 3 268.317 1.292 20 5 CDBDHN COC[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000020557034 171250367 /nfs/dbraw/zinc/25/03/67/171250367.db2.gz XVNZDTJAXCYFMC-VIFPVBQESA-N 0 3 254.286 1.728 20 5 CDBDHN CC(C)[C@@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285101949 196197445 /nfs/dbraw/zinc/19/74/45/196197445.db2.gz KJBVLZHKFPLCKE-RNCFNFMXSA-N 0 3 267.329 1.845 20 5 CDBDHN CC[C@@H](C)[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676223 174373827 /nfs/dbraw/zinc/37/38/27/174373827.db2.gz AYZCJNKQXVUTTH-MFKMUULPSA-N 0 3 279.340 1.627 20 5 CDBDHN CN1CCC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000044537771 175200041 /nfs/dbraw/zinc/20/00/41/175200041.db2.gz FJTIHMLWALFGKJ-JTQLQIEISA-N 0 3 292.339 1.447 20 5 CDBDHN COCCOCCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000044725316 175238126 /nfs/dbraw/zinc/23/81/26/175238126.db2.gz RJHANDFFEJNYCP-UHFFFAOYSA-N 0 3 284.312 1.356 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000071907397 176296205 /nfs/dbraw/zinc/29/62/05/176296205.db2.gz VNRMBDGVYFMKTO-UHFFFAOYSA-N 0 3 293.367 1.401 20 5 CDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](C)CN1 ZINC000086467679 274331208 /nfs/dbraw/zinc/33/12/08/274331208.db2.gz PUTFTGPIVWFMBE-SFYZADRCSA-N 0 3 253.258 1.010 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCNCC1 ZINC000422708838 274686219 /nfs/dbraw/zinc/68/62/19/274686219.db2.gz JMQUAADIRDPXOE-UHFFFAOYSA-N 0 3 291.351 1.956 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])s1)N1CCCNCC1 ZINC000037467179 275012762 /nfs/dbraw/zinc/01/27/62/275012762.db2.gz ZBYBTPRULKVFEO-UHFFFAOYSA-N 0 3 255.299 1.092 20 5 CDBDHN CN(C)CC1(NC(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000281010327 276781684 /nfs/dbraw/zinc/78/16/84/276781684.db2.gz FHCMCFSTJOEXCZ-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN CN1CC[C@@H]2CN(c3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000450776284 277149874 /nfs/dbraw/zinc/14/98/74/277149874.db2.gz HFRUNNFOGFLBAU-SKDRFNHKSA-N 0 3 265.288 1.874 20 5 CDBDHN C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CCN1C ZINC000090795116 279000119 /nfs/dbraw/zinc/00/01/19/279000119.db2.gz ZAUYEQCUJISKJM-NXEZZACHSA-N 0 3 250.302 1.884 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCCN1C ZINC000345308467 279124444 /nfs/dbraw/zinc/12/44/44/279124444.db2.gz XMDKPQXOXFKPSQ-MWLCHTKSSA-N 0 3 292.339 1.390 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@H]2CO)cs1 ZINC000230677788 280117816 /nfs/dbraw/zinc/11/78/16/280117816.db2.gz RLSUDVIXXNTYFV-UWVGGRQHSA-N 0 3 256.327 1.907 20 5 CDBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000245411384 280205965 /nfs/dbraw/zinc/20/59/65/280205965.db2.gz WPZCBYKHWNVUAN-QWRGUYRKSA-N 0 3 252.318 1.912 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000562938373 293220423 /nfs/dbraw/zinc/22/04/23/293220423.db2.gz KNHQCYOMSVUSFK-SNVBAGLBSA-N 0 3 280.328 1.100 20 5 CDBDHN CC(C)OCC[C@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000562985065 293233345 /nfs/dbraw/zinc/23/33/45/293233345.db2.gz GPBOOEBKQDHDDF-AWEZNQCLSA-N 0 3 282.340 1.860 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667404 300220179 /nfs/dbraw/zinc/22/01/79/300220179.db2.gz OWCDHKGVBHKHGW-VHSXEESVSA-N 0 3 267.333 1.105 20 5 CDBDHN COCC[C@](C)(O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820010 316377551 /nfs/dbraw/zinc/37/75/51/316377551.db2.gz AXMYOCLWHXKVBV-HIFRSBDPSA-N 0 3 294.351 1.959 20 5 CDBDHN CN1C[C@@H](NC/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000338950726 524012639 /nfs/dbraw/zinc/01/26/39/524012639.db2.gz DYSHXEOQEOEQNM-RNZFLTOJSA-N 0 3 275.308 1.428 20 5 CDBDHN C[C@@H]1CCCN1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000742240062 576591682 /nfs/dbraw/zinc/59/16/82/576591682.db2.gz IHVOVSMESYXYFI-LLVKDONJSA-N 0 3 277.324 1.809 20 5 CDBDHN C[C@H]1CCCN1CCNc1cccnc1[N+](=O)[O-] ZINC000742425960 576602466 /nfs/dbraw/zinc/60/24/66/576602466.db2.gz RKXBRDALRFRZSQ-JTQLQIEISA-N 0 3 250.302 1.886 20 5 CDBDHN C[C@H](N[C@@H](CO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763071534 576708834 /nfs/dbraw/zinc/70/88/34/576708834.db2.gz SAXRRBDOOKURJV-ZANVPECISA-N 0 3 293.323 1.282 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C2(C)CCOCC2)c1[N+](=O)[O-] ZINC000893190392 617452517 /nfs/dbraw/zinc/45/25/17/617452517.db2.gz WWKWWDCRKUXRHX-UHFFFAOYSA-N 0 3 296.323 1.968 20 5 CDBDHN CC[C@H](CO)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000915875620 631850195 /nfs/dbraw/zinc/85/01/95/631850195.db2.gz ULHKWQMQOFALRK-VHSXEESVSA-N 0 3 281.312 1.282 20 5 CDBDHN Cc1c(N[C@H]2CCN(C)C2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167275704 1158555410 /nfs/dbraw/zinc/55/54/10/1158555410.db2.gz UVEKVXNKXMJGOY-VIFPVBQESA-N 0 3 280.284 1.927 20 5 CDBDHN C[C@H](Nc1cc2cc[nH]c2c([N+](=O)[O-])c1)[C@H]1CNCCO1 ZINC001170571084 1162958543 /nfs/dbraw/zinc/95/85/43/1162958543.db2.gz XYMIIRXCWPMEMP-TVQRCGJNSA-N 0 3 290.323 1.865 20 5 CDBDHN O=C(N[C@@H]1CCNC[C@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001580616873 1172486040 /nfs/dbraw/zinc/48/60/40/1172486040.db2.gz NISDFBLHEYJMIM-GHMZBOCLSA-N 0 3 285.250 1.164 20 5 CDBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001753164914 1182221857 /nfs/dbraw/zinc/22/18/57/1182221857.db2.gz AOPQCEGBRJEJNN-UHFFFAOYSA-N 0 3 287.266 1.408 20 5 CDBDHN O=C1NCCC[C@H]1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000839195429 743485028 /nfs/dbraw/zinc/48/50/28/743485028.db2.gz JDRYRNNIOPUXRL-JTQLQIEISA-N 0 3 297.742 1.864 20 5 CDBDHN CC[C@]1(O)CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313724 743577045 /nfs/dbraw/zinc/57/70/45/743577045.db2.gz OFPWFLNMXHILJE-CABCVRRESA-N 0 3 294.351 1.865 20 5 CDBDHN C[C@@H](O)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092359 745158134 /nfs/dbraw/zinc/15/81/34/745158134.db2.gz DPIBLAOQGUVLHU-YGRLFVJLSA-N 0 3 280.324 1.473 20 5 CDBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1COCCN1 ZINC000863483912 745276597 /nfs/dbraw/zinc/27/65/97/745276597.db2.gz RJTGBOSHCBDNQP-NSHDSACASA-N 0 3 285.731 1.326 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCO[C@H]1CCOC1 ZINC000927082974 745329149 /nfs/dbraw/zinc/32/91/49/745329149.db2.gz ISLIWMYJRGSEOD-SMDDNHRTSA-N 0 3 292.335 1.977 20 5 CDBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NCCN(C)C ZINC000807916372 745563635 /nfs/dbraw/zinc/56/36/35/745563635.db2.gz SDJUAIWFRBZVFP-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN Cc1noc(-c2ccccc2C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813113744 745808362 /nfs/dbraw/zinc/80/83/62/745808362.db2.gz UOKYEQJKNRTVRN-MRVPVSSYSA-N 0 3 291.263 1.867 20 5 CDBDHN C[C@@H]1CN(CC[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC000930147303 746653384 /nfs/dbraw/zinc/65/33/84/746653384.db2.gz BWPGIHLTNWYEDD-UONOGXRCSA-N 0 3 277.368 1.858 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@@H](c3ccccn3)C2)n1 ZINC000799191133 746749428 /nfs/dbraw/zinc/74/94/28/746749428.db2.gz XFAYXIXMDJWCAE-GFCCVEGCSA-N 0 3 287.323 1.676 20 5 CDBDHN COC[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000783664292 746894627 /nfs/dbraw/zinc/89/46/27/746894627.db2.gz KYZQZDFFURXHTN-JTQLQIEISA-N 0 3 288.731 1.999 20 5 CDBDHN CC(COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000842363245 747821065 /nfs/dbraw/zinc/82/10/65/747821065.db2.gz CZERYVFBKWKXNF-JFUSQASVSA-N 0 3 294.263 1.907 20 5 CDBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000839647811 748110087 /nfs/dbraw/zinc/11/00/87/748110087.db2.gz WKYZKQSYWUZYFG-MFKMUULPSA-N 0 3 298.314 1.611 20 5 CDBDHN CN(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000716679181 748345659 /nfs/dbraw/zinc/34/56/59/748345659.db2.gz NKWXGTHMGODGOL-MRVPVSSYSA-N 0 3 289.282 1.867 20 5 CDBDHN C[C@@H](NCCN1CCNC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000886740819 748540489 /nfs/dbraw/zinc/54/04/89/748540489.db2.gz JXWSXGYICXDUHA-SNVBAGLBSA-N 0 3 278.312 1.271 20 5 CDBDHN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000086468397 748646923 /nfs/dbraw/zinc/64/69/23/748646923.db2.gz LNSBSXVUKOCTFR-NXEZZACHSA-N 0 3 278.312 1.809 20 5 CDBDHN CCn1nccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853132655 748723518 /nfs/dbraw/zinc/72/35/18/748723518.db2.gz BBBVIVDZQMBXQT-CQSZACIVSA-N 0 3 290.323 1.634 20 5 CDBDHN O=[N+]([O-])c1cccc(CNCCO[C@@H]2CCOC2)c1 ZINC000724999931 748785927 /nfs/dbraw/zinc/78/59/27/748785927.db2.gz UZYNMDJTQKXMPO-CYBMUJFWSA-N 0 3 266.297 1.490 20 5 CDBDHN CC(COC(=O)c1cc(F)cc2nccnc21)[N+](=O)[O-] ZINC000813110011 749078840 /nfs/dbraw/zinc/07/88/40/749078840.db2.gz YOPOKUFGYBEGLP-ZETCQYMHSA-N 0 3 279.227 1.591 20 5 CDBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000845671343 749266544 /nfs/dbraw/zinc/26/65/44/749266544.db2.gz JAJFIMPBYLTPFV-JTQLQIEISA-N 0 3 293.323 1.818 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NC2(c3cccnn3)CC2)C1 ZINC001168973292 927596477 /nfs/dbraw/zinc/59/64/77/927596477.db2.gz NTBGAXNDHAXFBH-MNOVXSKESA-N 0 3 262.313 1.501 20 5 CDBDHN CCn1ccc(CN[C@H]2CC[C@@H](C[N+](=O)[O-])C2)n1 ZINC001168972646 927597464 /nfs/dbraw/zinc/59/74/64/927597464.db2.gz NOMHZHUUNQBTNS-MNOVXSKESA-N 0 3 252.318 1.438 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)C1 ZINC001169009877 927614576 /nfs/dbraw/zinc/61/45/76/927614576.db2.gz YPACDYVNLRHSCB-UONOGXRCSA-N 0 3 290.367 1.649 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3cccnn3)CC2)C1 ZINC001169033985 927642440 /nfs/dbraw/zinc/64/24/40/927642440.db2.gz DWLSSBNPWUHVIP-QWHCGFSZSA-N 0 3 291.355 1.044 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCCC3(C2)OCCO3)C1 ZINC001169038919 927650294 /nfs/dbraw/zinc/65/02/94/927650294.db2.gz LJTQYMRQHAWDJZ-NWDGAFQWSA-N 0 3 270.329 1.271 20 5 CDBDHN Cc1cc([N+](=O)[O-])cc(-n2nncc2CN)c1F ZINC001169312216 927919462 /nfs/dbraw/zinc/91/94/62/927919462.db2.gz RXEFMZRIKCEWQO-UHFFFAOYSA-N 0 3 251.221 1.082 20 5 CDBDHN C[C@@H](Nc1cc(Cl)ncc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159498906 930308186 /nfs/dbraw/zinc/30/81/86/930308186.db2.gz RYVVDTJMOJRQIS-XCBNKYQSSA-N 0 3 286.719 1.432 20 5 CDBDHN Cc1ccnc(N2C[C@H]3CCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001157259691 938470475 /nfs/dbraw/zinc/47/04/75/938470475.db2.gz FJPFYHBNHUGPHO-VXGBXAGGSA-N 0 3 276.340 1.829 20 5 CDBDHN C[C@H](Nc1nccc(Cl)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159489733 938732530 /nfs/dbraw/zinc/73/25/30/938732530.db2.gz RBDKFCQRVUIMCN-CBAPKCEASA-N 0 3 286.719 1.432 20 5 CDBDHN Cc1ccnc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159497442 938734031 /nfs/dbraw/zinc/73/40/31/938734031.db2.gz NWZBEEGCSRGIOM-ZJUUUORDSA-N 0 3 266.301 1.087 20 5 CDBDHN CN(C)C1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)C1 ZINC001163933314 939356435 /nfs/dbraw/zinc/35/64/35/939356435.db2.gz FTWBLFVWDPILAR-UHFFFAOYSA-N 0 3 273.296 1.288 20 5 CDBDHN Cc1nc(-n2ncc3c2CCNC3)ccc1[N+](=O)[O-] ZINC001165219304 939526360 /nfs/dbraw/zinc/52/63/60/939526360.db2.gz VJMQRYKKPSPAAE-UHFFFAOYSA-N 0 3 259.269 1.130 20 5 CDBDHN COC(=O)c1cc(O[C@@H]2CCN(C)C2)cc([N+](=O)[O-])c1 ZINC001228769703 942373279 /nfs/dbraw/zinc/37/32/79/942373279.db2.gz YATDQBDCAFPNFW-LLVKDONJSA-N 0 3 280.280 1.464 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CCN(C)C1=O ZINC001254536790 947516013 /nfs/dbraw/zinc/51/60/13/947516013.db2.gz TVAWREZDNVEODA-PWSUYJOCSA-N 0 3 277.324 1.346 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC(N(C)C)C1 ZINC001254551045 947520365 /nfs/dbraw/zinc/52/03/65/947520365.db2.gz WKVZVTWCACSZFD-LLVKDONJSA-N 0 3 263.341 1.772 20 5 CDBDHN CC(=O)N[C@@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605559 947553161 /nfs/dbraw/zinc/55/31/61/947553161.db2.gz BOTRWGFCVGKJCD-UKRRQHHQSA-N 0 3 289.335 1.272 20 5 CDBDHN O=[N+]([O-])CCN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC001333159259 958116905 /nfs/dbraw/zinc/11/69/05/958116905.db2.gz PAKPTGFFRFSYMG-JTQLQIEISA-N 0 3 265.317 1.138 20 5 CDBDHN O=[N+]([O-])CCN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC001333159259 958116911 /nfs/dbraw/zinc/11/69/11/958116911.db2.gz PAKPTGFFRFSYMG-JTQLQIEISA-N 0 3 265.317 1.138 20 5 CDBDHN CN1CCCC[C@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001336745043 960536165 /nfs/dbraw/zinc/53/61/65/960536165.db2.gz LNPHJURYDMTCDQ-NSHDSACASA-N 0 3 271.361 1.422 20 5 CDBDHN C[C@@H](NC(=O)[C@@H](N)CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001340990200 963223885 /nfs/dbraw/zinc/22/38/85/963223885.db2.gz HQHNJSBIMFKTCE-XCBNKYQSSA-N 0 3 287.266 1.755 20 5 CDBDHN CC(COC(=O)[C@H]1CC(=O)N(C)c2ccccc21)[N+](=O)[O-] ZINC001343370800 963961909 /nfs/dbraw/zinc/96/19/09/963961909.db2.gz FSUCGZYNIXZTDG-ONGXEEELSA-N 0 3 292.291 1.345 20 5 CDBDHN COc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC001344809709 964437537 /nfs/dbraw/zinc/43/75/37/964437537.db2.gz XTIKRFKWPCOPCZ-SECBINFHSA-N 0 3 253.254 1.826 20 5 CDBDHN O=[N+]([O-])c1ncccc1NC[C@@H](O)CN1CCCCC1 ZINC000601179349 342487993 /nfs/dbraw/zinc/48/79/93/342487993.db2.gz QYARZVNMRLKDOD-LLVKDONJSA-N 0 3 280.328 1.249 20 5 CDBDHN C[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])N(C)C ZINC000046275712 342055829 /nfs/dbraw/zinc/05/58/29/342055829.db2.gz QHSXYXPITQJVMB-JTQLQIEISA-N 0 3 281.312 1.040 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590800108 342597727 /nfs/dbraw/zinc/59/77/27/342597727.db2.gz VUJFFZCQXONAJA-MFKMUULPSA-N 0 3 290.323 1.763 20 5 CDBDHN CC1(C)CN[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591668561 342641181 /nfs/dbraw/zinc/64/11/81/342641181.db2.gz GVSHCFNKHXXXIS-LLVKDONJSA-N 0 3 263.297 1.209 20 5 CDBDHN CC(C)OCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591760440 342644310 /nfs/dbraw/zinc/64/43/10/342644310.db2.gz FWHKUCKLKWDHOJ-ZDUSSCGKSA-N 0 3 298.339 1.349 20 5 CDBDHN COC[C@H]1C[C@@H](O)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000593067151 342762004 /nfs/dbraw/zinc/76/20/04/342762004.db2.gz UXPBORSUDPVAPN-ZIAGYGMSSA-N 0 3 280.324 1.219 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H](CO)CCF ZINC000593690188 342823442 /nfs/dbraw/zinc/82/34/42/342823442.db2.gz UQAMFJYQANBLIZ-KTLBGCOUSA-N 0 3 268.288 1.918 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2nc3c(s2)CNCC3)cn1 ZINC000600788298 342249406 /nfs/dbraw/zinc/24/94/06/342249406.db2.gz HGFOFZDOUIZSAV-UHFFFAOYSA-N 0 3 262.294 1.759 20 5 CDBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000609382838 342264310 /nfs/dbraw/zinc/26/43/10/342264310.db2.gz FJVKZBASSPECDO-CYBMUJFWSA-N 0 3 289.335 1.809 20 5 CDBDHN C[C@@H](CO)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594501983 342914461 /nfs/dbraw/zinc/91/44/61/342914461.db2.gz ACGHQCOXOWXLFQ-SKDRFNHKSA-N 0 3 250.298 1.800 20 5 CDBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000594964907 342990792 /nfs/dbraw/zinc/99/07/92/342990792.db2.gz CUZYZMSGNCSZRI-SNVBAGLBSA-N 0 3 250.298 1.845 20 5 CDBDHN COCC[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041148 342998304 /nfs/dbraw/zinc/99/83/04/342998304.db2.gz YSLFNAHKPJWEQZ-MNOVXSKESA-N 0 3 298.339 1.651 20 5 CDBDHN CCN1CCN(CCNc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078629767 342338852 /nfs/dbraw/zinc/33/88/52/342338852.db2.gz CLWOFTJBSCSICR-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN CC[C@@H](NC)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000595924305 343192843 /nfs/dbraw/zinc/19/28/43/343192843.db2.gz KQGOZNDIKXFGNF-SNVBAGLBSA-N 0 3 251.286 1.840 20 5 CDBDHN CCN1C[C@@H](C)N(c2ccc(N)c([N+](=O)[O-])n2)C[C@@H]1C ZINC000596176930 343261319 /nfs/dbraw/zinc/26/13/19/343261319.db2.gz LBFUPMXVDNGUFR-VHSXEESVSA-N 0 3 279.344 1.491 20 5 CDBDHN C[C@@H]1CCN[C@@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000126642875 187252907 /nfs/dbraw/zinc/25/29/07/187252907.db2.gz RFPPPZSJAKSYIU-DGCLKSJQSA-N 0 3 291.351 1.941 20 5 CDBDHN CNC(=O)C(C)(C)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000120180470 365744583 /nfs/dbraw/zinc/74/45/83/365744583.db2.gz URGDGPNEEYPWRL-UHFFFAOYSA-N 0 3 279.340 1.765 20 5 CDBDHN COC(=O)c1ccnc(NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000598587020 343835471 /nfs/dbraw/zinc/83/54/71/343835471.db2.gz LUBGRSRJSIUPEF-MRVPVSSYSA-N 0 3 282.300 1.138 20 5 CDBDHN CC1(C)CC[C@@H](CO)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000598647373 343857119 /nfs/dbraw/zinc/85/71/19/343857119.db2.gz LELXPVXULMVUKS-NSHDSACASA-N 0 3 282.344 1.274 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC12CCC2 ZINC000612087018 347010430 /nfs/dbraw/zinc/01/04/30/347010430.db2.gz UIBQEWKCAPCPQI-LBPRGKRZSA-N 0 3 292.335 1.963 20 5 CDBDHN C[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC000136179565 362315082 /nfs/dbraw/zinc/31/50/82/362315082.db2.gz KNKXUZIGDKBTEE-HNNXBMFYSA-N 0 3 291.351 1.786 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC1(C)COC1 ZINC000599571395 344090273 /nfs/dbraw/zinc/09/02/73/344090273.db2.gz FWPBSYNEMOLTBC-UHFFFAOYSA-N 0 3 280.324 1.942 20 5 CDBDHN COc1cc(CNC[C@H]2CC[C@@H](C)O2)c([N+](=O)[O-])cc1O ZINC000453635835 252330056 /nfs/dbraw/zinc/33/00/56/252330056.db2.gz VKGXMVBCYGNWMB-MWLCHTKSSA-N 0 3 296.323 1.966 20 5 CDBDHN Cn1cc(CN2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000602623523 344500864 /nfs/dbraw/zinc/50/08/64/344500864.db2.gz HLLGHNJMZFIVMF-ONGXEEELSA-N 0 3 250.302 1.703 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@]2(CCOC2)C1 ZINC000602787123 344599550 /nfs/dbraw/zinc/59/95/50/344599550.db2.gz IJXHJZIGVPLQSY-CYBMUJFWSA-N 0 3 280.328 1.212 20 5 CDBDHN C[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159727876 362511794 /nfs/dbraw/zinc/51/17/94/362511794.db2.gz JVEPKLSIGGWGML-LLVKDONJSA-N 0 3 265.313 1.631 20 5 CDBDHN CC(C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609544507 345597458 /nfs/dbraw/zinc/59/74/58/345597458.db2.gz WTFMARPYQABOIN-UHFFFAOYSA-N 0 3 282.296 1.227 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057718591 347086831 /nfs/dbraw/zinc/08/68/31/347086831.db2.gz KTXSUBOBSOVRGE-SNVBAGLBSA-N 0 3 277.324 1.807 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@@H]3CCCOC3)C2)nc1 ZINC000610569962 346315156 /nfs/dbraw/zinc/31/51/56/346315156.db2.gz IEHFYRVOMDQWPT-WCQYABFASA-N 0 3 292.339 1.655 20 5 CDBDHN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCCN(C)C1 ZINC000265997983 362695951 /nfs/dbraw/zinc/69/59/51/362695951.db2.gz RKZXNQWFKTWRBY-VIFPVBQESA-N 0 3 266.301 1.089 20 5 CDBDHN CN(C)[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000057838613 348847985 /nfs/dbraw/zinc/84/79/85/348847985.db2.gz LHRKOJXJFPXEST-VIFPVBQESA-N 0 3 295.368 1.834 20 5 CDBDHN C[C@@H](CO)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000111158539 186362825 /nfs/dbraw/zinc/36/28/25/186362825.db2.gz CLXYOSWPPNBVCK-MRVPVSSYSA-N 0 3 258.705 1.966 20 5 CDBDHN CNC(=O)C(C)(C)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000120286960 186889894 /nfs/dbraw/zinc/88/98/94/186889894.db2.gz XVQHAXKHDLPQSH-UHFFFAOYSA-N 0 3 295.339 1.465 20 5 CDBDHN C[C@@]1(O)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000124230244 187127489 /nfs/dbraw/zinc/12/74/89/187127489.db2.gz XIEKCFMIBGIALV-CQSZACIVSA-N 0 3 280.324 1.820 20 5 CDBDHN C[C@H](CN1CCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000036932577 363293562 /nfs/dbraw/zinc/29/35/62/363293562.db2.gz VMFWTEUTGUSKHX-GFCCVEGCSA-N 0 3 279.340 1.405 20 5 CDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1N(C)C ZINC000271775285 191318187 /nfs/dbraw/zinc/31/81/87/191318187.db2.gz JEELEONGFKZUHK-WPRPVWTQSA-N 0 3 299.352 1.305 20 5 CDBDHN CC(C)(C)N1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000558752872 356042773 /nfs/dbraw/zinc/04/27/73/356042773.db2.gz LTYUVEZWGMGGDH-UHFFFAOYSA-N 0 3 295.343 1.264 20 5 CDBDHN CCCC[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236750702 140243839 /nfs/dbraw/zinc/24/38/39/140243839.db2.gz SKJGKRGBPYUVOY-GFCCVEGCSA-N 0 3 279.340 1.771 20 5 CDBDHN CC[C@H](C)N(CCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000287427050 358582744 /nfs/dbraw/zinc/58/27/44/358582744.db2.gz PHEQHMGNAMQORD-SMDDNHRTSA-N 0 3 282.340 1.721 20 5 CDBDHN CC(C)CO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000119794833 359108033 /nfs/dbraw/zinc/10/80/33/359108033.db2.gz ZLBQTKSFELMGQB-LBPRGKRZSA-N 0 3 282.344 1.538 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000121037451 359134193 /nfs/dbraw/zinc/13/41/93/359134193.db2.gz PUBGRRJEDKIZLK-ZJUUUORDSA-N 0 3 281.312 1.600 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H]2CO)cc1 ZINC000050116733 359310554 /nfs/dbraw/zinc/31/05/54/359310554.db2.gz AYPAKLVJPGEDHS-CYBMUJFWSA-N 0 3 250.298 1.594 20 5 CDBDHN Cc1ccc(CN(C)CCC(N)=O)cc1[N+](=O)[O-] ZINC000289668362 359663432 /nfs/dbraw/zinc/66/34/32/359663432.db2.gz NMQODZXZKAVOGK-UHFFFAOYSA-N 0 3 251.286 1.210 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CCO)C(C)(C)C ZINC000355012533 360444554 /nfs/dbraw/zinc/44/45/54/360444554.db2.gz MTCBXBYMIVRYAC-JTQLQIEISA-N 0 3 270.333 1.215 20 5 CDBDHN CCCCN(C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000112309325 360522175 /nfs/dbraw/zinc/52/21/75/360522175.db2.gz BZQGWFSSRAQOOX-UHFFFAOYSA-N 0 3 297.359 1.098 20 5 CDBDHN CCOC(=O)c1ccnc(NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000348158892 360532843 /nfs/dbraw/zinc/53/28/43/360532843.db2.gz PAVWNOSKTDSATL-VIFPVBQESA-N 0 3 296.327 1.529 20 5 CDBDHN CC(C)[C@@H](CO)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000180616543 189266086 /nfs/dbraw/zinc/26/60/86/189266086.db2.gz RUPNFHBRXFWOGZ-LLVKDONJSA-N 0 3 281.312 1.140 20 5 CDBDHN C[C@@]1(CO)CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000545398694 364073372 /nfs/dbraw/zinc/07/33/72/364073372.db2.gz ZFTVGOWAKNPZAO-ZDUSSCGKSA-N 0 3 250.298 1.942 20 5 CDBDHN CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270944248 366947692 /nfs/dbraw/zinc/94/76/92/366947692.db2.gz RXUNTRXKNSYZPN-SWHYSGLUSA-N 0 3 280.324 1.331 20 5 CDBDHN COCCCN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000301150751 368096326 /nfs/dbraw/zinc/09/63/26/368096326.db2.gz MVFFVPPYCJHHIO-UHFFFAOYSA-N 0 3 294.355 1.903 20 5 CDBDHN COc1cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330612969 203039420 /nfs/dbraw/zinc/03/94/20/203039420.db2.gz YJXUDBRAFWYUMP-GXSJLCMTSA-N 0 3 296.323 1.966 20 5 CDBDHN CN1CC=C(CNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420598135 244272560 /nfs/dbraw/zinc/27/25/60/244272560.db2.gz BQSAWHWGOIPTLJ-UHFFFAOYSA-N 0 3 290.323 1.368 20 5 CDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1=CCN(C)CC1 ZINC000330774320 203219206 /nfs/dbraw/zinc/21/92/06/203219206.db2.gz RDTRKXQQWQBSDE-SECBINFHSA-N 0 3 278.312 1.303 20 5 CDBDHN COC(=O)COc1ccc(CNC2CC2)cc1[N+](=O)[O-] ZINC000037703323 369971586 /nfs/dbraw/zinc/97/15/86/369971586.db2.gz GXVOEJAIYQJUJT-UHFFFAOYSA-N 0 3 280.280 1.399 20 5 CDBDHN CCC[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766537 370079382 /nfs/dbraw/zinc/07/93/82/370079382.db2.gz YXMFVAFOOVEBCS-CABZTGNLSA-N 0 3 265.313 1.899 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N(C)C ZINC000298378054 373516662 /nfs/dbraw/zinc/51/66/62/373516662.db2.gz CKNRKLQRXOXERI-SECBINFHSA-N 0 3 296.327 1.675 20 5 CDBDHN C[C@@H]1C[C@@H](CO)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954309 374308642 /nfs/dbraw/zinc/30/86/42/374308642.db2.gz ZKASMXQBSDMAHF-CHWSQXEVSA-N 0 3 294.351 1.924 20 5 CDBDHN CCCC[C@@H](N)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423833247 246127852 /nfs/dbraw/zinc/12/78/52/246127852.db2.gz ZREAJSNVVITIJU-GFCCVEGCSA-N 0 3 292.339 1.392 20 5 CDBDHN C[C@@H](CS(C)(=O)=O)NCCc1ccccc1[N+](=O)[O-] ZINC000081904045 374561763 /nfs/dbraw/zinc/56/17/63/374561763.db2.gz KQUKEGFFOWOYOQ-JTQLQIEISA-N 0 3 286.353 1.160 20 5 CDBDHN CC(C)N(CCN(C)C)c1ncccc1[N+](=O)[O-] ZINC000274398381 374674117 /nfs/dbraw/zinc/67/41/17/374674117.db2.gz XKQWSAHHAHTUFH-UHFFFAOYSA-N 0 3 252.318 1.766 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](CO)[C@@H]1CCCO1 ZINC000447975865 374728643 /nfs/dbraw/zinc/72/86/43/374728643.db2.gz IGSAVUXNMSEEMZ-LXJUILQBSA-N 0 3 292.335 1.738 20 5 CDBDHN Cc1ccc(NC(=O)[C@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000019477064 374736790 /nfs/dbraw/zinc/73/67/90/374736790.db2.gz BCHZBOOFCMWHPM-LLVKDONJSA-N 0 3 251.286 1.825 20 5 CDBDHN COCC(COC)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449544627 374817979 /nfs/dbraw/zinc/81/79/79/374817979.db2.gz QYKZMPPSPOGPND-LLVKDONJSA-N 0 3 282.340 1.777 20 5 CDBDHN Cc1cc(C(=O)NC[C@H]2CCCN2C)cc([N+](=O)[O-])c1 ZINC000139820578 374839385 /nfs/dbraw/zinc/83/93/85/374839385.db2.gz MGKLMRGEMXZTPO-GFCCVEGCSA-N 0 3 277.324 1.727 20 5 CDBDHN C[C@H](NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000020091512 374844453 /nfs/dbraw/zinc/84/44/53/374844453.db2.gz AZNPBQKHQYUERT-LBPRGKRZSA-N 0 3 279.340 1.578 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(N(C)C)CCC1 ZINC000332438739 375031336 /nfs/dbraw/zinc/03/13/36/375031336.db2.gz BPNQYIZPNBXXFU-UHFFFAOYSA-N 0 3 292.339 1.512 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493450406 375454222 /nfs/dbraw/zinc/45/42/22/375454222.db2.gz LGGXBQDDOSEDCP-IQQGHNRFSA-N 0 3 277.324 1.674 20 5 CDBDHN CC[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000305083420 375548503 /nfs/dbraw/zinc/54/85/03/375548503.db2.gz NDFXUNQHVWRKDR-ZYHUDNBSSA-N 0 3 280.328 1.247 20 5 CDBDHN C[C@@H]1CCN(C)CCN1c1ncccc1[N+](=O)[O-] ZINC000354089484 375675195 /nfs/dbraw/zinc/67/51/95/375675195.db2.gz DOAPMAUCCAXVNF-SNVBAGLBSA-N 0 3 250.302 1.520 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1C ZINC000357407152 375905126 /nfs/dbraw/zinc/90/51/26/375905126.db2.gz DYAPPCJGXUHVGK-CABZTGNLSA-N 0 3 295.314 1.946 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000457215622 252479558 /nfs/dbraw/zinc/47/95/58/252479558.db2.gz ZQHYLOQFBOZCGZ-UHFFFAOYSA-N 0 3 279.340 1.594 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCCN1C ZINC000345308466 377905261 /nfs/dbraw/zinc/90/52/61/377905261.db2.gz XMDKPQXOXFKPSQ-KOLCDFICSA-N 0 3 292.339 1.390 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C)CC2)c1 ZINC000173748008 379048179 /nfs/dbraw/zinc/04/81/79/379048179.db2.gz SAQCYAYRYVMUFU-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CCOC[C@@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447538391 250382855 /nfs/dbraw/zinc/38/28/55/250382855.db2.gz BXISFNQHQXYXFI-DZGCQCFKSA-N 0 3 294.351 1.959 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](CO)[C@H]1CCCO1 ZINC000447975864 250461290 /nfs/dbraw/zinc/46/12/90/250461290.db2.gz IGSAVUXNMSEEMZ-DFCLBCNGSA-N 0 3 292.335 1.738 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@H]1CCCN1CCCO ZINC000450592899 251356203 /nfs/dbraw/zinc/35/62/03/251356203.db2.gz HXLWTJVSZXKPEZ-LLVKDONJSA-N 0 3 280.328 1.249 20 5 CDBDHN CNC(=O)[C@@]1(C)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000281127411 195114343 /nfs/dbraw/zinc/11/43/43/195114343.db2.gz NAFPVORHLNQTEO-HNNXBMFYSA-N 0 3 291.351 1.861 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000122819065 392221368 /nfs/dbraw/zinc/22/13/68/392221368.db2.gz JJLMCEOMDHUEBG-MNOVXSKESA-N 0 3 252.318 1.769 20 5 CDBDHN C[C@@H]1C[C@H]1N1CCN(c2c([N+](=O)[O-])ncn2C)C[C@@H](C)C1 ZINC000488774454 392725864 /nfs/dbraw/zinc/72/58/64/392725864.db2.gz YNMAHYSWSOVYKC-QJPTWQEYSA-N 0 3 293.371 1.495 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000524776422 392919515 /nfs/dbraw/zinc/91/95/15/392919515.db2.gz DEKLYUGFZOIGPV-LBPRGKRZSA-N 0 3 291.351 1.595 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000422036134 392951179 /nfs/dbraw/zinc/95/11/79/392951179.db2.gz MSHCJFYASVEJMO-SNVBAGLBSA-N 0 3 292.339 1.343 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000430199666 393091505 /nfs/dbraw/zinc/09/15/05/393091505.db2.gz DDLUOEUAJGZLOY-BPNCWPANSA-N 0 3 292.335 1.806 20 5 CDBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000275196753 135104676 /nfs/dbraw/zinc/10/46/76/135104676.db2.gz AIUIVIZJILYMRI-NWDGAFQWSA-N 0 3 279.340 1.486 20 5 CDBDHN COc1cccc(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000195326559 140153433 /nfs/dbraw/zinc/15/34/33/140153433.db2.gz XRIBJTOLFPBQFL-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CS[C@H](CO)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000219075111 140166329 /nfs/dbraw/zinc/16/63/29/140166329.db2.gz JRYTZMPGOAQCGR-JOYOIKCWSA-N 0 3 270.354 1.797 20 5 CDBDHN C[C@H](CC[S@](C)=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000228346751 140194721 /nfs/dbraw/zinc/19/47/21/140194721.db2.gz PJNNDKVNPWILDV-MGNBDDOMSA-N 0 3 270.354 1.842 20 5 CDBDHN CCC[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231856887 140219962 /nfs/dbraw/zinc/21/99/62/140219962.db2.gz NPXHHTPMZGGGFR-LLVKDONJSA-N 0 3 265.313 1.647 20 5 CDBDHN COCCNCCNc1c(F)cccc1[N+](=O)[O-] ZINC000261584596 140356617 /nfs/dbraw/zinc/35/66/17/140356617.db2.gz SKBASKJHBNPEKP-UHFFFAOYSA-N 0 3 257.265 1.382 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC2(O)CCOCC2)c(F)c1 ZINC000313691217 149246729 /nfs/dbraw/zinc/24/67/29/149246729.db2.gz QZVOHAVFOHWDPC-UHFFFAOYSA-N 0 3 284.287 1.365 20 5 CDBDHN C[C@@H]1[C@H](Nc2c([N+](=O)[O-])ncn2C)CCCN1C ZINC000343451223 152182942 /nfs/dbraw/zinc/18/29/42/152182942.db2.gz FTZQHSRFCMGIGU-RKDXNWHRSA-N 0 3 253.306 1.223 20 5 CDBDHN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000349325948 154088848 /nfs/dbraw/zinc/08/88/48/154088848.db2.gz KHHGXMWDVIXSMT-UHFFFAOYSA-N 0 3 289.295 1.632 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](C)C1 ZINC000349878277 154253772 /nfs/dbraw/zinc/25/37/72/154253772.db2.gz VQJJXICXZXLEFH-NXEZZACHSA-N 0 3 295.343 1.168 20 5 CDBDHN CCCC[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000354074487 156255706 /nfs/dbraw/zinc/25/57/06/156255706.db2.gz VEVOKBHYYQNBPG-JTQLQIEISA-N 0 3 291.311 1.349 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000359606606 158308086 /nfs/dbraw/zinc/30/80/86/158308086.db2.gz YPFLXRLBBLSAMV-UHFFFAOYSA-N 0 3 285.731 1.882 20 5 CDBDHN Cn1cc(CNCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000040675914 174373370 /nfs/dbraw/zinc/37/33/70/174373370.db2.gz VIBZVTQIEDVNEF-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN CCN1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078596953 177357987 /nfs/dbraw/zinc/35/79/87/177357987.db2.gz BIPRJWZVZNSOBL-UHFFFAOYSA-N 0 3 291.351 1.692 20 5 CDBDHN CS[C@H](CO)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000219070130 277526232 /nfs/dbraw/zinc/52/62/32/277526232.db2.gz HQLMGGWYMUQMKO-BXKDBHETSA-N 0 3 270.354 1.797 20 5 CDBDHN CCOCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665284 279210707 /nfs/dbraw/zinc/21/07/07/279210707.db2.gz CNMBWPRGLOIVEO-NSHDSACASA-N 0 3 280.328 1.513 20 5 CDBDHN C[C@H](CCN1CCOCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000124243245 279263984 /nfs/dbraw/zinc/26/39/84/279263984.db2.gz YIGLQAGCGXERIJ-CYBMUJFWSA-N 0 3 293.367 1.795 20 5 CDBDHN C[C@H](c1ccco1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247343670 280329131 /nfs/dbraw/zinc/32/91/31/280329131.db2.gz GGBFAOMMHQROCV-ZYHUDNBSSA-N 0 3 294.311 1.438 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000086467344 288328302 /nfs/dbraw/zinc/32/83/02/288328302.db2.gz RRCWQZQUYJLTDO-VHSXEESVSA-N 0 3 263.297 1.417 20 5 CDBDHN C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000561616414 293095312 /nfs/dbraw/zinc/09/53/12/293095312.db2.gz QXONGOHOAYQDNR-UWVGGRQHSA-N 0 3 293.327 1.017 20 5 CDBDHN CC(C)NCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000568648790 294077909 /nfs/dbraw/zinc/07/79/09/294077909.db2.gz JWBKKKUHYGXHQI-UHFFFAOYSA-N 0 3 263.297 1.482 20 5 CDBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C)CC1 ZINC000570399090 294231334 /nfs/dbraw/zinc/23/13/34/294231334.db2.gz JEWOUNAIJCYOER-UHFFFAOYSA-N 0 3 292.339 1.917 20 5 CDBDHN CN(C(=O)c1c[nH]nc1[N+](=O)[O-])C(C)(C)CN1CCCC1 ZINC000563519977 316322877 /nfs/dbraw/zinc/32/28/77/316322877.db2.gz VZVPRORGJFCENA-UHFFFAOYSA-N 0 3 295.343 1.264 20 5 CDBDHN CN(C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000337020860 521795436 /nfs/dbraw/zinc/79/54/36/521795436.db2.gz RBLJPPRNYCOJEE-SECBINFHSA-N 0 3 286.357 1.208 20 5 CDBDHN Cc1ccc(CNCCOCCO)cc1[N+](=O)[O-] ZINC000034995758 524577713 /nfs/dbraw/zinc/57/77/13/524577713.db2.gz CBYNDWBSYONQQR-UHFFFAOYSA-N 0 3 254.286 1.002 20 5 CDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000337295334 524938921 /nfs/dbraw/zinc/93/89/21/524938921.db2.gz AIVJHYFDDISTLA-ZWNOBZJWSA-N 0 3 293.323 1.236 20 5 CDBDHN O=C(NCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000052851681 526305721 /nfs/dbraw/zinc/30/57/21/526305721.db2.gz WUPCYNVNZRNQMR-UHFFFAOYSA-N 0 3 263.297 1.420 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CNCCO2)c2ccncc21 ZINC000157406490 527366207 /nfs/dbraw/zinc/36/62/07/527366207.db2.gz FVUJEAZWVMZFBJ-SNVBAGLBSA-N 0 3 288.307 1.543 20 5 CDBDHN C[C@@H](OC(=O)C1CCN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000774012139 575848130 /nfs/dbraw/zinc/84/81/30/575848130.db2.gz BFBYVMHKTCJPBP-KOLCDFICSA-N 0 3 292.291 1.677 20 5 CDBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000768526612 576293128 /nfs/dbraw/zinc/29/31/28/576293128.db2.gz OFIDXKVALVSSFK-DTWKUNHWSA-N 0 3 291.311 1.660 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000759873430 576440080 /nfs/dbraw/zinc/44/00/80/576440080.db2.gz NKSGLOVSXBAAEU-WXRRBKDZSA-N 0 3 266.297 1.083 20 5 CDBDHN Cc1cc(F)cc(C(=O)NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000758453486 577109396 /nfs/dbraw/zinc/10/93/96/577109396.db2.gz UYVSESBVYSRDCS-UHFFFAOYSA-N 0 3 295.314 1.866 20 5 CDBDHN O=[N+]([O-])c1cnn(CCNCc2cn3ccnc3s2)c1 ZINC000893133726 617402263 /nfs/dbraw/zinc/40/22/63/617402263.db2.gz FVWQTQOHSDRJNJ-UHFFFAOYSA-N 0 3 292.324 1.290 20 5 CDBDHN CC(=O)N(CC(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000893045581 618093551 /nfs/dbraw/zinc/09/35/51/618093551.db2.gz YEYPKFHXQYEDCW-JTQLQIEISA-N 0 3 280.280 1.248 20 5 CDBDHN CN1C[C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000893941176 618204477 /nfs/dbraw/zinc/20/44/77/618204477.db2.gz RNICULWTRHKXQU-RNCFNFMXSA-N 0 3 265.288 1.874 20 5 CDBDHN CC[C@H](CNCc1ccc(O)c(OC)c1[N+](=O)[O-])OC ZINC000894554473 618961375 /nfs/dbraw/zinc/96/13/75/618961375.db2.gz DRBYFNQLXAQWIH-SNVBAGLBSA-N 0 3 284.312 1.824 20 5 CDBDHN CC[C@@H](CNCC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905271376 626727724 /nfs/dbraw/zinc/72/77/24/626727724.db2.gz CAJRLRLGLARQIQ-VIFPVBQESA-N 0 3 261.322 1.156 20 5 CDBDHN C[C@@H](Nc1cc([N+](=O)[O-])c2nccn2c1)[C@@H]1CNCCO1 ZINC001170568388 1162947665 /nfs/dbraw/zinc/94/76/65/1162947665.db2.gz OCTGVDQCUURKPM-SKDRFNHKSA-N 0 3 291.311 1.031 20 5 CDBDHN Cc1cccc(N[C@@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170567744 1162951018 /nfs/dbraw/zinc/95/10/18/1162951018.db2.gz LTWPKYOQMQRNED-JQWIXIFHSA-N 0 3 265.313 1.692 20 5 CDBDHN C[C@H](Nc1cc(F)cc(F)c1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170571135 1162960120 /nfs/dbraw/zinc/96/01/20/1162960120.db2.gz YISUGMAWEQKAQN-CPCISQLKSA-N 0 3 287.266 1.662 20 5 CDBDHN O=[N+]([O-])c1ccc2nc(N3CCNC4(CC4)C3)cnc2c1 ZINC001158933324 1163841635 /nfs/dbraw/zinc/84/16/35/1163841635.db2.gz KZGFTCXKMHPNMW-UHFFFAOYSA-N 0 3 285.307 1.480 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2ccns2)cc1 ZINC000404397429 1186513926 /nfs/dbraw/zinc/51/39/26/1186513926.db2.gz PIJQYDGIXLWQGJ-LBPRGKRZSA-N 0 3 279.321 1.875 20 5 CDBDHN C[C@@H]1[C@@H](C)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000776597109 750189862 /nfs/dbraw/zinc/18/98/62/750189862.db2.gz HJIPJSSFBRMFFB-JMSVASOKSA-N 0 3 293.367 1.653 20 5 CDBDHN C[C@@H](NC1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000036331096 750324520 /nfs/dbraw/zinc/32/45/20/750324520.db2.gz SMILXLUYKZSOMU-SNVBAGLBSA-N 0 3 298.364 1.823 20 5 CDBDHN COc1ccc(CNCCN(C)OC)cc1[N+](=O)[O-] ZINC000883172230 751115282 /nfs/dbraw/zinc/11/52/82/751115282.db2.gz AMBHUSZWBIPPOS-UHFFFAOYSA-N 0 3 269.301 1.186 20 5 CDBDHN CC[C@]1(O)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000879313725 752372948 /nfs/dbraw/zinc/37/29/48/752372948.db2.gz OFPWFLNMXHILJE-GJZGRUSLSA-N 0 3 294.351 1.865 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000086468399 752773905 /nfs/dbraw/zinc/77/39/05/752773905.db2.gz LNSBSXVUKOCTFR-VHSXEESVSA-N 0 3 278.312 1.809 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1COC[C@@H]1C ZINC000932495334 753030712 /nfs/dbraw/zinc/03/07/12/753030712.db2.gz ZYSDBMISLURYAS-GWCFXTLKSA-N 0 3 293.323 1.466 20 5 CDBDHN CC(COC(=O)/C=C/c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000813102773 753545760 /nfs/dbraw/zinc/54/57/60/753545760.db2.gz VGSCQGJBSQVNIN-SGRBOOSSSA-N 0 3 279.248 1.637 20 5 CDBDHN CC(COC(=O)C1(C(=O)OC(C)(C)C)CCC1)[N+](=O)[O-] ZINC000851036575 753794470 /nfs/dbraw/zinc/79/44/70/753794470.db2.gz KMCPZOWUSROZJP-SECBINFHSA-N 0 3 287.312 1.707 20 5 CDBDHN CN1C[C@H](CNc2cc3c(cc2[N+](=O)[O-])CNC3)CC1=O ZINC001168726676 921609064 /nfs/dbraw/zinc/60/90/64/921609064.db2.gz MVSFWSQTLAVRMM-VIFPVBQESA-N 0 3 290.323 1.088 20 5 CDBDHN Cc1cc(Cl)nc(-n2ncc3c2CCNC3)c1[N+](=O)[O-] ZINC001165219476 925001248 /nfs/dbraw/zinc/00/12/48/925001248.db2.gz SSBHKSAFYUJVNI-UHFFFAOYSA-N 0 3 293.714 1.783 20 5 CDBDHN NC(=O)[C@@H](N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168975867 927599417 /nfs/dbraw/zinc/59/94/17/927599417.db2.gz XRQLTUABVVNCGH-RTXFEEFZSA-N 0 3 277.324 1.248 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCOCC23CCC3)C1 ZINC001169033929 927641425 /nfs/dbraw/zinc/64/14/25/927641425.db2.gz DUHNDWNNMUHZBA-NWDGAFQWSA-N 0 3 254.330 1.687 20 5 CDBDHN Cc1nc(N[C@@H](C)[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC001159489620 930269958 /nfs/dbraw/zinc/26/99/58/930269958.db2.gz PVCYOIAUCGGMER-ONGXEEELSA-N 0 3 266.301 1.087 20 5 CDBDHN N[C@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1F ZINC001246526286 931584495 /nfs/dbraw/zinc/58/44/95/931584495.db2.gz AFMYCBJNJSHOAW-XQQFMLRXSA-N 0 3 265.288 1.043 20 5 CDBDHN C[C@H](CCO)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001308722566 931912668 /nfs/dbraw/zinc/91/26/68/931912668.db2.gz LYIPYSXPSNZGLZ-MRVPVSSYSA-N 0 3 264.285 1.332 20 5 CDBDHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC001122949783 936087998 /nfs/dbraw/zinc/08/79/98/936087998.db2.gz BZCMQYKDTJIWRQ-SNVBAGLBSA-N 0 3 267.281 1.755 20 5 CDBDHN NCc1nn(-c2ccc([N+](=O)[O-])c(N)n2)c2ccccc12 ZINC001156860987 938426961 /nfs/dbraw/zinc/42/69/61/938426961.db2.gz XQXODTKMNCNZDJ-UHFFFAOYSA-N 0 3 284.279 1.370 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCN2CC[C@H]2C1 ZINC001158423843 938622281 /nfs/dbraw/zinc/62/22/81/938622281.db2.gz NLKHIAVAJWGHLM-NSHDSACASA-N 0 3 285.307 1.432 20 5 CDBDHN C[C@@H](Nc1cc(Cl)cc([N+](=O)[O-])n1)[C@@H]1CNCCO1 ZINC001159501176 938736310 /nfs/dbraw/zinc/73/63/10/938736310.db2.gz YVUINHGMKKYXCI-APPZFPTMSA-N 0 3 286.719 1.432 20 5 CDBDHN CN1CCC[C@@](C)(Nc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162331134 939025595 /nfs/dbraw/zinc/02/55/95/939025595.db2.gz LQBXEDXAFAHXOX-GFCCVEGCSA-N 0 3 266.301 1.124 20 5 CDBDHN Cc1nc(N[C@@]2(C)CCCN(C)C2)ncc1[N+](=O)[O-] ZINC001162340437 939030024 /nfs/dbraw/zinc/03/00/24/939030024.db2.gz SNJOTPSHEACGPF-LBPRGKRZSA-N 0 3 265.317 1.589 20 5 CDBDHN CN(C)C1(C)CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001165117026 939511930 /nfs/dbraw/zinc/51/19/30/939511930.db2.gz PKPRIIGPKYQYKQ-UHFFFAOYSA-N 0 3 270.720 1.784 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CO[C@H]1CCN(C)C1 ZINC001223103706 941658376 /nfs/dbraw/zinc/65/83/76/941658376.db2.gz DTLPETGAISUJKQ-LBPRGKRZSA-N 0 3 266.297 1.824 20 5 CDBDHN Cc1cc(OC2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001225658035 941895270 /nfs/dbraw/zinc/89/52/70/941895270.db2.gz XPAOFJSMJHYUJQ-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN CCN1CCC[C@@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227990279 942253274 /nfs/dbraw/zinc/25/32/74/942253274.db2.gz IVTZOKWONCELQN-LLVKDONJSA-N 0 3 251.286 1.853 20 5 CDBDHN CCN1CCC(Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228656448 942348461 /nfs/dbraw/zinc/34/84/61/942348461.db2.gz DXUIHHBPWPSDPG-UHFFFAOYSA-N 0 3 252.274 1.248 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230792225 942697565 /nfs/dbraw/zinc/69/75/65/942697565.db2.gz MMUWXRVWRHAKAQ-MRVPVSSYSA-O 0 3 270.378 1.304 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1cnccn1)C2 ZINC001254573095 947533714 /nfs/dbraw/zinc/53/37/14/947533714.db2.gz WQCFKZYSEILXBY-GFCCVEGCSA-N 0 3 270.292 1.642 20 5 CDBDHN CC(=O)N[C@@H]1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254605557 947553976 /nfs/dbraw/zinc/55/39/76/947553976.db2.gz BOTRWGFCVGKJCD-HIFRSBDPSA-N 0 3 289.335 1.272 20 5 CDBDHN CC(C)[C@H](CNCC[N+](=O)[O-])Nc1ccccc1 ZINC001336756998 960552631 /nfs/dbraw/zinc/55/26/31/960552631.db2.gz VUWZSRLKNPGTQT-ZDUSSCGKSA-N 0 3 251.330 1.989 20 5 CDBDHN CC(COC(=O)c1ccn(CC(F)(F)F)n1)[N+](=O)[O-] ZINC001344998814 964525849 /nfs/dbraw/zinc/52/58/49/964525849.db2.gz UVOZYOZDYXPFES-ZCFIWIBFSA-N 0 3 281.190 1.267 20 5 CDBDHN CC(COC(=O)c1ccc(C(F)F)nc1)[N+](=O)[O-] ZINC000847714328 968005113 /nfs/dbraw/zinc/00/51/13/968005113.db2.gz QFWDJGJQJFWDFM-LURJTMIESA-N 0 3 260.196 1.841 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1COCC[C@H]1O ZINC000601306622 342551314 /nfs/dbraw/zinc/55/13/14/342551314.db2.gz NICJSRQRMJNBCR-OUCADQQQSA-N 0 3 278.308 1.322 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000046273177 342055033 /nfs/dbraw/zinc/05/50/33/342055033.db2.gz SLUSKIAUVCHTHD-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN O=C1NCCC[C@@H]1CNCc1cccc([N+](=O)[O-])c1 ZINC000590971865 342612504 /nfs/dbraw/zinc/61/25/04/342612504.db2.gz RDBSPLULYWZEBD-LLVKDONJSA-N 0 3 263.297 1.211 20 5 CDBDHN CCN1C[C@H](CNCc2csc([N+](=O)[O-])c2)CC1=O ZINC000593686605 342822197 /nfs/dbraw/zinc/82/21/97/342822197.db2.gz JKUSDRJQUJXOIE-VIFPVBQESA-N 0 3 283.353 1.614 20 5 CDBDHN COc1ccc(CN(C[C@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594055705 342869412 /nfs/dbraw/zinc/86/94/12/342869412.db2.gz ONGXMOURXQWPLN-JTQLQIEISA-N 0 3 280.324 1.949 20 5 CDBDHN CC[C@@H](NC[C@H]1COCCN1)c1cccc([N+](=O)[O-])c1 ZINC000600710970 342243690 /nfs/dbraw/zinc/24/36/90/342243690.db2.gz RCDDCEGLUMLYGK-GXTWGEPZSA-N 0 3 279.340 1.624 20 5 CDBDHN C[C@H](CCO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496281 342914025 /nfs/dbraw/zinc/91/40/25/342914025.db2.gz YYFKUJLJAFMCOO-SKDRFNHKSA-N 0 3 250.298 1.943 20 5 CDBDHN CCO[C@@H]1COC[C@H]1NCCOc1ccc([N+](=O)[O-])cc1 ZINC000451931286 362049099 /nfs/dbraw/zinc/04/90/99/362049099.db2.gz BGYYUOCKTISXDR-ZIAGYGMSSA-N 0 3 296.323 1.367 20 5 CDBDHN Cc1n[nH]c(C(=O)N(C)C[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000265322860 362132248 /nfs/dbraw/zinc/13/22/48/362132248.db2.gz QXHGCVGPSAVOEV-SNVBAGLBSA-N 0 3 295.343 1.040 20 5 CDBDHN C[NH+](C)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596210519 343267495 /nfs/dbraw/zinc/26/74/95/343267495.db2.gz ZLPPWFJAQMBUMI-JTQLQIEISA-N 0 3 280.328 1.616 20 5 CDBDHN Nc1ccc(NC[C@H]2CCCCN2C2CC2)nc1[N+](=O)[O-] ZINC000596211560 343267844 /nfs/dbraw/zinc/26/78/44/343267844.db2.gz UINUIGYMPONRAZ-LLVKDONJSA-N 0 3 291.355 1.423 20 5 CDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000598261871 343743933 /nfs/dbraw/zinc/74/39/33/343743933.db2.gz HIOSRBKSCKZHNF-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN Cc1c([C@H](C)N[C@@H]2CCOC[C@H]2O)cccc1[N+](=O)[O-] ZINC000599081575 343957108 /nfs/dbraw/zinc/95/71/08/343957108.db2.gz PFMOTDGKZSZMCO-ZKYQVNSYSA-N 0 3 280.324 1.704 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN[C@@H](CO)CC(F)F)cc1 ZINC000602636484 344510255 /nfs/dbraw/zinc/51/02/55/344510255.db2.gz IMIZVIQOMWZACK-SNVBAGLBSA-N 0 3 274.267 1.743 20 5 CDBDHN CO[C@@]1(CN(C)CCc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000602658094 344518827 /nfs/dbraw/zinc/51/88/27/344518827.db2.gz JBJCZHYCUKWRQO-OAHLLOKOSA-N 0 3 294.351 1.875 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)S[C@@H](C)C1 ZINC000602778186 344594063 /nfs/dbraw/zinc/59/40/63/344594063.db2.gz CPUYDRGINIJOHW-UWVGGRQHSA-N 0 3 284.385 1.926 20 5 CDBDHN CCO[C@@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602842179 344622210 /nfs/dbraw/zinc/62/22/10/344622210.db2.gz QQQBVYIJACCKCD-WCQYABFASA-N 0 3 296.371 1.847 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](CCO)CC1 ZINC000602846134 344624132 /nfs/dbraw/zinc/62/41/32/344624132.db2.gz NAOBDKCAUBJWBA-ZDUSSCGKSA-N 0 3 296.371 1.584 20 5 CDBDHN COCCC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602915210 344648022 /nfs/dbraw/zinc/64/80/22/344648022.db2.gz HWOPAMBRIWDOMK-UHFFFAOYSA-N 0 3 296.371 1.848 20 5 CDBDHN O=[N+]([O-])c1ccccc1NC[C@H]1CSCCN1 ZINC000603419335 344807751 /nfs/dbraw/zinc/80/77/51/344807751.db2.gz LZTCEVVFICSVKL-VIFPVBQESA-N 0 3 253.327 1.712 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCOCCN(C)C ZINC000538653236 282416318 /nfs/dbraw/zinc/41/63/18/282416318.db2.gz OOHCWLNRBPKSSR-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC[C@]1(OC)CCOC1 ZINC000160313008 345796533 /nfs/dbraw/zinc/79/65/33/345796533.db2.gz SZPWHMMNEWSTSE-CQSZACIVSA-N 0 3 296.323 1.499 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000609664492 345987877 /nfs/dbraw/zinc/98/78/77/345987877.db2.gz KGGIDIJANHJJOP-LLVKDONJSA-N 0 3 294.355 1.347 20 5 CDBDHN COC1CCN(CCNc2cccnc2[N+](=O)[O-])CC1 ZINC000610573626 346316711 /nfs/dbraw/zinc/31/67/11/346316711.db2.gz BETMWVFNXPPRTL-UHFFFAOYSA-N 0 3 280.328 1.513 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@@H]1CCN(C2CC2)C1 ZINC000037404458 346353819 /nfs/dbraw/zinc/35/38/19/346353819.db2.gz PKEKQNRBTNVMOJ-JTQLQIEISA-N 0 3 262.313 1.886 20 5 CDBDHN C[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])N(C)C ZINC000068201946 349054732 /nfs/dbraw/zinc/05/47/32/349054732.db2.gz ADHUVFPUJFGGHD-SNVBAGLBSA-N 0 3 280.328 1.073 20 5 CDBDHN CN1CCO[C@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000105471991 186059221 /nfs/dbraw/zinc/05/92/21/186059221.db2.gz GILACSWPMDAEFO-CYBMUJFWSA-N 0 3 265.313 1.015 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCSCCCO)cc1 ZINC000105643806 186067111 /nfs/dbraw/zinc/06/71/11/186067111.db2.gz NFJJEAUMYZAMJB-UHFFFAOYSA-N 0 3 270.354 1.800 20 5 CDBDHN COC[C@H](C)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365119909 522599104 /nfs/dbraw/zinc/59/91/04/522599104.db2.gz DVZORELNQYJMAV-JTQLQIEISA-N 0 3 268.317 1.463 20 5 CDBDHN C[C@H](CN(C)C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000167254813 363083811 /nfs/dbraw/zinc/08/38/11/363083811.db2.gz KIEPOCVNMIFFGV-SECBINFHSA-N 0 3 292.339 1.842 20 5 CDBDHN Cc1ccc([C@@H](C)N[C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000122148265 187017448 /nfs/dbraw/zinc/01/74/48/187017448.db2.gz PCKPTWUUCFLBBO-VHSXEESVSA-N 0 3 265.313 1.818 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](O)C2)c1 ZINC000152289804 188007269 /nfs/dbraw/zinc/00/72/69/188007269.db2.gz IAFAFZLAAJNCQA-LLVKDONJSA-N 0 3 252.270 1.040 20 5 CDBDHN NC(=O)[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000157095487 188297311 /nfs/dbraw/zinc/29/73/11/188297311.db2.gz ZJUAJZMGLHMWRK-OGOUPESXSA-N 0 3 275.308 1.415 20 5 CDBDHN CC(C)C[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236686067 363366208 /nfs/dbraw/zinc/36/62/08/363366208.db2.gz HTAAOWGQBCLTCG-NSHDSACASA-N 0 3 294.355 1.496 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CN3CCC[C@@H]3CO2)cs1 ZINC000112839404 366160218 /nfs/dbraw/zinc/16/02/18/366160218.db2.gz QEZJHSUECBHFMO-VXGBXAGGSA-N 0 3 297.380 1.609 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000408468115 283083614 /nfs/dbraw/zinc/08/36/14/283083614.db2.gz PZSXKTKWARAPPE-MFKMUULPSA-N 0 3 275.308 1.371 20 5 CDBDHN CC[C@@H](N[C@H](CO)COC)c1cccc([N+](=O)[O-])c1 ZINC000233899616 356414788 /nfs/dbraw/zinc/41/47/88/356414788.db2.gz GTRQTUVPCDAPDC-DGCLKSJQSA-N 0 3 268.313 1.643 20 5 CDBDHN CCc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000175598112 356645906 /nfs/dbraw/zinc/64/59/06/356645906.db2.gz KQVPXYVPEJSPEJ-UHFFFAOYSA-N 0 3 265.313 1.449 20 5 CDBDHN CCOc1cccc(NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000135060183 357314796 /nfs/dbraw/zinc/31/47/96/357314796.db2.gz LOIXLOQSSLHYAB-JTQLQIEISA-N 0 3 281.312 1.394 20 5 CDBDHN Cc1cnn(C)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000286582587 357475538 /nfs/dbraw/zinc/47/55/38/357475538.db2.gz QGMZWECLAXIMJN-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CC[C@@H](O)C2)cs1 ZINC000188816051 357940856 /nfs/dbraw/zinc/94/08/56/357940856.db2.gz IIYPIHWPNOQMCF-PSASIEDQSA-N 0 3 256.327 1.907 20 5 CDBDHN CCN(CC)CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000337611729 358092423 /nfs/dbraw/zinc/09/24/23/358092423.db2.gz VMCQBDXCYGMIBS-UHFFFAOYSA-N 0 3 279.340 1.861 20 5 CDBDHN Cc1ccc(OC[C@@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000290780868 358423354 /nfs/dbraw/zinc/42/33/54/358423354.db2.gz MYVXNZQMGAULTL-LBPRGKRZSA-N 0 3 280.324 1.737 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(CO)COC1 ZINC000539053797 358942575 /nfs/dbraw/zinc/94/25/75/358942575.db2.gz HBBKIAWWJIPKNC-LLVKDONJSA-N 0 3 280.324 1.563 20 5 CDBDHN CC(C)c1ccc(CNC[C@@H](O)CO)cc1[N+](=O)[O-] ZINC000347499022 359398806 /nfs/dbraw/zinc/39/88/06/359398806.db2.gz GBQLWYXALBHODI-LLVKDONJSA-N 0 3 268.313 1.161 20 5 CDBDHN CC(C)[C@@](C)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)C(N)=O ZINC000297674408 200259184 /nfs/dbraw/zinc/25/91/84/200259184.db2.gz OUOKOKZRAPHRSN-GXTWGEPZSA-N 0 3 295.339 1.118 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN[C@@H](CO)c2ccc(F)cc2)n1 ZINC000273125021 239045364 /nfs/dbraw/zinc/04/53/64/239045364.db2.gz QECLBJFYWOYYID-LBPRGKRZSA-N 0 3 294.286 1.254 20 5 CDBDHN Cc1c(CN2C[C@H](O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000340906217 363865451 /nfs/dbraw/zinc/86/54/51/363865451.db2.gz ATWWYIPGBKZWSV-BXKDBHETSA-N 0 3 250.298 1.858 20 5 CDBDHN C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N(C)C ZINC000037985588 363961487 /nfs/dbraw/zinc/96/14/87/363961487.db2.gz KSBXLAWILWNWMG-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN CN(C)C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000268188904 364436860 /nfs/dbraw/zinc/43/68/60/364436860.db2.gz RYAZWFCAHGDRPA-VIFPVBQESA-N 0 3 283.353 1.823 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000152915746 367003254 /nfs/dbraw/zinc/00/32/54/367003254.db2.gz FTTAZMBHGYOOTK-YPMHNXCESA-N 0 3 280.328 1.292 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000456159603 252416255 /nfs/dbraw/zinc/41/62/55/252416255.db2.gz FPWWMJLJYRRRKF-OCCSQVGLSA-N 0 3 289.335 1.300 20 5 CDBDHN COc1cc(C[NH2+][C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000330612971 203037619 /nfs/dbraw/zinc/03/76/19/203037619.db2.gz YJXUDBRAFWYUMP-MWLCHTKSSA-N 0 3 296.323 1.966 20 5 CDBDHN CC(C)NCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668507 369784888 /nfs/dbraw/zinc/78/48/88/369784888.db2.gz NLDHREVBUIPAET-UHFFFAOYSA-N 0 3 251.286 1.209 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000356434325 372829761 /nfs/dbraw/zinc/82/97/61/372829761.db2.gz WMWPTXCZXHMLPY-MNOVXSKESA-N 0 3 294.355 1.346 20 5 CDBDHN CCN1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269678766 373687255 /nfs/dbraw/zinc/68/72/55/373687255.db2.gz QHBQSKIFJJAEEO-OAHLLOKOSA-N 0 3 293.367 1.656 20 5 CDBDHN NC(=O)C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208332 374256859 /nfs/dbraw/zinc/25/68/59/374256859.db2.gz YTJVFMVHRIALKX-UHFFFAOYSA-N 0 3 293.323 1.171 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@](O)(C3CC3)C2)c1 ZINC000370082827 374378313 /nfs/dbraw/zinc/37/83/13/374378313.db2.gz OMWQQPMDHGKUQT-GJZGRUSLSA-N 0 3 292.335 1.475 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000423473653 374383848 /nfs/dbraw/zinc/38/38/48/374383848.db2.gz HKWUGOMNAGNCHL-GXTWGEPZSA-N 0 3 292.383 1.457 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000375695967 374507650 /nfs/dbraw/zinc/50/76/50/374507650.db2.gz GFNRLSJQHRXLEE-RYUDHWBXSA-N 0 3 292.339 1.452 20 5 CDBDHN CCC[C@H](NC[C@@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154319082 374695989 /nfs/dbraw/zinc/69/59/89/374695989.db2.gz QNUSOKKMVAHSME-CABCVRRESA-N 0 3 295.383 1.948 20 5 CDBDHN Cc1c([C@H](C)NC[C@@H](O)CN(C)C)cccc1[N+](=O)[O-] ZINC000154310475 374695407 /nfs/dbraw/zinc/69/54/07/374695407.db2.gz YZIPYLNCVBQTDV-NWDGAFQWSA-N 0 3 281.356 1.476 20 5 CDBDHN Cc1ccc(CNC[C@@H](CO)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000280319280 374990779 /nfs/dbraw/zinc/99/07/79/374990779.db2.gz PDJMZVHEDZHHQR-KBPBESRZSA-N 0 3 294.351 1.638 20 5 CDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283005999 375108555 /nfs/dbraw/zinc/10/85/55/375108555.db2.gz FZXFQZMFHGSYLR-ZYHUDNBSSA-N 0 3 295.314 1.868 20 5 CDBDHN CCN(C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000166751968 375050426 /nfs/dbraw/zinc/05/04/26/375050426.db2.gz IUMYNKFECINJPM-UHFFFAOYSA-N 0 3 282.300 1.140 20 5 CDBDHN CN1CCN(CCCSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000131112518 375168015 /nfs/dbraw/zinc/16/80/15/375168015.db2.gz UKUYKPCWZZSMFI-UHFFFAOYSA-N 0 3 296.396 1.719 20 5 CDBDHN COCCN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000350617665 375219693 /nfs/dbraw/zinc/21/96/93/375219693.db2.gz GZVHJTZHUBPOFU-LBPRGKRZSA-N 0 3 297.330 1.544 20 5 CDBDHN Cc1c(CN2[C@H](CO)CC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000347306463 375496549 /nfs/dbraw/zinc/49/65/49/375496549.db2.gz IVZMTXMWONGOAI-STQMWFEESA-N 0 3 280.324 1.221 20 5 CDBDHN COC[C@@H](CNCc1cccc([N+](=O)[O-])c1)OC ZINC000227707992 375595362 /nfs/dbraw/zinc/59/53/62/375595362.db2.gz BDOHSZRMXDJSBV-GFCCVEGCSA-N 0 3 254.286 1.346 20 5 CDBDHN CCC[C@](C)(N)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353475252 375614930 /nfs/dbraw/zinc/61/49/30/375614930.db2.gz WTQGQALVNTXFQK-AWEZNQCLSA-N 0 3 295.339 1.737 20 5 CDBDHN C[C@H](CC(N)=O)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000344888935 375649816 /nfs/dbraw/zinc/64/98/16/375649816.db2.gz OJPOXGDEEISQGX-DFVUYQKZSA-N 0 3 263.297 1.462 20 5 CDBDHN CSC[C@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000217861686 375750446 /nfs/dbraw/zinc/75/04/46/375750446.db2.gz IHCXSTWYCXDEAM-GFCCVEGCSA-N 0 3 270.354 1.798 20 5 CDBDHN CN1CC[C@@](O)(CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000358323362 375960480 /nfs/dbraw/zinc/96/04/80/375960480.db2.gz ANNKBEBKOBFNMO-GFCCVEGCSA-N 0 3 269.276 1.212 20 5 CDBDHN CC(C)OCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173473916 378471314 /nfs/dbraw/zinc/47/13/14/378471314.db2.gz CQZRJZLIDQYFPF-GFCCVEGCSA-N 0 3 294.355 1.901 20 5 CDBDHN COc1cc(C[NH2+]CCC[C@@H](C)O)c([N+](=O)[O-])cc1[O-] ZINC000278574057 194050799 /nfs/dbraw/zinc/05/07/99/194050799.db2.gz FAMREFJHEWBXFO-SECBINFHSA-N 0 3 284.312 1.560 20 5 CDBDHN Cc1ccc(NC(=O)/C=C\CN(C)C)cc1[N+](=O)[O-] ZINC000491629630 253093572 /nfs/dbraw/zinc/09/35/72/253093572.db2.gz FCVNXVSVYOSFJW-PLNGDYQASA-N 0 3 263.297 1.960 20 5 CDBDHN CN(C)C/C=C\C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000492267203 253186955 /nfs/dbraw/zinc/18/69/55/253186955.db2.gz DGNRDAWUUIEMQC-DAXSKMNVSA-N 0 3 289.335 1.597 20 5 CDBDHN C[C@@H](NC(=O)N[C@@H](C)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000287455896 533191145 /nfs/dbraw/zinc/19/11/45/533191145.db2.gz XHDWYFJAVBEHCV-WDEREUQCSA-N 0 3 294.355 1.905 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000525804632 262366619 /nfs/dbraw/zinc/36/66/19/262366619.db2.gz HQDFCQOCYMQANI-VIFPVBQESA-N 0 3 283.353 1.728 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186789872 391083200 /nfs/dbraw/zinc/08/32/00/391083200.db2.gz NIWMIRYRCJOTOE-UHFFFAOYSA-N 0 3 291.351 1.690 20 5 CDBDHN C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000266783424 391336504 /nfs/dbraw/zinc/33/65/04/391336504.db2.gz NSAFGNBWBOSOPH-QMTHXVAHSA-N 0 3 290.323 1.713 20 5 CDBDHN COC[C@@H](O)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000231607524 391535390 /nfs/dbraw/zinc/53/53/90/391535390.db2.gz KFNCOZVVSJJHLN-NSHDSACASA-N 0 3 288.731 1.735 20 5 CDBDHN Cc1ccc(C(=O)NCC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000416289142 391983076 /nfs/dbraw/zinc/98/30/76/391983076.db2.gz INCHLXSRHPTWAH-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](O)CN1CCCCC1 ZINC000174684001 392015614 /nfs/dbraw/zinc/01/56/14/392015614.db2.gz BLHKMIMKHBODGV-CYBMUJFWSA-N 0 3 294.355 1.557 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)C2CCC2)cc1 ZINC000316585176 391955041 /nfs/dbraw/zinc/95/50/41/391955041.db2.gz NNKPUFGQDRUTTI-ZDUSSCGKSA-N 0 3 250.298 1.845 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1c([N+](=O)[O-])ncn1C ZINC000267667406 392206954 /nfs/dbraw/zinc/20/69/54/392206954.db2.gz OWCDHKGVBHKHGW-ZJUUUORDSA-N 0 3 267.333 1.105 20 5 CDBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCN1C ZINC000090794991 392521778 /nfs/dbraw/zinc/52/17/78/392521778.db2.gz WBVRYKBRKXHOMC-UWVGGRQHSA-N 0 3 250.302 1.884 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCN(C)CC1 ZINC000271609525 392594305 /nfs/dbraw/zinc/59/43/05/392594305.db2.gz VEWUFMOWPBOFTB-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C)C1 ZINC000449112805 393129680 /nfs/dbraw/zinc/12/96/80/393129680.db2.gz SUQXSYPDVHMRIV-CMPLNLGQSA-N 0 3 277.324 1.346 20 5 CDBDHN COc1ccc(CN[C@H](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000228112735 140190584 /nfs/dbraw/zinc/19/05/84/140190584.db2.gz PBLHYCYWQXXGSX-ZJUUUORDSA-N 0 3 268.313 1.852 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000346153701 153074034 /nfs/dbraw/zinc/07/40/34/153074034.db2.gz HYMVSNKHBCMOFL-MRVPVSSYSA-N 0 3 291.311 1.151 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000359828521 158391583 /nfs/dbraw/zinc/39/15/83/158391583.db2.gz DBAAUYATKDBBJC-CQSZACIVSA-N 0 3 296.323 1.057 20 5 CDBDHN CCOC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361892626 159010737 /nfs/dbraw/zinc/01/07/37/159010737.db2.gz LTWWMJCCBBOHLL-NWDGAFQWSA-N 0 3 282.340 1.951 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@](O)(C3CC3)C2)cc1 ZINC000373303252 160190628 /nfs/dbraw/zinc/19/06/28/160190628.db2.gz YKLNJIDNIYRZKG-OAHLLOKOSA-N 0 3 292.335 1.820 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCCCC1 ZINC000071515251 176193257 /nfs/dbraw/zinc/19/32/57/176193257.db2.gz DLHFUMOGRGUDFX-UHFFFAOYSA-N 0 3 251.286 1.242 20 5 CDBDHN CC[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518796127 262347393 /nfs/dbraw/zinc/34/73/93/262347393.db2.gz SQSORFZMLREGPP-CABZTGNLSA-N 0 3 250.298 1.943 20 5 CDBDHN CN(C)C1CN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000283745686 273792422 /nfs/dbraw/zinc/79/24/22/273792422.db2.gz JXHOJBIBBVCYBU-UHFFFAOYSA-N 0 3 255.705 1.998 20 5 CDBDHN COc1cc(N2CCNCC2)c(F)cc1[N+](=O)[O-] ZINC000114012463 274096559 /nfs/dbraw/zinc/09/65/59/274096559.db2.gz PBHYRBLCLAZKQY-UHFFFAOYSA-N 0 3 255.249 1.152 20 5 CDBDHN C[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086471227 274598834 /nfs/dbraw/zinc/59/88/34/274598834.db2.gz YDGUZZMXFCNKKA-YUMQZZPRSA-N 0 3 281.341 1.491 20 5 CDBDHN CCC[C@H]1CNCCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000420230990 276050610 /nfs/dbraw/zinc/05/06/10/276050610.db2.gz JIQKVNXYGISWMO-VIFPVBQESA-N 0 3 295.368 1.882 20 5 CDBDHN CCN1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301282025 276157916 /nfs/dbraw/zinc/15/79/16/276157916.db2.gz MWTOHLZLLUVLOH-LLVKDONJSA-N 0 3 281.360 1.923 20 5 CDBDHN COC[C@@H](O)CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193063405 277572026 /nfs/dbraw/zinc/57/20/26/277572026.db2.gz CLJSSZJSBHJOET-DZGCQCFKSA-N 0 3 294.351 1.959 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)c2ccccc2[N+](=O)[O-])CCCN1C ZINC000343418134 279124979 /nfs/dbraw/zinc/12/49/79/279124979.db2.gz BCNMMORPJRQPQP-ZYHUDNBSSA-N 0 3 277.324 1.807 20 5 CDBDHN CCOC[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551583 279279268 /nfs/dbraw/zinc/27/92/68/279279268.db2.gz WYYNHZBNVKUPAZ-GFCCVEGCSA-N 0 3 295.339 1.115 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOCCO ZINC000159137264 289326951 /nfs/dbraw/zinc/32/69/51/289326951.db2.gz VMJFNHDBXGVZPA-NSHDSACASA-N 0 3 268.313 1.563 20 5 CDBDHN CC/C=C\CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574311957 294981834 /nfs/dbraw/zinc/98/18/34/294981834.db2.gz FDKXWIGIZQZEIO-RYBZSIHZSA-N 0 3 280.324 1.890 20 5 CDBDHN COCCN(C)CCNCc1cccc([N+](=O)[O-])c1C ZINC000061378710 523608687 /nfs/dbraw/zinc/60/86/87/523608687.db2.gz CERKJGWXOPRRDF-UHFFFAOYSA-N 0 3 281.356 1.571 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000050708063 523840392 /nfs/dbraw/zinc/84/03/92/523840392.db2.gz LLIUQFYZSRQHPS-SNVBAGLBSA-N 0 3 292.339 1.249 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC1(CO)CCOCC1 ZINC000069248204 525460551 /nfs/dbraw/zinc/46/05/51/525460551.db2.gz LGCMKOCNYGSGGB-UHFFFAOYSA-N 0 3 296.323 1.235 20 5 CDBDHN CCN(CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173659757 528551837 /nfs/dbraw/zinc/55/18/37/528551837.db2.gz DEGLLVDGUSKPMJ-UHFFFAOYSA-N 0 3 284.312 1.296 20 5 CDBDHN CN(CCN1CCCC1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000728569458 574637804 /nfs/dbraw/zinc/63/78/04/574637804.db2.gz UNVNKGDANVDXOS-UHFFFAOYSA-N 0 3 289.339 1.775 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H]2CN(C)C[C@H]21 ZINC000893938738 618199739 /nfs/dbraw/zinc/19/97/39/618199739.db2.gz FPEMOMGAONYBII-GHMZBOCLSA-N 0 3 279.344 1.260 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccccc1OC(F)F ZINC000905229216 626684723 /nfs/dbraw/zinc/68/47/23/626684723.db2.gz LAGHWROTIWPTBL-UHFFFAOYSA-N 0 3 260.240 1.697 20 5 CDBDHN CCOc1cccc([C@@H]2C[C@H]2NCC[N+](=O)[O-])c1 ZINC000905244365 626701095 /nfs/dbraw/zinc/70/10/95/626701095.db2.gz QEOLLGCBJUCQBJ-QWHCGFSZSA-N 0 3 250.298 1.808 20 5 CDBDHN CC(C)[C@H]1CN(C)CCN1Cn1nccc1[N+](=O)[O-] ZINC000153656816 631770939 /nfs/dbraw/zinc/77/09/39/631770939.db2.gz JRJZXHJGYNZYJG-LLVKDONJSA-N 0 3 267.333 1.021 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001573504096 1170675528 /nfs/dbraw/zinc/67/55/28/1170675528.db2.gz MUDCUGHBKAWOJS-GFCCVEGCSA-N 0 3 277.324 1.857 20 5 CDBDHN Cc1ccc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])nn2)cc1 ZINC000813106947 754450292 /nfs/dbraw/zinc/45/02/92/754450292.db2.gz IMRFTQPESKYQAQ-JTQLQIEISA-N 0 3 290.279 1.398 20 5 CDBDHN CC1(C)CNCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000088139080 754656040 /nfs/dbraw/zinc/65/60/40/754656040.db2.gz CNHHBUZSIPJBJI-VMPITWQZSA-N 0 3 289.335 1.818 20 5 CDBDHN CC1(C)[C@H](NCc2cccnc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000886229391 754667593 /nfs/dbraw/zinc/66/75/93/754667593.db2.gz OYFFBSODDKHUPF-UTUOFQBUSA-N 0 3 277.324 1.893 20 5 CDBDHN CC(COC(=O)[C@H](C)Oc1ccccn1)[N+](=O)[O-] ZINC000835456162 755374859 /nfs/dbraw/zinc/37/48/59/755374859.db2.gz SBQSPCFJHOBKEW-BDAKNGLRSA-N 0 3 254.242 1.057 20 5 CDBDHN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000857084175 755845384 /nfs/dbraw/zinc/84/53/84/755845384.db2.gz KEFIWWNQVSHARW-BXKDBHETSA-N 0 3 292.339 1.448 20 5 CDBDHN CC1(C)OCC(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CO1 ZINC000819226841 755868841 /nfs/dbraw/zinc/86/88/41/755868841.db2.gz YQGVAPDAMUKCNR-ZDUSSCGKSA-N 0 3 296.323 1.369 20 5 CDBDHN CC[C@@H](CO)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000857329524 756220112 /nfs/dbraw/zinc/22/01/12/756220112.db2.gz LWPPUGLEQLJXAL-MNOVXSKESA-N 0 3 295.339 1.591 20 5 CDBDHN CC(C)[C@H](C(=O)OCC(C)[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000842801482 756703769 /nfs/dbraw/zinc/70/37/69/756703769.db2.gz IQVQJXTUTDVRDX-NXEZZACHSA-N 0 3 289.328 1.809 20 5 CDBDHN Cc1c(CNCCOCCF)cccc1[N+](=O)[O-] ZINC000702572498 757062972 /nfs/dbraw/zinc/06/29/72/757062972.db2.gz YGLZLOHNFJCEIL-UHFFFAOYSA-N 0 3 256.277 1.979 20 5 CDBDHN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930147301 757828258 /nfs/dbraw/zinc/82/82/58/757828258.db2.gz BWPGIHLTNWYEDD-KBPBESRZSA-N 0 3 277.368 1.858 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCCS(C)(=O)=O ZINC001173210021 912333699 /nfs/dbraw/zinc/33/36/99/912333699.db2.gz GQSAZTJHJYULSW-SNVBAGLBSA-N 0 3 286.353 1.160 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1(C(N)=O)CC1 ZINC001173211567 912334835 /nfs/dbraw/zinc/33/48/35/912334835.db2.gz SWFMZAUOPMRWFK-VIFPVBQESA-N 0 3 263.297 1.133 20 5 CDBDHN C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCN1C ZINC000695903003 900069796 /nfs/dbraw/zinc/06/97/96/900069796.db2.gz DWIQOAHNSXZADL-SMDDNHRTSA-N 0 3 278.356 1.641 20 5 CDBDHN CSCC[C@@H](N)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118199424 923901311 /nfs/dbraw/zinc/90/13/11/923901311.db2.gz LIRZRQFPAMKVGV-GFCCVEGCSA-N 0 3 295.364 1.517 20 5 CDBDHN Cc1cc(CN(C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001169027495 927632888 /nfs/dbraw/zinc/63/28/88/927632888.db2.gz QJACGIQJWIVYAD-NEPJUHHUSA-N 0 3 266.345 1.606 20 5 CDBDHN C[C@H](N)c1ccn(-c2c(Cl)nccc2[N+](=O)[O-])n1 ZINC001169230834 927838702 /nfs/dbraw/zinc/83/87/02/927838702.db2.gz WLHZHURGLGJHPW-LURJTMIESA-N 0 3 267.676 1.849 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccc([C@H](C)N)n1 ZINC001169232679 927847215 /nfs/dbraw/zinc/84/72/15/927847215.db2.gz IJXWIUOPCFRMGS-QMMMGPOBSA-N 0 3 290.279 1.587 20 5 CDBDHN CN1CCC[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]21 ZINC001157262981 929400164 /nfs/dbraw/zinc/40/01/64/929400164.db2.gz ZMBSUPKRURIZIV-BXKDBHETSA-N 0 3 280.303 1.659 20 5 CDBDHN NCc1ccnn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001155125286 937639193 /nfs/dbraw/zinc/63/91/93/937639193.db2.gz NINXZXAJFGGTKL-UHFFFAOYSA-N 0 3 289.082 1.336 20 5 CDBDHN CSc1cccc(C(=O)NOCCN(C)C)c1[N+](=O)[O-] ZINC001118703628 937656889 /nfs/dbraw/zinc/65/68/89/937656889.db2.gz SWLOFWUSTFRZSL-UHFFFAOYSA-N 0 3 299.352 1.540 20 5 CDBDHN Cc1nc(Cl)nc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001158346241 938611819 /nfs/dbraw/zinc/61/18/19/938611819.db2.gz ULBHOWOECZJVIJ-RXMQYKEDSA-N 0 3 282.691 1.552 20 5 CDBDHN O=[N+]([O-])c1ccc2ncnc(N3CCNC4(CC4)C3)c2c1 ZINC001158936353 938680111 /nfs/dbraw/zinc/68/01/11/938680111.db2.gz DFGUTAVCLKDWTE-UHFFFAOYSA-N 0 3 285.307 1.480 20 5 CDBDHN CCOc1cc([N+](=O)[O-])ccc1-n1cnc(CN)c1 ZINC001162301698 938975483 /nfs/dbraw/zinc/97/54/83/938975483.db2.gz APHNEWNRVHKIJA-UHFFFAOYSA-N 0 3 262.269 1.638 20 5 CDBDHN NCc1ccnn1-c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162585715 939094112 /nfs/dbraw/zinc/09/41/12/939094112.db2.gz KXRINHFPFFFBRK-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])c(-n2ncc3c2CCNC3)n1 ZINC001165218662 939526507 /nfs/dbraw/zinc/52/65/07/939526507.db2.gz ICIWQPPTXKKXDD-UHFFFAOYSA-N 0 3 273.296 1.438 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(OC2CCN(C)CC2)n1 ZINC001227066907 942126985 /nfs/dbraw/zinc/12/69/85/942126985.db2.gz QCMOAPGJOPRKFD-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001263197118 943783005 /nfs/dbraw/zinc/78/30/05/943783005.db2.gz NBQZHIOOACJIEN-GZMMTYOYSA-N 0 3 251.286 1.509 20 5 CDBDHN CN1C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001303986137 944290538 /nfs/dbraw/zinc/29/05/38/944290538.db2.gz OUOMTHABPYPJBG-LBPRGKRZSA-N 0 3 292.339 1.247 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](F)[C@@H](N)C1 ZINC001246524532 948225515 /nfs/dbraw/zinc/22/55/15/948225515.db2.gz GNCCSQKSOIASNI-WQAKAFBOSA-N 0 3 267.304 1.507 20 5 CDBDHN CC(C)(C)OC(=O)NC[C@H](NCC[N+](=O)[O-])C1CC1 ZINC001334767948 959341499 /nfs/dbraw/zinc/34/14/99/959341499.db2.gz QGTBQPQEBADWPT-JTQLQIEISA-N 0 3 273.333 1.156 20 5 CDBDHN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CCN1C1CCCC1 ZINC001336725152 960509174 /nfs/dbraw/zinc/50/91/74/960509174.db2.gz BORPHVDFMQSNNF-LLVKDONJSA-N 0 3 291.355 1.838 20 5 CDBDHN CCN(CCNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000601036115 342459220 /nfs/dbraw/zinc/45/92/20/342459220.db2.gz QREBDKYGJNBCCC-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN Cc1cccc(NCCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199824 343979694 /nfs/dbraw/zinc/97/96/94/343979694.db2.gz RNDNMDDHRFPSCD-NSHDSACASA-N 0 3 265.313 1.382 20 5 CDBDHN CN(CCN(C)C1CC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601457165 342564389 /nfs/dbraw/zinc/56/43/89/342564389.db2.gz LJVUHERBKQGCQG-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1NCC1(C)C ZINC000591668457 342641171 /nfs/dbraw/zinc/64/11/71/342641171.db2.gz BJMAIGKXTUVKFF-GFCCVEGCSA-N 0 3 277.324 1.551 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1NCC1(C)C ZINC000591672881 342641459 /nfs/dbraw/zinc/64/14/59/342641459.db2.gz QDTJTGKVQGJWFA-LBPRGKRZSA-N 0 3 293.323 1.218 20 5 CDBDHN Cc1cccc(C(=O)N2CCN[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000592246904 342681160 /nfs/dbraw/zinc/68/11/60/342681160.db2.gz PJOZPIOBPGDTSL-CYBMUJFWSA-N 0 3 291.351 1.973 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC3(CC3(F)F)CC2)n1 ZINC000593073409 342762588 /nfs/dbraw/zinc/76/25/88/342762588.db2.gz SHFCCKFJSXQSMT-UHFFFAOYSA-N 0 3 286.282 1.913 20 5 CDBDHN CC(C)(N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000070534212 361993177 /nfs/dbraw/zinc/99/31/77/361993177.db2.gz IGZSTUNGTCNVQE-UHFFFAOYSA-N 0 3 261.285 1.428 20 5 CDBDHN Cn1nnc2c1CC[C@@H](NCc1ccccc1[N+](=O)[O-])C2 ZINC000594515680 342913698 /nfs/dbraw/zinc/91/36/98/342913698.db2.gz PIWFYEKAHOAHAK-LLVKDONJSA-N 0 3 287.323 1.370 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CNC(=O)C1 ZINC000595286674 343023292 /nfs/dbraw/zinc/02/32/92/343023292.db2.gz GBFDUXZDVIJILM-SNVBAGLBSA-N 0 3 263.297 1.163 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595875583 343178389 /nfs/dbraw/zinc/17/83/89/343178389.db2.gz QYWYJWGUMGKSMG-WFASDCNBSA-N 0 3 294.351 1.924 20 5 CDBDHN COc1ccc(C(=O)NC(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000457218358 365733086 /nfs/dbraw/zinc/73/30/86/365733086.db2.gz ICXAVWRGCDOUDH-UHFFFAOYSA-N 0 3 295.339 1.673 20 5 CDBDHN COc1cc(N(C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000080684967 342359167 /nfs/dbraw/zinc/35/91/67/342359167.db2.gz DFVYLXBCLNCPDP-UHFFFAOYSA-N 0 3 253.302 1.601 20 5 CDBDHN C[NH+](C)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596103758 343228118 /nfs/dbraw/zinc/22/81/18/343228118.db2.gz FLYVIRDLCZAFQF-SECBINFHSA-N 0 3 266.301 1.226 20 5 CDBDHN C[N@@H+]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596119689 343232922 /nfs/dbraw/zinc/23/29/22/343232922.db2.gz MUZHBGZWLLMGOT-SECBINFHSA-N 0 3 266.301 1.449 20 5 CDBDHN C[N@H+]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596119689 343232923 /nfs/dbraw/zinc/23/29/23/343232923.db2.gz MUZHBGZWLLMGOT-SECBINFHSA-N 0 3 266.301 1.449 20 5 CDBDHN CS[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1N(C)C ZINC000270343259 190654075 /nfs/dbraw/zinc/65/40/75/190654075.db2.gz FNBZEDLECAUWFZ-VHSXEESVSA-N 0 3 299.400 1.119 20 5 CDBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000599571488 344089925 /nfs/dbraw/zinc/08/99/25/344089925.db2.gz IYKWPHQVHBRIFY-UHFFFAOYSA-N 0 3 280.324 1.942 20 5 CDBDHN COC[C@](C)(CO)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602586890 344478003 /nfs/dbraw/zinc/47/80/03/344478003.db2.gz DURJCJMAVTWHQX-ZDUSSCGKSA-N 0 3 268.313 1.124 20 5 CDBDHN CCO[C@H]1CCCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602778704 344594136 /nfs/dbraw/zinc/59/41/36/344594136.db2.gz KHLUZPRUZCNKTN-LBPRGKRZSA-N 0 3 282.344 1.601 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@@H](C)C1 ZINC000602817306 344607240 /nfs/dbraw/zinc/60/72/40/344607240.db2.gz AJOKTUICTXILLQ-JTQLQIEISA-N 0 3 284.385 1.785 20 5 CDBDHN Cc1ncc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)s1 ZINC000602957352 344672876 /nfs/dbraw/zinc/67/28/76/344672876.db2.gz SBEJBEONSKEGRZ-MRVPVSSYSA-N 0 3 281.341 1.907 20 5 CDBDHN CO[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602842135 344622028 /nfs/dbraw/zinc/62/20/28/344622028.db2.gz QHZZDMWNSIAYMV-PWSUYJOCSA-N 0 3 282.344 1.457 20 5 CDBDHN COC[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159821382 362534692 /nfs/dbraw/zinc/53/46/92/362534692.db2.gz RXJDIQXPSYTYFJ-LBPRGKRZSA-N 0 3 295.339 1.115 20 5 CDBDHN CN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344243940 362559106 /nfs/dbraw/zinc/55/91/06/362559106.db2.gz PQURMFCTEVYNJR-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CC1(C)CNCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000088139020 346014000 /nfs/dbraw/zinc/01/40/00/346014000.db2.gz FLULMKIKBPLSML-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000609876649 346030276 /nfs/dbraw/zinc/03/02/76/346030276.db2.gz DIHCTVIDRCZESP-JTQLQIEISA-N 0 3 280.328 1.527 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccc(F)c2)c1 ZINC000037884550 346369662 /nfs/dbraw/zinc/36/96/62/346369662.db2.gz WWUBLMRYQLTYRH-ZDUSSCGKSA-N 0 3 294.286 1.081 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCc2ccc(F)cc2)c1 ZINC000037880034 346369683 /nfs/dbraw/zinc/36/96/83/346369683.db2.gz TXKYTIJVZAKMAH-CYBMUJFWSA-N 0 3 294.286 1.081 20 5 CDBDHN Cn1cc(CCNCc2ccccc2[N+](=O)[O-])cn1 ZINC000112017384 365853507 /nfs/dbraw/zinc/85/35/07/365853507.db2.gz IDMSHJWULRAXAZ-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000086467983 179298618 /nfs/dbraw/zinc/29/86/18/179298618.db2.gz AWLSUBUXYWPUPR-SFYZADRCSA-N 0 3 269.326 1.479 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000086467995 179298790 /nfs/dbraw/zinc/29/87/90/179298790.db2.gz MNPMVEVKIVWJGL-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN CC(C)(O)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614110436 348004709 /nfs/dbraw/zinc/00/47/09/348004709.db2.gz PUIZSTMYPFWMGA-UHFFFAOYSA-N 0 3 296.323 1.617 20 5 CDBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000067866119 349040291 /nfs/dbraw/zinc/04/02/91/349040291.db2.gz ZWIKWTQINQDGLI-UHFFFAOYSA-N 0 3 253.258 1.012 20 5 CDBDHN C[C@H](NC(=O)C[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000091300472 180127489 /nfs/dbraw/zinc/12/74/89/180127489.db2.gz WBZWTMIDLNTYJI-GXFFZTMASA-N 0 3 293.323 1.151 20 5 CDBDHN COc1ccc(CNCCCn2cccn2)cc1[N+](=O)[O-] ZINC000106466508 186119885 /nfs/dbraw/zinc/11/98/85/186119885.db2.gz SLZOYZWJSOMBLV-UHFFFAOYSA-N 0 3 290.323 1.980 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000109849879 186278227 /nfs/dbraw/zinc/27/82/27/186278227.db2.gz IKRZLUYVIJZYGJ-VIFPVBQESA-N 0 3 297.742 1.930 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCCN(CCCO)C2)c1 ZINC000295172067 199385999 /nfs/dbraw/zinc/38/59/99/199385999.db2.gz UKGQFIRLZTZUJD-CQSZACIVSA-N 0 3 293.367 1.531 20 5 CDBDHN COCCN(CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000090517634 358479891 /nfs/dbraw/zinc/47/98/91/358479891.db2.gz XGBVIAOMJHXADG-UHFFFAOYSA-N 0 3 297.355 1.361 20 5 CDBDHN C[C@@H]1C[C@@H](O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000340911483 363461780 /nfs/dbraw/zinc/46/17/80/363461780.db2.gz FLPSPZJWNRCQNO-GHMZBOCLSA-N 0 3 266.297 1.429 20 5 CDBDHN Cc1cc(N[C@@H]2CNCCC2(F)F)ncc1[N+](=O)[O-] ZINC001579635900 1172230949 /nfs/dbraw/zinc/23/09/49/1172230949.db2.gz NLERMTLDBOIVPN-SECBINFHSA-N 0 3 272.255 1.707 20 5 CDBDHN CCOC1CC(N(C)CCn2ccc([N+](=O)[O-])n2)C1 ZINC000287110947 358097755 /nfs/dbraw/zinc/09/77/55/358097755.db2.gz YLGUUPSKEIODGB-UHFFFAOYSA-N 0 3 268.317 1.291 20 5 CDBDHN CN(C[C@H](O)COc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000290780798 358414264 /nfs/dbraw/zinc/41/42/64/358414264.db2.gz MWIRFZMGFUZSIA-JTQLQIEISA-N 0 3 284.287 1.568 20 5 CDBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048336227 359202362 /nfs/dbraw/zinc/20/23/62/359202362.db2.gz GSICIPYZXCDYKF-JTQLQIEISA-N 0 3 296.323 1.844 20 5 CDBDHN C[C@]1(C(N)=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000280122917 359414906 /nfs/dbraw/zinc/41/49/06/359414906.db2.gz BUNKLPXHCCUPHD-ZDUSSCGKSA-N 0 3 263.297 1.292 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000054131621 359424710 /nfs/dbraw/zinc/42/47/10/359424710.db2.gz BUGGJRUWNIJGHN-UHFFFAOYSA-N 0 3 269.276 1.415 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000408364159 359694416 /nfs/dbraw/zinc/69/44/16/359694416.db2.gz HTFFTRCNDBBWPO-WDEREUQCSA-N 0 3 279.344 1.249 20 5 CDBDHN CC(C)[C@@](C)(NCCOc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000297654983 200254726 /nfs/dbraw/zinc/25/47/26/200254726.db2.gz NNAIDZIYGDZKNB-CQSZACIVSA-N 0 3 295.339 1.463 20 5 CDBDHN CC(C)[C@@H](CO)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267341722 359924631 /nfs/dbraw/zinc/92/46/31/359924631.db2.gz JYJMUTPBVHCUAV-CYBMUJFWSA-N 0 3 296.323 1.568 20 5 CDBDHN COC(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000297997832 200315692 /nfs/dbraw/zinc/31/56/92/200315692.db2.gz AYUVWPVJSCECIV-UHFFFAOYSA-N 0 3 266.297 1.983 20 5 CDBDHN Nc1ccc(N2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000283402371 283664150 /nfs/dbraw/zinc/66/41/50/283664150.db2.gz AIRKVCLMBMGBKO-UHFFFAOYSA-N 0 3 276.340 1.709 20 5 CDBDHN COc1ccc(CNC2CCOCC2)cc1[N+](=O)[O-] ZINC000036319761 361640313 /nfs/dbraw/zinc/64/03/13/361640313.db2.gz MYEURRYELJGPCW-UHFFFAOYSA-N 0 3 266.297 1.872 20 5 CDBDHN CN(C)C/C=C/C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268292189 364025934 /nfs/dbraw/zinc/02/59/34/364025934.db2.gz YVKXDHRWXIQQSS-ONEGZZNKSA-N 0 3 297.742 1.982 20 5 CDBDHN CO[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000361384518 364430669 /nfs/dbraw/zinc/43/06/69/364430669.db2.gz KXHFGDIISMXPOE-CYBMUJFWSA-N 0 3 266.297 1.694 20 5 CDBDHN Cc1nn(C)cc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000148929916 364507293 /nfs/dbraw/zinc/50/72/93/364507293.db2.gz TVPONKNUDMQDGP-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN Cc1nc(NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000133619333 364909144 /nfs/dbraw/zinc/90/91/44/364909144.db2.gz DBHPMUZLSPWALR-SNVBAGLBSA-N 0 3 250.302 1.804 20 5 CDBDHN COc1ccc(CN[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000094943720 367737366 /nfs/dbraw/zinc/73/73/66/367737366.db2.gz RLVHEZPDPXIFLN-SNVBAGLBSA-N 0 3 268.313 1.854 20 5 CDBDHN CC(C)C[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668495 369784958 /nfs/dbraw/zinc/78/49/58/369784958.db2.gz RDUUJOZDXBCZSU-LBPRGKRZSA-N 0 3 265.313 1.584 20 5 CDBDHN CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000037669460 369786228 /nfs/dbraw/zinc/78/62/28/369786228.db2.gz MTUVFMHOWOCEKA-UHFFFAOYSA-N 0 3 295.314 1.900 20 5 CDBDHN COC(=O)c1cnc(NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000276608711 193398706 /nfs/dbraw/zinc/39/87/06/193398706.db2.gz SHHTYNKTQVXDNO-SNVBAGLBSA-N 0 3 294.311 1.283 20 5 CDBDHN Cc1c(CNC[C@H](O)CN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000314789688 371204166 /nfs/dbraw/zinc/20/41/66/371204166.db2.gz UOGUVUJBZCXHFG-AWEZNQCLSA-N 0 3 293.367 1.448 20 5 CDBDHN Cc1c(CC(=O)NC[C@@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000269616683 373145789 /nfs/dbraw/zinc/14/57/89/373145789.db2.gz LYNLJWWMTIDXRG-SNVBAGLBSA-N 0 3 279.340 1.512 20 5 CDBDHN CC[C@H](C)[C@@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810238 373399635 /nfs/dbraw/zinc/39/96/35/373399635.db2.gz LXRLTPBMAIVMPE-GXFFZTMASA-N 0 3 279.340 1.927 20 5 CDBDHN CN(CCNc1c(C(N)=O)cccc1[N+](=O)[O-])C1CC1 ZINC000420580019 374298408 /nfs/dbraw/zinc/29/84/08/374298408.db2.gz DGLBCZFKBGAWPN-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN N[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000422935086 374364316 /nfs/dbraw/zinc/36/43/16/374364316.db2.gz KNVMAKSFBQOUSU-CYBMUJFWSA-N 0 3 292.339 1.250 20 5 CDBDHN CCC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423856138 246150483 /nfs/dbraw/zinc/15/04/83/246150483.db2.gz XLKWWJJZPLQLEJ-LLVKDONJSA-N 0 3 285.731 1.992 20 5 CDBDHN C[C@H](NC[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527561 374389053 /nfs/dbraw/zinc/38/90/53/374389053.db2.gz RWXCVSLYULSYSW-GXFFZTMASA-N 0 3 265.313 1.234 20 5 CDBDHN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000351949835 374698274 /nfs/dbraw/zinc/69/82/74/374698274.db2.gz APIKWQQAZHENCO-ZYHUDNBSSA-N 0 3 266.297 1.286 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](CO)C1 ZINC000092763346 374702333 /nfs/dbraw/zinc/70/23/33/374702333.db2.gz NHGOUUOXSARHRP-OGOUPESXSA-N 0 3 262.309 1.922 20 5 CDBDHN COc1cc(C(=O)NC[C@H](C)N(C)C)cc([N+](=O)[O-])c1C ZINC000276657090 374738967 /nfs/dbraw/zinc/73/89/67/374738967.db2.gz ZQRWZLNRZLLQLB-VIFPVBQESA-N 0 3 295.339 1.592 20 5 CDBDHN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])cn2)CCCO1 ZINC000277393074 374785521 /nfs/dbraw/zinc/78/55/21/374785521.db2.gz GLTPHEREIXOSBO-GFCCVEGCSA-N 0 3 294.355 1.903 20 5 CDBDHN C[C@H](O)[C@@H]1C[C@H](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331289419 374921270 /nfs/dbraw/zinc/92/12/70/374921270.db2.gz NYHBPEZXYBPZKS-MDZLAQPJSA-N 0 3 282.344 1.273 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCC(C)CC1 ZINC000299374682 375166195 /nfs/dbraw/zinc/16/61/95/375166195.db2.gz SDMGHZMTQUAMIO-LLVKDONJSA-N 0 3 294.355 1.773 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCC(=O)NC1 ZINC000344846461 375596608 /nfs/dbraw/zinc/59/66/08/375596608.db2.gz IVUFQZQJUKRPAM-SVTZGKHISA-N 0 3 289.335 1.866 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCN1C ZINC000357415009 375906944 /nfs/dbraw/zinc/90/69/44/375906944.db2.gz NIBCPGSBRBLTKW-BDAKNGLRSA-N 0 3 266.301 1.135 20 5 CDBDHN C[C@H](CO)N(CCOc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000249005406 376117446 /nfs/dbraw/zinc/11/74/46/376117446.db2.gz ZJRBNPCTAYTSRZ-NEPJUHHUSA-N 0 3 298.339 1.037 20 5 CDBDHN C[C@H]1[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])CCCN1C ZINC000345308465 377906349 /nfs/dbraw/zinc/90/63/49/377906349.db2.gz XMDKPQXOXFKPSQ-GXSJLCMTSA-N 0 3 292.339 1.390 20 5 CDBDHN Cc1nc(NCCN2[C@@H](C)CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450326721 251225282 /nfs/dbraw/zinc/22/52/82/251225282.db2.gz ZGADVFQAFOCLIS-QWRGUYRKSA-N 0 3 293.371 1.790 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](N3CCCCC3)C2)nc1 ZINC000273650948 285176300 /nfs/dbraw/zinc/17/63/00/285176300.db2.gz UKVMSVJJRUOBPZ-LLVKDONJSA-N 0 3 277.328 1.449 20 5 CDBDHN CNC(=O)[C@]1(C)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000281243050 195164414 /nfs/dbraw/zinc/16/44/14/195164414.db2.gz UQGKSCUXHITTGX-CQSZACIVSA-N 0 3 277.324 1.553 20 5 CDBDHN CCO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000451550918 390632507 /nfs/dbraw/zinc/63/25/07/390632507.db2.gz XGABTLUODIIEIF-YPMHNXCESA-N 0 3 282.344 1.538 20 5 CDBDHN CCc1nn(C)c(N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000158477886 390799521 /nfs/dbraw/zinc/79/95/21/390799521.db2.gz IKZDDDVTHUIHPB-ZJUUUORDSA-N 0 3 281.360 1.785 20 5 CDBDHN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000337344550 390810437 /nfs/dbraw/zinc/81/04/37/390810437.db2.gz ZFAWZOAUZZTZPU-LLVKDONJSA-N 0 3 264.329 1.910 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN1CCNC[C@H]1C(F)F ZINC000518535145 391190900 /nfs/dbraw/zinc/19/09/00/391190900.db2.gz YUXKIRSTFLNYFH-LBPRGKRZSA-N 0 3 285.294 1.942 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC1(C)C ZINC000489488196 391223414 /nfs/dbraw/zinc/22/34/14/391223414.db2.gz UEFXFQUXSKMKHX-NSHDSACASA-N 0 3 265.313 1.487 20 5 CDBDHN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000415627808 391469701 /nfs/dbraw/zinc/46/97/01/391469701.db2.gz CVGBEDZFRKXNRR-UHFFFAOYSA-N 0 3 282.275 1.561 20 5 CDBDHN COC[C@@H](CCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268971395 391474273 /nfs/dbraw/zinc/47/42/73/391474273.db2.gz AOYNVQYNULMJNG-NWDGAFQWSA-N 0 3 282.340 1.951 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000192640044 391725244 /nfs/dbraw/zinc/72/52/44/391725244.db2.gz IUMFINHKPCDRFU-NEPJUHHUSA-N 0 3 293.371 1.793 20 5 CDBDHN Cc1cccc(C(=O)NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000416291655 391983435 /nfs/dbraw/zinc/98/34/35/391983435.db2.gz PFZXMPHJDDLPQY-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN CC(C)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1C ZINC000487998537 391942589 /nfs/dbraw/zinc/94/25/89/391942589.db2.gz IJKZYEPBWXXVGJ-LBPRGKRZSA-N 0 3 281.360 1.063 20 5 CDBDHN C[C@H]1NCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000262818637 131264378 /nfs/dbraw/zinc/26/43/78/131264378.db2.gz SDWKOGXBYDWYPB-GHMZBOCLSA-N 0 3 293.323 1.182 20 5 CDBDHN CC(=O)N[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420992843 392924071 /nfs/dbraw/zinc/92/40/71/392924071.db2.gz YPWHBDOWMNTYJS-CYBMUJFWSA-N 0 3 277.324 1.348 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](CO)[C@@H]1CCCO1 ZINC000449295374 393133709 /nfs/dbraw/zinc/13/37/09/393133709.db2.gz RTVLIAUODPFKCK-KYOSRNDESA-N 0 3 294.351 1.655 20 5 CDBDHN C[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000136157397 139891533 /nfs/dbraw/zinc/89/15/33/139891533.db2.gz MMBRNYJGNAJYPB-AWEZNQCLSA-N 0 3 277.324 1.743 20 5 CDBDHN CN(C)CCOCCNc1ccccc1[N+](=O)[O-] ZINC000226738164 140180571 /nfs/dbraw/zinc/18/05/71/140180571.db2.gz OEVOBYVXPQXTRD-UHFFFAOYSA-N 0 3 253.302 1.585 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262808268 149116273 /nfs/dbraw/zinc/11/62/73/149116273.db2.gz QKZDBCFFFXMGJB-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@@H]1CN(C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343774068 152298117 /nfs/dbraw/zinc/29/81/17/152298117.db2.gz AZYSCJGDPXEACI-GFCCVEGCSA-N 0 3 279.340 1.610 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](O)C(F)F ZINC000350092111 154326236 /nfs/dbraw/zinc/32/62/36/154326236.db2.gz FQDPKELWWZOATJ-SNVBAGLBSA-N 0 3 260.240 1.619 20 5 CDBDHN CC(C)NC(=O)[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676115 174373733 /nfs/dbraw/zinc/37/37/33/174373733.db2.gz MRSVCTZELGFVHJ-NSHDSACASA-N 0 3 279.340 1.640 20 5 CDBDHN COCCOCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000044694045 175234934 /nfs/dbraw/zinc/23/49/34/175234934.db2.gz MGPUTOQTIWPVOY-LLVKDONJSA-N 0 3 268.313 1.908 20 5 CDBDHN C[C@H](CO)N(CCOc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000248907459 280393352 /nfs/dbraw/zinc/39/33/52/280393352.db2.gz IGXFVMYHOGTDQG-NEPJUHHUSA-N 0 3 298.339 1.037 20 5 CDBDHN CN(C)[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255519452 289374894 /nfs/dbraw/zinc/37/48/94/289374894.db2.gz ZXEHUPDTAAHANE-MEJMFZKBSA-N 0 3 289.335 1.771 20 5 CDBDHN COC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000544416090 289636973 /nfs/dbraw/zinc/63/69/73/289636973.db2.gz WNSCBBALIQIDTH-GFCCVEGCSA-N 0 3 295.339 1.794 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[C@H](C)C1 ZINC000570664792 294284301 /nfs/dbraw/zinc/28/43/01/294284301.db2.gz OWAWUDJTIKZBJN-NSHDSACASA-N 0 3 291.351 1.975 20 5 CDBDHN CCOCC[C@H](O)CNCc1cc([N+](=O)[O-])ccc1OC ZINC000571277415 294401111 /nfs/dbraw/zinc/40/11/11/294401111.db2.gz VPKZVXWETPVRAI-ZDUSSCGKSA-N 0 3 298.339 1.481 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@]1(CO)CCOC1 ZINC000572060831 294550847 /nfs/dbraw/zinc/55/08/47/294550847.db2.gz RWRORFWYFXJGFF-OCCSQVGLSA-N 0 3 278.308 1.323 20 5 CDBDHN O=C(NC1CCN(C2CCC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000296771839 295621014 /nfs/dbraw/zinc/62/10/14/295621014.db2.gz AKRHNCQOACSABO-UHFFFAOYSA-N 0 3 293.323 1.935 20 5 CDBDHN C[C@@H]1NCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000379490855 323601688 /nfs/dbraw/zinc/60/16/88/323601688.db2.gz GQQSXECXAXXLLY-MUDVKMOPSA-N 0 3 289.335 1.817 20 5 CDBDHN Cc1cccc(C(=O)NCCOCCN(C)C)c1[N+](=O)[O-] ZINC000540845741 518190129 /nfs/dbraw/zinc/19/01/29/518190129.db2.gz IXDDPYXSDHZFKB-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C)C1 ZINC000729681898 574820408 /nfs/dbraw/zinc/82/04/08/574820408.db2.gz MNXAOQFWCWVTML-LBPRGKRZSA-N 0 3 279.340 1.787 20 5 CDBDHN COC[C@H](CCO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761528137 576580935 /nfs/dbraw/zinc/58/09/35/576580935.db2.gz ZVYFBSCRQAPGJG-JTQLQIEISA-N 0 3 288.731 1.735 20 5 CDBDHN Cc1c(CN[C@@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000763070420 576708197 /nfs/dbraw/zinc/70/81/97/576708197.db2.gz PPCOYGLVZLSQQM-LBPRGKRZSA-N 0 3 250.298 1.764 20 5 CDBDHN Cn1cc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000749682188 576957437 /nfs/dbraw/zinc/95/74/37/576957437.db2.gz FHJGXQVGCNQZOG-CYBMUJFWSA-N 0 3 276.296 1.152 20 5 CDBDHN CNc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813103668 617342795 /nfs/dbraw/zinc/34/27/95/617342795.db2.gz DPOISDOZWMWAFV-SSDOTTSWSA-N 0 3 283.240 1.459 20 5 CDBDHN CNc1c(C(=O)OCC(C)[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000813106241 617343346 /nfs/dbraw/zinc/34/33/46/617343346.db2.gz BFGWSGOAGHSQKI-ZETCQYMHSA-N 0 3 283.240 1.459 20 5 CDBDHN CC(COC(=O)c1c[nH]nc1-c1ccoc1)[N+](=O)[O-] ZINC000813115379 617349338 /nfs/dbraw/zinc/34/93/38/617349338.db2.gz QJLGVBGNDFXGRA-ZETCQYMHSA-N 0 3 265.225 1.492 20 5 CDBDHN CC(COC(=O)C[C@H]1NC(=O)c2ccccc21)[N+](=O)[O-] ZINC000893045139 618092596 /nfs/dbraw/zinc/09/25/96/618092596.db2.gz PFDMRVLZOIDKBQ-GZMMTYOYSA-N 0 3 278.264 1.070 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1N1CC[C@@H](N2CCCCC2)C1 ZINC000892409473 618163533 /nfs/dbraw/zinc/16/35/33/618163533.db2.gz FQANYJLHQMCCEW-LLVKDONJSA-N 0 3 279.344 1.393 20 5 CDBDHN CCN1CCCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000892426503 618186539 /nfs/dbraw/zinc/18/65/39/618186539.db2.gz UGGJNIIQUCDWAY-UHFFFAOYSA-N 0 3 280.328 1.530 20 5 CDBDHN O=[N+]([O-])CCNC[C@H]1CSCCN1Cc1ccccc1 ZINC000905234816 626716798 /nfs/dbraw/zinc/71/67/98/626716798.db2.gz WEIDFVPXMLZMFZ-AWEZNQCLSA-N 0 3 295.408 1.470 20 5 CDBDHN Cc1ccn2ncc(C(=O)OCC(C)[N+](=O)[O-])c2c1 ZINC000835455155 631646718 /nfs/dbraw/zinc/64/67/18/631646718.db2.gz NAJBHUSWHOUONC-SECBINFHSA-N 0 3 263.253 1.465 20 5 CDBDHN COc1ccc(C[C@H](C)NCC2(F)COC2)c([N+](=O)[O-])c1 ZINC001170311013 1162334148 /nfs/dbraw/zinc/33/41/48/1162334148.db2.gz YOUZHARUEVQWID-JTQLQIEISA-N 0 3 298.314 1.863 20 5 CDBDHN Cc1c(C)c([N+](=O)[O-])cnc1NC(=N)N1CCN(C)CC1 ZINC001157915867 1162541444 /nfs/dbraw/zinc/54/14/44/1162541444.db2.gz YIXCYQSFVVCYFU-UHFFFAOYSA-N 0 3 292.343 1.201 20 5 CDBDHN N[C@H](CC1CC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001580122545 1172353811 /nfs/dbraw/zinc/35/38/11/1172353811.db2.gz WCHJOSNZBYJZMJ-LLVKDONJSA-N 0 3 292.339 1.250 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1(CF)CC1 ZINC001133632777 1163821862 /nfs/dbraw/zinc/82/18/62/1163821862.db2.gz ZXBQWRWBVKCQKV-UHFFFAOYSA-N 0 3 295.314 1.550 20 5 CDBDHN Cc1ccn(C[C@H](C)C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000870378900 758871063 /nfs/dbraw/zinc/87/10/63/758871063.db2.gz ZZSAZHJWSAMVNB-WPRPVWTQSA-N 0 3 255.274 1.036 20 5 CDBDHN Cc1nc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc2o1 ZINC000813113356 758959446 /nfs/dbraw/zinc/95/94/46/758959446.db2.gz ZHHAVVULDAXGDH-SSDOTTSWSA-N 0 3 264.237 1.958 20 5 CDBDHN CN(CCO)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000884823886 769348933 /nfs/dbraw/zinc/34/89/33/769348933.db2.gz JKWZVYJDCNKNFA-UHFFFAOYSA-N 0 3 275.255 1.209 20 5 CDBDHN C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000856796746 769569850 /nfs/dbraw/zinc/56/98/50/769569850.db2.gz ZDIASTVDWADNEZ-ZLDLUXBVSA-N 0 3 294.351 1.579 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CCO)C1CC1 ZINC000797520088 769815381 /nfs/dbraw/zinc/81/53/81/769815381.db2.gz IMTJCRVUADGCNQ-CYBMUJFWSA-N 0 3 280.324 1.854 20 5 CDBDHN CC(COC(=O)c1ccn(-c2ccccc2F)n1)[N+](=O)[O-] ZINC000813111373 770851793 /nfs/dbraw/zinc/85/17/93/770851793.db2.gz SFLMSWCCTWAOEF-VIFPVBQESA-N 0 3 293.254 1.833 20 5 CDBDHN CC(COC(=O)c1ncc2n1CCCC2)[N+](=O)[O-] ZINC000870376194 771234728 /nfs/dbraw/zinc/23/47/28/771234728.db2.gz CVGDTDVZDZGRTF-MRVPVSSYSA-N 0 3 253.258 1.041 20 5 CDBDHN COC(=O)[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000877640598 771248782 /nfs/dbraw/zinc/24/87/82/771248782.db2.gz APICYKGEPVFKEZ-HAQNSBGRSA-N 0 3 278.308 1.944 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](N)CC1CC1)CC2 ZINC000884331472 771486770 /nfs/dbraw/zinc/48/67/70/771486770.db2.gz OMDIZSQWRFHWBN-LBPRGKRZSA-N 0 3 289.335 1.920 20 5 CDBDHN Cc1onc(-c2cccnc2)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106302 771831562 /nfs/dbraw/zinc/83/15/62/771831562.db2.gz AFXRLLZKIFPKMY-MRVPVSSYSA-N 0 3 291.263 1.867 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CCN1 ZINC000843467856 772071532 /nfs/dbraw/zinc/07/15/32/772071532.db2.gz JNABEFQGEOKPKV-CYBMUJFWSA-N 0 3 292.339 1.247 20 5 CDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000923300832 772885425 /nfs/dbraw/zinc/88/54/25/772885425.db2.gz BAIUELZVWAQYMX-VHSXEESVSA-N 0 3 278.312 1.232 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCN(C)C ZINC000820528709 773026461 /nfs/dbraw/zinc/02/64/61/773026461.db2.gz WLLLJFOKRCSCMD-UHFFFAOYSA-N 0 3 279.340 1.845 20 5 CDBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCO ZINC000872018787 773052395 /nfs/dbraw/zinc/05/23/95/773052395.db2.gz PKFJHPMAIWVHNJ-QMMMGPOBSA-N 0 3 256.327 1.960 20 5 CDBDHN CC(COC(=O)Cn1ccc2ccc(F)cc21)[N+](=O)[O-] ZINC000842801288 773336560 /nfs/dbraw/zinc/33/65/60/773336560.db2.gz FPAOPOBGAXWVKB-SECBINFHSA-N 0 3 280.255 1.989 20 5 CDBDHN CC(COC(=O)c1c[nH]nc1-c1ccccc1)[N+](=O)[O-] ZINC000813112683 773377889 /nfs/dbraw/zinc/37/78/89/773377889.db2.gz SVKUGDIOMJWMNW-VIFPVBQESA-N 0 3 275.264 1.899 20 5 CDBDHN CC(=O)NC[C@H](CC(=O)OCC(C)[N+](=O)[O-])CC(C)C ZINC000835454528 773540586 /nfs/dbraw/zinc/54/05/86/773540586.db2.gz KIVQASMOBYRKAY-PWSUYJOCSA-N 0 3 288.344 1.383 20 5 CDBDHN COc1ccc(C(=O)CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168955825 927577066 /nfs/dbraw/zinc/57/70/66/927577066.db2.gz CORJMOIMJZEZKI-DGCLKSJQSA-N 0 3 292.335 1.913 20 5 CDBDHN NC(=O)[C@@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168975868 927599162 /nfs/dbraw/zinc/59/91/62/927599162.db2.gz XRQLTUABVVNCGH-UHTWSYAYSA-N 0 3 277.324 1.248 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCc3cnccc3C2)C1 ZINC001169008683 927614978 /nfs/dbraw/zinc/61/49/78/927614978.db2.gz TVYNVJXTWSAHLL-FZMZJTMJSA-N 0 3 261.325 1.885 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(-n2ccc([C@H](C)N)n2)n1 ZINC001169227187 927825341 /nfs/dbraw/zinc/82/53/41/927825341.db2.gz AHNQJHKCKFKOQA-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc([C@@H](C)N)n2)c1 ZINC001169235667 927864566 /nfs/dbraw/zinc/86/45/66/927864566.db2.gz YZQKFEAZVHMOER-MRVPVSSYSA-N 0 3 290.279 1.587 20 5 CDBDHN O=[N+]([O-])c1ccnc(N[C@H]2CCCC[C@@]23CNCCO3)c1 ZINC001155824077 937677309 /nfs/dbraw/zinc/67/73/09/937677309.db2.gz IRMCAPLRPLFENQ-GXTWGEPZSA-N 0 3 292.339 1.703 20 5 CDBDHN CSCC[C@@H](N)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122106547 937905615 /nfs/dbraw/zinc/90/56/15/937905615.db2.gz PXUPUPUJTWHDER-BXKDBHETSA-N 0 3 297.380 1.852 20 5 CDBDHN CCOc1cc(-n2nc(CN)cc2C)ccc1[N+](=O)[O-] ZINC001163985864 939372492 /nfs/dbraw/zinc/37/24/92/939372492.db2.gz HMRZUJDJYMMGCN-UHFFFAOYSA-N 0 3 276.296 1.946 20 5 CDBDHN CN(C)C1(C)CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001165119657 939513217 /nfs/dbraw/zinc/51/32/17/939513217.db2.gz FFVUEIDLAFSVNC-UHFFFAOYSA-N 0 3 275.312 1.611 20 5 CDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N(C)CCN2CCCC2)n1 ZINC001165140299 939516454 /nfs/dbraw/zinc/51/64/54/939516454.db2.gz SCTNYBKKMREYBO-UHFFFAOYSA-N 0 3 299.762 1.879 20 5 CDBDHN Cc1nc(=N)n([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1CN ZINC001254590083 947542666 /nfs/dbraw/zinc/54/26/66/947542666.db2.gz USURCJITKHICTN-AWEZNQCLSA-N 0 3 299.334 1.378 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN(C3CC3)CC1)C2 ZINC001254601030 947550868 /nfs/dbraw/zinc/55/08/68/947550868.db2.gz XJYAFHODSLWBIQ-MRXNPFEDSA-N 0 3 287.363 1.842 20 5 CDBDHN CN1C[C@@H]2C[C@H]1CN2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602783 947552508 /nfs/dbraw/zinc/55/25/08/947552508.db2.gz ITJIBCHPCNAARM-KKUMJFAQSA-N 0 3 273.336 1.450 20 5 CDBDHN O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CCCN2)n1 ZINC001247495642 948648374 /nfs/dbraw/zinc/64/83/74/948648374.db2.gz BGJTVHPVUSGUTD-SSDOTTSWSA-N 0 3 279.231 1.603 20 5 CDBDHN COc1cc(CN[C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000601140123 342479778 /nfs/dbraw/zinc/47/97/78/342479778.db2.gz RLHFPXBIKFSFLN-JGZJWPJOSA-N 0 3 296.323 1.473 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)c1ncc([N+](=O)[O-])cc1F ZINC000591147233 342618528 /nfs/dbraw/zinc/61/85/28/342618528.db2.gz YMGLWJCJJOWABL-SNVBAGLBSA-N 0 3 282.319 1.907 20 5 CDBDHN Cc1ccc(CNCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000118907134 342127908 /nfs/dbraw/zinc/12/79/08/342127908.db2.gz NNBCIVAILKYWHB-UHFFFAOYSA-N 0 3 250.298 1.765 20 5 CDBDHN COCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047742824 342118725 /nfs/dbraw/zinc/11/87/25/342118725.db2.gz HPGVYWYCBODMKF-UHFFFAOYSA-N 0 3 279.340 1.753 20 5 CDBDHN COc1ccc(CNC(=O)[C@@H]2NCC2(C)C)cc1[N+](=O)[O-] ZINC000591669240 342641244 /nfs/dbraw/zinc/64/12/44/342641244.db2.gz KOOCSQSTTSXVHT-LBPRGKRZSA-N 0 3 293.323 1.218 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN1 ZINC000592246354 342680993 /nfs/dbraw/zinc/68/09/93/342680993.db2.gz JZFSIPJODLKCCR-CYBMUJFWSA-N 0 3 277.324 1.665 20 5 CDBDHN C[C@H](CO)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000593083370 342763462 /nfs/dbraw/zinc/76/34/62/342763462.db2.gz LPEVEUCPERCRLY-LLVKDONJSA-N 0 3 282.344 1.132 20 5 CDBDHN C[C@@H](CCO)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593108803 342769361 /nfs/dbraw/zinc/76/93/61/342769361.db2.gz CMQOSDPQERMYDK-WCQYABFASA-N 0 3 298.339 1.037 20 5 CDBDHN C[C@@]1(CNC/C=C\c2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000453594129 252328516 /nfs/dbraw/zinc/32/85/16/252328516.db2.gz WOYLXDPTJIEPKU-VOKGJARPSA-N 0 3 289.335 1.866 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN(C)C ZINC000595047532 342999302 /nfs/dbraw/zinc/99/93/02/342999302.db2.gz GLUSYRGRPYUMJP-SNVBAGLBSA-N 0 3 267.329 1.816 20 5 CDBDHN Cc1cc(C(=O)NC(C)(C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000457203900 365710021 /nfs/dbraw/zinc/71/00/21/365710021.db2.gz JERORJHARYVUKD-UHFFFAOYSA-N 0 3 279.340 1.973 20 5 CDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595876231 343178139 /nfs/dbraw/zinc/17/81/39/343178139.db2.gz RCFAWCDEWVPLTR-SWLSCSKDSA-N 0 3 294.351 1.924 20 5 CDBDHN CN(CCC[NH+](C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596184408 343250918 /nfs/dbraw/zinc/25/09/18/343250918.db2.gz IMUCLISBSYDTLQ-UHFFFAOYSA-N 0 3 254.290 1.083 20 5 CDBDHN CN(C)C[C@H](CO)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596244033 343285968 /nfs/dbraw/zinc/28/59/68/343285968.db2.gz OCUVERWQNDYMRT-LLVKDONJSA-N 0 3 290.323 1.477 20 5 CDBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(N)=O)C1 ZINC000588977174 342446607 /nfs/dbraw/zinc/44/66/07/342446607.db2.gz GXKKUZKKAFQAKT-QWRGUYRKSA-N 0 3 277.324 1.853 20 5 CDBDHN CSCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609440119 342445726 /nfs/dbraw/zinc/44/57/26/342445726.db2.gz HVEXVSGAPUEOGX-UHFFFAOYSA-N 0 3 284.337 1.819 20 5 CDBDHN C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598645360 343855788 /nfs/dbraw/zinc/85/57/88/343855788.db2.gz HVSCVSQZSSQVSA-OLZOCXBDSA-N 0 3 294.351 1.924 20 5 CDBDHN CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602431663 344423884 /nfs/dbraw/zinc/42/38/84/344423884.db2.gz IZMGVMQQLQPQNY-FZMZJTMJSA-N 0 3 293.323 1.609 20 5 CDBDHN CCN[C@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602442273 344418545 /nfs/dbraw/zinc/41/85/45/344418545.db2.gz KEBSHBPPWJOOBA-NXEZZACHSA-N 0 3 265.313 1.770 20 5 CDBDHN CCN[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000602499183 344442204 /nfs/dbraw/zinc/44/22/04/344442204.db2.gz OCKONXGVNGEXLE-JTQLQIEISA-N 0 3 265.313 1.517 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)[C@H](C)[C@H]1C ZINC000602795303 344586725 /nfs/dbraw/zinc/58/67/25/344586725.db2.gz AIBMAMAPOXRDCQ-GHMZBOCLSA-N 0 3 281.360 1.124 20 5 CDBDHN CC[C@H]1CN(C)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602832532 344614549 /nfs/dbraw/zinc/61/45/49/344614549.db2.gz OZJPJAKQAVRAFZ-LBPRGKRZSA-N 0 3 281.360 1.126 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000602817864 344608400 /nfs/dbraw/zinc/60/84/00/344608400.db2.gz VCFDMRMOPHZPFA-DMDPSCGWSA-N 0 3 296.371 1.581 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@H](O)CC1 ZINC000293158445 362533878 /nfs/dbraw/zinc/53/38/78/362533878.db2.gz OOFHBFWOQPOWQH-LBPRGKRZSA-N 0 3 250.298 1.942 20 5 CDBDHN CCN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000293477462 362562071 /nfs/dbraw/zinc/56/20/71/362562071.db2.gz RONHFJNYCBTNMQ-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)[C@H]1CCOC1 ZINC000539071483 282446256 /nfs/dbraw/zinc/44/62/56/282446256.db2.gz QDHPHBHFKBWRBN-SLEUVZQESA-N 0 3 294.351 1.951 20 5 CDBDHN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000025149478 348620202 /nfs/dbraw/zinc/62/02/02/348620202.db2.gz RYAYDFMMRHBHLB-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN CCOCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665071 349128310 /nfs/dbraw/zinc/12/83/10/349128310.db2.gz GJSUZBBORGFCIN-GFCCVEGCSA-N 0 3 294.355 1.903 20 5 CDBDHN C[C@@H]1C[C@@H](C)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550309 180003133 /nfs/dbraw/zinc/00/31/33/180003133.db2.gz KSMOQEAWNFKKAS-NWDGAFQWSA-N 0 3 279.340 1.877 20 5 CDBDHN COC[C@@H](O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090953143 180073150 /nfs/dbraw/zinc/07/31/50/180073150.db2.gz WWIHGFBXRVRQKH-MFKMUULPSA-N 0 3 268.313 1.643 20 5 CDBDHN COC[C@H](CCO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515669952 362957332 /nfs/dbraw/zinc/95/73/32/362957332.db2.gz FSSJOAGDGMBUHS-GXFFZTMASA-N 0 3 280.324 1.569 20 5 CDBDHN C[C@@H](N[C@@H]1CCCNC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000111828119 350500813 /nfs/dbraw/zinc/50/08/13/350500813.db2.gz DMGCGCIGEYCJHI-ZYHUDNBSSA-N 0 3 277.324 1.914 20 5 CDBDHN CCCc1n[nH]c(C(=O)N2CC[C@@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000109626584 186268695 /nfs/dbraw/zinc/26/86/95/186268695.db2.gz BQFPKHBYJUJPEG-SECBINFHSA-N 0 3 295.343 1.047 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1C[C@@H](C)O ZINC000312781127 350792358 /nfs/dbraw/zinc/79/23/58/350792358.db2.gz FWBNOEITDNEYHG-ZYHUDNBSSA-N 0 3 282.344 1.335 20 5 CDBDHN C[C@H](NC(=O)NC[C@H](C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000454353615 252343982 /nfs/dbraw/zinc/34/39/82/252343982.db2.gz CFCMSAIXVXHZGT-QWRGUYRKSA-N 0 3 294.355 1.905 20 5 CDBDHN COc1ccc(NC(=O)[C@H](N)C(C)C)cc1[N+](=O)[O-] ZINC000136484477 363122804 /nfs/dbraw/zinc/12/28/04/363122804.db2.gz YRKUSQDVPNFCGU-LLVKDONJSA-N 0 3 267.285 1.525 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@]1(O)CCOC1 ZINC000516583622 363154373 /nfs/dbraw/zinc/15/43/73/363154373.db2.gz DOPVDZHQCJTDGP-OCCSQVGLSA-N 0 3 278.308 1.323 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN[C@H](CCO)c2ccccc2)c1 ZINC000271717094 191289278 /nfs/dbraw/zinc/28/92/78/191289278.db2.gz WAVSLPZXNKJQCM-CQSZACIVSA-N 0 3 290.323 1.505 20 5 CDBDHN CCC[C@@H](N)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000036872995 363283944 /nfs/dbraw/zinc/28/39/44/363283944.db2.gz QWXTUIDKZJVOPP-SNVBAGLBSA-N 0 3 251.286 1.969 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000411984273 363396514 /nfs/dbraw/zinc/39/65/14/363396514.db2.gz CKWYEWKZVAPKOJ-JSGCOSHPSA-N 0 3 280.324 1.472 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)CN(C)C1CC1 ZINC000290784424 358494488 /nfs/dbraw/zinc/49/44/88/358494488.db2.gz NJNBTFCEJBHHDI-CYBMUJFWSA-N 0 3 280.324 1.737 20 5 CDBDHN CN1CC[C@@H]2OCCN(Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000332351123 283089024 /nfs/dbraw/zinc/08/90/24/283089024.db2.gz ZKABTWMZWZDMIN-GJZGRUSLSA-N 0 3 291.351 1.500 20 5 CDBDHN N[C@@H](CC(F)F)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000336808356 356271761 /nfs/dbraw/zinc/27/17/61/356271761.db2.gz BQXBTMKDZHEPFO-QMMMGPOBSA-N 0 3 273.239 1.194 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCC1CC(O)C1 ZINC000432344925 357251290 /nfs/dbraw/zinc/25/12/90/357251290.db2.gz CRODOWHUWXAMQD-UHFFFAOYSA-N 0 3 250.298 1.845 20 5 CDBDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000408052940 357795214 /nfs/dbraw/zinc/79/52/14/357795214.db2.gz WKZNRLXJZHZZSS-ZWNOBZJWSA-N 0 3 292.339 1.479 20 5 CDBDHN CN(C)C[C@H](O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476198 357821408 /nfs/dbraw/zinc/82/14/08/357821408.db2.gz UMPXVMYAOGAFKA-MFKMUULPSA-N 0 3 279.340 1.094 20 5 CDBDHN C[C@H](C[S@](C)=O)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294450987 199044564 /nfs/dbraw/zinc/04/45/64/199044564.db2.gz VQKGRJWQECOOFR-LQJGKPAFSA-N 0 3 285.369 1.595 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000287254561 358353887 /nfs/dbraw/zinc/35/38/87/358353887.db2.gz RFHKKBANJNFYEE-NSHDSACASA-N 0 3 295.339 1.430 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000287256690 358354027 /nfs/dbraw/zinc/35/40/27/358354027.db2.gz RJUQGFQMKYDUIB-JTQLQIEISA-N 0 3 265.313 1.204 20 5 CDBDHN C[C@H](CN(C)C)NCc1ccc([N+](=O)[O-])cc1F ZINC000342217282 358967029 /nfs/dbraw/zinc/96/70/29/358967029.db2.gz QPDHZHLYMRWIEF-SECBINFHSA-N 0 3 255.293 1.774 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](O)C2)c1 ZINC000104194747 358951437 /nfs/dbraw/zinc/95/14/37/358951437.db2.gz IAFAFZLAAJNCQA-NSHDSACASA-N 0 3 252.270 1.040 20 5 CDBDHN CN1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000297813529 200285539 /nfs/dbraw/zinc/28/55/39/200285539.db2.gz IQENRKZDPMGGGK-UHFFFAOYSA-N 0 3 263.341 1.775 20 5 CDBDHN O=C1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C2(CCC2)N1 ZINC000282578126 239119207 /nfs/dbraw/zinc/11/92/07/239119207.db2.gz BBQYEVZBFROGKX-CYBMUJFWSA-N 0 3 289.335 1.886 20 5 CDBDHN CN1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000267931305 363869230 /nfs/dbraw/zinc/86/92/30/363869230.db2.gz OCFZTQNNOHZQPZ-UHFFFAOYSA-N 0 3 291.351 1.692 20 5 CDBDHN CN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053749193 370743533 /nfs/dbraw/zinc/74/35/33/370743533.db2.gz BSODGUKYLCKXEP-JTQLQIEISA-N 0 3 264.285 1.420 20 5 CDBDHN Cc1cc(C(=O)NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000271990024 365035737 /nfs/dbraw/zinc/03/57/37/365035737.db2.gz PWKJHKQOJWEUPF-UHFFFAOYSA-N 0 3 289.335 1.895 20 5 CDBDHN Cc1nc(N2CC[C@@H]3CCN(C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000272258573 365157741 /nfs/dbraw/zinc/15/77/41/365157741.db2.gz ZPZYGOKGKHWGQD-AAEUAGOBSA-N 0 3 276.340 1.829 20 5 CDBDHN CN(C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000417131062 242331077 /nfs/dbraw/zinc/33/10/77/242331077.db2.gz CJWSNPHSJZUBAV-UHFFFAOYSA-N 0 3 278.312 1.811 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C2CC2)c1 ZINC000266123420 370300459 /nfs/dbraw/zinc/30/04/59/370300459.db2.gz WWOARMZAQBJMSQ-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN Cc1cc(CNCCc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000089183047 370394974 /nfs/dbraw/zinc/39/49/74/370394974.db2.gz UNSUOVDEDJNOBL-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN O=C(NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])s1 ZINC000368384863 373836368 /nfs/dbraw/zinc/83/63/68/373836368.db2.gz KTVRNTZJZFYVSD-BQBZGAKWSA-N 0 3 273.289 1.086 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCO[C@H]2C2CC2)c1 ZINC000368463262 373841102 /nfs/dbraw/zinc/84/11/02/373841102.db2.gz UASVEFYOVLMEKW-ZNMIVQPWSA-N 0 3 292.335 1.785 20 5 CDBDHN Cc1ccc(C(=O)N(C)CCN(C)C)cc1[N+](=O)[O-] ZINC000080394195 374464914 /nfs/dbraw/zinc/46/49/14/374464914.db2.gz FCSCIVTZQAOEMQ-UHFFFAOYSA-N 0 3 265.313 1.537 20 5 CDBDHN Nc1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000376184915 374542542 /nfs/dbraw/zinc/54/25/42/374542542.db2.gz CSMXNPHGDDHVBG-NWDGAFQWSA-N 0 3 292.339 1.452 20 5 CDBDHN CCNC(=O)C1(CNCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000277461035 374788556 /nfs/dbraw/zinc/78/85/56/374788556.db2.gz QNVLOMPLWRIKMI-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN CN(C)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC1 ZINC000332030072 374998095 /nfs/dbraw/zinc/99/80/95/374998095.db2.gz UZUSSGANNKGASW-UHFFFAOYSA-N 0 3 266.301 1.137 20 5 CDBDHN CC1=C(C)CN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000280516321 375001247 /nfs/dbraw/zinc/00/12/47/375001247.db2.gz DLQFUISMPVYEQT-UHFFFAOYSA-N 0 3 250.302 1.833 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC2(O)CCCC2)cc1 ZINC000096479274 375105460 /nfs/dbraw/zinc/10/54/60/375105460.db2.gz KSWVBSMQPRPPRG-UHFFFAOYSA-N 0 3 250.298 1.990 20 5 CDBDHN COCCN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049236898 375420286 /nfs/dbraw/zinc/42/02/86/375420286.db2.gz GVAPSZXSHOVKHG-UHFFFAOYSA-N 0 3 281.312 1.502 20 5 CDBDHN CC(COC(=O)CCNC(=O)/C=C\c1ccco1)[N+](=O)[O-] ZINC000493294464 375437381 /nfs/dbraw/zinc/43/73/81/375437381.db2.gz NCMXHYIEYFTDLM-UMCURTJPSA-N 0 3 296.279 1.008 20 5 CDBDHN CCCN(CCN(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000344860779 375622126 /nfs/dbraw/zinc/62/21/26/375622126.db2.gz DTVKAVGIHSSUHG-UHFFFAOYSA-N 0 3 293.367 1.938 20 5 CDBDHN CNC(=O)CCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344896641 375647899 /nfs/dbraw/zinc/64/78/99/375647899.db2.gz ZDWFNCPCAFUTKK-FLIBITNWSA-N 0 3 277.324 1.724 20 5 CDBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCNCC1 ZINC000428441121 284625642 /nfs/dbraw/zinc/62/56/42/284625642.db2.gz GUEVZANLOIQJGT-UHFFFAOYSA-N 0 3 289.291 1.777 20 5 CDBDHN C[C@@H](NCCN1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000173415426 378355196 /nfs/dbraw/zinc/35/51/96/378355196.db2.gz MYSMLNJEUXMIBR-SNVBAGLBSA-N 0 3 291.307 1.394 20 5 CDBDHN O=[N+]([O-])c1ccccc1NC[C@H]1CCCN1CCCO ZINC000450600923 251362152 /nfs/dbraw/zinc/36/21/52/251362152.db2.gz XDPHADFNFMZHDU-GFCCVEGCSA-N 0 3 279.340 1.854 20 5 CDBDHN CN(C)CC1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC000281589617 195298539 /nfs/dbraw/zinc/29/85/39/195298539.db2.gz CEIBXEJHQBMGJV-UHFFFAOYSA-N 0 3 266.301 1.137 20 5 CDBDHN NC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000177942260 390554596 /nfs/dbraw/zinc/55/45/96/390554596.db2.gz RRDHQSCGIKVPSE-UHFFFAOYSA-N 0 3 292.339 1.394 20 5 CDBDHN CC(C)CN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344601638 391328050 /nfs/dbraw/zinc/32/80/50/391328050.db2.gz FVYMRBFPUNGGMF-UHFFFAOYSA-N 0 3 282.344 1.583 20 5 CDBDHN C[C@H]1[C@H](CO)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000488790027 392727907 /nfs/dbraw/zinc/72/79/07/392727907.db2.gz WCJIFOSCRSGLIR-RYUDHWBXSA-N 0 3 280.324 1.676 20 5 CDBDHN NC(=O)CC1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000421349836 392930645 /nfs/dbraw/zinc/93/06/45/392930645.db2.gz JTADGFLMGBSZOF-UHFFFAOYSA-N 0 3 263.297 1.340 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000422036132 392950464 /nfs/dbraw/zinc/95/04/64/392950464.db2.gz MSHCJFYASVEJMO-JTQLQIEISA-N 0 3 292.339 1.343 20 5 CDBDHN COc1ccc(CNC(=O)[C@H](N)C2CCC2)cc1[N+](=O)[O-] ZINC000423064155 392958475 /nfs/dbraw/zinc/95/84/75/392958475.db2.gz QQTSPWXVRFUQNS-CYBMUJFWSA-N 0 3 293.323 1.347 20 5 CDBDHN C[C@H](NC1CC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449158389 393132240 /nfs/dbraw/zinc/13/22/40/393132240.db2.gz YOYRDFLFWJQENM-JTQLQIEISA-N 0 3 289.335 1.620 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCCF ZINC000449305453 393133198 /nfs/dbraw/zinc/13/31/98/393133198.db2.gz GNBKEWZDFLITAO-QWRGUYRKSA-N 0 3 297.330 1.590 20 5 CDBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000195527246 140159984 /nfs/dbraw/zinc/15/99/84/140159984.db2.gz QFFBHRPUMPBVRH-UHFFFAOYSA-N 0 3 265.313 1.924 20 5 CDBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000361067511 397910702 /nfs/dbraw/zinc/91/07/02/397910702.db2.gz NSZXJZPRYKVGLL-PWSUYJOCSA-N 0 3 262.313 1.520 20 5 CDBDHN CCC[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000286787374 397983350 /nfs/dbraw/zinc/98/33/50/397983350.db2.gz PJDBJXBHUXPHMP-VIFPVBQESA-N 0 3 277.284 1.537 20 5 CDBDHN COCC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000336842126 151731182 /nfs/dbraw/zinc/73/11/82/151731182.db2.gz TXOPXNOOZRLNCA-CYBMUJFWSA-N 0 3 286.303 1.611 20 5 CDBDHN Cc1c([C@H](C)N[C@H](C)CC(N)=O)cccc1[N+](=O)[O-] ZINC000343096195 152029209 /nfs/dbraw/zinc/02/92/09/152029209.db2.gz MDINSJGVDDXVMD-SCZZXKLOSA-N 0 3 265.313 1.818 20 5 CDBDHN CN1CC=C(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000343246222 152081792 /nfs/dbraw/zinc/08/17/92/152081792.db2.gz DMJZZRUKUWRNGW-UHFFFAOYSA-N 0 3 293.298 1.726 20 5 CDBDHN CCc1nn(C)c(N[C@@H]2CCCN(C)[C@H]2C)c1[N+](=O)[O-] ZINC000343604881 152240925 /nfs/dbraw/zinc/24/09/25/152240925.db2.gz NYINBAOQLJUXJO-GXSJLCMTSA-N 0 3 281.360 1.785 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346147418 153070826 /nfs/dbraw/zinc/07/08/26/153070826.db2.gz WLSDORJPJOMFKC-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])n3C)C2)C1 ZINC000346313531 153136345 /nfs/dbraw/zinc/13/63/45/153136345.db2.gz GIFMOQYMXRRURX-CQSZACIVSA-N 0 3 292.339 1.101 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCc3c[nH]nc3C2)c1 ZINC000374543210 160294872 /nfs/dbraw/zinc/29/48/72/160294872.db2.gz ZVESQRSCZIKSNW-GFCCVEGCSA-N 0 3 272.308 1.965 20 5 CDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000021040417 171293363 /nfs/dbraw/zinc/29/33/63/171293363.db2.gz UGVGAKYQPSMNNQ-UHFFFAOYSA-N 0 3 264.285 1.422 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CCC(C)CC1 ZINC000285123199 196200818 /nfs/dbraw/zinc/20/08/18/196200818.db2.gz MVDMWYQRQLJSJC-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268104 196237553 /nfs/dbraw/zinc/23/75/53/196237553.db2.gz QRNMHKJTWCKDHR-AQUOVQTQSA-N 0 3 279.340 1.987 20 5 CDBDHN CO[C@@H](C)CN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285550158 196323039 /nfs/dbraw/zinc/32/30/39/196323039.db2.gz GJKMUONQOMTPNW-AAEUAGOBSA-N 0 3 298.339 1.301 20 5 CDBDHN CCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000040454467 174267241 /nfs/dbraw/zinc/26/72/41/174267241.db2.gz OHAIEPXEAVSOBX-SECBINFHSA-N 0 3 251.290 1.281 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCN(C2CC2)C1 ZINC000044685251 175231022 /nfs/dbraw/zinc/23/10/22/175231022.db2.gz FVAWSVFBTVLLOU-LBPRGKRZSA-N 0 3 261.325 1.921 20 5 CDBDHN CNc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000517932939 260320466 /nfs/dbraw/zinc/32/04/66/260320466.db2.gz XWAWUUZDLSYBHB-VHSXEESVSA-N 0 3 292.339 1.459 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCC2(N(C)C)CC2)n1 ZINC000397911563 270352524 /nfs/dbraw/zinc/35/25/24/270352524.db2.gz BGOJSMBQOHSQNU-UHFFFAOYSA-N 0 3 250.302 1.804 20 5 CDBDHN CCN1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420604823 276165050 /nfs/dbraw/zinc/16/50/50/276165050.db2.gz SOHOGGOXTKGELN-UHFFFAOYSA-N 0 3 292.339 1.226 20 5 CDBDHN CN1CC[C@]2(CCN(c3ncccc3[N+](=O)[O-])C2)C1 ZINC000292192388 277186462 /nfs/dbraw/zinc/18/64/62/277186462.db2.gz GENSOUIFJJTGEH-ZDUSSCGKSA-N 0 3 262.313 1.522 20 5 CDBDHN CS[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000286622614 277530240 /nfs/dbraw/zinc/53/02/40/277530240.db2.gz VZCGWOINHDMVON-STQMWFEESA-N 0 3 296.396 1.659 20 5 CDBDHN CC1(C)CN(CCNCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000171767068 278332878 /nfs/dbraw/zinc/33/28/78/278332878.db2.gz ZUZICTUXLLWGCA-UHFFFAOYSA-N 0 3 293.367 1.795 20 5 CDBDHN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)O ZINC000395296326 280689453 /nfs/dbraw/zinc/68/94/53/280689453.db2.gz HTIYGBFQKZCTOO-MWLCHTKSSA-N 0 3 268.313 1.852 20 5 CDBDHN COC[C@@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531966426 281875654 /nfs/dbraw/zinc/87/56/54/281875654.db2.gz BNXGAROQVUJXHM-RISCZKNCSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@H](CN(C)C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000343782648 289521097 /nfs/dbraw/zinc/52/10/97/289521097.db2.gz CAXNAEDVZJKSRK-SECBINFHSA-N 0 3 264.329 1.925 20 5 CDBDHN C[C@@H](CC(N)=O)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565491006 293623135 /nfs/dbraw/zinc/62/31/35/293623135.db2.gz JSZXFFRWEITTTA-KWQFWETISA-N 0 3 263.297 1.436 20 5 CDBDHN CNC(=O)CCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000579968689 324333158 /nfs/dbraw/zinc/33/31/58/324333158.db2.gz PWHCQRKQIOZXAE-UHFFFAOYSA-N 0 3 277.324 1.479 20 5 CDBDHN C[C@H](CN(C)CCn1cc([N+](=O)[O-])cn1)c1nccs1 ZINC000183962617 524298042 /nfs/dbraw/zinc/29/80/42/524298042.db2.gz MVXZLHJGVLSWEF-SNVBAGLBSA-N 0 3 295.368 1.983 20 5 CDBDHN Cc1nc(N[C@@H]2CCN(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161536711 527002190 /nfs/dbraw/zinc/00/21/90/527002190.db2.gz OPTMPXFSPMIZRQ-SNVBAGLBSA-N 0 3 262.313 1.947 20 5 CDBDHN C[C@@H]1[C@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000771463808 575581289 /nfs/dbraw/zinc/58/12/89/575581289.db2.gz ZKSZMMDTSCRQED-XUJVJEKNSA-N 0 3 293.367 1.653 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)C1CC1 ZINC000771803316 575614091 /nfs/dbraw/zinc/61/40/91/575614091.db2.gz BJYJKNVXDRGDBF-CYBMUJFWSA-N 0 3 293.323 1.202 20 5 CDBDHN C[C@@H]1CCCN1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000742238025 576591138 /nfs/dbraw/zinc/59/11/38/576591138.db2.gz BFDYPZYKUIKBEN-LLVKDONJSA-N 0 3 277.324 1.809 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1COC[C@@H]1C ZINC000932493460 617316242 /nfs/dbraw/zinc/31/62/42/617316242.db2.gz GHZUWFOAAXQQCA-GXFFZTMASA-N 0 3 293.323 1.466 20 5 CDBDHN CCn1cc(CNCCn2cc([N+](=O)[O-])cn2)c(C)n1 ZINC000893136658 617403872 /nfs/dbraw/zinc/40/38/72/617403872.db2.gz ZLADISGZJABHJM-UHFFFAOYSA-N 0 3 278.316 1.106 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]1CO ZINC000934021502 617860616 /nfs/dbraw/zinc/86/06/16/617860616.db2.gz OHYWEGNWCNSOOG-LBPRGKRZSA-N 0 3 293.323 1.298 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNCCN1CC[C@H](O)C1 ZINC000895673136 619798877 /nfs/dbraw/zinc/79/88/77/619798877.db2.gz HEUMXUUDFMBHGU-LBPRGKRZSA-N 0 3 299.758 1.404 20 5 CDBDHN CCN(CCNCC[N+](=O)[O-])CCC(F)(F)F ZINC000905232237 626686242 /nfs/dbraw/zinc/68/62/42/626686242.db2.gz LWMAXBFUOHDQMM-UHFFFAOYSA-N 0 3 257.256 1.127 20 5 CDBDHN CC(C)[C@@H]1CN(C)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000153645986 631765270 /nfs/dbraw/zinc/76/52/70/631765270.db2.gz QUWQTNLSCHGTGO-LBPRGKRZSA-N 0 3 267.333 1.021 20 5 CDBDHN Cc1cnc(OC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000917148805 632165257 /nfs/dbraw/zinc/16/52/57/632165257.db2.gz FWNMWCCHPVGJHB-JTQLQIEISA-N 0 3 251.286 1.771 20 5 CDBDHN C[C@@H](Nc1ccc(N(C)C)cc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170576255 1162992013 /nfs/dbraw/zinc/99/20/13/1162992013.db2.gz ZOHGRWGAGQLIRD-YGRLFVJLSA-N 0 3 294.355 1.450 20 5 CDBDHN Cn1cc(-n2nc(CN)c3ccccc32)cc([N+](=O)[O-])c1=O ZINC001167697469 1159485817 /nfs/dbraw/zinc/48/58/17/1159485817.db2.gz AQIJMFBWWDTDFV-UHFFFAOYSA-N 0 3 299.290 1.091 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN[C@@H]2CNCCC2(F)F)cc1 ZINC001580875045 1172556913 /nfs/dbraw/zinc/55/69/13/1172556913.db2.gz VUJFGSKQVBXWBM-GFCCVEGCSA-N 0 3 285.294 1.724 20 5 CDBDHN C[NH+]1CCC(O[N-]C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000868091086 1164909063 /nfs/dbraw/zinc/90/90/63/1164909063.db2.gz VBNAUCCBKLBSJK-UHFFFAOYSA-N 0 3 297.286 1.490 20 5 CDBDHN COC[C@H](NCc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000886273510 773894149 /nfs/dbraw/zinc/89/41/49/773894149.db2.gz AFZUUKKBKOZRNG-ZDUSSCGKSA-N 0 3 295.339 1.521 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](CF)C2)c1 ZINC000880296748 774003226 /nfs/dbraw/zinc/00/32/26/774003226.db2.gz FYXKSMBIGBXXRW-GXFFZTMASA-N 0 3 268.288 1.920 20 5 CDBDHN CC(COC(=O)C[C@H](C)c1cnn(C)c1)[N+](=O)[O-] ZINC000842363058 774842211 /nfs/dbraw/zinc/84/22/11/774842211.db2.gz WMOZPMYHQKVYJM-IUCAKERBSA-N 0 3 255.274 1.122 20 5 CDBDHN CC(=O)N[C@@H](CCC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000851036815 775359115 /nfs/dbraw/zinc/35/91/15/775359115.db2.gz NKKUULGZEPIVFV-KOLCDFICSA-N 0 3 274.317 1.136 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](c3ccccn3)C2)n1 ZINC000799191134 775827610 /nfs/dbraw/zinc/82/76/10/775827610.db2.gz XFAYXIXMDJWCAE-LBPRGKRZSA-N 0 3 287.323 1.676 20 5 CDBDHN Cc1ccc2nc(C(=O)OCC(C)[N+](=O)[O-])cn2c1 ZINC000860777903 775878015 /nfs/dbraw/zinc/87/80/15/775878015.db2.gz YVWRWAUSVQPFJW-SECBINFHSA-N 0 3 263.253 1.465 20 5 CDBDHN CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813106796 775950720 /nfs/dbraw/zinc/95/07/20/775950720.db2.gz IAAZBSPGULXWJW-MRVPVSSYSA-N 0 3 298.251 1.816 20 5 CDBDHN C[C@H](O)CCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279840 776320494 /nfs/dbraw/zinc/32/04/94/776320494.db2.gz YIGKCOGPZFAXKK-GXFFZTMASA-N 0 3 268.313 1.331 20 5 CDBDHN N[C@H](CC1CC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000884173476 776343199 /nfs/dbraw/zinc/34/31/99/776343199.db2.gz XDGNOBBSSLOUGL-GFCCVEGCSA-N 0 3 297.742 1.992 20 5 CDBDHN CC(COC(=O)c1ncoc1-c1ccon1)[N+](=O)[O-] ZINC000851036192 776770721 /nfs/dbraw/zinc/77/07/21/776770721.db2.gz FCLZAMQRBURGTE-LURJTMIESA-N 0 3 267.197 1.152 20 5 CDBDHN COc1ccc(OCCN2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886334148 777121743 /nfs/dbraw/zinc/12/17/43/777121743.db2.gz RJQLZVPTCFSFDH-PHIMTYICSA-N 0 3 278.308 1.934 20 5 CDBDHN COc1cccc([C@H](OC)C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000851036195 778959783 /nfs/dbraw/zinc/95/97/83/778959783.db2.gz GKHJLPMAAHEQSS-CABZTGNLSA-N 0 3 283.280 1.591 20 5 CDBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])nnn1-c1ccccc1 ZINC000813107486 779041648 /nfs/dbraw/zinc/04/16/48/779041648.db2.gz QXXUAUSKLDNZFX-VIFPVBQESA-N 0 3 290.279 1.398 20 5 CDBDHN CC(COC(=O)c1nn(C)c2ccccc12)[N+](=O)[O-] ZINC000860777675 780178792 /nfs/dbraw/zinc/17/87/92/780178792.db2.gz SNLWKSNPSZTCNX-QMMMGPOBSA-N 0 3 263.253 1.395 20 5 CDBDHN COc1nc(N[C@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001155663142 927035255 /nfs/dbraw/zinc/03/52/55/927035255.db2.gz WTRVTRWXXXGKRA-JTQLQIEISA-N 0 3 278.312 1.505 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NC2(c3cnccn3)CC2)C1 ZINC001168997978 927603345 /nfs/dbraw/zinc/60/33/45/927603345.db2.gz GXKMEADAOMFKAY-WDEREUQCSA-N 0 3 262.313 1.501 20 5 CDBDHN CCCc1cc(CN)nn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987905 927625374 /nfs/dbraw/zinc/62/53/74/927625374.db2.gz LEZMFTMBTNJZTG-ZWNOBZJWSA-N 0 3 266.345 1.912 20 5 CDBDHN CC(C)[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169036992 927648218 /nfs/dbraw/zinc/64/82/18/927648218.db2.gz HUOAMXGRFNODOW-AVGNSLFASA-N 0 3 256.346 1.789 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)CCO)c1F ZINC001246912258 932422978 /nfs/dbraw/zinc/42/29/78/932422978.db2.gz KJJRCYIMCSGFSY-SECBINFHSA-N 0 3 286.303 1.598 20 5 CDBDHN C[C@H](N)c1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001155254394 937653727 /nfs/dbraw/zinc/65/37/27/937653727.db2.gz JJOOWSANVSLMLN-QMMMGPOBSA-N 0 3 298.306 1.931 20 5 CDBDHN Cn1cc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)cn1 ZINC001161855876 938935865 /nfs/dbraw/zinc/93/58/65/938935865.db2.gz OMOTYUOLIZPYNN-UHFFFAOYSA-N 0 3 273.296 1.544 20 5 CDBDHN Cc1cc(CN)nn1-c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C ZINC001163985249 939372603 /nfs/dbraw/zinc/37/26/03/939372603.db2.gz KWTFGWAKENUOAD-UHFFFAOYSA-N 0 3 291.267 1.764 20 5 CDBDHN CC[C@H](C)C[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000400987180 940862489 /nfs/dbraw/zinc/86/24/89/940862489.db2.gz ZGDSLFKIMKIBMM-GWCFXTLKSA-N 0 3 279.340 1.975 20 5 CDBDHN C[N@@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741914 942215953 /nfs/dbraw/zinc/21/59/53/942215953.db2.gz SWXJLDZSUZWVES-SECBINFHSA-N 0 3 262.269 1.554 20 5 CDBDHN C[N@H+]1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741914 942215956 /nfs/dbraw/zinc/21/59/56/942215956.db2.gz SWXJLDZSUZWVES-SECBINFHSA-N 0 3 262.269 1.554 20 5 CDBDHN CCN1CCC[C@H](Oc2ccnc([N+](=O)[O-])c2)C1 ZINC001233857490 943674489 /nfs/dbraw/zinc/67/44/89/943674489.db2.gz NAPCHQFIVGCCQM-NSHDSACASA-N 0 3 251.286 1.853 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](O)C1 ZINC001254550324 947521756 /nfs/dbraw/zinc/52/17/56/947521756.db2.gz HRFWQIPIVFJXPP-AAEUAGOBSA-N 0 3 264.325 1.983 20 5 CDBDHN CC[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC001322966889 960383608 /nfs/dbraw/zinc/38/36/08/960383608.db2.gz PMEPYZAXTJRPFT-CYBMUJFWSA-N 0 3 277.324 1.777 20 5 CDBDHN O=[N+]([O-])c1cc(CO)c(N[C@@H]2CN3CCC2CC3)cc1F ZINC001337316097 961107199 /nfs/dbraw/zinc/10/71/99/961107199.db2.gz ONJOOUNVMNVITO-CYBMUJFWSA-N 0 3 295.314 1.732 20 5 CDBDHN Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[n-]2)cc(C)[nH+]1 ZINC001346556379 965167433 /nfs/dbraw/zinc/16/74/33/965167433.db2.gz YNSYKSBRVKVOPF-UHFFFAOYSA-N 0 3 261.241 1.004 20 5 CDBDHN C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])N(C)C1CC1 ZINC000601034560 342460307 /nfs/dbraw/zinc/46/03/07/342460307.db2.gz CFHJELMXGIGHOU-VIFPVBQESA-N 0 3 295.314 1.946 20 5 CDBDHN CO[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000590760335 342592308 /nfs/dbraw/zinc/59/23/08/342592308.db2.gz NQNQTESMTHNSAP-ZIAGYGMSSA-N 0 3 296.323 1.055 20 5 CDBDHN CC1(C)CN[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000591669658 342641285 /nfs/dbraw/zinc/64/12/85/342641285.db2.gz UKORLGNNTBRBBW-LBPRGKRZSA-N 0 3 277.324 1.252 20 5 CDBDHN O=[N+]([O-])c1cc(CNCC[C@]2(O)CCCOC2)cs1 ZINC000593690994 342823444 /nfs/dbraw/zinc/82/34/44/342823444.db2.gz GVLGSJWQQHGXQK-GFCCVEGCSA-N 0 3 286.353 1.678 20 5 CDBDHN CN(CCN1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000593516161 342805481 /nfs/dbraw/zinc/80/54/81/342805481.db2.gz MXAZGSKOKHUHHF-UHFFFAOYSA-N 0 3 264.329 1.912 20 5 CDBDHN Cc1c(C(=O)NC[C@@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000108347066 349736233 /nfs/dbraw/zinc/73/62/33/349736233.db2.gz SGZVTYZKKFMXGG-LBPRGKRZSA-N 0 3 291.351 1.975 20 5 CDBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000515416070 362312619 /nfs/dbraw/zinc/31/26/19/362312619.db2.gz HJAIADZJODKPAX-VIFPVBQESA-N 0 3 295.343 1.120 20 5 CDBDHN CO[C@H]1CN[C@](C)(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602431664 344423666 /nfs/dbraw/zinc/42/36/66/344423666.db2.gz IZMGVMQQLQPQNY-RISCZKNCSA-N 0 3 293.323 1.609 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@H](C)C1 ZINC000602817307 344607401 /nfs/dbraw/zinc/60/74/01/344607401.db2.gz AJOKTUICTXILLQ-SNVBAGLBSA-N 0 3 284.385 1.785 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CCCC[C@@H]21 ZINC000602874252 344643323 /nfs/dbraw/zinc/64/33/23/344643323.db2.gz XRUKMUFOZFTLRO-RYUDHWBXSA-N 0 3 264.329 1.974 20 5 CDBDHN COC[C@@H](CO)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000603436428 344808707 /nfs/dbraw/zinc/80/87/07/344808707.db2.gz YIQDTDHAEODLIY-TUOYRWMMSA-N 0 3 280.324 1.595 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344242870 362558463 /nfs/dbraw/zinc/55/84/63/362558463.db2.gz PCSZIJZHWKSUKW-LBPRGKRZSA-N 0 3 295.314 1.948 20 5 CDBDHN Cc1c(NC(=O)CCN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000074324413 345681991 /nfs/dbraw/zinc/68/19/91/345681991.db2.gz UAIYCJBWBVHHTO-LLVKDONJSA-N 0 3 293.323 1.298 20 5 CDBDHN CO[C@@]1(CNCc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000160308081 345793717 /nfs/dbraw/zinc/79/37/17/345793717.db2.gz SHJUIFIPTJCFQF-CQSZACIVSA-N 0 3 280.324 1.798 20 5 CDBDHN Cc1ccnc(N2CC[C@H](OCCN(C)C)C2)c1[N+](=O)[O-] ZINC000610764450 346399083 /nfs/dbraw/zinc/39/90/83/346399083.db2.gz OSWOMRVVSHPYCJ-LBPRGKRZSA-N 0 3 294.355 1.455 20 5 CDBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000611221648 346695595 /nfs/dbraw/zinc/69/55/95/346695595.db2.gz DSLKLALCLWDTBI-GHMZBOCLSA-N 0 3 264.329 1.909 20 5 CDBDHN COc1ccc(C(=O)N2C[C@@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000086467866 179299274 /nfs/dbraw/zinc/29/92/74/179299274.db2.gz PQSMLUVVHGSMFN-NXEZZACHSA-N 0 3 293.323 1.426 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CCC3)C2)c1 ZINC000123220292 187078666 /nfs/dbraw/zinc/07/86/66/187078666.db2.gz MZMLTEOJZPOVLZ-UHFFFAOYSA-N 0 3 250.302 1.667 20 5 CDBDHN NC(=O)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000154991454 188175308 /nfs/dbraw/zinc/17/53/08/188175308.db2.gz ONPGWHUSIUJENJ-VUUYWXRKSA-N 0 3 289.335 1.805 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000411988212 363396390 /nfs/dbraw/zinc/39/63/90/363396390.db2.gz GQNAZLBJJHRUQI-OCCSQVGLSA-N 0 3 280.324 1.472 20 5 CDBDHN Cc1c(NC(=O)[C@H](C)NC2CC2)cccc1[N+](=O)[O-] ZINC000295718990 199633539 /nfs/dbraw/zinc/63/35/39/199633539.db2.gz NJKAJCUUGJMYBC-VIFPVBQESA-N 0 3 263.297 1.982 20 5 CDBDHN O=[N+]([O-])c1cccc(F)c1NC[C@@H](O)CN1CCCCC1 ZINC000286020091 356202391 /nfs/dbraw/zinc/20/23/91/356202391.db2.gz FTBCZYQXDOLDKP-LLVKDONJSA-N 0 3 297.330 1.993 20 5 CDBDHN CC(C)(CN1CCOCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000308639263 356330145 /nfs/dbraw/zinc/33/01/45/356330145.db2.gz IEXDZFRSIMRNCZ-UHFFFAOYSA-N 0 3 293.367 1.795 20 5 CDBDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1ncc([N+](=O)[O-])cn1 ZINC000273659663 192249923 /nfs/dbraw/zinc/24/99/23/192249923.db2.gz VVBZDHICHWPFSN-QWRGUYRKSA-N 0 3 279.344 1.917 20 5 CDBDHN Cc1ccc(NC(=O)/C=C/CN(C)C)cc1[N+](=O)[O-] ZINC000264602693 357443086 /nfs/dbraw/zinc/44/30/86/357443086.db2.gz FCVNXVSVYOSFJW-SNAWJCMRSA-N 0 3 263.297 1.960 20 5 CDBDHN CSC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188217891 357860972 /nfs/dbraw/zinc/86/09/72/357860972.db2.gz AEJMJBCGNPJMSR-BXKDBHETSA-N 0 3 270.354 1.969 20 5 CDBDHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)C1 ZINC000189685195 358035655 /nfs/dbraw/zinc/03/56/55/358035655.db2.gz KGNSFVPWZBXRMP-MRVPVSSYSA-N 0 3 256.331 1.805 20 5 CDBDHN COc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000286904013 358026198 /nfs/dbraw/zinc/02/61/98/358026198.db2.gz HDBYIMIIUMALRD-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN C[C@H](CNc1ncc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000230873370 358796510 /nfs/dbraw/zinc/79/65/10/358796510.db2.gz VXPJAVPROMHVIK-MRVPVSSYSA-N 0 3 251.290 1.279 20 5 CDBDHN C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C1CC1 ZINC000057719539 359066584 /nfs/dbraw/zinc/06/65/84/359066584.db2.gz FCPXYPVAJAGPPB-LLVKDONJSA-N 0 3 291.351 1.736 20 5 CDBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2CN(C)C[C@H]2C1 ZINC000287927338 359139460 /nfs/dbraw/zinc/13/94/60/359139460.db2.gz WYBRYBQZFDTAMK-TXEJJXNPSA-N 0 3 289.335 1.795 20 5 CDBDHN C[C@@H](C(=O)NC[C@H](C)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000347849791 359861227 /nfs/dbraw/zinc/86/12/27/359861227.db2.gz NJUSFIBWMPOXON-VHSXEESVSA-N 0 3 297.330 1.904 20 5 CDBDHN CCNC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228330309 360034119 /nfs/dbraw/zinc/03/41/19/360034119.db2.gz YZRAYMAJLPJVKE-JTQLQIEISA-N 0 3 265.313 1.772 20 5 CDBDHN NC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000148074003 360701607 /nfs/dbraw/zinc/70/16/07/360701607.db2.gz FMTPLFXMXJZXLS-UHFFFAOYSA-N 0 3 263.297 1.135 20 5 CDBDHN CN1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000229822580 360929344 /nfs/dbraw/zinc/92/93/44/360929344.db2.gz FLPUGKLQFTUHHX-FPLPWBNLSA-N 0 3 289.335 1.772 20 5 CDBDHN C[C@@]1(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])CCC(=O)N1 ZINC000572497172 360980034 /nfs/dbraw/zinc/98/00/34/360980034.db2.gz FHKYHZWEBTUXBL-WFASDCNBSA-N 0 3 289.335 1.840 20 5 CDBDHN CN1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000035121574 361265379 /nfs/dbraw/zinc/26/53/79/361265379.db2.gz SFSSVVZBZKAGGD-UHFFFAOYSA-N 0 3 277.284 1.637 20 5 CDBDHN C[C@@H](O)C[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000305236114 239388549 /nfs/dbraw/zinc/38/85/49/239388549.db2.gz XHEGUUQJKPEKTA-MNOVXSKESA-N 0 3 268.317 1.027 20 5 CDBDHN C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N(C)C ZINC000037985894 364013063 /nfs/dbraw/zinc/01/30/63/364013063.db2.gz VLBXLGPTKGKKQX-QMMMGPOBSA-N 0 3 266.301 1.056 20 5 CDBDHN COc1ccc(CN[C@@H](C)C[S@](C)=O)cc1[N+](=O)[O-] ZINC000168183538 364048200 /nfs/dbraw/zinc/04/82/00/364048200.db2.gz OKHUUTDNDSAQQC-ZRNGKTOUSA-N 0 3 286.353 1.460 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268152333 364369437 /nfs/dbraw/zinc/36/94/37/364369437.db2.gz MYDWIOGWVOJPOV-SCZZXKLOSA-N 0 3 265.317 1.223 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268199325 364445351 /nfs/dbraw/zinc/44/53/51/364445351.db2.gz OJIVUHPFYIYKLB-QMTHXVAHSA-N 0 3 289.335 1.807 20 5 CDBDHN CO[C@@H]1COC[C@@H]1N[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000459748570 366933267 /nfs/dbraw/zinc/93/32/67/366933267.db2.gz DYGCUCJWQJRBHM-OSAQELSMSA-N 0 3 294.351 1.919 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCCSCC2)c1 ZINC000089980799 366999825 /nfs/dbraw/zinc/99/98/25/366999825.db2.gz QWRRJJIQUZJERG-UHFFFAOYSA-N 0 3 256.331 1.230 20 5 CDBDHN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN[C@@H](C)C1 ZINC000420334577 244102371 /nfs/dbraw/zinc/10/23/71/244102371.db2.gz IZHUMQMHIXXBPV-WDEREUQCSA-N 0 3 292.339 1.216 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000037646934 369495689 /nfs/dbraw/zinc/49/56/89/369495689.db2.gz VDBNTTJWZRWQAB-SECBINFHSA-N 0 3 297.742 1.930 20 5 CDBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000066947559 374374442 /nfs/dbraw/zinc/37/44/42/374374442.db2.gz IFDXAJOSUGBBGP-SNVBAGLBSA-N 0 3 281.312 1.744 20 5 CDBDHN C[C@H](NC[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423513041 374388396 /nfs/dbraw/zinc/38/83/96/374388396.db2.gz BYFFCISWCBLYRP-GWCFXTLKSA-N 0 3 265.313 1.234 20 5 CDBDHN O=[N+]([O-])c1cc(CNCC2(N3CCOCC3)CC2)cs1 ZINC000277430118 374787825 /nfs/dbraw/zinc/78/78/25/374787825.db2.gz CAJKWOKPCQAHTQ-UHFFFAOYSA-N 0 3 297.380 1.611 20 5 CDBDHN COc1ccc(CNCC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000282359609 375081505 /nfs/dbraw/zinc/08/15/05/375081505.db2.gz NGAGUOAVHBDFKE-HXUWFJFHSA-N 0 3 298.364 1.604 20 5 CDBDHN CC(C)(C)NCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016473601 375130260 /nfs/dbraw/zinc/13/02/60/375130260.db2.gz KPKXXVVOZWIBJR-UHFFFAOYSA-N 0 3 251.286 1.921 20 5 CDBDHN CCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296275589 375295952 /nfs/dbraw/zinc/29/59/52/375295952.db2.gz HAEMVDQXWASPQR-JTQLQIEISA-N 0 3 265.317 1.589 20 5 CDBDHN CN1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057005800 375392622 /nfs/dbraw/zinc/39/26/22/375392622.db2.gz SISXITKIHGQEKD-UHFFFAOYSA-N 0 3 292.339 1.488 20 5 CDBDHN CN1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131750561 375334375 /nfs/dbraw/zinc/33/43/75/375334375.db2.gz OZYCCDJVUHKBGQ-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CCC[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353445435 375609756 /nfs/dbraw/zinc/60/97/56/375609756.db2.gz WTONOJXDIQAYPY-LLVKDONJSA-N 0 3 281.312 1.347 20 5 CDBDHN C[C@H]1OCC[C@]1(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000227968179 375658125 /nfs/dbraw/zinc/65/81/25/375658125.db2.gz FKWRTYOUMZGVQS-MFKMUULPSA-N 0 3 266.297 1.224 20 5 CDBDHN COc1ccc(CNC[C@]2(O)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000227971052 375659649 /nfs/dbraw/zinc/65/96/49/375659649.db2.gz UTSLKGFMKPZJHX-IINYFYTJSA-N 0 3 296.323 1.233 20 5 CDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cn1)N1CCCC[C@@H]1C ZINC000354512432 375720954 /nfs/dbraw/zinc/72/09/54/375720954.db2.gz SPKYNTYSWFXRHN-QWRGUYRKSA-N 0 3 279.344 1.482 20 5 CDBDHN Cc1c([C@H](C)NC[C@H](O)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000358047829 375948482 /nfs/dbraw/zinc/94/84/82/375948482.db2.gz OIUXYSXWXFPFTK-ZOWXZIJZSA-N 0 3 294.351 1.951 20 5 CDBDHN Cc1nc(NCCN2CCCCCC2)ncc1[N+](=O)[O-] ZINC000296630728 376613847 /nfs/dbraw/zinc/61/38/47/376613847.db2.gz VQUFYXISDXZDIA-UHFFFAOYSA-N 0 3 279.344 1.981 20 5 CDBDHN CCOC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296680728 377206918 /nfs/dbraw/zinc/20/69/18/377206918.db2.gz IFEOGURAELNHDQ-GWCFXTLKSA-N 0 3 268.313 1.643 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC[C@@H]1CCCO1 ZINC000232740926 377415324 /nfs/dbraw/zinc/41/53/24/377415324.db2.gz BZOQRPPLPZNKOV-LBPRGKRZSA-N 0 3 293.323 1.610 20 5 CDBDHN Cc1nn(C)c(N2CC[C@]3(C2)CCCN(C)C3)c1[N+](=O)[O-] ZINC000571862837 377568924 /nfs/dbraw/zinc/56/89/24/377568924.db2.gz SYAKJUSQRBGPIA-CQSZACIVSA-N 0 3 293.371 1.559 20 5 CDBDHN CCN(CCNC(=O)Nc1ccncc1[N+](=O)[O-])C1CC1 ZINC000183580936 391264074 /nfs/dbraw/zinc/26/40/74/391264074.db2.gz NKDBROHNWUNRKE-UHFFFAOYSA-N 0 3 293.327 1.596 20 5 CDBDHN C[C@@H]1CSCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000190470158 130107958 /nfs/dbraw/zinc/10/79/58/130107958.db2.gz LOVPMZDISSCBJB-JTQLQIEISA-N 0 3 270.358 1.476 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCC(N)=O ZINC000353192022 391901260 /nfs/dbraw/zinc/90/12/60/391901260.db2.gz ADZXFEFJVXWAHT-SNVBAGLBSA-N 0 3 265.313 1.771 20 5 CDBDHN COCCN(C)CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000263737802 131319625 /nfs/dbraw/zinc/31/96/25/131319625.db2.gz IERUUMQDZTUOEC-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN COC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268934318 132090677 /nfs/dbraw/zinc/09/06/77/132090677.db2.gz RISNEENERIBABV-MNOVXSKESA-N 0 3 268.313 1.561 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N(C)C ZINC000449223431 393131107 /nfs/dbraw/zinc/13/11/07/393131107.db2.gz JTIRPIYTUPHGPS-SNVBAGLBSA-N 0 3 265.313 1.204 20 5 CDBDHN C[C@H](O)CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000131333899 393201257 /nfs/dbraw/zinc/20/12/57/393201257.db2.gz BBUXORFCEGFEIU-JTQLQIEISA-N 0 3 254.286 1.286 20 5 CDBDHN N[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000423226376 397602831 /nfs/dbraw/zinc/60/28/31/397602831.db2.gz QMJRZHQWMJMTHN-CYBMUJFWSA-N 0 3 277.324 1.381 20 5 CDBDHN CO[C@@]1(C)C[C@@H](N(C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000176286894 148034686 /nfs/dbraw/zinc/03/46/86/148034686.db2.gz LACHCSMGLCKJRI-RISCZKNCSA-N 0 3 296.371 1.927 20 5 CDBDHN C[C@@H](NC(=O)[C@H](N)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000312516806 149233537 /nfs/dbraw/zinc/23/35/37/149233537.db2.gz SUSGZKKKFNBRSK-GMSGAONNSA-N 0 3 287.266 1.755 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000333982132 149293885 /nfs/dbraw/zinc/29/38/85/149293885.db2.gz HLGYWKZYCOCWAV-ONGXEEELSA-N 0 3 295.314 1.946 20 5 CDBDHN C[C@H](NCCNc1cnccn1)c1cccc([N+](=O)[O-])c1 ZINC000361983320 159032314 /nfs/dbraw/zinc/03/23/14/159032314.db2.gz UJVKBGDZPYJRKB-NSHDSACASA-N 0 3 287.323 1.569 20 5 CDBDHN Cc1c(CN2C[C@H](CO)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000362090281 159067715 /nfs/dbraw/zinc/06/77/15/159067715.db2.gz MUOXSACJUTVWCO-ZWNOBZJWSA-N 0 3 264.325 1.963 20 5 CDBDHN CCC(=O)CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373287497 160189500 /nfs/dbraw/zinc/18/95/00/160189500.db2.gz VLGDQUXXDNBFOC-UHFFFAOYSA-N 0 3 280.328 1.797 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000285634547 196350886 /nfs/dbraw/zinc/35/08/86/196350886.db2.gz XKONMKPEVMEBSZ-LBPRGKRZSA-N 0 3 266.297 1.085 20 5 CDBDHN COc1ccc(CNC[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000071305269 176115793 /nfs/dbraw/zinc/11/57/93/176115793.db2.gz UFWZZXVXHCKEKB-GFCCVEGCSA-N 0 3 266.297 1.464 20 5 CDBDHN CNC(=O)C[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000322757697 270331117 /nfs/dbraw/zinc/33/11/17/270331117.db2.gz FPAHGSQFGFULKU-JTQLQIEISA-N 0 3 265.313 1.517 20 5 CDBDHN CC(C)N1CCCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000524095197 281104153 /nfs/dbraw/zinc/10/41/53/281104153.db2.gz DLFCZNXSFWJHAQ-UHFFFAOYSA-N 0 3 294.355 1.490 20 5 CDBDHN NC(=O)[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255289793 289363684 /nfs/dbraw/zinc/36/36/84/289363684.db2.gz ONPGWHUSIUJENJ-RJNRQISESA-N 0 3 289.335 1.805 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1CN1CCCCC1 ZINC000547960891 289823524 /nfs/dbraw/zinc/82/35/24/289823524.db2.gz SUAZGQHKMODJIL-LBPRGKRZSA-N 0 3 293.371 1.783 20 5 CDBDHN CC[C@@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000568514605 294051267 /nfs/dbraw/zinc/05/12/67/294051267.db2.gz NGVYUEREULCTAM-CYBMUJFWSA-N 0 3 277.324 1.823 20 5 CDBDHN CNc1ccc(C(=O)N2CCN[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000579241573 324138802 /nfs/dbraw/zinc/13/88/02/324138802.db2.gz CJEIBQNBVZZTQB-VHSXEESVSA-N 0 3 292.339 1.459 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000054131581 520232464 /nfs/dbraw/zinc/23/24/64/520232464.db2.gz LPMHJBUWOGCRKN-UHFFFAOYSA-N 0 3 285.731 1.930 20 5 CDBDHN C[C@H](CNc1ncccc1[N+](=O)[O-])N(C)C1CC1 ZINC000068913158 524512258 /nfs/dbraw/zinc/51/22/58/524512258.db2.gz OBIDSOARFBTUKP-SECBINFHSA-N 0 3 250.302 1.884 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCN(C)C1 ZINC000729681897 574820536 /nfs/dbraw/zinc/82/05/36/574820536.db2.gz MNXAOQFWCWVTML-GFCCVEGCSA-N 0 3 279.340 1.787 20 5 CDBDHN CC1(CO)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000762626473 576659098 /nfs/dbraw/zinc/65/90/98/576659098.db2.gz WDOVJMOFSHQSBR-AWEZNQCLSA-N 0 3 294.351 1.723 20 5 CDBDHN C[C@@H](N[C@@H](CO)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000763062114 576706106 /nfs/dbraw/zinc/70/61/06/576706106.db2.gz ACQVHPFDBCAAKN-RNCFNFMXSA-N 0 3 293.323 1.282 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CCCO2)c1 ZINC000749650098 576956772 /nfs/dbraw/zinc/95/67/72/576956772.db2.gz ZKOUMEUCBWLZTE-OLZOCXBDSA-N 0 3 266.297 1.397 20 5 CDBDHN CC(COC(=O)c1ccccc1SCC(N)=O)[N+](=O)[O-] ZINC000813114050 617347855 /nfs/dbraw/zinc/34/78/55/617347855.db2.gz LNZYWPWLQUAZCN-QMMMGPOBSA-N 0 3 298.320 1.086 20 5 CDBDHN Cc1cc(CNCCn2cc([N+](=O)[O-])cn2)cnc1F ZINC000893135248 617402035 /nfs/dbraw/zinc/40/20/35/617402035.db2.gz PJGAXFRSACRXSC-UHFFFAOYSA-N 0 3 279.275 1.424 20 5 CDBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000892608964 617532825 /nfs/dbraw/zinc/53/28/25/617532825.db2.gz STAOJQHROOAWAZ-CMPLNLGQSA-N 0 3 298.364 1.508 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000895193286 619444769 /nfs/dbraw/zinc/44/47/69/619444769.db2.gz SPRZHLFPJUZLND-VHSXEESVSA-N 0 3 265.317 1.001 20 5 CDBDHN C[C@@H]1CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905976040 627065022 /nfs/dbraw/zinc/06/50/22/627065022.db2.gz XNNMNQKVPCMXHS-MNOVXSKESA-N 0 3 266.297 1.429 20 5 CDBDHN COc1cc([N+](=O)[O-])c(N[C@H](C)[C@H]2CNCCO2)cc1F ZINC001170567736 1162950942 /nfs/dbraw/zinc/95/09/42/1162950942.db2.gz LPNDZSIWTWLADF-AMIZOPFISA-N 0 3 299.302 1.531 20 5 CDBDHN C[C@@H](Nc1cccc2ncc([N+](=O)[O-])n21)[C@H]1CNCCO1 ZINC001170577076 1162996997 /nfs/dbraw/zinc/99/69/97/1162996997.db2.gz XZAHMOMYTYWQHT-NXEZZACHSA-N 0 3 291.311 1.031 20 5 CDBDHN CC(COC(=O)C[C@@H]1COc2ccccc2O1)[N+](=O)[O-] ZINC000835457734 782355577 /nfs/dbraw/zinc/35/55/77/782355577.db2.gz ZXIVIJFDZDYUHQ-VHSXEESVSA-N 0 3 281.264 1.425 20 5 CDBDHN CC(COC(=O)[C@@H](C)Oc1ccccn1)[N+](=O)[O-] ZINC000835456163 783014988 /nfs/dbraw/zinc/01/49/88/783014988.db2.gz SBQSPCFJHOBKEW-DTWKUNHWSA-N 0 3 254.242 1.057 20 5 CDBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@](C)(O)CN(C)C ZINC000808005733 781017423 /nfs/dbraw/zinc/01/74/23/781017423.db2.gz RZBORFUXMKVPDT-CQSZACIVSA-N 0 3 295.339 1.522 20 5 CDBDHN CN(CCO)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000884825250 781278442 /nfs/dbraw/zinc/27/84/42/781278442.db2.gz NDUBHYXVHTTYLL-UHFFFAOYSA-N 0 3 294.355 1.205 20 5 CDBDHN Cc1c(Cn2cc([C@@H](C)N)nn2)cccc1[N+](=O)[O-] ZINC000124178449 783238265 /nfs/dbraw/zinc/23/82/65/783238265.db2.gz TXVWXXDSTQHJRD-SECBINFHSA-N 0 3 261.285 1.563 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[C@H](O)C1 ZINC000873177285 783361084 /nfs/dbraw/zinc/36/10/84/783361084.db2.gz CQBKFZTXJPVADK-MJHDQNEOSA-N 0 3 280.324 1.854 20 5 CDBDHN O=[N+]([O-])c1ccc(F)cc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000839647813 936917616 /nfs/dbraw/zinc/91/76/16/936917616.db2.gz WKYZKQSYWUZYFG-ZWNOBZJWSA-N 0 3 298.314 1.611 20 5 CDBDHN NCc1ccnn1-c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001155125128 926565499 /nfs/dbraw/zinc/56/54/99/926565499.db2.gz TYLKXKXCKDWBGJ-UHFFFAOYSA-N 0 3 296.290 1.696 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3cnccn3)CC2)C1 ZINC001169005766 927608884 /nfs/dbraw/zinc/60/88/84/927608884.db2.gz CWSPFGLCYOMHBO-QWHCGFSZSA-N 0 3 291.355 1.044 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ncccn3)CC2)C1 ZINC001169009399 927614720 /nfs/dbraw/zinc/61/47/20/927614720.db2.gz WBROZRMUIMATMQ-STQMWFEESA-N 0 3 291.355 1.044 20 5 CDBDHN C[C@H](Nc1cc(Cl)ncc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001159498910 930308843 /nfs/dbraw/zinc/30/88/43/930308843.db2.gz RYVVDTJMOJRQIS-XVKPBYJWSA-N 0 3 286.719 1.432 20 5 CDBDHN COC[C@H](NCc1cccnc1[N+](=O)[O-])C(C)C ZINC000886127133 930811178 /nfs/dbraw/zinc/81/11/78/930811178.db2.gz BTIXYRINDFQANN-NSHDSACASA-N 0 3 253.302 1.750 20 5 CDBDHN CC(=O)Nc1cccc(CC(=O)OCC(C)[N+](=O)[O-])c1 ZINC000821166994 931018187 /nfs/dbraw/zinc/01/81/87/931018187.db2.gz MFQHTMHRBJDISW-VIFPVBQESA-N 0 3 280.280 1.396 20 5 CDBDHN CC[C@@H]1CN(C)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823195346 931271262 /nfs/dbraw/zinc/27/12/62/931271262.db2.gz VKMXOTLXJPMMSP-HIFRSBDPSA-N 0 3 293.367 1.654 20 5 CDBDHN CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000843990089 931522115 /nfs/dbraw/zinc/52/21/15/931522115.db2.gz QWZRNCJENSLYTI-LBPRGKRZSA-N 0 3 285.388 1.765 20 5 CDBDHN COc1cc(-n2nc(CN)c3ccccc32)ncc1[N+](=O)[O-] ZINC001156855715 938426268 /nfs/dbraw/zinc/42/62/68/938426268.db2.gz NNKNZJDRUZAMSE-UHFFFAOYSA-N 0 3 299.290 1.796 20 5 CDBDHN CN1CCC[C@@](C)(Nc2cc([N+](=O)[O-])ccn2)C1 ZINC001162331487 939026132 /nfs/dbraw/zinc/02/61/32/939026132.db2.gz QVBWRRFXPXVLJY-GFCCVEGCSA-N 0 3 250.302 1.886 20 5 CDBDHN CCN1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2)C1 ZINC001226711347 942054030 /nfs/dbraw/zinc/05/40/30/942054030.db2.gz CMDGFAHIVWJYGE-NSHDSACASA-N 0 3 251.286 1.853 20 5 CDBDHN CCN1CC[C@H](Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001227046102 942120161 /nfs/dbraw/zinc/12/01/61/942120161.db2.gz FBKFHFAQJFWWEY-NSHDSACASA-N 0 3 294.307 1.854 20 5 CDBDHN COC(=O)c1ccc(O[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC001234052319 943728038 /nfs/dbraw/zinc/72/80/38/943728038.db2.gz RMEZVOBBEDXFAZ-LLVKDONJSA-N 0 3 294.307 1.854 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[C@@H](F)[C@H](O)C1)C2 ZINC001254593154 947546291 /nfs/dbraw/zinc/54/62/91/947546291.db2.gz JMLMZPFUKTUSML-MGPQQGTHSA-N 0 3 280.299 1.467 20 5 CDBDHN Cn1cc([N+](=O)[O-])c(N2CCN(C)C3(CCCCC3)C2)n1 ZINC001307124741 956364810 /nfs/dbraw/zinc/36/48/10/956364810.db2.gz SCHHTMXHYXPIRV-UHFFFAOYSA-N 0 3 293.371 1.783 20 5 CDBDHN COc1c(O)ccc(CN[C@H](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC001308637473 956556436 /nfs/dbraw/zinc/55/64/36/956556436.db2.gz MOIHELFKGGZZQF-BDAKNGLRSA-N 0 3 284.312 1.558 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC001308637473 956556445 /nfs/dbraw/zinc/55/64/45/956556445.db2.gz MOIHELFKGGZZQF-BDAKNGLRSA-N 0 3 284.312 1.558 20 5 CDBDHN CCCn1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)n1 ZINC001346122689 964942146 /nfs/dbraw/zinc/94/21/46/964942146.db2.gz FLYRZTBKMBHVGZ-MRVPVSSYSA-N 0 3 255.274 1.424 20 5 CDBDHN Cc1c(CNCCn2cccn2)cccc1[N+](=O)[O-] ZINC000049076586 781919066 /nfs/dbraw/zinc/91/90/66/781919066.db2.gz NZRUEMKCGDAXDP-UHFFFAOYSA-N 0 3 260.297 1.890 20 5 CDBDHN O=[N+]([O-])c1cccc(N2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000047745624 342119165 /nfs/dbraw/zinc/11/91/65/342119165.db2.gz HDWKZPDNSNNFTE-ZDUSSCGKSA-N 0 3 291.351 1.753 20 5 CDBDHN C[C@@H](CCO)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593109511 342769115 /nfs/dbraw/zinc/76/91/15/342769115.db2.gz ZHMMGTGDUYYDRD-RYUDHWBXSA-N 0 3 298.339 1.037 20 5 CDBDHN C[C@H](CC[S@](C)=O)NCc1cccc([N+](=O)[O-])c1 ZINC000125533258 187190336 /nfs/dbraw/zinc/19/03/36/187190336.db2.gz ACLVHKNKBCKLRA-MLCYQJTMSA-N 0 3 270.354 1.842 20 5 CDBDHN CC(C)c1ccc(CNC[C@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600677544 342241995 /nfs/dbraw/zinc/24/19/95/342241995.db2.gz GFDSFEYABPLZFP-ZDUSSCGKSA-N 0 3 293.367 1.796 20 5 CDBDHN CC(C)C(=O)NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594490713 342913675 /nfs/dbraw/zinc/91/36/75/342913675.db2.gz QTCSTOVXVBHJGM-ZDUSSCGKSA-N 0 3 291.351 1.944 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN(C)C1 ZINC000609383012 342264462 /nfs/dbraw/zinc/26/44/62/342264462.db2.gz ACJZCHACWBTJMH-SNVBAGLBSA-N 0 3 280.328 1.005 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](CO)CCF ZINC000594508778 342914867 /nfs/dbraw/zinc/91/48/67/342914867.db2.gz WBASIGKCAROZGE-CABZTGNLSA-N 0 3 268.288 1.892 20 5 CDBDHN O=[N+]([O-])c1cccnc1N[C@H]1CCN(CC2CC2)C1 ZINC000609384318 342267880 /nfs/dbraw/zinc/26/78/80/342267880.db2.gz ILVBOEXQUNWCRX-NSHDSACASA-N 0 3 262.313 1.886 20 5 CDBDHN Cc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000108341274 349736237 /nfs/dbraw/zinc/73/62/37/349736237.db2.gz SFKHRYZYYKRMGS-LBPRGKRZSA-N 0 3 291.351 1.975 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CNC(=O)C1 ZINC000595043783 342998532 /nfs/dbraw/zinc/99/85/32/342998532.db2.gz AFAASPPPNYSJCO-NXEZZACHSA-N 0 3 293.323 1.390 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@](C)(O)CC1 ZINC000230379957 349777564 /nfs/dbraw/zinc/77/75/64/349777564.db2.gz AUNCUKUXIWIIIJ-ZDUSSCGKSA-N 0 3 282.344 1.337 20 5 CDBDHN O=C1C[C@H](CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CN1 ZINC000595388058 343053072 /nfs/dbraw/zinc/05/30/72/343053072.db2.gz TVEURIXFMHFRNZ-NSHDSACASA-N 0 3 289.335 1.695 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000078437129 342337174 /nfs/dbraw/zinc/33/71/74/342337174.db2.gz IHWYUNDLKJTLDE-CYBMUJFWSA-N 0 3 291.351 1.753 20 5 CDBDHN C[C@@H](O)[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000595770126 343147057 /nfs/dbraw/zinc/14/70/57/343147057.db2.gz NIYANDFRWHPKDD-VXGBXAGGSA-N 0 3 280.324 1.819 20 5 CDBDHN C[C@H]1CCN[C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000126469564 187241937 /nfs/dbraw/zinc/24/19/37/187241937.db2.gz QPYVZLOJOWFPFI-GXFFZTMASA-N 0 3 277.324 1.599 20 5 CDBDHN CC[NH+](CC)C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596088973 343233547 /nfs/dbraw/zinc/23/35/47/343233547.db2.gz DBUZQQRSRQWPLG-SECBINFHSA-N 0 3 268.317 1.838 20 5 CDBDHN CCC[N@H+](CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596151306 343245921 /nfs/dbraw/zinc/24/59/21/343245921.db2.gz HEKAQVYHKFTDCY-UHFFFAOYSA-N 0 3 268.317 1.839 20 5 CDBDHN CCC[N@@H+](CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596151306 343245922 /nfs/dbraw/zinc/24/59/22/343245922.db2.gz HEKAQVYHKFTDCY-UHFFFAOYSA-N 0 3 268.317 1.839 20 5 CDBDHN CN(C)CCN(CC(=O)N(C)C)c1ccccc1[N+](=O)[O-] ZINC000596461620 343317536 /nfs/dbraw/zinc/31/75/36/343317536.db2.gz GXXJDNWEUKVMKW-UHFFFAOYSA-N 0 3 294.355 1.051 20 5 CDBDHN CCN(Cc1ccoc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304343605 349831501 /nfs/dbraw/zinc/83/15/01/349831501.db2.gz ZRBXAJMTLYEKJT-ZDUSSCGKSA-N 0 3 294.311 1.267 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCN1 ZINC000598573448 343832899 /nfs/dbraw/zinc/83/28/99/343832899.db2.gz JCLCKADSZQQNNQ-VIFPVBQESA-N 0 3 267.285 1.258 20 5 CDBDHN CC1(C)CC[C@H](CO)N(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000598647370 343857060 /nfs/dbraw/zinc/85/70/60/343857060.db2.gz LELXPVXULMVUKS-LLVKDONJSA-N 0 3 282.344 1.274 20 5 CDBDHN CO[C@H]1C[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000599017525 343944753 /nfs/dbraw/zinc/94/47/53/343944753.db2.gz ZKLGXUAUMOCGLS-XYPYZODXSA-N 0 3 294.307 1.633 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCN1CC[C@H](O)C1 ZINC000599093033 343952794 /nfs/dbraw/zinc/95/27/94/343952794.db2.gz MVGYBUJGXXYEMG-SMDDNHRTSA-N 0 3 291.351 1.238 20 5 CDBDHN Cc1ccc([C@@H](C)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599094282 343953367 /nfs/dbraw/zinc/95/33/67/343953367.db2.gz SMBDFHLBKXFMDH-OCCSQVGLSA-N 0 3 293.367 1.620 20 5 CDBDHN COCC1(N(C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602801646 344591533 /nfs/dbraw/zinc/59/15/33/344591533.db2.gz YGSNMEKECFFLNQ-UHFFFAOYSA-N 0 3 268.317 1.211 20 5 CDBDHN COCC1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602802586 344592102 /nfs/dbraw/zinc/59/21/02/344592102.db2.gz QRJTUEUOCYSFOU-UHFFFAOYSA-N 0 3 296.371 1.848 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1[C@@H]1CCCO1 ZINC000602826246 344611925 /nfs/dbraw/zinc/61/19/25/344611925.db2.gz JUBCOHJEOONTIA-STQMWFEESA-N 0 3 294.355 1.743 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])n1cc(CCN(C)C)nn1 ZINC000603213581 344744177 /nfs/dbraw/zinc/74/41/77/344744177.db2.gz DCRRMINTTAZANG-LLVKDONJSA-N 0 3 289.339 1.900 20 5 CDBDHN Cc1cc(C(=O)NC[C@H](C)N(C)C)ccc1[N+](=O)[O-] ZINC000033092964 345441152 /nfs/dbraw/zinc/44/11/52/345441152.db2.gz HVWGBRCWNJVECL-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN Cc1ncc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)s1 ZINC000090539999 347782690 /nfs/dbraw/zinc/78/26/90/347782690.db2.gz SIDPFOVHMUKNDS-MRVPVSSYSA-N 0 3 281.341 1.907 20 5 CDBDHN CCCc1n[nH]c(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000069082418 349089123 /nfs/dbraw/zinc/08/91/23/349089123.db2.gz ATMNTBVNBFNBKY-UHFFFAOYSA-N 0 3 295.343 1.094 20 5 CDBDHN COC[C@H](O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090949677 180071898 /nfs/dbraw/zinc/07/18/98/180071898.db2.gz UDQSBWWDMZQRRT-DGCLKSJQSA-N 0 3 282.340 1.951 20 5 CDBDHN CC[C@H](CSC)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000091099382 180097291 /nfs/dbraw/zinc/09/72/91/180097291.db2.gz DJCWSOJKLXZJBW-SNVBAGLBSA-N 0 3 272.374 1.865 20 5 CDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000619786104 350848470 /nfs/dbraw/zinc/84/84/70/350848470.db2.gz FHPARDDWHXAEGT-JTQLQIEISA-N 0 3 293.327 1.018 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCCO1 ZINC000157768221 188337433 /nfs/dbraw/zinc/33/74/33/188337433.db2.gz GWNXUTQNUGRRIZ-LBPRGKRZSA-N 0 3 268.317 1.292 20 5 CDBDHN C[C@@H](CCN1CCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000124243489 295863938 /nfs/dbraw/zinc/86/39/38/295863938.db2.gz SCSQLIZCIZAMGV-ZDUSSCGKSA-N 0 3 293.367 1.795 20 5 CDBDHN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C1=CCN(C)CC1 ZINC000273007137 192015845 /nfs/dbraw/zinc/01/58/45/192015845.db2.gz RVUCHUYUOQAZFQ-SECBINFHSA-N 0 3 265.317 1.391 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)C2CCOCC2)cc1 ZINC000359875724 356429164 /nfs/dbraw/zinc/42/91/64/356429164.db2.gz NUSHPKJXQPJYDU-CQSZACIVSA-N 0 3 280.324 1.472 20 5 CDBDHN CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000408052939 357795526 /nfs/dbraw/zinc/79/55/26/357795526.db2.gz WKZNRLXJZHZZSS-MFKMUULPSA-N 0 3 292.339 1.479 20 5 CDBDHN Cc1ccc(CN2C[C@H](CO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000361657691 358403310 /nfs/dbraw/zinc/40/33/10/358403310.db2.gz WKXFYQXIEZIHDL-DGCLKSJQSA-N 0 3 264.325 1.963 20 5 CDBDHN CN(CCNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000264869334 358750195 /nfs/dbraw/zinc/75/01/95/358750195.db2.gz PBZLNGMUOVWUBA-UHFFFAOYSA-N 0 3 292.339 1.488 20 5 CDBDHN COC[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176243363 358750272 /nfs/dbraw/zinc/75/02/72/358750272.db2.gz CUSJTZOFGAMUSO-NSHDSACASA-N 0 3 268.317 1.150 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@]1(O)CCOC1 ZINC000539044170 358942799 /nfs/dbraw/zinc/94/27/99/358942799.db2.gz KFSLDTSDOGXKLH-BXUZGUMPSA-N 0 3 280.324 1.705 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCSC1 ZINC000119977615 359052841 /nfs/dbraw/zinc/05/28/41/359052841.db2.gz HDWMOGBUXRNAFY-SECBINFHSA-N 0 3 256.331 1.229 20 5 CDBDHN C[C@H]1OCC[C@@]1(O)CNCc1ccccc1[N+](=O)[O-] ZINC000227979708 291221089 /nfs/dbraw/zinc/22/10/89/291221089.db2.gz QBTNXNSHXGVIFB-ZWNOBZJWSA-N 0 3 266.297 1.224 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)N(C)C)n1 ZINC000166738946 360269679 /nfs/dbraw/zinc/26/96/79/360269679.db2.gz FCRKYTPCEMVPSB-MRVPVSSYSA-N 0 3 282.300 1.138 20 5 CDBDHN C[C@@]1(O)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000177978927 189083184 /nfs/dbraw/zinc/08/31/84/189083184.db2.gz IMGOOXBZVYCFAY-CYBMUJFWSA-N 0 3 266.297 1.430 20 5 CDBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCCC[C@@H]2CO)c1 ZINC000178856846 189150974 /nfs/dbraw/zinc/15/09/74/189150974.db2.gz YAGSSYQADXVBBO-KGLIPLIRSA-N 0 3 280.324 1.475 20 5 CDBDHN CC[C@@H]1C[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575117213 360833006 /nfs/dbraw/zinc/83/30/06/360833006.db2.gz AFDNLIVCONTLIY-ZWNOBZJWSA-N 0 3 298.364 1.757 20 5 CDBDHN N[C@H](CC(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000345719402 361419288 /nfs/dbraw/zinc/41/92/88/361419288.db2.gz PUBASUBAFMVNQY-LLVKDONJSA-N 0 3 299.277 1.462 20 5 CDBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000580442805 363908319 /nfs/dbraw/zinc/90/83/19/363908319.db2.gz UEKLPCWSTPPPRQ-UHFFFAOYSA-N 0 3 265.313 1.924 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000345816313 364023262 /nfs/dbraw/zinc/02/32/62/364023262.db2.gz LFINIIAJXVJUKR-CHWSQXEVSA-N 0 3 291.351 1.908 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000457127192 365415609 /nfs/dbraw/zinc/41/56/09/365415609.db2.gz RLRHDIBGEHBCHJ-SNVBAGLBSA-N 0 3 280.328 1.478 20 5 CDBDHN CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000270826091 366934631 /nfs/dbraw/zinc/93/46/31/366934631.db2.gz BXUGDUWGALDCKB-RISCZKNCSA-N 0 3 280.324 1.676 20 5 CDBDHN COc1ccc(CN2CCNC[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414767242 241375067 /nfs/dbraw/zinc/37/50/67/241375067.db2.gz JHWFRUPIXRDOQS-CQSZACIVSA-N 0 3 297.330 1.737 20 5 CDBDHN C[C@]1(F)CNCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000414767250 241375729 /nfs/dbraw/zinc/37/57/29/241375729.db2.gz JKXNTADNTHYTHL-NSHDSACASA-N 0 3 273.333 1.790 20 5 CDBDHN C[C@H](NCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295989288 370822189 /nfs/dbraw/zinc/82/21/89/370822189.db2.gz PJKHVAULMBLDOC-LBPRGKRZSA-N 0 3 293.367 1.702 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272655254 367787165 /nfs/dbraw/zinc/78/71/65/367787165.db2.gz GGZZMMMJIQZWCN-SECBINFHSA-N 0 3 279.300 1.206 20 5 CDBDHN CCN1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420585930 244265355 /nfs/dbraw/zinc/26/53/55/244265355.db2.gz NTFQMJRKEQVFJK-UHFFFAOYSA-N 0 3 292.339 1.590 20 5 CDBDHN CN(C)[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000170863486 369978615 /nfs/dbraw/zinc/97/86/15/369978615.db2.gz ZXEHUPDTAAHANE-SBDDDAINSA-N 0 3 289.335 1.771 20 5 CDBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CCC1 ZINC000331745354 204115504 /nfs/dbraw/zinc/11/55/04/204115504.db2.gz CHTUJTLHHVOROE-UHFFFAOYSA-N 0 3 266.301 1.137 20 5 CDBDHN Cc1nn(C)c(N(C)C[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000301304551 373504887 /nfs/dbraw/zinc/50/48/87/373504887.db2.gz SZYHFSCQVPBFGM-NSHDSACASA-N 0 3 281.360 1.415 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274014523 374068889 /nfs/dbraw/zinc/06/88/89/374068889.db2.gz VJBTVFZJERLWKW-KCJUWKMLSA-N 0 3 263.301 1.279 20 5 CDBDHN CSCC[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000130962912 374276461 /nfs/dbraw/zinc/27/64/61/374276461.db2.gz WRCIPZFWNQRAGJ-JOYOIKCWSA-N 0 3 297.380 1.852 20 5 CDBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC1 ZINC000112983665 374236573 /nfs/dbraw/zinc/23/65/73/374236573.db2.gz YXNMGKSULLPVMO-UHFFFAOYSA-N 0 3 277.324 1.926 20 5 CDBDHN CCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117803678 374596454 /nfs/dbraw/zinc/59/64/54/374596454.db2.gz QJCFNYJKMLGCHC-UHFFFAOYSA-N 0 3 299.758 1.859 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2N)cc1[N+](=O)[O-] ZINC000424134063 246348890 /nfs/dbraw/zinc/34/88/90/246348890.db2.gz AKSAWBGQZFHHHI-GDPRMGEGSA-N 0 3 263.297 1.428 20 5 CDBDHN C[C@@H]1CN(C)[C@@H](C)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000330567009 374865690 /nfs/dbraw/zinc/86/56/90/374865690.db2.gz BAPGQVPUUVQNPN-QWHCGFSZSA-N 0 3 293.367 1.998 20 5 CDBDHN CCN(CC)CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000049094207 375401871 /nfs/dbraw/zinc/40/18/71/375401871.db2.gz VXCJJZGKNUIPTO-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN CC(COC(=O)CCNC(=O)/C=C\c1ccco1)[N+](=O)[O-] ZINC000493294462 375437463 /nfs/dbraw/zinc/43/74/63/375437463.db2.gz NCMXHYIEYFTDLM-LWTINBJPSA-N 0 3 296.279 1.008 20 5 CDBDHN C[C@H](NC[C@@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150278 375559459 /nfs/dbraw/zinc/55/94/59/375559459.db2.gz TWQHZTYIROBAAP-GXFFZTMASA-N 0 3 267.329 1.168 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CC[C@H](COC(F)F)C2)n1 ZINC000353024827 375565723 /nfs/dbraw/zinc/56/57/23/375565723.db2.gz QFNGOMHMLKTKOX-VIFPVBQESA-N 0 3 290.270 1.352 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCN1CCC1 ZINC000344850404 375597469 /nfs/dbraw/zinc/59/74/69/375597469.db2.gz TYPWFEBNASZUOP-ZZXKWVIFSA-N 0 3 261.325 1.903 20 5 CDBDHN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])C(N)=O ZINC000164572753 375920356 /nfs/dbraw/zinc/92/03/56/375920356.db2.gz YAXYNSOHYHHKOT-VHSXEESVSA-N 0 3 265.313 1.379 20 5 CDBDHN COCCN(C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171099044 376121170 /nfs/dbraw/zinc/12/11/70/376121170.db2.gz ZTBWHWHSFONEGF-UHFFFAOYSA-N 0 3 296.327 1.295 20 5 CDBDHN O=C(NC[C@@H]1CCCCN1C1CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000347385062 376072014 /nfs/dbraw/zinc/07/20/14/376072014.db2.gz ZMFNBVAGOMOXBK-NSHDSACASA-N 0 3 292.339 1.670 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000171451047 376625778 /nfs/dbraw/zinc/62/57/78/376625778.db2.gz GPVCSFZJFCUAIW-CQSZACIVSA-N 0 3 289.335 1.905 20 5 CDBDHN COCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174859184 379592726 /nfs/dbraw/zinc/59/27/26/379592726.db2.gz MJYXKOMEVIPPEO-UHFFFAOYSA-N 0 3 268.317 1.150 20 5 CDBDHN CN(C)C/C=C\C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000492305209 253193868 /nfs/dbraw/zinc/19/38/68/253193868.db2.gz URNFPRZHMIGMSS-DAXSKMNVSA-N 0 3 277.324 1.371 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@@H](O)CN2CCCCC2)c(F)c1 ZINC000413054765 285180141 /nfs/dbraw/zinc/18/01/41/285180141.db2.gz OQJRDNNPLXYKEU-LLVKDONJSA-N 0 3 298.318 1.388 20 5 CDBDHN COC(=O)CC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000288500940 197096196 /nfs/dbraw/zinc/09/61/96/197096196.db2.gz DVWQTSJCBACOSD-SECBINFHSA-N 0 3 295.295 1.122 20 5 CDBDHN C[C@H]1CNCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000261877957 390491528 /nfs/dbraw/zinc/49/15/28/390491528.db2.gz TWGWXMYIXGRGLH-ZETCQYMHSA-N 0 3 256.693 1.441 20 5 CDBDHN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NCCF ZINC000449305454 390865079 /nfs/dbraw/zinc/86/50/79/390865079.db2.gz GNBKEWZDFLITAO-WDEREUQCSA-N 0 3 297.330 1.590 20 5 CDBDHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000266783421 391336576 /nfs/dbraw/zinc/33/65/76/391336576.db2.gz NSAFGNBWBOSOPH-IINYFYTJSA-N 0 3 290.323 1.713 20 5 CDBDHN CC(C)N1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000457111666 391405898 /nfs/dbraw/zinc/40/58/98/391405898.db2.gz ITGFPUHPALVKKP-NSHDSACASA-N 0 3 294.355 1.488 20 5 CDBDHN COC[C@H](CCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268971403 391474251 /nfs/dbraw/zinc/47/42/51/391474251.db2.gz AOYNVQYNULMJNG-RYUDHWBXSA-N 0 3 282.340 1.951 20 5 CDBDHN C[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000190812590 130150079 /nfs/dbraw/zinc/15/00/79/130150079.db2.gz DGPJPATXKGYXKS-WDEREUQCSA-N 0 3 268.313 1.158 20 5 CDBDHN COc1ccc(CN(C[C@@H](O)CO)C(C)C)cc1[N+](=O)[O-] ZINC000421004811 392925962 /nfs/dbraw/zinc/92/59/62/392925962.db2.gz UJFBLBLDXWRIED-GFCCVEGCSA-N 0 3 298.339 1.167 20 5 CDBDHN CO[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000282062254 393170785 /nfs/dbraw/zinc/17/07/85/393170785.db2.gz BPHPCXUHTVOAAM-DGCLKSJQSA-N 0 3 295.339 1.256 20 5 CDBDHN COc1cc(F)cc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000449197826 393131496 /nfs/dbraw/zinc/13/14/96/393131496.db2.gz YAZNHVDPCXGTRU-UHFFFAOYSA-N 0 3 294.286 1.729 20 5 CDBDHN C[C@H]1OCC[C@]1(C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494226632 393229016 /nfs/dbraw/zinc/22/90/16/393229016.db2.gz IYYHUANPBZBGKZ-YGRLFVJLSA-N 0 3 293.323 1.690 20 5 CDBDHN COc1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000292636219 533672459 /nfs/dbraw/zinc/67/24/59/533672459.db2.gz JYTBYIAQYDHDBA-NEPJUHHUSA-N 0 3 296.323 1.233 20 5 CDBDHN COc1cc(N2CCN[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000227856412 140188137 /nfs/dbraw/zinc/18/81/37/140188137.db2.gz XSYNOWAJCFZTNO-MRVPVSSYSA-N 0 3 269.276 1.541 20 5 CDBDHN CCc1ccc(C(=O)N[C@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000346134962 153065659 /nfs/dbraw/zinc/06/56/59/153065659.db2.gz KQQGZUYCNCEGHX-SNVBAGLBSA-N 0 3 279.340 1.837 20 5 CDBDHN COc1cc(C(=O)N[C@H](C)CN(C)C)cc([N+](=O)[O-])c1C ZINC000346161872 153078771 /nfs/dbraw/zinc/07/87/71/153078771.db2.gz NGBRCIYPMVOUDM-SECBINFHSA-N 0 3 295.339 1.592 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000346223598 153102856 /nfs/dbraw/zinc/10/28/56/153102856.db2.gz MPFQMDKDBWOJIG-UWVGGRQHSA-N 0 3 297.330 1.904 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)C(C)C ZINC000362183571 159093102 /nfs/dbraw/zinc/09/31/02/159093102.db2.gz SKYBCJQPSMFEIC-NSHDSACASA-N 0 3 295.339 1.448 20 5 CDBDHN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000040676162 174373871 /nfs/dbraw/zinc/37/38/71/174373871.db2.gz MGSGNDHNLKJWNA-SNVBAGLBSA-N 0 3 265.313 1.204 20 5 CDBDHN CC[C@@H]1CN(C)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823195347 782038655 /nfs/dbraw/zinc/03/86/55/782038655.db2.gz VKMXOTLXJPMMSP-UKRRQHHQSA-N 0 3 293.367 1.654 20 5 CDBDHN COc1cc(CNCCCCO)c([N+](=O)[O-])cc1OC ZINC000193254512 270304233 /nfs/dbraw/zinc/30/42/33/270304233.db2.gz YDYUIFYDMXDDNZ-UHFFFAOYSA-N 0 3 284.312 1.474 20 5 CDBDHN CN(C)C/C=C\C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000491627350 273790204 /nfs/dbraw/zinc/79/02/04/273790204.db2.gz DKKYJNSBVQFUMH-ARJAWSKDSA-N 0 3 275.308 1.602 20 5 CDBDHN CN(C)C1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000273385701 273792810 /nfs/dbraw/zinc/79/28/10/273792810.db2.gz ZJLILUYVMRZITM-UHFFFAOYSA-N 0 3 255.705 1.998 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(N[C@H](C)CN(C)C)c1 ZINC000168969672 274118829 /nfs/dbraw/zinc/11/88/29/274118829.db2.gz QNJCIFYWPMIASX-SECBINFHSA-N 0 3 253.302 1.965 20 5 CDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000286246841 274438851 /nfs/dbraw/zinc/43/88/51/274438851.db2.gz BZZZGXPNLIKEGM-ZYHUDNBSSA-N 0 3 277.328 1.448 20 5 CDBDHN CC(C)c1n[nH]c(C(=O)N2CC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000269328290 278000675 /nfs/dbraw/zinc/00/06/75/278000675.db2.gz DRWIVNIWJOPSMV-VIFPVBQESA-N 0 3 295.343 1.217 20 5 CDBDHN CCN(CC)CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000193847936 280013648 /nfs/dbraw/zinc/01/36/48/280013648.db2.gz AVUWIPOIRCBWEG-UHFFFAOYSA-N 0 3 279.340 1.895 20 5 CDBDHN C[C@@H](O)CN(CCOc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000248928269 280395377 /nfs/dbraw/zinc/39/53/77/280395377.db2.gz LZVGYMHCGZMLRI-VXGBXAGGSA-N 0 3 298.339 1.037 20 5 CDBDHN CCOCC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000520799539 281052084 /nfs/dbraw/zinc/05/20/84/281052084.db2.gz MVCPEZIXMUTHIU-CYBMUJFWSA-N 0 3 282.340 1.780 20 5 CDBDHN COCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000552083444 290048997 /nfs/dbraw/zinc/04/89/97/290048997.db2.gz FFHUPHVATWTVFO-UHFFFAOYSA-N 0 3 280.324 1.880 20 5 CDBDHN CC(C)NCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000564349189 293348176 /nfs/dbraw/zinc/34/81/76/293348176.db2.gz KKOAGRVEOUWIAS-UHFFFAOYSA-N 0 3 280.328 1.121 20 5 CDBDHN N[C@@H]1C[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568396440 294028562 /nfs/dbraw/zinc/02/85/62/294028562.db2.gz IQQUHGHYZGGABH-QWHCGFSZSA-N 0 3 275.308 1.433 20 5 CDBDHN CN1CC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC000571144831 294375481 /nfs/dbraw/zinc/37/54/81/294375481.db2.gz AJDGMMFGNZWLJU-CYBMUJFWSA-N 0 3 280.303 1.661 20 5 CDBDHN COCC[C@@](C)(O)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563820009 316377608 /nfs/dbraw/zinc/37/76/08/316377608.db2.gz AXMYOCLWHXKVBV-DZGCQCFKSA-N 0 3 294.351 1.959 20 5 CDBDHN COC[C@](C)(O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000382579788 323648878 /nfs/dbraw/zinc/64/88/78/323648878.db2.gz XGBOCNNWLOYVFO-GXFFZTMASA-N 0 3 268.313 1.643 20 5 CDBDHN CC1(C)[C@H](O)C[C@H]1NCCOc1ccccc1[N+](=O)[O-] ZINC000581318965 324712835 /nfs/dbraw/zinc/71/28/35/324712835.db2.gz NELNLJKSECHICV-CHWSQXEVSA-N 0 3 280.324 1.723 20 5 CDBDHN CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCCC1 ZINC000339879895 521792765 /nfs/dbraw/zinc/79/27/65/521792765.db2.gz OQTSIRUZFGBLSW-UHFFFAOYSA-N 0 3 292.339 1.462 20 5 CDBDHN COc1ccc(OCCN2C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000340934664 524956157 /nfs/dbraw/zinc/95/61/57/524956157.db2.gz WPRPKBAFPXTJNQ-QWRGUYRKSA-N 0 3 296.323 1.437 20 5 CDBDHN O=[N+]([O-])c1c(NC[C@H]2CNCCO2)ccc2ncccc21 ZINC000157410133 527322090 /nfs/dbraw/zinc/32/20/90/527322090.db2.gz BNVWWQCOIRSCGN-SNVBAGLBSA-N 0 3 288.307 1.543 20 5 CDBDHN CN(C)C[C@@H](O)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000771069160 575543262 /nfs/dbraw/zinc/54/32/62/575543262.db2.gz YTZZHRKPZALWGB-JTQLQIEISA-N 0 3 290.323 1.477 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cccnc2)c1 ZINC000749644974 576956743 /nfs/dbraw/zinc/95/67/43/576956743.db2.gz GHYDQXBHDZYGRJ-CQSZACIVSA-N 0 3 273.292 1.813 20 5 CDBDHN COc1c(O)ccc(CN[C@]2(C)CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000893522535 618025349 /nfs/dbraw/zinc/02/53/49/618025349.db2.gz UWHOKIUDAUEHEH-YMTOWFKASA-N 0 3 296.323 1.966 20 5 CDBDHN COc1ccc(OC)c(CCNCC[N+](=O)[O-])c1 ZINC000899873856 622499441 /nfs/dbraw/zinc/49/94/41/622499441.db2.gz VXZPTFYYFLHLTE-UHFFFAOYSA-N 0 3 254.286 1.113 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCN1C ZINC000903314838 625970103 /nfs/dbraw/zinc/97/01/03/625970103.db2.gz CDQYXYYWWGFDFM-CMPLNLGQSA-N 0 3 279.340 1.958 20 5 CDBDHN O=[N+]([O-])CCNCCc1cnn(-c2ccccc2)c1 ZINC000905031047 626391946 /nfs/dbraw/zinc/39/19/46/626391946.db2.gz KMRIHLSIWFLPQM-UHFFFAOYSA-N 0 3 260.297 1.281 20 5 CDBDHN CC(C)(CNCC[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000905074309 626617525 /nfs/dbraw/zinc/61/75/25/626617525.db2.gz GKLGWTBWHYHUCR-UHFFFAOYSA-N 0 3 280.324 1.602 20 5 CDBDHN COC[C@H](CNCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000905274486 626729995 /nfs/dbraw/zinc/72/99/95/626729995.db2.gz SZWBQBSYSCFLTE-NSHDSACASA-N 0 3 272.732 1.936 20 5 CDBDHN CC1(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001131475248 1162920289 /nfs/dbraw/zinc/92/02/89/1162920289.db2.gz ILOJMBFMUOSCIP-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN CCOc1cnc(N[C@@H](C)[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC001170564264 1162927885 /nfs/dbraw/zinc/92/78/85/1162927885.db2.gz OTQWSQWJIJHLSP-CABZTGNLSA-N 0 3 296.327 1.177 20 5 CDBDHN C[C@@H](Nc1ccc2c([N+](=O)[O-])c[nH]c2n1)[C@@H]1CNCCO1 ZINC001170565316 1162930490 /nfs/dbraw/zinc/93/04/90/1162930490.db2.gz UVZQJDBXVBRIBE-KCJUWKMLSA-N 0 3 291.311 1.260 20 5 CDBDHN C[C@@H](Nc1cccc2ncc([N+](=O)[O-])n21)[C@@H]1CNCCO1 ZINC001170577079 1162995738 /nfs/dbraw/zinc/99/57/38/1162995738.db2.gz XZAHMOMYTYWQHT-ZJUUUORDSA-N 0 3 291.311 1.031 20 5 CDBDHN Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CNCc2ccsc21 ZINC001155565929 1167233459 /nfs/dbraw/zinc/23/34/59/1167233459.db2.gz VSHPTEOQMZVTCJ-SNVBAGLBSA-N 0 3 291.336 1.890 20 5 CDBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000401338582 1186411160 /nfs/dbraw/zinc/41/11/60/1186411160.db2.gz QLZYEHADPKIJOI-VGMNWLOBSA-N 0 3 266.301 1.134 20 5 CDBDHN CC(COC(=O)c1cccc2c1O[C@@H](C)C(=O)N2)[N+](=O)[O-] ZINC000813109029 1163815304 /nfs/dbraw/zinc/81/53/04/1163815304.db2.gz DMSYENBAUFXDLD-YUMQZZPRSA-N 0 3 294.263 1.228 20 5 CDBDHN CC(COC(=O)c1cnn(C)c1-c1ccccc1)[N+](=O)[O-] ZINC000813109887 1163816719 /nfs/dbraw/zinc/81/67/19/1163816719.db2.gz XGBAFXDDWQYTAR-SNVBAGLBSA-N 0 3 289.291 1.909 20 5 CDBDHN Cc1nc(C(=O)OCC(C)[N+](=O)[O-])c2ccccn12 ZINC000813115345 1163818145 /nfs/dbraw/zinc/81/81/45/1163818145.db2.gz PQUPJHGUNSBMAB-QMMMGPOBSA-N 0 3 263.253 1.465 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@](C)(O)C1 ZINC001173221424 912307344 /nfs/dbraw/zinc/30/73/44/912307344.db2.gz IHOZSAHFMDOSII-IUODEOHRSA-N 0 3 294.351 1.609 20 5 CDBDHN CCOC(=O)c1ccc(N[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC001167278381 895028453 /nfs/dbraw/zinc/02/84/53/895028453.db2.gz HPFBOKIWXQWNAC-NSHDSACASA-N 0 3 293.323 1.888 20 5 CDBDHN CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021744526 895734091 /nfs/dbraw/zinc/73/40/91/895734091.db2.gz XZTUDKTWAKMMBL-TXEJJXNPSA-N 0 3 277.324 1.742 20 5 CDBDHN O=[N+]([O-])c1ccc(-c2noc(C[C@@H]3CNCCO3)n2)s1 ZINC000843219073 921282107 /nfs/dbraw/zinc/28/21/07/921282107.db2.gz SJZKNMKPJZYMOA-SSDOTTSWSA-N 0 3 296.308 1.237 20 5 CDBDHN COCCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275118 926537971 /nfs/dbraw/zinc/53/79/71/926537971.db2.gz GIBXWRFUOPNVLT-GFCCVEGCSA-N 0 3 254.286 1.206 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCOCC23CCC3)C1 ZINC001169033931 927640332 /nfs/dbraw/zinc/64/03/32/927640332.db2.gz DUHNDWNNMUHZBA-RYUDHWBXSA-N 0 3 254.330 1.687 20 5 CDBDHN CNc1cc([N+](=O)[O-])cnc1-n1ccc([C@H](C)N)n1 ZINC001169229166 927831341 /nfs/dbraw/zinc/83/13/41/927831341.db2.gz FYQAFYNKNHIFCW-ZETCQYMHSA-N 0 3 262.273 1.237 20 5 CDBDHN C[NH+](C)C[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853244012 927989264 /nfs/dbraw/zinc/98/92/64/927989264.db2.gz AQGNGIKPNHLUMV-JTQLQIEISA-N 0 3 280.328 1.473 20 5 CDBDHN NCc1ccc2c(n1)N(c1ncc([N+](=O)[O-])cn1)CCC2 ZINC001169584752 928236109 /nfs/dbraw/zinc/23/61/09/928236109.db2.gz QWUDWAHGORZJJG-UHFFFAOYSA-N 0 3 286.295 1.323 20 5 CDBDHN CN(CCO)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000884825061 930638822 /nfs/dbraw/zinc/63/88/22/930638822.db2.gz CMVGXCULUHOILM-UHFFFAOYSA-N 0 3 273.720 1.584 20 5 CDBDHN CC(C)[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CCN1C ZINC000886310478 930855652 /nfs/dbraw/zinc/85/56/52/930855652.db2.gz MAXWHQFVVZSODK-CYBMUJFWSA-N 0 3 278.356 1.762 20 5 CDBDHN CCN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000796316664 935022623 /nfs/dbraw/zinc/02/26/23/935022623.db2.gz NUNIAIPEVZWOBU-WFASDCNBSA-N 0 3 293.367 1.654 20 5 CDBDHN COC1CCN(CCNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800857524 935942816 /nfs/dbraw/zinc/94/28/16/935942816.db2.gz VXAKGGHHYMZBRS-UHFFFAOYSA-N 0 3 294.355 1.700 20 5 CDBDHN CC(F)(F)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001122517272 937939105 /nfs/dbraw/zinc/93/91/05/937939105.db2.gz ULQRQTSSMJYZKY-UHFFFAOYSA-N 0 3 287.266 1.456 20 5 CDBDHN CN1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001157272552 938473475 /nfs/dbraw/zinc/47/34/75/938473475.db2.gz OHBYWCWWRKCWSM-CABZTGNLSA-N 0 3 277.328 1.102 20 5 CDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)CCN1CCCC1 ZINC001165140061 939516001 /nfs/dbraw/zinc/51/60/01/939516001.db2.gz GNWBBTNXIVQVHG-UHFFFAOYSA-N 0 3 280.328 1.069 20 5 CDBDHN CC[NH+](CC)C[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693142 942205127 /nfs/dbraw/zinc/20/51/27/942205127.db2.gz MEZPYAMTDJOKAA-SECBINFHSA-N 0 3 293.327 1.975 20 5 CDBDHN Cc1nccc([N+](=O)[O-])c1OC1CCN(C)CC1 ZINC001234903650 943969585 /nfs/dbraw/zinc/96/95/85/943969585.db2.gz POCDHMUUHPIMFK-UHFFFAOYSA-N 0 3 251.286 1.771 20 5 CDBDHN CC[C@](N)(CO)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539004 947516789 /nfs/dbraw/zinc/51/67/89/947516789.db2.gz AILKIIQGUTYNCT-ZWNOBZJWSA-N 0 3 267.329 1.173 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CN(C)CC1(C)C ZINC001303990413 956146908 /nfs/dbraw/zinc/14/69/08/956146908.db2.gz XUIYXLFGYJPLNO-ZDUSSCGKSA-N 0 3 291.351 1.973 20 5 CDBDHN Cc1n[nH]cc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001308247765 956500038 /nfs/dbraw/zinc/50/00/38/956500038.db2.gz ZVQYQJPXHCEKGB-UHFFFAOYSA-N 0 3 276.296 1.795 20 5 CDBDHN CN1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001337483345 961226111 /nfs/dbraw/zinc/22/61/11/961226111.db2.gz YWYNUPPKXIYINA-ZDUSSCGKSA-N 0 3 277.324 1.809 20 5 CDBDHN CC(C)[C@@H]1C[C@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC001346123738 964947975 /nfs/dbraw/zinc/94/79/75/964947975.db2.gz OYZGLTNZARDABI-MXWKQRLJSA-N 0 3 259.302 1.646 20 5 CDBDHN Cc1n[nH]c(C(=O)N2CCCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000609175380 342092960 /nfs/dbraw/zinc/09/29/60/342092960.db2.gz SCQOYHJQYHDMEP-SNVBAGLBSA-N 0 3 295.343 1.183 20 5 CDBDHN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CN(C)C)c1[N+](=O)[O-] ZINC000609175380 342092961 /nfs/dbraw/zinc/09/29/61/342092961.db2.gz SCQOYHJQYHDMEP-SNVBAGLBSA-N 0 3 295.343 1.183 20 5 CDBDHN CN(C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000591149521 342618625 /nfs/dbraw/zinc/61/86/25/342618625.db2.gz BEUFYRDTNMBIHQ-SECBINFHSA-N 0 3 268.292 1.659 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCN1 ZINC000592241757 342680765 /nfs/dbraw/zinc/68/07/65/342680765.db2.gz HBENVKKAKFCVGL-SNVBAGLBSA-N 0 3 283.353 1.726 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCCCC[C@H]2CO)c1 ZINC000594016813 342865990 /nfs/dbraw/zinc/86/59/90/342865990.db2.gz IXCXSSCCPCIDTF-NSHDSACASA-N 0 3 268.317 1.028 20 5 CDBDHN C[C@H]1CSC[C@@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000352798876 539114004 /nfs/dbraw/zinc/11/40/04/539114004.db2.gz DTJBZJREJKCYPG-KWQFWETISA-N 0 3 295.364 1.535 20 5 CDBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594964878 342990577 /nfs/dbraw/zinc/99/05/77/342990577.db2.gz BVVPXCJEIBKRSE-SNVBAGLBSA-N 0 3 250.298 1.845 20 5 CDBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594964877 342990693 /nfs/dbraw/zinc/99/06/93/342990693.db2.gz BVVPXCJEIBKRSE-JTQLQIEISA-N 0 3 250.298 1.845 20 5 CDBDHN COc1ccc(CN[C@@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594969869 342991936 /nfs/dbraw/zinc/99/19/36/342991936.db2.gz RMDFLYVNZLOHIE-JTQLQIEISA-N 0 3 280.324 1.854 20 5 CDBDHN COc1ccc(CN[C@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000594969870 342992065 /nfs/dbraw/zinc/99/20/65/342992065.db2.gz RMDFLYVNZLOHIE-SNVBAGLBSA-N 0 3 280.324 1.854 20 5 CDBDHN Cc1ccncc1[C@H](C)NCCn1ccc([N+](=O)[O-])n1 ZINC000611940335 346911124 /nfs/dbraw/zinc/91/11/24/346911124.db2.gz XTXHVRPXSHOAEP-NSHDSACASA-N 0 3 275.312 1.846 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CC[C@@H](C1)N2C ZINC000075061350 342307469 /nfs/dbraw/zinc/30/74/69/342307469.db2.gz FXAWAHDZFKXBGA-NEPJUHHUSA-N 0 3 276.340 1.971 20 5 CDBDHN Cc1noc(CN2CC[C@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000595497470 343077718 /nfs/dbraw/zinc/07/77/18/343077718.db2.gz OITRUTALMNJLSK-NEPJUHHUSA-N 0 3 294.355 1.950 20 5 CDBDHN O=c1[n-]ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596076859 343226675 /nfs/dbraw/zinc/22/66/75/343226675.db2.gz QTEVZTYUYQSUBV-KOLCDFICSA-N 0 3 278.312 1.734 20 5 CDBDHN O=c1[n-]ccc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000596076859 343226677 /nfs/dbraw/zinc/22/66/77/343226677.db2.gz QTEVZTYUYQSUBV-KOLCDFICSA-N 0 3 278.312 1.734 20 5 CDBDHN C[N@@H+]1CCC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000596170204 343258706 /nfs/dbraw/zinc/25/87/06/343258706.db2.gz XYTXTHKKQFDEOK-GHMZBOCLSA-N 0 3 292.339 1.616 20 5 CDBDHN C[N@H+]1CCC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000596170204 343258707 /nfs/dbraw/zinc/25/87/07/343258707.db2.gz XYTXTHKKQFDEOK-GHMZBOCLSA-N 0 3 292.339 1.616 20 5 CDBDHN C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596231469 343261794 /nfs/dbraw/zinc/26/17/94/343261794.db2.gz JORQUIIQJDEENQ-QWRGUYRKSA-N 0 3 292.339 1.758 20 5 CDBDHN CCN1CCCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000596270202 343281411 /nfs/dbraw/zinc/28/14/11/343281411.db2.gz WDDDDDWUTWFPLQ-JTQLQIEISA-N 0 3 265.317 1.305 20 5 CDBDHN COC(=O)c1ccnc(NC[C@H](C)N(C)C)c1[N+](=O)[O-] ZINC000598587021 343835153 /nfs/dbraw/zinc/83/51/53/343835153.db2.gz LUBGRSRJSIUPEF-QMMMGPOBSA-N 0 3 282.300 1.138 20 5 CDBDHN COC(=O)c1ccnc(N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000598625424 343847698 /nfs/dbraw/zinc/84/76/98/343847698.db2.gz PYLOSDNVCPOLDP-QMMMGPOBSA-N 0 3 282.300 1.138 20 5 CDBDHN C[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCN1 ZINC000136179532 362315346 /nfs/dbraw/zinc/31/53/46/362315346.db2.gz KNKXUZIGDKBTEE-OAHLLOKOSA-N 0 3 291.351 1.786 20 5 CDBDHN COC[C@H](O)CCNCc1csc([N+](=O)[O-])c1 ZINC000231607071 362316653 /nfs/dbraw/zinc/31/66/53/362316653.db2.gz VMPZLZZTKKHJFP-SECBINFHSA-N 0 3 260.315 1.143 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C ZINC000293491993 362566263 /nfs/dbraw/zinc/56/62/63/362566263.db2.gz SUKGVWUBWSWTSP-BETUJISGSA-N 0 3 293.367 1.998 20 5 CDBDHN O=[N+]([O-])c1ccc(NCCN2CCC(O)CC2)cc1 ZINC000140196561 345576389 /nfs/dbraw/zinc/57/63/89/345576389.db2.gz CTCKEDCWBQDUQA-UHFFFAOYSA-N 0 3 265.313 1.463 20 5 CDBDHN C[C@@H](C(=O)NCCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000617690000 345913224 /nfs/dbraw/zinc/91/32/24/345913224.db2.gz FXLVYAZLJCEBIX-GFCCVEGCSA-N 0 3 291.351 1.910 20 5 CDBDHN C[C@@](CO)(NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610447862 346283842 /nfs/dbraw/zinc/28/38/42/346283842.db2.gz KUSLJYOZZMAZTF-AWEZNQCLSA-N 0 3 290.323 1.289 20 5 CDBDHN CCN1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611091914 346604920 /nfs/dbraw/zinc/60/49/20/346604920.db2.gz COJCQJBOACNXGQ-ZDUSSCGKSA-N 0 3 293.367 2.000 20 5 CDBDHN CC[C@H](CO)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632774 362789461 /nfs/dbraw/zinc/78/94/61/362789461.db2.gz HQMKUTJDGCHDIJ-PSASIEDQSA-N 0 3 253.302 1.599 20 5 CDBDHN O=C(CCN1CC[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128516488 187375041 /nfs/dbraw/zinc/37/50/41/187375041.db2.gz MJQGRDHOXUCJSB-JTQLQIEISA-N 0 3 297.286 1.129 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000066958793 347547277 /nfs/dbraw/zinc/54/72/77/347547277.db2.gz LMEXOBOJRAHVPE-UHFFFAOYSA-N 0 3 297.380 1.998 20 5 CDBDHN Cc1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000086467272 179297007 /nfs/dbraw/zinc/29/70/07/179297007.db2.gz SAHGLKALOOKZTP-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN COc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000086467869 179298569 /nfs/dbraw/zinc/29/85/69/179298569.db2.gz PQSMLUVVHGSMFN-UWVGGRQHSA-N 0 3 293.323 1.426 20 5 CDBDHN CCCc1n[nH]c(C(=O)N2CC[C@H](N(C)C)C2)c1[N+](=O)[O-] ZINC000109626581 186268463 /nfs/dbraw/zinc/26/84/63/186268463.db2.gz BQFPKHBYJUJPEG-VIFPVBQESA-N 0 3 295.343 1.047 20 5 CDBDHN COc1cc(CNC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1[O-] ZINC000291664713 198056528 /nfs/dbraw/zinc/05/65/28/198056528.db2.gz FMUUWIFFEABQIH-JTQLQIEISA-N 0 3 297.355 1.596 20 5 CDBDHN C[C@@H](CNC(=O)NCCc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000454355860 252344344 /nfs/dbraw/zinc/34/43/44/252344344.db2.gz GAZLYZGMONQWFA-NSHDSACASA-N 0 3 294.355 1.387 20 5 CDBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000292229434 198210040 /nfs/dbraw/zinc/21/00/40/198210040.db2.gz PLMITYXUUKURKA-SNVBAGLBSA-N 0 3 268.313 1.806 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000152413861 188016801 /nfs/dbraw/zinc/01/68/01/188016801.db2.gz HPHULVDBJNLFQH-ZJUUUORDSA-N 0 3 293.327 1.017 20 5 CDBDHN C[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCCN1 ZINC000272990617 192011261 /nfs/dbraw/zinc/01/12/61/192011261.db2.gz QDIYXOYZNAWTFA-OAHLLOKOSA-N 0 3 291.351 1.786 20 5 CDBDHN CCCN(CCN1CCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000286423513 356299428 /nfs/dbraw/zinc/29/94/28/356299428.db2.gz RGEJMRZHIMVEEM-UHFFFAOYSA-N 0 3 279.344 1.697 20 5 CDBDHN CCN(C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000358592582 356309510 /nfs/dbraw/zinc/30/95/10/356309510.db2.gz HWZIZPIKNMZMRS-UHFFFAOYSA-N 0 3 294.355 1.654 20 5 CDBDHN CC[C@H](N)c1cn(CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229939097 356321035 /nfs/dbraw/zinc/32/10/35/356321035.db2.gz VWGCDMUQQKOIKE-LBPRGKRZSA-N 0 3 275.312 1.839 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000097935883 356956367 /nfs/dbraw/zinc/95/63/67/356956367.db2.gz MUKGEHMLVWMBQU-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN CCC[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236946706 357474294 /nfs/dbraw/zinc/47/42/94/357474294.db2.gz VXLBYHBCRIYCJP-SNVBAGLBSA-N 0 3 280.328 1.250 20 5 CDBDHN CCC[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000236856896 357700480 /nfs/dbraw/zinc/70/04/80/357700480.db2.gz VXLBYHBCRIYCJP-JTQLQIEISA-N 0 3 280.328 1.250 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000287222868 358271593 /nfs/dbraw/zinc/27/15/93/358271593.db2.gz OUSSKDGUNKKJIT-VIFPVBQESA-N 0 3 281.312 1.283 20 5 CDBDHN COC(=O)COC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000295434762 358524196 /nfs/dbraw/zinc/52/41/96/358524196.db2.gz OXTIQJRZMVXENV-SNVBAGLBSA-N 0 3 282.296 1.263 20 5 CDBDHN C[C@@H](NC(=O)C1(N)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000147806877 358754761 /nfs/dbraw/zinc/75/47/61/358754761.db2.gz IWVUGYMRENNILX-SECBINFHSA-N 0 3 263.297 1.653 20 5 CDBDHN CC(C)[C@@H](CO)CNCc1cccc([N+](=O)[O-])c1 ZINC000342233378 358972638 /nfs/dbraw/zinc/97/26/38/358972638.db2.gz SJZNIPZCBMAPLF-GFCCVEGCSA-N 0 3 252.314 1.949 20 5 CDBDHN COCC[C@@H](NCc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000338349315 359121220 /nfs/dbraw/zinc/12/12/20/359121220.db2.gz BWSFNOSQOKRHTM-LLVKDONJSA-N 0 3 284.360 1.869 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@H](O)C2)c(F)c1 ZINC000336808362 359178474 /nfs/dbraw/zinc/17/84/74/359178474.db2.gz BROFZHQCBWSCOH-CABZTGNLSA-N 0 3 268.288 1.985 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@@]1(O)CCOC1 ZINC000339054036 359278389 /nfs/dbraw/zinc/27/83/89/359278389.db2.gz HRQKPZAIOYPALK-MFBWXBCUSA-N 0 3 278.308 1.349 20 5 CDBDHN C[C@H](NCCN1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173389795 237337702 /nfs/dbraw/zinc/33/77/02/237337702.db2.gz JZDVVIZPOOXGIL-STQMWFEESA-N 0 3 293.367 1.966 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177088635 189027876 /nfs/dbraw/zinc/02/78/76/189027876.db2.gz ZVICZJFWFCPEDX-ZYHUDNBSSA-N 0 3 289.335 1.950 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177088618 189027951 /nfs/dbraw/zinc/02/79/51/189027951.db2.gz ZVICZJFWFCPEDX-JQWIXIFHSA-N 0 3 289.335 1.950 20 5 CDBDHN CC(=O)N1CCC(NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350625393 360520695 /nfs/dbraw/zinc/52/06/95/360520695.db2.gz HEDQKJBXZJGTBH-UHFFFAOYSA-N 0 3 295.314 1.834 20 5 CDBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@H]1CCCOC1 ZINC000348150322 360525230 /nfs/dbraw/zinc/52/52/30/360525230.db2.gz XWDBCMMKRABMFE-UWVGGRQHSA-N 0 3 268.317 1.233 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000351813698 365001969 /nfs/dbraw/zinc/00/19/69/365001969.db2.gz HYOOUMFKVZYADL-ZWNOBZJWSA-N 0 3 266.297 1.286 20 5 CDBDHN COCCCN(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000275392234 193020104 /nfs/dbraw/zinc/02/01/04/193020104.db2.gz CQKWBYPUVGQYRO-UHFFFAOYSA-N 0 3 298.339 1.304 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H](C)O ZINC000386957684 367154428 /nfs/dbraw/zinc/15/44/28/367154428.db2.gz YFCOWLVMGDWOTH-IUCAKERBSA-N 0 3 254.286 1.462 20 5 CDBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])CCC(N)=O ZINC000348838491 368069175 /nfs/dbraw/zinc/06/91/75/368069175.db2.gz PMPCWAZITCJGJL-XQRVVYSFSA-N 0 3 263.297 1.415 20 5 CDBDHN CN(C[C@H]1CCCN1C)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420633509 244299551 /nfs/dbraw/zinc/29/95/51/244299551.db2.gz JIFJOUNSSBGTIM-SNVBAGLBSA-N 0 3 292.339 1.224 20 5 CDBDHN CN(C)[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170865499 369979431 /nfs/dbraw/zinc/97/94/31/369979431.db2.gz OEMRZMHWTPYCIJ-SECBINFHSA-N 0 3 269.326 1.432 20 5 CDBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000421921662 244897020 /nfs/dbraw/zinc/89/70/20/244897020.db2.gz ZJSQKCTXVSIPGP-NSHDSACASA-N 0 3 279.340 1.892 20 5 CDBDHN C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269624429 373192833 /nfs/dbraw/zinc/19/28/33/373192833.db2.gz CGRJCBOOAKEBSG-ZWNOBZJWSA-N 0 3 250.298 1.970 20 5 CDBDHN C[C@@H]1C[C@@H](CO)CN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000420952499 374307898 /nfs/dbraw/zinc/30/78/98/374307898.db2.gz XZJKGGLJQJYRMJ-CHWSQXEVSA-N 0 3 294.351 1.924 20 5 CDBDHN CN1CC[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000368588238 374319774 /nfs/dbraw/zinc/31/97/74/374319774.db2.gz DFFRFEJGVBLZHP-GXFFZTMASA-N 0 3 290.323 1.156 20 5 CDBDHN CC[C@@H](NC[C@H]1CNCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000423480669 374386231 /nfs/dbraw/zinc/38/62/31/374386231.db2.gz PMKACEYROOLHFQ-HUUCEWRRSA-N 0 3 292.383 1.539 20 5 CDBDHN COCCOC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296221390 374679791 /nfs/dbraw/zinc/67/97/91/374679791.db2.gz GUJDDVQNBDLYEQ-SMDDNHRTSA-N 0 3 298.339 1.269 20 5 CDBDHN CCOC[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282529875 375093062 /nfs/dbraw/zinc/09/30/62/375093062.db2.gz UWJGYULBKFNCLC-CQSZACIVSA-N 0 3 282.340 1.467 20 5 CDBDHN COc1ccc(OCCN(C)C2CC(O)C2)c([N+](=O)[O-])c1 ZINC000353486034 375615619 /nfs/dbraw/zinc/61/56/19/375615619.db2.gz WHDWEUZCHWXBNG-UHFFFAOYSA-N 0 3 296.323 1.437 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000354584680 375727589 /nfs/dbraw/zinc/72/75/89/375727589.db2.gz ZDDFJAYYWYSRDJ-LLVKDONJSA-N 0 3 293.367 1.939 20 5 CDBDHN Cc1nn(C)c(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000133523000 375793999 /nfs/dbraw/zinc/79/39/99/375793999.db2.gz FHMOIKYRYZGUHR-PSASIEDQSA-N 0 3 279.344 1.674 20 5 CDBDHN CN1CC[C@@](O)(CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358138504 375952902 /nfs/dbraw/zinc/95/29/02/375952902.db2.gz MZOIXOKNNKYUJP-CYBMUJFWSA-N 0 3 299.758 1.404 20 5 CDBDHN C[C@H](NC[C@@H](O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358048706 375948759 /nfs/dbraw/zinc/94/87/59/375948759.db2.gz PWRMEUWVYSHYHR-VHRBIJSZSA-N 0 3 280.324 1.643 20 5 CDBDHN C[C@H](NC[C@H](O)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000358048704 375949008 /nfs/dbraw/zinc/94/90/08/375949008.db2.gz PWRMEUWVYSHYHR-JKOKRWQUSA-N 0 3 280.324 1.643 20 5 CDBDHN COc1cc([C@H](C)NCCn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347537310 376365723 /nfs/dbraw/zinc/36/57/23/376365723.db2.gz JXFUNMCEDDEJBY-JTQLQIEISA-N 0 3 291.311 1.546 20 5 CDBDHN O=C1CCC[C@H](CNC/C=C/c2ccccc2[N+](=O)[O-])N1 ZINC000433189853 248005477 /nfs/dbraw/zinc/00/54/77/248005477.db2.gz DZEMHLSFRZVQAM-DIECRNLCSA-N 0 3 289.335 1.866 20 5 CDBDHN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000357405706 377343310 /nfs/dbraw/zinc/34/33/10/377343310.db2.gz BQBTYOGGTUSEQK-ZJUUUORDSA-N 0 3 280.328 1.146 20 5 CDBDHN CN(C)Cc1cccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c1 ZINC000547754623 377819553 /nfs/dbraw/zinc/81/95/53/377819553.db2.gz HEDOEBSTQHKYSX-UHFFFAOYSA-N 0 3 289.295 1.632 20 5 CDBDHN O=[N+]([O-])c1cccc2ncnc(NCCN3CC=CCC3)c21 ZINC000357666602 378742159 /nfs/dbraw/zinc/74/21/59/378742159.db2.gz ZAXCANIRAKKQTL-UHFFFAOYSA-N 0 3 299.334 1.634 20 5 CDBDHN COC[C@H](O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278677846 194099696 /nfs/dbraw/zinc/09/96/96/194099696.db2.gz JOXVQTYBTLRREN-OCCSQVGLSA-N 0 3 280.324 1.569 20 5 CDBDHN COc1cc(CNCCC[C@H](C)O)c([N+](=O)[O-])cc1OC ZINC000278759534 194141468 /nfs/dbraw/zinc/14/14/68/194141468.db2.gz XDWCSSSRKYIKIK-JTQLQIEISA-N 0 3 298.339 1.863 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCN(C)CC1 ZINC000173898473 379336976 /nfs/dbraw/zinc/33/69/76/379336976.db2.gz RFAVTZHSPARWAV-UHFFFAOYSA-N 0 3 291.351 1.895 20 5 CDBDHN CN(C)C/C=C\C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000492868342 253314037 /nfs/dbraw/zinc/31/40/37/253314037.db2.gz YJXLCNJALYUUNO-YVMONPNESA-N 0 3 291.351 1.714 20 5 CDBDHN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000281402579 195225999 /nfs/dbraw/zinc/22/59/99/195225999.db2.gz NQKTWJMXHPWFDD-GFCCVEGCSA-N 0 3 268.317 1.292 20 5 CDBDHN CSC[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282567706 195648652 /nfs/dbraw/zinc/64/86/52/195648652.db2.gz ZFSPFYYOFIUGRE-ZDUSSCGKSA-N 0 3 284.381 1.793 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451479238 390625821 /nfs/dbraw/zinc/62/58/21/390625821.db2.gz MIJPZOGGYMARRD-MVWJERBFSA-N 0 3 294.355 1.622 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCSC[C@H]2C2CC2)n1 ZINC000451645284 390639008 /nfs/dbraw/zinc/63/90/08/390639008.db2.gz CHQRWNCVYWIHDP-NSHDSACASA-N 0 3 282.369 1.619 20 5 CDBDHN CN(C)CCOCCNc1ncc([N+](=O)[O-])cc1F ZINC000413235924 391183326 /nfs/dbraw/zinc/18/33/26/391183326.db2.gz WXNPDXRHHFDXIL-UHFFFAOYSA-N 0 3 272.280 1.119 20 5 CDBDHN CCN(C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000519834210 391225884 /nfs/dbraw/zinc/22/58/84/391225884.db2.gz IZICHZUEUWAZPW-SNVBAGLBSA-N 0 3 284.312 1.295 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@H](CO)C1 ZINC000191731092 130290765 /nfs/dbraw/zinc/29/07/65/130290765.db2.gz GHIKOVGPLZZBOO-YPMHNXCESA-N 0 3 264.325 1.963 20 5 CDBDHN C[C@@H]1CCN(C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000354086185 391913360 /nfs/dbraw/zinc/91/33/60/391913360.db2.gz NKFKTRJJLLQAQG-SNVBAGLBSA-N 0 3 250.302 1.520 20 5 CDBDHN C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)[C@H]1CO ZINC000248920973 131118963 /nfs/dbraw/zinc/11/89/63/131118963.db2.gz KSZBBIGRRKDHLI-GWCFXTLKSA-N 0 3 250.298 1.798 20 5 CDBDHN CCC[C@H](O)[C@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000419812893 392897471 /nfs/dbraw/zinc/89/74/71/392897471.db2.gz IJMQNAFAESFMSV-AAEUAGOBSA-N 0 3 298.339 1.215 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@](C)(C(N)=O)C1 ZINC000430246369 393095118 /nfs/dbraw/zinc/09/51/18/393095118.db2.gz ROMBWOPGDGXTRU-CQSZACIVSA-N 0 3 293.323 1.301 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2CCO)c1 ZINC000426212286 393039986 /nfs/dbraw/zinc/03/99/86/393039986.db2.gz YGMVWMKQXFANRA-LBPRGKRZSA-N 0 3 280.324 1.820 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)N(C)C ZINC000449282340 393131157 /nfs/dbraw/zinc/13/11/57/393131157.db2.gz GPJQTTBUEVIBTI-MNOVXSKESA-N 0 3 279.340 1.592 20 5 CDBDHN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000086468422 139659546 /nfs/dbraw/zinc/65/95/46/139659546.db2.gz QSOZXJRBMRYWFC-ZJUUUORDSA-N 0 3 278.312 1.809 20 5 CDBDHN Cc1cccc(NC[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC000235897795 140237750 /nfs/dbraw/zinc/23/77/50/140237750.db2.gz RTUWZURFTVXEQK-SNVBAGLBSA-N 0 3 251.286 1.304 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1(O)CCC1 ZINC000236839994 140246064 /nfs/dbraw/zinc/24/60/64/140246064.db2.gz JFGFPIXLVCNKQE-UHFFFAOYSA-N 0 3 280.324 1.998 20 5 CDBDHN C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N(C)C ZINC000299084197 397602238 /nfs/dbraw/zinc/60/22/38/397602238.db2.gz FWHUIJSXCVZZLN-SECBINFHSA-N 0 3 290.323 1.756 20 5 CDBDHN C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CCCN1C ZINC000343458069 152187911 /nfs/dbraw/zinc/18/79/11/152187911.db2.gz VWOYUIORVSVVFK-GXFFZTMASA-N 0 3 277.324 1.807 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000346131779 153064126 /nfs/dbraw/zinc/06/41/26/153064126.db2.gz HWMIKUACVOUVSZ-LLVKDONJSA-N 0 3 294.355 1.097 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@H](O)C(F)F ZINC000350092110 154325814 /nfs/dbraw/zinc/32/58/14/154325814.db2.gz FQDPKELWWZOATJ-JTQLQIEISA-N 0 3 260.240 1.619 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@@H]3CCOC3)CC2)n1 ZINC000371753686 160047315 /nfs/dbraw/zinc/04/73/15/160047315.db2.gz PSMVOOSDKSVMON-CYBMUJFWSA-N 0 3 294.355 1.540 20 5 CDBDHN CO[C@H](C)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373298830 160190449 /nfs/dbraw/zinc/19/04/49/160190449.db2.gz KYKFPGKLEGPTAD-SNVBAGLBSA-N 0 3 268.317 1.463 20 5 CDBDHN C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285358716 196259961 /nfs/dbraw/zinc/25/99/61/196259961.db2.gz VNLNWWJZTWPLQC-YBYGRFCBSA-N 0 3 297.380 1.739 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@H]2CCN(C3CC3)C2)cs1 ZINC000044687473 175232373 /nfs/dbraw/zinc/23/23/73/175232373.db2.gz PIBORFVATYGESD-JTQLQIEISA-N 0 3 267.354 1.983 20 5 CDBDHN COC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071268693 176102154 /nfs/dbraw/zinc/10/21/54/176102154.db2.gz AQPCFTVDEYHOHU-SKDRFNHKSA-N 0 3 254.286 1.253 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000070079123 260151195 /nfs/dbraw/zinc/15/11/95/260151195.db2.gz WKAIVEBDCJGETJ-SECBINFHSA-N 0 3 297.742 1.930 20 5 CDBDHN CCCNC(=O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000044351493 270227277 /nfs/dbraw/zinc/22/72/77/270227277.db2.gz ZRFFPSZPINFQSW-UHFFFAOYSA-N 0 3 265.313 1.601 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)CCN1C ZINC000525103791 270608101 /nfs/dbraw/zinc/60/81/01/270608101.db2.gz QXIMAYQOKBCRQL-NXEZZACHSA-N 0 3 280.328 1.146 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1CN1CCCC1 ZINC000066944938 275012758 /nfs/dbraw/zinc/01/27/58/275012758.db2.gz SPWAPCKTXNPXDJ-NSHDSACASA-N 0 3 293.323 1.888 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264572268 275012792 /nfs/dbraw/zinc/01/27/92/275012792.db2.gz SLVWRHKZODQCMS-LLVKDONJSA-N 0 3 293.323 1.888 20 5 CDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC000271281379 278157917 /nfs/dbraw/zinc/15/79/17/278157917.db2.gz CMWCDWJDISKRGE-VXGBXAGGSA-N 0 3 296.396 1.780 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCCN(C(C)(C)C)CC1 ZINC000049480230 279176473 /nfs/dbraw/zinc/17/64/73/279176473.db2.gz DFCYSVLZMUOAOV-UHFFFAOYSA-N 0 3 281.360 1.639 20 5 CDBDHN CC[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552108 279279263 /nfs/dbraw/zinc/27/92/63/279279263.db2.gz ULPOUZVRMIHGGA-NSHDSACASA-N 0 3 265.313 1.488 20 5 CDBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CCN1C ZINC000090794989 280013469 /nfs/dbraw/zinc/01/34/69/280013469.db2.gz WBVRYKBRKXHOMC-VHSXEESVSA-N 0 3 250.302 1.884 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000457220426 289077402 /nfs/dbraw/zinc/07/74/02/289077402.db2.gz LQDFZUKEWYKSOF-UHFFFAOYSA-N 0 3 295.339 1.430 20 5 CDBDHN CN1CC[C@@H]2CCN(c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000272190779 290160833 /nfs/dbraw/zinc/16/08/33/290160833.db2.gz MHOYBHZSEGEQHT-PWSUYJOCSA-N 0 3 262.313 1.520 20 5 CDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1c([N+](=O)[O-])ncn1C ZINC000568309881 294014532 /nfs/dbraw/zinc/01/45/32/294014532.db2.gz ZEJKOCPRSPOQPP-WDEREUQCSA-N 0 3 279.344 1.391 20 5 CDBDHN CC(=O)N1CC(N[C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000570862517 294324936 /nfs/dbraw/zinc/32/49/36/294324936.db2.gz HQPGZXHQZYZKBG-NSHDSACASA-N 0 3 291.351 1.736 20 5 CDBDHN CC(=O)N1CC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573741701 294879309 /nfs/dbraw/zinc/87/93/09/294879309.db2.gz KYQVJBGWGFDSKX-FZMZJTMJSA-N 0 3 289.335 1.793 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1[C@@H]1CCCOC1 ZINC000575745999 317006719 /nfs/dbraw/zinc/00/67/19/317006719.db2.gz QTDGRVXVMMAGCH-NEPJUHHUSA-N 0 3 294.355 1.719 20 5 CDBDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC[N+](=O)[O-])C1 ZINC000791054087 1162187289 /nfs/dbraw/zinc/18/72/89/1162187289.db2.gz XAXUOQYCKRBFSF-RYUDHWBXSA-N 0 3 271.361 1.280 20 5 CDBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC[N+](=O)[O-])C1 ZINC000791054090 1162187770 /nfs/dbraw/zinc/18/77/70/1162187770.db2.gz XAXUOQYCKRBFSF-VXGBXAGGSA-N 0 3 271.361 1.280 20 5 CDBDHN COCCN(C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000061375951 523611501 /nfs/dbraw/zinc/61/15/01/523611501.db2.gz KOMGKJMAQOEFOM-LBPRGKRZSA-N 0 3 281.356 1.824 20 5 CDBDHN COCCN(C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000061379792 523615969 /nfs/dbraw/zinc/61/59/69/523615969.db2.gz NOCPADYVSZOCTN-UHFFFAOYSA-N 0 3 267.329 1.893 20 5 CDBDHN COCCN(C)CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000061379595 523616871 /nfs/dbraw/zinc/61/68/71/523616871.db2.gz INEGODRJYQGNKA-UHFFFAOYSA-N 0 3 299.356 1.294 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000050708058 523814662 /nfs/dbraw/zinc/81/46/62/523814662.db2.gz OLGZGQISOSIYAH-JTQLQIEISA-N 0 3 292.339 1.249 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCN(C)C)c1 ZINC000299222786 526065335 /nfs/dbraw/zinc/06/53/35/526065335.db2.gz MUBOMGSVZDHOCV-UHFFFAOYSA-N 0 3 295.339 1.350 20 5 CDBDHN CC[C@](C)(NCCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000177126564 529370143 /nfs/dbraw/zinc/37/01/43/529370143.db2.gz IKYXCIGOPKGBHD-ZDUSSCGKSA-N 0 3 265.313 1.381 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccncc2)c1 ZINC000749643235 574539251 /nfs/dbraw/zinc/53/92/51/574539251.db2.gz AJCRDNMDYISGJK-CQSZACIVSA-N 0 3 273.292 1.813 20 5 CDBDHN COc1cc(CN[C@H](CO)C2CC2)c([N+](=O)[O-])cc1F ZINC000771813899 575617401 /nfs/dbraw/zinc/61/74/01/575617401.db2.gz QMKNGEYLBBJOFN-LLVKDONJSA-N 0 3 284.287 1.603 20 5 CDBDHN C[C@@H]1[C@@H](C)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1C ZINC000771463802 575581158 /nfs/dbraw/zinc/58/11/58/575581158.db2.gz ZKSZMMDTSCRQED-JMSVASOKSA-N 0 3 293.367 1.653 20 5 CDBDHN C[C@@H]1C[C@@H](O)CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104826 576549186 /nfs/dbraw/zinc/54/91/86/576549186.db2.gz IFVVLRBACUTQTN-WQAKAFBOSA-N 0 3 266.297 1.083 20 5 CDBDHN CCN1CCC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000891458750 617419546 /nfs/dbraw/zinc/41/95/46/617419546.db2.gz DNJVVUIWDKLTHI-SECBINFHSA-N 0 3 253.306 1.225 20 5 CDBDHN CC(COC(=O)c1csc(N2CCCCC2)n1)[N+](=O)[O-] ZINC000893046908 618097377 /nfs/dbraw/zinc/09/73/77/618097377.db2.gz HNCGFXPNKIPAEZ-SECBINFHSA-N 0 3 299.352 1.955 20 5 CDBDHN COc1cc([N+](=O)[O-])cnc1N(C)CCN1CCCCC1 ZINC000894406394 618865783 /nfs/dbraw/zinc/86/57/83/618865783.db2.gz LFNBTXPGXJULLO-UHFFFAOYSA-N 0 3 294.355 1.921 20 5 CDBDHN CCCN1CC[C@@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000894594043 618985818 /nfs/dbraw/zinc/98/58/18/618985818.db2.gz YCRPLBLCTKBSIP-SECBINFHSA-N 0 3 253.306 1.225 20 5 CDBDHN COc1ccc([C@@H](CNCC[N+](=O)[O-])N(C)C)cc1OC ZINC000899859450 622486510 /nfs/dbraw/zinc/48/65/10/622486510.db2.gz JQBJJSPSRWRBSN-GFCCVEGCSA-N 0 3 297.355 1.173 20 5 CDBDHN C[C@H](O)C[C@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000905158888 626641866 /nfs/dbraw/zinc/64/18/66/626641866.db2.gz LIVRKHFHZCACPU-WCQYABFASA-N 0 3 252.314 1.407 20 5 CDBDHN O=[N+]([O-])CCNCC1([C@H](O)c2ccccc2)CC1 ZINC000905366924 626785657 /nfs/dbraw/zinc/78/56/57/626785657.db2.gz QPQWCSBPOYQBLT-GFCCVEGCSA-N 0 3 250.298 1.367 20 5 CDBDHN C[C@H](N[C@@H]1COC[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905864796 627008535 /nfs/dbraw/zinc/00/85/35/627008535.db2.gz GGSIDADHJIZQTG-OUJBWJOFSA-N 0 3 293.323 1.546 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)CC(F)(F)F ZINC000307937029 1160232769 /nfs/dbraw/zinc/23/27/69/1160232769.db2.gz HIRGVWHBPUAYQV-VIFPVBQESA-N 0 3 278.230 1.998 20 5 CDBDHN CC(COC(=O)[C@@H](C)NC(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113198 1163816056 /nfs/dbraw/zinc/81/60/56/1163816056.db2.gz XUCGPQRRYAJZDS-VHSXEESVSA-N 0 3 280.280 1.013 20 5 CDBDHN CC(C)n1ncc2cc(C(=O)OCC(C)[N+](=O)[O-])cnc21 ZINC000813113331 1163816177 /nfs/dbraw/zinc/81/61/77/1163816177.db2.gz YNOWKXAXEFLYIB-VIFPVBQESA-N 0 3 292.295 1.834 20 5 CDBDHN Cc1c(CNC[C@@H](O)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000873062175 1165508599 /nfs/dbraw/zinc/50/85/99/1165508599.db2.gz ZAUSPZVYSCFZKV-CQSZACIVSA-N 0 3 290.323 1.460 20 5 CDBDHN Cc1cccc(OC(=O)OC2CNC2)c1[N+](=O)[O-] ZINC001579771643 1172256757 /nfs/dbraw/zinc/25/67/57/1172256757.db2.gz ICWNBIFSPJDOPZ-UHFFFAOYSA-N 0 3 252.226 1.390 20 5 CDBDHN CC(COC(=O)[C@@H](C)NC(=O)c1cccs1)[N+](=O)[O-] ZINC000813114924 1163817388 /nfs/dbraw/zinc/81/73/88/1163817388.db2.gz XVSZIGVKFKHANM-HTQZYQBOSA-N 0 3 286.309 1.075 20 5 CDBDHN CC(COC(=O)c1scc2c1OCCO2)[N+](=O)[O-] ZINC000847714851 784859229 /nfs/dbraw/zinc/85/92/29/784859229.db2.gz ZMESWWYFNZYOPE-LURJTMIESA-N 0 3 273.266 1.341 20 5 CDBDHN O=[N+]([O-])c1cnc(NC[C@H]2CN3CCC[C@@H]3CO2)c(F)c1 ZINC000840250982 786114008 /nfs/dbraw/zinc/11/40/08/786114008.db2.gz GCZSUQOPPOBWCU-KOLCDFICSA-N 0 3 296.302 1.404 20 5 CDBDHN CC(COC(=O)c1cnn(-c2ccccc2)c1)[N+](=O)[O-] ZINC000813104308 786863956 /nfs/dbraw/zinc/86/39/56/786863956.db2.gz MEFBFSISVPODBC-SNVBAGLBSA-N 0 3 275.264 1.694 20 5 CDBDHN Cn1cc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845739342 788081128 /nfs/dbraw/zinc/08/11/28/788081128.db2.gz RUIUGGQOSNSMEW-SNVBAGLBSA-N 0 3 295.339 1.963 20 5 CDBDHN Cc1ccc(CN(CCO)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000714018178 789110823 /nfs/dbraw/zinc/11/08/23/789110823.db2.gz CCBINYBARNHJJX-LLVKDONJSA-N 0 3 268.313 1.078 20 5 CDBDHN CC[C@](N)(CO)N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220038 912307527 /nfs/dbraw/zinc/30/75/27/912307527.db2.gz SDEORIBELUIMQA-GXFFZTMASA-N 0 3 267.329 1.173 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1nncc1CN ZINC001173234973 912332441 /nfs/dbraw/zinc/33/24/41/912332441.db2.gz RLAXJBGADAWQSG-SECBINFHSA-N 0 3 261.285 1.449 20 5 CDBDHN NCc1ccnn1-c1ccc2ncccc2c1[N+](=O)[O-] ZINC001162598370 922800281 /nfs/dbraw/zinc/80/02/81/922800281.db2.gz VRUWMXAQQWZBQY-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN COc1cnc(N2CC(C)(N(C)C)C2)c([N+](=O)[O-])c1 ZINC001165117482 924973200 /nfs/dbraw/zinc/97/32/00/924973200.db2.gz GTMUGIXYDXZCIJ-UHFFFAOYSA-N 0 3 266.301 1.139 20 5 CDBDHN Cc1ccn2c(c1)nnc2CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168965297 927586044 /nfs/dbraw/zinc/58/60/44/927586044.db2.gz ZEUZDNWWYREJLW-NEPJUHHUSA-N 0 3 289.339 1.573 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@H](n2ncc3c2CCNC3)C1 ZINC001169011030 927616321 /nfs/dbraw/zinc/61/63/21/927616321.db2.gz HKJWMXUXUFBFML-ONGXEEELSA-N 0 3 250.302 1.147 20 5 CDBDHN COc1ccnc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001169228283 927830776 /nfs/dbraw/zinc/83/07/76/927830776.db2.gz OEYKHELTMGVZRX-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN C[C@@H](N)c1ccn(-c2cc([N+](=O)[O-])c3nccn3c2)n1 ZINC001169233826 927848597 /nfs/dbraw/zinc/84/85/97/927848597.db2.gz SOWJPSNRNVRYQA-MRVPVSSYSA-N 0 3 272.268 1.448 20 5 CDBDHN Cc1cnc(N2C[C@@H]3CCCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157260251 938470374 /nfs/dbraw/zinc/47/03/74/938470374.db2.gz IQCPCKYANYOSFI-WCQYABFASA-N 0 3 276.340 1.829 20 5 CDBDHN NCc1cn(-c2nccc(Br)c2[N+](=O)[O-])cn1 ZINC001162304124 938975971 /nfs/dbraw/zinc/97/59/71/938975971.db2.gz KENOIEVHOHBTAZ-UHFFFAOYSA-N 0 3 298.100 1.397 20 5 CDBDHN COc1nc(C)c(N[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001163393407 939261400 /nfs/dbraw/zinc/26/14/00/939261400.db2.gz WUKXSQOIPFEFBE-LBPRGKRZSA-N 0 3 292.339 1.813 20 5 CDBDHN CN(C)C1CN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001163933589 939356626 /nfs/dbraw/zinc/35/66/26/939356626.db2.gz KFVFWMOFPNPXIN-UHFFFAOYSA-N 0 3 256.693 1.393 20 5 CDBDHN CN(C)C1(C)CN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001165117408 939512042 /nfs/dbraw/zinc/51/20/42/939512042.db2.gz VFIUFMDAYNJDKZ-UHFFFAOYSA-N 0 3 270.720 1.784 20 5 CDBDHN O=[N+]([O-])c1ccc2nc(-n3ncc4c3CCNC4)cnc2c1 ZINC001165218434 939525685 /nfs/dbraw/zinc/52/56/85/939525685.db2.gz LLRQDMDCRJJQLY-UHFFFAOYSA-N 0 3 296.290 1.369 20 5 CDBDHN C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C2 ZINC001225661783 941896161 /nfs/dbraw/zinc/89/61/61/941896161.db2.gz PDRAVSVUFMARQK-MYJAWHEDSA-N 0 3 279.296 1.699 20 5 CDBDHN C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C2 ZINC001225661783 941896163 /nfs/dbraw/zinc/89/61/63/941896163.db2.gz PDRAVSVUFMARQK-MYJAWHEDSA-N 0 3 279.296 1.699 20 5 CDBDHN C[C@@H](C[NH+](C)C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690146 942204756 /nfs/dbraw/zinc/20/47/56/942204756.db2.gz GOKORNCTPLMBDB-ZETCQYMHSA-N 0 3 265.273 1.195 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698173 942360184 /nfs/dbraw/zinc/36/01/84/942360184.db2.gz OGLDVNMWWFGIPA-SNVBAGLBSA-N 0 3 262.337 1.340 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228698173 942360185 /nfs/dbraw/zinc/36/01/85/942360185.db2.gz OGLDVNMWWFGIPA-SNVBAGLBSA-N 0 3 262.337 1.340 20 5 CDBDHN CCN1CC[C@H](Oc2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC001229056911 942412652 /nfs/dbraw/zinc/41/26/52/942412652.db2.gz XSFFYDJRYPIHTG-NSHDSACASA-N 0 3 294.307 1.854 20 5 CDBDHN CN(C)CCONC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001261741063 946255940 /nfs/dbraw/zinc/25/59/40/946255940.db2.gz BMLMDZYLFNURCC-UHFFFAOYSA-N 0 3 292.295 1.299 20 5 CDBDHN CN(C)C1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001319264500 958466677 /nfs/dbraw/zinc/46/66/77/958466677.db2.gz YIVPMSXJLQMQJS-UHFFFAOYSA-N 0 3 289.335 1.921 20 5 CDBDHN CN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001336198918 960245927 /nfs/dbraw/zinc/24/59/27/960245927.db2.gz FZVAWDCMLWNVDF-VIFPVBQESA-N 0 3 266.301 1.137 20 5 CDBDHN C[C@@H](NC(=O)C[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001340990958 963224458 /nfs/dbraw/zinc/22/44/58/963224458.db2.gz MPCABPQLJHLXCD-ZWNOBZJWSA-N 0 3 293.323 1.151 20 5 CDBDHN COc1c(O)ccc(CN[C@H]2CCSC2)c1[N+](=O)[O-] ZINC001355312491 969120318 /nfs/dbraw/zinc/12/03/18/969120318.db2.gz LXPAHBXBATZVLS-VIFPVBQESA-N 0 3 284.337 1.904 20 5 CDBDHN CCc1nn(C)c(NC[C@H]2CCCCN2C)c1[N+](=O)[O-] ZINC000091562096 1174298784 /nfs/dbraw/zinc/29/87/84/1174298784.db2.gz LTOFQHPYDMKPNT-SNVBAGLBSA-N 0 3 281.360 1.787 20 5 CDBDHN CCOc1cc(N[C@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000589102031 342497051 /nfs/dbraw/zinc/49/70/51/342497051.db2.gz UJFCIKXYNDPNLE-NSHDSACASA-N 0 3 283.328 1.328 20 5 CDBDHN CN1CC[C@@H]2CN(c3sccc3[N+](=O)[O-])C[C@@H]21 ZINC000590720102 342585918 /nfs/dbraw/zinc/58/59/18/342585918.db2.gz KUHUJAVQZZRRLH-SCZZXKLOSA-N 0 3 253.327 1.797 20 5 CDBDHN CN1CC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000590720113 342585928 /nfs/dbraw/zinc/58/59/28/342585928.db2.gz PNNXHMPXUSFHMQ-KCJUWKMLSA-N 0 3 282.731 1.784 20 5 CDBDHN CN(C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000591149522 342618650 /nfs/dbraw/zinc/61/86/50/342618650.db2.gz BEUFYRDTNMBIHQ-VIFPVBQESA-N 0 3 268.292 1.659 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1NCC1(C)C ZINC000591668461 342641208 /nfs/dbraw/zinc/64/12/08/342641208.db2.gz BJMAIGKXTUVKFF-LBPRGKRZSA-N 0 3 277.324 1.551 20 5 CDBDHN COc1ccc(CNC[C@]2(C)CCC(=O)N2)cc1[N+](=O)[O-] ZINC000453583836 252327790 /nfs/dbraw/zinc/32/77/90/252327790.db2.gz DJYSCBBGDGDYDO-AWEZNQCLSA-N 0 3 293.323 1.362 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1 ZINC000592241723 342680810 /nfs/dbraw/zinc/68/08/10/342680810.db2.gz FLDIXDJZIABSMW-CQSZACIVSA-N 0 3 291.351 1.594 20 5 CDBDHN CCN1C[C@@H](CNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000593685682 342822168 /nfs/dbraw/zinc/82/21/68/342822168.db2.gz DUEQUODQJMKDLG-LLVKDONJSA-N 0 3 277.324 1.553 20 5 CDBDHN CCN1CCC[C@H](Nc2cccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000341591748 539038992 /nfs/dbraw/zinc/03/89/92/539038992.db2.gz JOCBIWQDQZVUES-JTQLQIEISA-N 0 3 292.339 1.590 20 5 CDBDHN C[C@H](O)CN(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000594056837 342869301 /nfs/dbraw/zinc/86/93/01/342869301.db2.gz ZGZSTACDEVWDFR-NSHDSACASA-N 0 3 280.324 1.819 20 5 CDBDHN COc1ccc(CN(C[C@@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594055707 342869383 /nfs/dbraw/zinc/86/93/83/342869383.db2.gz ONGXMOURXQWPLN-SNVBAGLBSA-N 0 3 280.324 1.949 20 5 CDBDHN Cc1ccc([C@@H](C)NC[C@@H]2COCCN2)cc1[N+](=O)[O-] ZINC000600710400 342243584 /nfs/dbraw/zinc/24/35/84/342243584.db2.gz OGGMFLOMGZPEMV-DGCLKSJQSA-N 0 3 279.340 1.542 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1[nH]ncc1[N+](=O)[O-] ZINC000594420481 342903152 /nfs/dbraw/zinc/90/31/52/342903152.db2.gz VDTNDPJSKWLWDK-UWVGGRQHSA-N 0 3 293.327 1.065 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1n[nH]cc1[N+](=O)[O-] ZINC000594420481 342903153 /nfs/dbraw/zinc/90/31/53/342903153.db2.gz VDTNDPJSKWLWDK-UWVGGRQHSA-N 0 3 293.327 1.065 20 5 CDBDHN CC[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766543 529442445 /nfs/dbraw/zinc/44/24/45/529442445.db2.gz QNTLMENDYYIIBQ-KCJUWKMLSA-N 0 3 251.286 1.509 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)CO ZINC000595020285 342996015 /nfs/dbraw/zinc/99/60/15/342996015.db2.gz YIBQWPJNMCWDEJ-ZJUUUORDSA-N 0 3 268.313 1.882 20 5 CDBDHN Cc1ccc(CNCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000405361300 349786019 /nfs/dbraw/zinc/78/60/19/349786019.db2.gz DRZDMXHGEMQZGF-UHFFFAOYSA-N 0 3 277.324 1.615 20 5 CDBDHN O=c1[n-]ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000596082932 343220412 /nfs/dbraw/zinc/22/04/12/343220412.db2.gz PZSMBEORSVYFKE-NSHDSACASA-N 0 3 292.339 1.760 20 5 CDBDHN CCCN(CCN1CCCC1)c1ccc(N)c([N+](=O)[O-])n1 ZINC000596232902 343262214 /nfs/dbraw/zinc/26/22/14/343262214.db2.gz UBJDRILEOIVBAO-UHFFFAOYSA-N 0 3 293.371 1.884 20 5 CDBDHN CCN1CCCN(c2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000596268867 343280874 /nfs/dbraw/zinc/28/08/74/343280874.db2.gz LXHGQSAPDZYAPE-LLVKDONJSA-N 0 3 264.329 1.910 20 5 CDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000596267944 343280910 /nfs/dbraw/zinc/28/09/10/343280910.db2.gz AIVBBLLJVQCAJY-NSHDSACASA-N 0 3 264.329 1.910 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCCC[C@@H]2O)c1 ZINC000051993393 362169222 /nfs/dbraw/zinc/16/92/22/362169222.db2.gz AVFXBGRIQYLYBW-STQMWFEESA-N 0 3 250.298 1.988 20 5 CDBDHN C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000090551262 342396431 /nfs/dbraw/zinc/39/64/31/342396431.db2.gz JDUNVIREARACLX-QWRGUYRKSA-N 0 3 265.313 1.344 20 5 CDBDHN CN1CCN(CCCNc2ncccc2[N+](=O)[O-])CC1 ZINC000139138353 342443302 /nfs/dbraw/zinc/44/33/02/342443302.db2.gz JHWSMJUSQRWNJT-UHFFFAOYSA-N 0 3 279.344 1.039 20 5 CDBDHN Cc1nc(N2CC[C@@]3(CCN(C)C3)C2)ccc1[N+](=O)[O-] ZINC000292254657 362356023 /nfs/dbraw/zinc/35/60/23/362356023.db2.gz KIBCGKLPFICCGL-CQSZACIVSA-N 0 3 276.340 1.830 20 5 CDBDHN CO[C@@H]1CN[C@@](C)(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000602431706 344424407 /nfs/dbraw/zinc/42/44/07/344424407.db2.gz KCWMIOMEUUKYMK-WCQYABFASA-N 0 3 279.296 1.300 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H]1CCCC[C@H]1O ZINC000602800994 344590627 /nfs/dbraw/zinc/59/06/27/344590627.db2.gz KJAXIYNYSFHNLB-QWHCGFSZSA-N 0 3 296.371 1.583 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)/C=C/CN(C)C ZINC000265646590 362513960 /nfs/dbraw/zinc/51/39/60/362513960.db2.gz NGLCJHIUUSASKG-SNAWJCMRSA-N 0 3 293.323 1.337 20 5 CDBDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000129321077 362649042 /nfs/dbraw/zinc/64/90/42/362649042.db2.gz LCYAPIWBBHCGMJ-RYUDHWBXSA-N 0 3 250.298 1.844 20 5 CDBDHN Cc1cc(C(=O)N2CCNCC2(C)C)ccc1[N+](=O)[O-] ZINC000088138710 346011792 /nfs/dbraw/zinc/01/17/92/346011792.db2.gz YZYVBYNQSJDUNK-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN COC(C)(C)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000610271630 346238627 /nfs/dbraw/zinc/23/86/27/346238627.db2.gz DDIKGPUGURNSSV-UHFFFAOYSA-N 0 3 296.323 1.881 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@@H]1C ZINC000610664912 346338364 /nfs/dbraw/zinc/33/83/64/346338364.db2.gz VINMKUIBHNUBNS-JTQLQIEISA-N 0 3 252.318 1.974 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCC[C@H]1C ZINC000610664913 346338408 /nfs/dbraw/zinc/33/84/08/346338408.db2.gz VINMKUIBHNUBNS-SNVBAGLBSA-N 0 3 252.318 1.974 20 5 CDBDHN CS[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000611242382 346716551 /nfs/dbraw/zinc/71/65/51/346716551.db2.gz NWQSSLHQPXLHGG-WDEREUQCSA-N 0 3 282.369 1.472 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)CN(C)C ZINC000457248120 365921710 /nfs/dbraw/zinc/92/17/10/365921710.db2.gz SRPKCAFXXAYTDB-UHFFFAOYSA-N 0 3 295.339 1.673 20 5 CDBDHN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086468340 179299702 /nfs/dbraw/zinc/29/97/02/179299702.db2.gz PSMLWQAEGOEAGW-QWRGUYRKSA-N 0 3 277.324 1.346 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(C)CC1 ZINC000091557576 180190995 /nfs/dbraw/zinc/19/09/95/180190995.db2.gz HYZUQEZVCSHJDT-UHFFFAOYSA-N 0 3 267.333 1.626 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H](C)N[C@@H](C)C1 ZINC000311707017 350709578 /nfs/dbraw/zinc/70/95/78/350709578.db2.gz NAVLPUOTVNBQPD-DTORHVGOSA-N 0 3 267.333 1.306 20 5 CDBDHN NC(=O)C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000175260367 366060466 /nfs/dbraw/zinc/06/04/66/366060466.db2.gz SAHGUOGNPRPDCV-LBPRGKRZSA-N 0 3 277.324 1.682 20 5 CDBDHN Cc1cc(NCC2=CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000271798680 191334596 /nfs/dbraw/zinc/33/45/96/191334596.db2.gz KITSVZWGSLQOQO-UHFFFAOYSA-N 0 3 262.313 1.972 20 5 CDBDHN C[C@](O)(CNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336794814 356262708 /nfs/dbraw/zinc/26/27/08/356262708.db2.gz FVINDQFZHFRROM-ZDUSSCGKSA-N 0 3 250.298 1.845 20 5 CDBDHN COc1cccc(NC[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC000135060229 357314659 /nfs/dbraw/zinc/31/46/59/357314659.db2.gz UMBGXHSJVOSHFJ-VIFPVBQESA-N 0 3 267.285 1.004 20 5 CDBDHN COc1cc(C[NH2+]CCCCCO)c([N+](=O)[O-])cc1[O-] ZINC000192906132 358248845 /nfs/dbraw/zinc/24/88/45/358248845.db2.gz JFIGYUQGYZPLSA-UHFFFAOYSA-N 0 3 284.312 1.561 20 5 CDBDHN COc1ccc(CNCCN2CCCC2)cc1[N+](=O)[O-] ZINC000054127115 359158983 /nfs/dbraw/zinc/15/89/83/359158983.db2.gz UWEOTNKIUFFSNE-UHFFFAOYSA-N 0 3 279.340 1.789 20 5 CDBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCCCN1 ZINC000050015902 359276005 /nfs/dbraw/zinc/27/60/05/359276005.db2.gz JYFXWXVQHQXNBD-LLVKDONJSA-N 0 3 263.297 1.353 20 5 CDBDHN CCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000112926730 359366433 /nfs/dbraw/zinc/36/64/33/359366433.db2.gz BIHWBWJQKHEWGU-UHFFFAOYSA-N 0 3 265.313 1.205 20 5 CDBDHN CC(C)[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000339832575 359464962 /nfs/dbraw/zinc/46/49/62/359464962.db2.gz YHCUMEYXPIAGQA-LBPRGKRZSA-N 0 3 282.344 1.538 20 5 CDBDHN Cc1nn(C)c(N2CCN(C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000575132449 360878150 /nfs/dbraw/zinc/87/81/50/360878150.db2.gz OUPSHVABFHNCPL-SNVBAGLBSA-N 0 3 293.371 1.557 20 5 CDBDHN C[C@@]1(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC(=O)N1 ZINC000572497169 360979799 /nfs/dbraw/zinc/97/97/99/360979799.db2.gz FHKYHZWEBTUXBL-DOMZBBRYSA-N 0 3 289.335 1.840 20 5 CDBDHN N[C@H](CC(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000345692203 361399634 /nfs/dbraw/zinc/39/96/34/361399634.db2.gz MSNFSHPEGXXKQJ-MRVPVSSYSA-N 0 3 285.250 1.466 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1O ZINC000249563502 364890705 /nfs/dbraw/zinc/89/07/05/364890705.db2.gz MJUXZVBRHIDRKI-BXUZGUMPSA-N 0 3 280.324 1.676 20 5 CDBDHN Cc1ccc(NC(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000414657942 241305077 /nfs/dbraw/zinc/30/50/77/241305077.db2.gz KUNYGTQAYIMCIY-LLVKDONJSA-N 0 3 294.311 1.013 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)CC1 ZINC000330665637 203093181 /nfs/dbraw/zinc/09/31/81/203093181.db2.gz VPHOASNKHDTNHH-UHFFFAOYSA-N 0 3 252.318 1.832 20 5 CDBDHN COCCNCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000414883944 371017060 /nfs/dbraw/zinc/01/70/60/371017060.db2.gz NGTSHJRCRUPHSQ-UHFFFAOYSA-N 0 3 287.747 1.574 20 5 CDBDHN COC[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269650354 373301185 /nfs/dbraw/zinc/30/11/85/373301185.db2.gz MDHIVELCRARXIN-BXUZGUMPSA-N 0 3 280.324 1.597 20 5 CDBDHN CC[C@H](N)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000037810249 373399969 /nfs/dbraw/zinc/39/99/69/373399969.db2.gz DQJUDCYURCTITF-JTQLQIEISA-N 0 3 251.286 1.291 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN(CCO)C2CC2)cc1 ZINC000065534620 373653980 /nfs/dbraw/zinc/65/39/80/373653980.db2.gz NYXKJUBNRUMSMQ-UHFFFAOYSA-N 0 3 266.297 1.430 20 5 CDBDHN C[C@H]1C[C@@H](CO)CN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000420954311 374307348 /nfs/dbraw/zinc/30/73/48/374307348.db2.gz ZKASMXQBSDMAHF-QWHCGFSZSA-N 0 3 294.351 1.924 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN[C@H]2Cc3cccc(O)c3C2)c1 ZINC000429241322 374574903 /nfs/dbraw/zinc/57/49/03/374574903.db2.gz ZJBHXAXCNCURKS-NSHDSACASA-N 0 3 288.307 1.254 20 5 CDBDHN CN(C(=O)c1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000082261965 374600275 /nfs/dbraw/zinc/60/02/75/374600275.db2.gz QGVVSIHGBIBDJH-UHFFFAOYSA-N 0 3 277.324 1.761 20 5 CDBDHN O=[N+]([O-])c1cnc2c(c1)CN(CC[C@H]1CCCO1)CC2 ZINC000332117994 375006910 /nfs/dbraw/zinc/00/69/10/375006910.db2.gz DFHSBVFFYCIJAC-CYBMUJFWSA-N 0 3 277.324 1.917 20 5 CDBDHN CCN(CC)CCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000096548195 375110535 /nfs/dbraw/zinc/11/05/35/375110535.db2.gz YBMMLVJHVKPAGX-UHFFFAOYSA-N 0 3 253.302 1.407 20 5 CDBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283005981 375109596 /nfs/dbraw/zinc/10/95/96/375109596.db2.gz FZXFQZMFHGSYLR-CMPLNLGQSA-N 0 3 295.314 1.868 20 5 CDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cn1)N1CCCC[C@H]1C ZINC000354512427 375720357 /nfs/dbraw/zinc/72/03/57/375720357.db2.gz SPKYNTYSWFXRHN-MNOVXSKESA-N 0 3 279.344 1.482 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CNC(C)(C)CN1CCCC1 ZINC000452100358 251950756 /nfs/dbraw/zinc/95/07/56/251950756.db2.gz ZLVUFKHMENNSRZ-UHFFFAOYSA-N 0 3 281.360 1.292 20 5 CDBDHN COc1ccc(CNCC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000288461176 197084196 /nfs/dbraw/zinc/08/41/96/197084196.db2.gz OAFOQQUHJQSCOH-UHFFFAOYSA-N 0 3 298.339 1.481 20 5 CDBDHN Cc1nn(C)c(NCCN2CCCC2(C)C)c1[N+](=O)[O-] ZINC000450950778 390583056 /nfs/dbraw/zinc/58/30/56/390583056.db2.gz NVWNDXQEPDRJAL-UHFFFAOYSA-N 0 3 281.360 1.923 20 5 CDBDHN CCN(C)C(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449259863 390829958 /nfs/dbraw/zinc/82/99/58/390829958.db2.gz VJUKAIBDIMKHNM-NSHDSACASA-N 0 3 279.340 1.594 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCC[C@H]2O)c(F)c1 ZINC000323169226 391341177 /nfs/dbraw/zinc/34/11/77/391341177.db2.gz LZFBRPOQPVYVDR-VXGBXAGGSA-N 0 3 254.261 1.737 20 5 CDBDHN CO[C@H](C)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248419333 391626962 /nfs/dbraw/zinc/62/69/62/391626962.db2.gz LACBIKVMHQCCDF-GHMZBOCLSA-N 0 3 280.328 1.511 20 5 CDBDHN CC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)N(C)C ZINC000152645925 391780554 /nfs/dbraw/zinc/78/05/54/391780554.db2.gz KSDBAFUDHTVTTQ-CQSZACIVSA-N 0 3 291.351 1.820 20 5 CDBDHN CO[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000487987900 391930564 /nfs/dbraw/zinc/93/05/64/391930564.db2.gz LZPJYACIVMFSSQ-ZIAGYGMSSA-N 0 3 280.324 1.483 20 5 CDBDHN COc1c(C(=O)NCC2(N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000416306555 391984820 /nfs/dbraw/zinc/98/48/20/391984820.db2.gz GQTYRMDRHUYGRM-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N(C)C1CC1 ZINC000263933332 131363669 /nfs/dbraw/zinc/36/36/69/131363669.db2.gz DNRGXDBTTUMZDW-QMMMGPOBSA-N 0 3 266.301 1.135 20 5 CDBDHN C[C@H](NC[C@H]1CNCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000423486333 392963493 /nfs/dbraw/zinc/96/34/93/392963493.db2.gz WIECRKWQPQWHIE-SMDDNHRTSA-N 0 3 278.356 1.149 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@@H]3CCCO3)CC2)n1 ZINC000189206964 140110081 /nfs/dbraw/zinc/11/00/81/140110081.db2.gz CKTSKKWZSSGEET-ZDUSSCGKSA-N 0 3 294.355 1.682 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NCCOCCN(C)C ZINC000226738130 140181162 /nfs/dbraw/zinc/18/11/62/140181162.db2.gz VWHDQGBKLYGAJI-UHFFFAOYSA-N 0 3 268.317 1.288 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000346176966 153084877 /nfs/dbraw/zinc/08/48/77/153084877.db2.gz GBFYFIKJKVBJIA-SECBINFHSA-N 0 3 299.758 1.857 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CC[C@H](CO)O1 ZINC000353715135 156035341 /nfs/dbraw/zinc/03/53/41/156035341.db2.gz XHBZREVZCUJCEI-VXGBXAGGSA-N 0 3 266.297 1.224 20 5 CDBDHN CC(=O)c1ccc(NCCOCCN(C)C)c([N+](=O)[O-])c1 ZINC000354046204 156240150 /nfs/dbraw/zinc/24/01/50/156240150.db2.gz BJVVKHSDTHLUEA-UHFFFAOYSA-N 0 3 295.339 1.788 20 5 CDBDHN CN(C)CCN1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000358747812 158011552 /nfs/dbraw/zinc/01/15/52/158011552.db2.gz ZVHMDXSGEHEODC-UHFFFAOYSA-N 0 3 293.371 1.428 20 5 CDBDHN CC(C)C(=O)NCCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285268009 196237431 /nfs/dbraw/zinc/23/74/31/196237431.db2.gz QQHXMEQWBWEXEP-SNVBAGLBSA-N 0 3 294.355 1.600 20 5 CDBDHN CN(CCN(C)C1CC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420609053 270379446 /nfs/dbraw/zinc/37/94/46/270379446.db2.gz GELBDVVMVRBMAR-UHFFFAOYSA-N 0 3 292.339 1.224 20 5 CDBDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345621405 278253716 /nfs/dbraw/zinc/25/37/16/278253716.db2.gz PFJGMXGJHYPQCK-NSHDSACASA-N 0 3 294.355 1.538 20 5 CDBDHN CCN(C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080256313 279029360 /nfs/dbraw/zinc/02/93/60/279029360.db2.gz CROKAAGSWCDSMM-UHFFFAOYSA-N 0 3 294.355 1.099 20 5 CDBDHN CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000531709960 281823190 /nfs/dbraw/zinc/82/31/90/281823190.db2.gz FGXUTRZHGJEITO-LBPRGKRZSA-N 0 3 265.313 1.551 20 5 CDBDHN C[C@@H](NCCN1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532214821 281936085 /nfs/dbraw/zinc/93/60/85/281936085.db2.gz NEJRZSQNRPEVAZ-QWHCGFSZSA-N 0 3 293.367 1.966 20 5 CDBDHN COCC[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000547395740 289769623 /nfs/dbraw/zinc/76/96/23/289769623.db2.gz NIXQQDCYEHOXLO-NEPJUHHUSA-N 0 3 282.340 1.951 20 5 CDBDHN CC1CCN(CCn2cc([N+](=O)[O-])cc(F)c2=O)CC1 ZINC000571164950 294380720 /nfs/dbraw/zinc/38/07/20/294380720.db2.gz JMOUHUZNVUHJNW-UHFFFAOYSA-N 0 3 283.303 1.628 20 5 CDBDHN CC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000573799798 294888977 /nfs/dbraw/zinc/88/89/77/294888977.db2.gz BXNRTYVBQIGZPA-SNVBAGLBSA-N 0 3 271.704 1.602 20 5 CDBDHN CCN(CC)CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000576823092 317213642 /nfs/dbraw/zinc/21/36/42/317213642.db2.gz NKVXGICDCLVBDN-UHFFFAOYSA-N 0 3 257.265 1.237 20 5 CDBDHN Cc1csc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000379279999 323598270 /nfs/dbraw/zinc/59/82/70/323598270.db2.gz QEOHACXVQGDMKK-NSHDSACASA-N 0 3 296.352 1.312 20 5 CDBDHN C[C@H](C(=O)NC1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000579427530 324181969 /nfs/dbraw/zinc/18/19/69/324181969.db2.gz MTGQQCNVJVFNDR-NSHDSACASA-N 0 3 291.351 1.909 20 5 CDBDHN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@@H]1CN1CCCC1 ZINC000581896811 324856878 /nfs/dbraw/zinc/85/68/78/324856878.db2.gz ZOTDWFHDAGTFCN-LLVKDONJSA-N 0 3 292.339 1.623 20 5 CDBDHN NCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000237879903 329695237 /nfs/dbraw/zinc/69/52/37/329695237.db2.gz RFCINOJAYWCXNZ-UHFFFAOYSA-N 0 3 295.342 1.230 20 5 CDBDHN CC[C@H](NCCOCCO)c1cccc([N+](=O)[O-])c1 ZINC000037010560 522597917 /nfs/dbraw/zinc/59/79/17/522597917.db2.gz JWVYCNSGRHESKX-ZDUSSCGKSA-N 0 3 268.313 1.644 20 5 CDBDHN COCCN(C)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000061375989 523608555 /nfs/dbraw/zinc/60/85/55/523608555.db2.gz BSKAABWLLHPTFF-UHFFFAOYSA-N 0 3 267.329 1.263 20 5 CDBDHN C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000245715389 524475860 /nfs/dbraw/zinc/47/58/60/524475860.db2.gz URHRPWKJXJUPHI-VHSXEESVSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@H](CN(C)CCn1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000183985127 524573883 /nfs/dbraw/zinc/57/38/83/524573883.db2.gz SXEMHWBMDYTLFA-JTQLQIEISA-N 0 3 295.368 1.983 20 5 CDBDHN C[C@@H](NC[C@@H]1CN(C)CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000068803085 525487179 /nfs/dbraw/zinc/48/71/79/525487179.db2.gz DMCHJNBQTLJVMV-IUODEOHRSA-N 0 3 292.383 1.491 20 5 CDBDHN Cc1ccc([C@H](C)N[C@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000111018291 525945542 /nfs/dbraw/zinc/94/55/42/525945542.db2.gz HDNWORNYPLTISM-JQWIXIFHSA-N 0 3 277.324 1.832 20 5 CDBDHN NC(C(=O)NCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000353122471 527382567 /nfs/dbraw/zinc/38/25/67/527382567.db2.gz AKFDVSWJBPFIJI-MRVPVSSYSA-N 0 3 277.202 1.101 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN(CC3=CCCOC3)CC2)n1 ZINC000366032161 527406905 /nfs/dbraw/zinc/40/69/05/527406905.db2.gz VOYDYSCSPTYAAL-UHFFFAOYSA-N 0 3 292.339 1.775 20 5 CDBDHN CN(C)CCN(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000341783126 535848436 /nfs/dbraw/zinc/84/84/36/535848436.db2.gz LQAFCJXRUJRDTO-UHFFFAOYSA-N 0 3 293.367 1.892 20 5 CDBDHN CN1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420590328 536345215 /nfs/dbraw/zinc/34/52/15/536345215.db2.gz SVQQPWUECKYNLB-UHFFFAOYSA-N 0 3 278.312 1.200 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCCOCC2)c1[N+](=O)[O-] ZINC000893311040 617552018 /nfs/dbraw/zinc/55/20/18/617552018.db2.gz WRXRGSHMSLTTAY-NSHDSACASA-N 0 3 296.323 1.968 20 5 CDBDHN COCC[C@@H](C)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892784142 617745021 /nfs/dbraw/zinc/74/50/21/617745021.db2.gz HAOMJOOWNWWXIF-SECBINFHSA-N 0 3 284.312 1.824 20 5 CDBDHN CN1C[C@H]2[C@@H](CCN2c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000893941938 618205993 /nfs/dbraw/zinc/20/59/93/618205993.db2.gz XPBGCGXBULUPAU-IUCAKERBSA-N 0 3 293.352 1.444 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC[C@@H](O)C2CC2)c(F)c1 ZINC000898204691 621361688 /nfs/dbraw/zinc/36/16/88/621361688.db2.gz YVAJIYXDYXIPCC-CYBMUJFWSA-N 0 3 268.288 1.985 20 5 CDBDHN O=C(Cc1ccccc1)N1CCC[C@@H](NCC[N+](=O)[O-])C1 ZINC000905253307 626706416 /nfs/dbraw/zinc/70/64/16/626706416.db2.gz FSKIJQMPZRQVOH-CQSZACIVSA-N 0 3 291.351 1.086 20 5 CDBDHN CC(C)(O)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000879626915 1166387804 /nfs/dbraw/zinc/38/78/04/1166387804.db2.gz SDOGZIDIZWKFKL-UHFFFAOYSA-N 0 3 282.344 1.274 20 5 CDBDHN O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@H]1CCNC[C@H]1F ZINC001580574551 1172472290 /nfs/dbraw/zinc/47/22/90/1172472290.db2.gz SEERHTDPAMREMS-MNOVXSKESA-N 0 3 299.277 1.093 20 5 CDBDHN CC(=O)N1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000873140013 1165516149 /nfs/dbraw/zinc/51/61/49/1165516149.db2.gz IHJBSBVQONLTDJ-CYBMUJFWSA-N 0 3 277.324 1.614 20 5 CDBDHN CC(COC(=O)c1cnn(CC2CC2)c1)[N+](=O)[O-] ZINC000870376696 791115668 /nfs/dbraw/zinc/11/56/68/791115668.db2.gz KXOOZMXQSWUXBB-QMMMGPOBSA-N 0 3 253.258 1.115 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000063052579 789991251 /nfs/dbraw/zinc/99/12/51/789991251.db2.gz JGOQKYBSTBCINK-UHFFFAOYSA-N 0 3 295.314 1.902 20 5 CDBDHN C[C@@H](N)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000881100277 791297631 /nfs/dbraw/zinc/29/76/31/791297631.db2.gz GBKNFPVQVXVVKF-BDAKNGLRSA-N 0 3 261.285 1.815 20 5 CDBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@]1(O)CCOC1 ZINC000227135577 791299696 /nfs/dbraw/zinc/29/96/96/791299696.db2.gz DUPDDXVINNWPLM-GFCCVEGCSA-N 0 3 286.715 1.489 20 5 CDBDHN CC(COC(=O)[C@H]1CCN(c2ccccc2)C1)[N+](=O)[O-] ZINC000835456438 791351871 /nfs/dbraw/zinc/35/18/71/791351871.db2.gz UXGMUDOAZSOCNT-NEPJUHHUSA-N 0 3 278.308 1.721 20 5 CDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)CO ZINC000830703550 791870103 /nfs/dbraw/zinc/87/01/03/791870103.db2.gz DGAJAQQKHHTKLM-ZDUSSCGKSA-N 0 3 282.340 1.579 20 5 CDBDHN COCCOCCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873023139 791879813 /nfs/dbraw/zinc/87/98/13/791879813.db2.gz UJNFLFFAQXKFOW-UHFFFAOYSA-N 0 3 282.340 1.964 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCN1CCOC1=O ZINC000801600129 792708532 /nfs/dbraw/zinc/70/85/32/792708532.db2.gz LTJMAFRVDUCQMY-UHFFFAOYSA-N 0 3 293.323 1.521 20 5 CDBDHN C[C@H]1COC[C@@H]1NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000932495075 794276727 /nfs/dbraw/zinc/27/67/27/794276727.db2.gz XIXRAZHPVPNNAJ-GWCFXTLKSA-N 0 3 293.323 1.182 20 5 CDBDHN C[C@H](CN1CCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000036932581 794534497 /nfs/dbraw/zinc/53/44/97/794534497.db2.gz GIAXIRQPSYMGSM-GFCCVEGCSA-N 0 3 279.340 1.405 20 5 CDBDHN CC(COC(=O)C(C)(C)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000797277464 795423276 /nfs/dbraw/zinc/42/32/76/795423276.db2.gz AHLXVLCZPXBKDD-SECBINFHSA-N 0 3 295.291 1.901 20 5 CDBDHN CC(C)[C@@](C)(CO)NCc1cccnc1[N+](=O)[O-] ZINC000886211684 796415566 /nfs/dbraw/zinc/41/55/66/796415566.db2.gz VCPAMBNRCXDPIN-GFCCVEGCSA-N 0 3 253.302 1.486 20 5 CDBDHN CC(COC(=O)C1(C(F)(F)F)CCC1)[N+](=O)[O-] ZINC000835455710 796421851 /nfs/dbraw/zinc/42/18/51/796421851.db2.gz OJUWCLFLYUAOBS-LURJTMIESA-N 0 3 255.192 1.927 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1(C(N)=O)CC1 ZINC001173211566 912335824 /nfs/dbraw/zinc/33/58/24/912335824.db2.gz SWFMZAUOPMRWFK-SECBINFHSA-N 0 3 263.297 1.133 20 5 CDBDHN Cc1cnc(CO[C@H]2CCN(C)C2)c(C)c1[N+](=O)[O-] ZINC001224182675 909205998 /nfs/dbraw/zinc/20/59/98/909205998.db2.gz KKNKOCXZYLMEQC-NSHDSACASA-N 0 3 265.313 1.827 20 5 CDBDHN O=C1NCc2ccccc2[C@@H]1N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168981305 927569177 /nfs/dbraw/zinc/56/91/77/927569177.db2.gz HGFZXZFDSHMAHU-OSMZGAPFSA-N 0 3 289.335 1.393 20 5 CDBDHN COC(=O)c1cc(F)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC001122950076 936087499 /nfs/dbraw/zinc/08/74/99/936087499.db2.gz GDRZHKUGPWIPOM-ZETCQYMHSA-N 0 3 285.227 1.434 20 5 CDBDHN COc1cccn2ncc(C(=O)OCC(C)[N+](=O)[O-])c12 ZINC001123041823 936107100 /nfs/dbraw/zinc/10/71/00/936107100.db2.gz GKSOKYGAIGUFDM-QMMMGPOBSA-N 0 3 279.252 1.165 20 5 CDBDHN Cc1cc(CN)nn1-c1ncc([N+](=O)[O-])c(C)c1C ZINC001156039014 938312954 /nfs/dbraw/zinc/31/29/54/938312954.db2.gz KIYLBJLUDMNJCP-UHFFFAOYSA-N 0 3 261.285 1.559 20 5 CDBDHN Cc1ccnc(N2C[C@H]3CCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC001157259685 938470208 /nfs/dbraw/zinc/47/02/08/938470208.db2.gz FJPFYHBNHUGPHO-NEPJUHHUSA-N 0 3 276.340 1.829 20 5 CDBDHN Nc1cc(N2CCN[C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001157765505 938542885 /nfs/dbraw/zinc/54/28/85/938542885.db2.gz UERYWGUKHFVFDN-ZDUSSCGKSA-N 0 3 299.334 1.723 20 5 CDBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCNC3(CC3)C2)n1 ZINC001158936614 938680497 /nfs/dbraw/zinc/68/04/97/938680497.db2.gz KWLLCMXUXOLNCV-UHFFFAOYSA-N 0 3 282.731 1.894 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CNCCO1 ZINC001159490430 938732954 /nfs/dbraw/zinc/73/29/54/938732954.db2.gz WINIQNLYTWJMRA-MWLCHTKSSA-N 0 3 266.301 1.087 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(N[C@@]2(C)CCCN(C)C2)n1 ZINC001162341665 939030459 /nfs/dbraw/zinc/03/04/59/939030459.db2.gz OAWGVZSPCKPUDN-LBPRGKRZSA-N 0 3 265.317 1.589 20 5 CDBDHN CCOC(=O)c1ccc(-n2nccc2CN)c([N+](=O)[O-])c1 ZINC001162597925 939100426 /nfs/dbraw/zinc/10/04/26/939100426.db2.gz OVTZHSAUYHGGCV-UHFFFAOYSA-N 0 3 290.279 1.416 20 5 CDBDHN CN(C)C1(C)CN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])C1 ZINC001165120858 939513821 /nfs/dbraw/zinc/51/38/21/939513821.db2.gz PKEAMJDNJBVUET-UHFFFAOYSA-N 0 3 286.719 1.022 20 5 CDBDHN C[C@@H](N)C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219253640 941322945 /nfs/dbraw/zinc/32/29/45/941322945.db2.gz CXIORUDQVJKHTP-SECBINFHSA-N 0 3 281.315 1.676 20 5 CDBDHN CCN1CCC[C@H](Oc2cncc([N+](=O)[O-])c2)C1 ZINC001227990280 942253701 /nfs/dbraw/zinc/25/37/01/942253701.db2.gz IVTZOKWONCELQN-NSHDSACASA-N 0 3 251.286 1.853 20 5 CDBDHN CN(C1COC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479307 947453456 /nfs/dbraw/zinc/45/34/56/947453456.db2.gz XBPSDCOYBGCDRN-UHFFFAOYSA-N 0 3 291.351 1.894 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1ccncn1)C2 ZINC001254581460 947538124 /nfs/dbraw/zinc/53/81/24/947538124.db2.gz LCEAJIHECLFTHZ-CYBMUJFWSA-N 0 3 270.292 1.642 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)CN(CCc1c[nH]nn1)CC2 ZINC001327871069 955086725 /nfs/dbraw/zinc/08/67/25/955086725.db2.gz VUWVDZVKIMGALU-UHFFFAOYSA-N 0 3 273.296 1.314 20 5 CDBDHN COc1cc(C[NH2+][C@@H](CCO)C(C)C)c([N+](=O)[O-])cc1[O-] ZINC001308288769 956510514 /nfs/dbraw/zinc/51/05/14/956510514.db2.gz GPNQSXCJHXCVHC-NSHDSACASA-N 0 3 298.339 1.806 20 5 CDBDHN CC(=O)c1ncc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC001346122684 964935507 /nfs/dbraw/zinc/93/55/07/964935507.db2.gz FKLRLOIGYRXFJJ-RXMQYKEDSA-N 0 3 258.255 1.168 20 5 CDBDHN CC(C)[C@@H]1C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CCO1 ZINC001346123739 964945109 /nfs/dbraw/zinc/94/51/09/964945109.db2.gz OYZGLTNZARDABI-VWYCJHECSA-N 0 3 259.302 1.646 20 5 CDBDHN CC(C)C[C@H](N)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001573505348 1170677574 /nfs/dbraw/zinc/67/75/74/1170677574.db2.gz ZTUVWEDYDHAAQQ-LBPRGKRZSA-N 0 3 277.324 1.857 20 5 CDBDHN CC(C)N(C)CC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000144265302 342450581 /nfs/dbraw/zinc/45/05/81/342450581.db2.gz HOFVGQWNVLYAOB-UHFFFAOYSA-N 0 3 294.355 1.463 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000601188493 342488277 /nfs/dbraw/zinc/48/82/77/342488277.db2.gz HPVUCZQVTDZVTL-LLVKDONJSA-N 0 3 264.329 1.910 20 5 CDBDHN Cc1ccc([C@H](C)N[C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601303896 342550887 /nfs/dbraw/zinc/55/08/87/342550887.db2.gz JYPVXWBWPRVUJH-ZKYQVNSYSA-N 0 3 280.324 1.704 20 5 CDBDHN C[C@H]1CCCN(CCNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000590572000 342577144 /nfs/dbraw/zinc/57/71/44/342577144.db2.gz IJNUNUAMWGLNOG-JTQLQIEISA-N 0 3 279.344 1.138 20 5 CDBDHN CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCN(C)C1 ZINC000592832158 342741850 /nfs/dbraw/zinc/74/18/50/342741850.db2.gz RWIWBWYUCOECPJ-SNVBAGLBSA-N 0 3 280.328 1.479 20 5 CDBDHN CN(C)CCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594640691 342939355 /nfs/dbraw/zinc/93/93/55/342939355.db2.gz MERUHFKGQGMAPO-UHFFFAOYSA-N 0 3 261.285 1.280 20 5 CDBDHN COC[C@H](O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595035944 342997774 /nfs/dbraw/zinc/99/77/74/342997774.db2.gz NSXSZFFXPPFALC-CMPLNLGQSA-N 0 3 298.339 1.651 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CCC1 ZINC000595036660 342997936 /nfs/dbraw/zinc/99/79/36/342997936.db2.gz UOVMVXVWRRUFJQ-NSHDSACASA-N 0 3 279.340 1.960 20 5 CDBDHN C[C@@H](O)[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000595769810 343146652 /nfs/dbraw/zinc/14/66/52/343146652.db2.gz MCVFTBKMBPXDKF-BXUZGUMPSA-N 0 3 280.324 1.819 20 5 CDBDHN C[C@H](CN1CCC(C)CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000596488841 343329783 /nfs/dbraw/zinc/32/97/83/343329783.db2.gz SCOGCVDXFWMNQZ-LLVKDONJSA-N 0 3 281.360 1.861 20 5 CDBDHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 ZINC000597714846 343608732 /nfs/dbraw/zinc/60/87/32/343608732.db2.gz KFYYXGIXNPCYCW-AWEZNQCLSA-N 0 3 293.323 1.746 20 5 CDBDHN Cc1ccc(CNCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599011120 343939285 /nfs/dbraw/zinc/93/92/85/343939285.db2.gz YWHUHIIZDFRRLP-CYBMUJFWSA-N 0 3 279.340 1.059 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NCCN2CC[C@@H](O)C2)c1 ZINC000599176394 343966034 /nfs/dbraw/zinc/96/60/34/343966034.db2.gz SMWOMUTZSZSTLV-LLVKDONJSA-N 0 3 265.313 1.382 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(C)C)CC1 ZINC000602759060 344582375 /nfs/dbraw/zinc/58/23/75/344582375.db2.gz JTLQOVWYQOFGNQ-UHFFFAOYSA-N 0 3 281.360 1.126 20 5 CDBDHN CCOC1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602840217 344621219 /nfs/dbraw/zinc/62/12/19/344621219.db2.gz YAVDIMJLTXTCKU-UHFFFAOYSA-N 0 3 296.371 1.991 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](C)[C@H](CO)C1 ZINC000602914144 344647550 /nfs/dbraw/zinc/64/75/50/344647550.db2.gz RUFIPKOTGPJKOE-JQWIXIFHSA-N 0 3 282.344 1.050 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](CO)C2)c1 ZINC000265882763 362628132 /nfs/dbraw/zinc/62/81/32/362628132.db2.gz PVUCREDSUHCIIC-LBPRGKRZSA-N 0 3 280.324 1.678 20 5 CDBDHN CC[C@H](CN1CCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000609876650 346030254 /nfs/dbraw/zinc/03/02/54/346030254.db2.gz DIHCTVIDRCZESP-SNVBAGLBSA-N 0 3 280.328 1.527 20 5 CDBDHN CCn1cnnc1CCNCc1cccc([N+](=O)[O-])c1 ZINC000610658236 346335523 /nfs/dbraw/zinc/33/55/23/346335523.db2.gz OZOBUWRDKDGGAR-UHFFFAOYSA-N 0 3 275.312 1.539 20 5 CDBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266069707 362712513 /nfs/dbraw/zinc/71/25/13/362712513.db2.gz KEJFOQMZUVWNTA-MWLCHTKSSA-N 0 3 280.328 1.335 20 5 CDBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000610897372 346482241 /nfs/dbraw/zinc/48/22/41/346482241.db2.gz UHJAQFSKUDDLNI-YWPYICTPSA-N 0 3 293.367 1.965 20 5 CDBDHN CN(CCC1CC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090565216 180005988 /nfs/dbraw/zinc/00/59/88/180005988.db2.gz UUEMBKBTXHKWTL-UHFFFAOYSA-N 0 3 265.313 1.488 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NCCN1CCCC1 ZINC000091557624 180190732 /nfs/dbraw/zinc/19/07/32/180190732.db2.gz FWJZHGXEHWBBTM-UHFFFAOYSA-N 0 3 267.333 1.627 20 5 CDBDHN O=C1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CCCN1 ZINC000111825758 350500109 /nfs/dbraw/zinc/50/01/09/350500109.db2.gz VUZHAAHUMODLDM-LLVKDONJSA-N 0 3 263.297 1.353 20 5 CDBDHN CNC(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000108876781 186234228 /nfs/dbraw/zinc/23/42/28/186234228.db2.gz IZXJJFGOAJXBEM-UHFFFAOYSA-N 0 3 292.339 1.462 20 5 CDBDHN CCOc1ccc([C@H](C)NCCO)cc1[N+](=O)[O-] ZINC000152630670 188033024 /nfs/dbraw/zinc/03/30/24/188033024.db2.gz MLVDBADVJWEMND-VIFPVBQESA-N 0 3 254.286 1.636 20 5 CDBDHN CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000153471335 188084866 /nfs/dbraw/zinc/08/48/66/188084866.db2.gz ZQZYBNDBGOEZFU-CYBMUJFWSA-N 0 3 291.351 1.690 20 5 CDBDHN CCC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000037029876 363315983 /nfs/dbraw/zinc/31/59/83/363315983.db2.gz ZRANNYLPJMHAST-VIFPVBQESA-N 0 3 251.286 1.969 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1NCC1=CCN(C)CC1 ZINC000271891870 191392805 /nfs/dbraw/zinc/39/28/05/191392805.db2.gz XFOUPNYUDHXCRG-UHFFFAOYSA-N 0 3 262.313 1.972 20 5 CDBDHN C[C@@H]1C[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000401643222 356341064 /nfs/dbraw/zinc/34/10/64/356341064.db2.gz GJLFOVSKRSQKFL-MFKMUULPSA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1=CCN(C)CC1 ZINC000273714806 192274788 /nfs/dbraw/zinc/27/47/88/192274788.db2.gz FURAZZGSACLHPO-SECBINFHSA-N 0 3 263.301 1.447 20 5 CDBDHN CO[C@@]1(C)CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000366473034 363547335 /nfs/dbraw/zinc/54/73/35/363547335.db2.gz VWDZACVPIKUQHC-ZDUSSCGKSA-N 0 3 282.344 1.682 20 5 CDBDHN CS[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000286622610 357588798 /nfs/dbraw/zinc/58/87/98/357588798.db2.gz VZCGWOINHDMVON-OLZOCXBDSA-N 0 3 296.396 1.659 20 5 CDBDHN COC(=O)C1(CNCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000188668435 357924048 /nfs/dbraw/zinc/92/40/48/357924048.db2.gz JLEZFQZBCCEWTE-UHFFFAOYSA-N 0 3 278.308 1.946 20 5 CDBDHN C[C@H](NCCN1CCCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000361349761 358165615 /nfs/dbraw/zinc/16/56/15/358165615.db2.gz XXAYZOBYTRRILN-ZDUSSCGKSA-N 0 3 293.367 1.968 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1OC[C@H](O)CN(C)C1CC1 ZINC000290871248 358691541 /nfs/dbraw/zinc/69/15/41/358691541.db2.gz ZSJBOULGATTXCJ-GFCCVEGCSA-N 0 3 296.323 1.437 20 5 CDBDHN CSC[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000135449598 358754765 /nfs/dbraw/zinc/75/47/65/358754765.db2.gz UWXMWEABQZUGNM-SNVBAGLBSA-N 0 3 270.358 1.619 20 5 CDBDHN NC(=O)c1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000022815116 359135515 /nfs/dbraw/zinc/13/55/15/359135515.db2.gz NUCVEQRESRYBIL-UHFFFAOYSA-N 0 3 278.312 1.201 20 5 CDBDHN CC1=CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000270135426 359905896 /nfs/dbraw/zinc/90/58/96/359905896.db2.gz HPFCTPONJAFJGB-AWEZNQCLSA-N 0 3 292.335 1.987 20 5 CDBDHN CCN1CCN(CCNc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265197908 361345821 /nfs/dbraw/zinc/34/58/21/361345821.db2.gz MFXOSIDDRIBZPY-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000270917011 366944132 /nfs/dbraw/zinc/94/41/32/366944132.db2.gz OPDNTQNYJCBAGI-WCQYABFASA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@H]1C[C@@H](Nc2c(C(N)=O)cccc2[N+](=O)[O-])CCN1C ZINC000420593437 244270521 /nfs/dbraw/zinc/27/05/21/244270521.db2.gz BWEMLTARKDDWEV-UWVGGRQHSA-N 0 3 292.339 1.588 20 5 CDBDHN CCC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000037668504 369785140 /nfs/dbraw/zinc/78/51/40/369785140.db2.gz FRXSANSWAPVCNR-LLVKDONJSA-N 0 3 251.286 1.338 20 5 CDBDHN C[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)N(C)C ZINC000037988045 370098757 /nfs/dbraw/zinc/09/87/57/370098757.db2.gz UWUVWYIVFUFYCD-ZETCQYMHSA-N 0 3 265.273 1.493 20 5 CDBDHN COc1ccc(NC(=O)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272817155 370193636 /nfs/dbraw/zinc/19/36/36/370193636.db2.gz CNGNIRXNURMFDK-UHFFFAOYSA-N 0 3 293.323 1.884 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC3(CC3)C2)c1 ZINC000187002236 373184733 /nfs/dbraw/zinc/18/47/33/373184733.db2.gz ATQNICIBCPAFGG-GFCCVEGCSA-N 0 3 280.328 1.028 20 5 CDBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299147812 374455248 /nfs/dbraw/zinc/45/52/48/374455248.db2.gz RJTSGSZZSPBVLY-GHMZBOCLSA-N 0 3 294.355 1.773 20 5 CDBDHN C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1 ZINC000081588889 374526778 /nfs/dbraw/zinc/52/67/78/374526778.db2.gz AVSLMPGJIWNLRZ-AOOOYVTPSA-N 0 3 287.323 1.725 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000351952732 374699638 /nfs/dbraw/zinc/69/96/38/374699638.db2.gz XCTLWHXGGOBVLV-MFKMUULPSA-N 0 3 266.297 1.286 20 5 CDBDHN COc1cc(C[NH2+][C@@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1[O-] ZINC000449452920 374810034 /nfs/dbraw/zinc/81/00/34/374810034.db2.gz VKYHKZGTMOBMBW-VIFPVBQESA-N 0 3 298.339 1.948 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCCO3)C2)nc1 ZINC000331365248 374940616 /nfs/dbraw/zinc/94/06/16/374940616.db2.gz CYCUINWRZBJZFE-WCQYABFASA-N 0 3 292.339 1.655 20 5 CDBDHN CN(CCCCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000279760055 374957635 /nfs/dbraw/zinc/95/76/35/374957635.db2.gz RISNFFVCYKATMP-CQSZACIVSA-N 0 3 282.340 1.723 20 5 CDBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000331584942 374975450 /nfs/dbraw/zinc/97/54/50/374975450.db2.gz FXSQTALJTYQNRK-UHFFFAOYSA-N 0 3 266.301 1.091 20 5 CDBDHN COc1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000125302540 374993269 /nfs/dbraw/zinc/99/32/69/374993269.db2.gz HAMHQYIUDNXMHV-SCRDCRAPSA-N 0 3 292.335 1.806 20 5 CDBDHN C[C@@H]1OCC[C@@]1(O)CNCc1cccc([N+](=O)[O-])c1 ZINC000227979319 375658813 /nfs/dbraw/zinc/65/88/13/375658813.db2.gz RNNXDFACXWKVEW-GXFFZTMASA-N 0 3 266.297 1.224 20 5 CDBDHN CN1CC[C@](O)(CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000358323363 375959816 /nfs/dbraw/zinc/95/98/16/375959816.db2.gz ANNKBEBKOBFNMO-LBPRGKRZSA-N 0 3 269.276 1.212 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCN1C ZINC000357405704 377343362 /nfs/dbraw/zinc/34/33/62/377343362.db2.gz BQBTYOGGTUSEQK-VHSXEESVSA-N 0 3 280.328 1.146 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](OCCO)C2)cc1 ZINC000172301841 377431894 /nfs/dbraw/zinc/43/18/94/377431894.db2.gz ZPPIZQNJEFKCGV-HNNXBMFYSA-N 0 3 294.351 1.611 20 5 CDBDHN CC[C@H](O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294304418 377404100 /nfs/dbraw/zinc/40/41/00/377404100.db2.gz NMQOLZBDHQDOTB-SCZZXKLOSA-N 0 3 253.302 1.599 20 5 CDBDHN COc1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000129553280 377718990 /nfs/dbraw/zinc/71/89/90/377718990.db2.gz MJEAXRNQAKFHIU-STQMWFEESA-N 0 3 280.324 1.852 20 5 CDBDHN C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCCN1C ZINC000345290859 377815998 /nfs/dbraw/zinc/81/59/98/377815998.db2.gz MHNSNNPACRSGAL-ONGXEEELSA-N 0 3 292.339 1.390 20 5 CDBDHN COC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278694754 194108207 /nfs/dbraw/zinc/10/82/07/194108207.db2.gz QFOCGSPTFXVDBS-UONOGXRCSA-N 0 3 280.324 1.878 20 5 CDBDHN CN(C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000289455076 197356013 /nfs/dbraw/zinc/35/60/13/197356013.db2.gz FKAGXUOEKILPSO-CQSZACIVSA-N 0 3 291.351 1.412 20 5 CDBDHN CN(C)CCSCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000446574738 250299198 /nfs/dbraw/zinc/29/91/98/250299198.db2.gz VSYYZLCRBGKEJE-UHFFFAOYSA-N 0 3 283.353 1.828 20 5 CDBDHN C[C@@H](O)CCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000174792578 379578472 /nfs/dbraw/zinc/57/84/72/379578472.db2.gz OIPHJRQRNDDVMZ-YPMHNXCESA-N 0 3 298.339 1.037 20 5 CDBDHN CCOCCN(CC)CCn1cc([N+](=O)[O-])cn1 ZINC000174853112 379592352 /nfs/dbraw/zinc/59/23/52/379592352.db2.gz VAOROKWGDROTQN-UHFFFAOYSA-N 0 3 256.306 1.150 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491875254 253110603 /nfs/dbraw/zinc/11/06/03/253110603.db2.gz XUKLIRBSWAZVBI-LJTDUEICSA-N 0 3 289.335 1.818 20 5 CDBDHN COCCN(CCN(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000289189914 197258372 /nfs/dbraw/zinc/25/83/72/197258372.db2.gz BKNJLNPODWICNZ-UHFFFAOYSA-N 0 3 281.356 1.605 20 5 CDBDHN C[C@H]1C[C@@H](CO)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288544582 197108147 /nfs/dbraw/zinc/10/81/47/197108147.db2.gz AEIRTBRVJVZOLO-HUBLWGQQSA-N 0 3 294.351 1.721 20 5 CDBDHN C[C@@H]1CCNC(=O)[C@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000193622616 391908033 /nfs/dbraw/zinc/90/80/33/391908033.db2.gz HCKAEFPJNNKAJV-MFKMUULPSA-N 0 3 277.324 1.252 20 5 CDBDHN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1CO ZINC000248929254 131118792 /nfs/dbraw/zinc/11/87/92/131118792.db2.gz MDHFIZDETZNMER-GWCFXTLKSA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000261844763 131172863 /nfs/dbraw/zinc/17/28/63/131172863.db2.gz LLKXEZVSDYYKCY-ZCFIWIBFSA-N 0 3 257.677 1.212 20 5 CDBDHN COc1cc(CN2CC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000489191229 392946086 /nfs/dbraw/zinc/94/60/86/392946086.db2.gz XICDFLNHIYALKJ-HNNXBMFYSA-N 0 3 292.335 1.950 20 5 CDBDHN C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H](C)S1 ZINC000531143302 393056713 /nfs/dbraw/zinc/05/67/13/393056713.db2.gz QKWUNVYKFQKHHF-AOOOYVTPSA-N 0 3 270.358 1.617 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@H](O)C2CCC2)c1 ZINC000316649736 393059179 /nfs/dbraw/zinc/05/91/79/393059179.db2.gz VRGFVHQXXADASN-ZDUSSCGKSA-N 0 3 250.298 1.845 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCNCc3ccccc32)c1 ZINC000430939832 393107855 /nfs/dbraw/zinc/10/78/55/393107855.db2.gz HVTYYZPSLQBCGJ-UHFFFAOYSA-N 0 3 287.323 1.401 20 5 CDBDHN COCC[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282083867 393171548 /nfs/dbraw/zinc/17/15/48/393171548.db2.gz CBCAHJXZIFUXTB-NSHDSACASA-N 0 3 284.312 1.090 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000449070105 393129306 /nfs/dbraw/zinc/12/93/06/393129306.db2.gz JFVVTQOSEHAGBV-SNVBAGLBSA-N 0 3 292.339 1.263 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(N)CCC1 ZINC000449235142 393132200 /nfs/dbraw/zinc/13/22/00/393132200.db2.gz FBXXYLPWGSCQKP-UHFFFAOYSA-N 0 3 279.296 1.101 20 5 CDBDHN C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000275196758 135104261 /nfs/dbraw/zinc/10/42/61/135104261.db2.gz AIUIVIZJILYMRI-VXGBXAGGSA-N 0 3 279.340 1.486 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])CCN1C ZINC000334041752 149305997 /nfs/dbraw/zinc/30/59/97/149305997.db2.gz BKGDHGIAKASCEM-QWRGUYRKSA-N 0 3 277.324 1.807 20 5 CDBDHN C[C@H]1CN(C)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343774071 152298597 /nfs/dbraw/zinc/29/85/97/152298597.db2.gz AZYSCJGDPXEACI-LBPRGKRZSA-N 0 3 279.340 1.610 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346147417 153070814 /nfs/dbraw/zinc/07/08/14/153070814.db2.gz WLSDORJPJOMFKC-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2CC[C@H](CO)O2)c1 ZINC000353711975 156033636 /nfs/dbraw/zinc/03/36/36/156033636.db2.gz UZLBONAPBDWNGP-QWHCGFSZSA-N 0 3 266.297 1.224 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)C2CCOCC2)c1 ZINC000359852774 158399011 /nfs/dbraw/zinc/39/90/11/158399011.db2.gz VRJWTZSUUPKEAE-AWEZNQCLSA-N 0 3 280.324 1.472 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC([C@H]3CCOC3)CC2)n1 ZINC000371753688 160047688 /nfs/dbraw/zinc/04/76/88/160047688.db2.gz PSMVOOSDKSVMON-ZDUSSCGKSA-N 0 3 294.355 1.540 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCN1 ZINC000037810220 173753780 /nfs/dbraw/zinc/75/37/80/173753780.db2.gz GAFTYUJMZXUFNZ-LBPRGKRZSA-N 0 3 277.324 1.695 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044286142 175159257 /nfs/dbraw/zinc/15/92/57/175159257.db2.gz SQKHEKARRYLMNO-JTQLQIEISA-N 0 3 283.353 1.870 20 5 CDBDHN CC1(C)CN(c2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000261575533 276135195 /nfs/dbraw/zinc/13/51/95/276135195.db2.gz NEKBQKPTMLWAIB-UHFFFAOYSA-N 0 3 253.277 1.922 20 5 CDBDHN C[C@@H]1CCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331063510 278471057 /nfs/dbraw/zinc/47/10/57/278471057.db2.gz PHAXOYUKIURQOV-NXEZZACHSA-N 0 3 252.318 1.997 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559799 288075745 /nfs/dbraw/zinc/07/57/45/288075745.db2.gz BIZCKMONUAWHGO-KOLCDFICSA-N 0 3 265.317 1.161 20 5 CDBDHN CN(C)Cc1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000135753582 279826733 /nfs/dbraw/zinc/82/67/33/279826733.db2.gz BMVGOZZOQBVVMG-UHFFFAOYSA-N 0 3 289.295 1.632 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)[C@@H]1CCOC1 ZINC000565218820 293566659 /nfs/dbraw/zinc/56/66/59/293566659.db2.gz RULJTNMFJKXJRP-DGFSRKRXSA-N 0 3 292.335 1.569 20 5 CDBDHN CC(=O)N1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573741702 294879417 /nfs/dbraw/zinc/87/94/17/294879417.db2.gz KYQVJBGWGFDSKX-RISCZKNCSA-N 0 3 289.335 1.793 20 5 CDBDHN COC[C@@](C)(O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000382541790 323645413 /nfs/dbraw/zinc/64/54/13/323645413.db2.gz BDPKVMFWXYHNSU-MFKMUULPSA-N 0 3 268.313 1.643 20 5 CDBDHN CC(C)C[C@@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943219 519224700 /nfs/dbraw/zinc/22/47/00/519224700.db2.gz IZQNVPJBPJZMSR-GFCCVEGCSA-N 0 3 265.313 1.584 20 5 CDBDHN CC[C@H](C)NC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000037997192 523968732 /nfs/dbraw/zinc/96/87/32/523968732.db2.gz ILWCTGIVNWRIIF-NSHDSACASA-N 0 3 279.340 1.989 20 5 CDBDHN COCCN(C)CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000726967856 574529895 /nfs/dbraw/zinc/52/98/95/574529895.db2.gz FLDPGQVAHNUXTA-UHFFFAOYSA-N 0 3 293.327 1.233 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CO)C1CC1 ZINC000771811860 575616975 /nfs/dbraw/zinc/61/69/75/575616975.db2.gz FDRRGLOCBXKSCY-LLVKDONJSA-N 0 3 293.323 1.202 20 5 CDBDHN C[C@@H]1C[C@@H](O)CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000761104821 576549024 /nfs/dbraw/zinc/54/90/24/576549024.db2.gz IFVVLRBACUTQTN-OASPWFOLSA-N 0 3 266.297 1.083 20 5 CDBDHN O=C(CN[C@@H](CCO)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000763067141 576707701 /nfs/dbraw/zinc/70/77/01/576707701.db2.gz OWTOXJHWLNORAP-NSHDSACASA-N 0 3 293.323 1.284 20 5 CDBDHN CC(COC(=O)CCNc1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000813109355 617345591 /nfs/dbraw/zinc/34/55/91/617345591.db2.gz JAESWXQNDXNBON-SECBINFHSA-N 0 3 297.267 1.605 20 5 CDBDHN C[C@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892802056 617768304 /nfs/dbraw/zinc/76/83/04/617768304.db2.gz TUNHQPOPHZFXFW-HNNXBMFYSA-N 0 3 289.335 1.809 20 5 CDBDHN C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])cnn2C)CN1C1CC1 ZINC000892875636 617852507 /nfs/dbraw/zinc/85/25/07/617852507.db2.gz HHEPYFUTWGSHJL-RKDXNWHRSA-N 0 3 265.317 1.365 20 5 CDBDHN CC(COC(=O)C[C@@H]1CCC2(CCC2)CO1)[N+](=O)[O-] ZINC000893048277 618100001 /nfs/dbraw/zinc/10/00/01/618100001.db2.gz VIPCYJJOBHPVHJ-QWRGUYRKSA-N 0 3 271.313 1.934 20 5 CDBDHN COc1c(O)ccc(CN[C@@H](C)[C@H](C)OC)c1[N+](=O)[O-] ZINC000893933552 618192319 /nfs/dbraw/zinc/19/23/19/618192319.db2.gz BBVUHASBQPGFLC-IUCAKERBSA-N 0 3 284.312 1.822 20 5 CDBDHN CNC(=O)CCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801524132 621637262 /nfs/dbraw/zinc/63/72/62/621637262.db2.gz MBNHJCZNJYCIJE-UHFFFAOYSA-N 0 3 283.303 1.692 20 5 CDBDHN COc1ccc([C@H](CNCC[N+](=O)[O-])N(C)C)cc1OC ZINC000899859451 622486833 /nfs/dbraw/zinc/48/68/33/622486833.db2.gz JQBJJSPSRWRBSN-LBPRGKRZSA-N 0 3 297.355 1.173 20 5 CDBDHN NOCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000904457245 626301605 /nfs/dbraw/zinc/30/16/05/626301605.db2.gz QIWKZFYLITVLCU-UHFFFAOYSA-N 0 3 259.693 1.618 20 5 CDBDHN C[C@H](NCC[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000905133637 626647807 /nfs/dbraw/zinc/64/78/07/626647807.db2.gz QXSHEIHIBAHEEM-DZGCQCFKSA-N 0 3 293.367 1.142 20 5 CDBDHN C[C@H](CNCC[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000905404501 626798270 /nfs/dbraw/zinc/79/82/70/626798270.db2.gz KNQDNWMDPMBCBS-SNVBAGLBSA-N 0 3 286.353 1.060 20 5 CDBDHN CCOc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H]1CNCCO1 ZINC001170568750 1162947034 /nfs/dbraw/zinc/94/70/34/1162947034.db2.gz PBIVNVRYIIRDGF-HZMBPMFUSA-N 0 3 295.339 1.782 20 5 CDBDHN Cc1cc(CN)nn1-c1nccc(Cl)c1[N+](=O)[O-] ZINC001156038507 1161984215 /nfs/dbraw/zinc/98/42/15/1161984215.db2.gz VRCWBPSVHLLWCX-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN CC(COC(=O)c1cc2ccccc2[nH]c1=O)[N+](=O)[O-] ZINC000813106295 1163814259 /nfs/dbraw/zinc/81/42/59/1163814259.db2.gz ACXJKLDSJUGUQW-QMMMGPOBSA-N 0 3 276.248 1.762 20 5 CDBDHN CC(COC(=O)c1ccn(-c2cccc(F)c2)n1)[N+](=O)[O-] ZINC000813105507 796628855 /nfs/dbraw/zinc/62/88/55/796628855.db2.gz NOXVVTOBUMRMPR-VIFPVBQESA-N 0 3 293.254 1.833 20 5 CDBDHN CCN1CCN(CCNc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000853150800 796759850 /nfs/dbraw/zinc/75/98/50/796759850.db2.gz ILSIDEJEBVTHMM-UHFFFAOYSA-N 0 3 293.371 1.226 20 5 CDBDHN CCC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001019900172 797057795 /nfs/dbraw/zinc/05/77/95/797057795.db2.gz XZTUDKTWAKMMBL-HAQNSBGRSA-N 0 3 277.324 1.742 20 5 CDBDHN CCO[C@@H]1COC[C@H]1NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832455689 797515914 /nfs/dbraw/zinc/51/59/14/797515914.db2.gz OTOUBTYBCYNSBA-HZSPNIEDSA-N 0 3 296.323 1.022 20 5 CDBDHN CC(COC(=O)[C@H]1CCN(c2ccccc2)C1)[N+](=O)[O-] ZINC000835456445 797854476 /nfs/dbraw/zinc/85/44/76/797854476.db2.gz UXGMUDOAZSOCNT-RYUDHWBXSA-N 0 3 278.308 1.721 20 5 CDBDHN CCNCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000843486632 797885660 /nfs/dbraw/zinc/88/56/60/797885660.db2.gz YEQCIPLKRNPLQQ-UHFFFAOYSA-N 0 3 263.257 1.019 20 5 CDBDHN CC(COC(=O)c1ccc(-n2cccc2)nc1)[N+](=O)[O-] ZINC000813099925 797987281 /nfs/dbraw/zinc/98/72/81/797987281.db2.gz HPMGWXXXZXJDFX-SNVBAGLBSA-N 0 3 275.264 1.694 20 5 CDBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](F)[C@H](O)C1 ZINC001173220405 912302437 /nfs/dbraw/zinc/30/24/37/912302437.db2.gz ADSJXWGYIHOOQI-ZLKJLUDKSA-N 0 3 282.315 1.931 20 5 CDBDHN CC(C)[C@](C)(Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(N)=O ZINC001167415338 895591568 /nfs/dbraw/zinc/59/15/68/895591568.db2.gz NNRAXNKYNQUOEH-AWEZNQCLSA-N 0 3 292.339 1.510 20 5 CDBDHN CCOCc1nc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000835457032 936734648 /nfs/dbraw/zinc/73/46/48/936734648.db2.gz WDJVGGJBVCLZHT-SSDOTTSWSA-N 0 3 288.325 1.810 20 5 CDBDHN Cc1c(F)cnc(-n2cnc(CN)c2)c1[N+](=O)[O-] ZINC001162296488 922181074 /nfs/dbraw/zinc/18/10/74/922181074.db2.gz GKSJNCINZOVQQV-UHFFFAOYSA-N 0 3 251.221 1.082 20 5 CDBDHN COCCOC[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC001308283710 937044192 /nfs/dbraw/zinc/04/41/92/937044192.db2.gz BUHXBSAUJTVCQZ-NSHDSACASA-N 0 3 268.313 1.736 20 5 CDBDHN NCc1ccnn1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001155123896 926552837 /nfs/dbraw/zinc/55/28/37/926552837.db2.gz NDDVDYGBEGBAFF-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN CC1(C)OCC(Nc2cc3c(cc2[N+](=O)[O-])CNC3)CO1 ZINC001168910370 927535412 /nfs/dbraw/zinc/53/54/12/927535412.db2.gz VAXQUHPCLKAUIE-UHFFFAOYSA-N 0 3 293.323 1.761 20 5 CDBDHN Cc1nc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cs1 ZINC001168958876 927580390 /nfs/dbraw/zinc/58/03/90/927580390.db2.gz QTUVEVUXFGJZEW-VHSXEESVSA-N 0 3 255.343 1.987 20 5 CDBDHN C[C@@H]1CN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1=O ZINC001169006742 927610909 /nfs/dbraw/zinc/61/09/09/927610909.db2.gz JFWTZBWIPKLVRN-WOPDTQHZSA-N 0 3 254.330 1.733 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCCC3(C2)OCCO3)C1 ZINC001169038918 927649807 /nfs/dbraw/zinc/64/98/07/927649807.db2.gz LJTQYMRQHAWDJZ-NEPJUHHUSA-N 0 3 270.329 1.271 20 5 CDBDHN C[C@@H]1C[C@@H](O)CN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776602175 927813388 /nfs/dbraw/zinc/81/33/88/927813388.db2.gz TZVIRABEUCJTRC-WQAKAFBOSA-N 0 3 266.297 1.083 20 5 CDBDHN NCc1cnnn1-c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001169309878 927947367 /nfs/dbraw/zinc/94/73/67/927947367.db2.gz NLWAMCYMNHJSSP-UHFFFAOYSA-N 0 3 287.201 1.653 20 5 CDBDHN COc1cc(C[NH2+]C[C@H]2C[C@H](OC)C2)c([N+](=O)[O-])cc1[O-] ZINC000883263455 930172456 /nfs/dbraw/zinc/17/24/56/930172456.db2.gz UMKRYWYXIMOFTM-HOMQSWHASA-N 0 3 296.323 1.824 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118203300 937601864 /nfs/dbraw/zinc/60/18/64/937601864.db2.gz GJHKRRGSHKRWOX-GFCCVEGCSA-N 0 3 277.324 1.810 20 5 CDBDHN CCN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000796316662 935022647 /nfs/dbraw/zinc/02/26/47/935022647.db2.gz NUNIAIPEVZWOBU-SWLSCSKDSA-N 0 3 293.367 1.654 20 5 CDBDHN C[C@H](N)c1ccn(-c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])n1 ZINC001158350725 938613072 /nfs/dbraw/zinc/61/30/72/938613072.db2.gz NUSYNOWEGCMYOZ-LURJTMIESA-N 0 3 283.675 1.087 20 5 CDBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001163771373 939325926 /nfs/dbraw/zinc/32/59/26/939325926.db2.gz QYZJLCQZEVTNIP-UHFFFAOYSA-N 0 3 280.328 1.530 20 5 CDBDHN C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664679 941896445 /nfs/dbraw/zinc/89/64/45/941896445.db2.gz RFJMHXGPAWCTCS-IWIIMEHWSA-N 0 3 293.323 1.805 20 5 CDBDHN C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664679 941896446 /nfs/dbraw/zinc/89/64/46/941896446.db2.gz RFJMHXGPAWCTCS-IWIIMEHWSA-N 0 3 293.323 1.805 20 5 CDBDHN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCCC1 ZINC001254580281 947538005 /nfs/dbraw/zinc/53/80/05/947538005.db2.gz BXBZJDFVYMGRCF-ZDUSSCGKSA-N 0 3 289.335 1.274 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@H]1CCOC[C@@H]1F)C2 ZINC001254579561 947538352 /nfs/dbraw/zinc/53/83/52/947538352.db2.gz STPBXVJSEFVAPU-XBFCOCLRSA-N 0 3 280.299 1.779 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H](CO)c1cccnc1)C2 ZINC001254589664 947542376 /nfs/dbraw/zinc/54/23/76/947542376.db2.gz QRMVDGZIXBWIJO-GOEBONIOSA-N 0 3 299.330 1.780 20 5 CDBDHN C[C@H](NC(=O)C[C@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001341108393 963279311 /nfs/dbraw/zinc/27/93/11/963279311.db2.gz MPCABPQLJHLXCD-GWCFXTLKSA-N 0 3 293.323 1.151 20 5 CDBDHN CC(COC(=O)Cc1ccn(CC(F)(F)F)n1)[N+](=O)[O-] ZINC001343664020 964082295 /nfs/dbraw/zinc/08/22/95/964082295.db2.gz OAHWQCUQNIIPOJ-ZETCQYMHSA-N 0 3 295.217 1.196 20 5 CDBDHN C[C@H](N[C@@H]1COCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000601303263 342550966 /nfs/dbraw/zinc/55/09/66/342550966.db2.gz BOHAJGXTKWEHNM-ZWKOPEQDSA-N 0 3 266.297 1.395 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCN(C)C ZINC000289810637 361783452 /nfs/dbraw/zinc/78/34/52/361783452.db2.gz NODZRXPTXXIULL-UHFFFAOYSA-N 0 3 281.356 1.987 20 5 CDBDHN CC1CCN(C[C@@H](O)CNc2ncccc2[N+](=O)[O-])CC1 ZINC000067373169 342048884 /nfs/dbraw/zinc/04/88/84/342048884.db2.gz MTEKGXRWQFSBKL-LBPRGKRZSA-N 0 3 294.355 1.495 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])nc1 ZINC000590693295 342583313 /nfs/dbraw/zinc/58/33/13/342583313.db2.gz QUSKTRYFHJSZSA-JQWIXIFHSA-N 0 3 264.329 1.766 20 5 CDBDHN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000330567010 365618286 /nfs/dbraw/zinc/61/82/86/365618286.db2.gz BAPGQVPUUVQNPN-STQMWFEESA-N 0 3 293.367 1.998 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCSC[C@@H]2C2CC2)c1 ZINC000590758662 342588408 /nfs/dbraw/zinc/58/84/08/342588408.db2.gz CXEWSJPZCHWWLG-GFCCVEGCSA-N 0 3 282.369 1.619 20 5 CDBDHN CCCc1[nH]nc(-c2nc([C@H]3CCCN3)no2)c1[N+](=O)[O-] ZINC000592356718 342688097 /nfs/dbraw/zinc/68/80/97/342688097.db2.gz GNHPBTHWFFBYJM-MRVPVSSYSA-N 0 3 292.299 1.745 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CN(C)C1CC1 ZINC000290032665 361976213 /nfs/dbraw/zinc/97/62/13/361976213.db2.gz QGKGJUCIRAKKDY-CQSZACIVSA-N 0 3 293.367 1.482 20 5 CDBDHN O=C1NCCC[C@@H]1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594516803 342917035 /nfs/dbraw/zinc/91/70/35/342917035.db2.gz FKKAEOKRRBVCDF-MFKMUULPSA-N 0 3 289.335 1.698 20 5 CDBDHN COCC[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041147 342998347 /nfs/dbraw/zinc/99/83/47/342998347.db2.gz YSLFNAHKPJWEQZ-GHMZBOCLSA-N 0 3 298.339 1.651 20 5 CDBDHN C[C@H](CC[NH+](C)C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596099745 343235888 /nfs/dbraw/zinc/23/58/88/343235888.db2.gz WIPLDSQFEWTGSS-MRVPVSSYSA-N 0 3 254.290 1.448 20 5 CDBDHN C[NH+](C)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596126808 343237259 /nfs/dbraw/zinc/23/72/59/343237259.db2.gz PYHBENMJHFRJFM-VIFPVBQESA-N 0 3 266.301 1.083 20 5 CDBDHN C[N@@H+]1CCC[C@@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596245334 343285993 /nfs/dbraw/zinc/28/59/93/343285993.db2.gz XBAGGRZQMCKAIC-CQSZACIVSA-N 0 3 292.339 1.618 20 5 CDBDHN C[N@H+]1CCC[C@@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596245334 343285996 /nfs/dbraw/zinc/28/59/96/343285996.db2.gz XBAGGRZQMCKAIC-CQSZACIVSA-N 0 3 292.339 1.618 20 5 CDBDHN CCC(C)(C)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596299192 343291643 /nfs/dbraw/zinc/29/16/43/343291643.db2.gz PBRWKSBGUMFHJW-UHFFFAOYSA-N 0 3 293.371 1.883 20 5 CDBDHN C[C@H]1CCN[C@H](C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000126642638 187253321 /nfs/dbraw/zinc/25/33/21/187253321.db2.gz RFPPPZSJAKSYIU-AAEUAGOBSA-N 0 3 291.351 1.941 20 5 CDBDHN CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC000596518864 343340595 /nfs/dbraw/zinc/34/05/95/343340595.db2.gz XXKJJNAJPUPPHO-LLVKDONJSA-N 0 3 292.339 1.590 20 5 CDBDHN CCN[C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000598638595 343854012 /nfs/dbraw/zinc/85/40/12/343854012.db2.gz PLXYTFCHBUDQDN-VIFPVBQESA-N 0 3 251.286 1.840 20 5 CDBDHN Cc1c(C(=O)N2CCN[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000598571277 343832427 /nfs/dbraw/zinc/83/24/27/343832427.db2.gz BZZJVWCIICKQGL-ZDUSSCGKSA-N 0 3 291.351 1.973 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN[C@H](C(C)C)C2)c1 ZINC000598572897 343832867 /nfs/dbraw/zinc/83/28/67/343832867.db2.gz MMNPGOZNPLNNQU-ZDUSSCGKSA-N 0 3 291.351 1.973 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601672227 344217416 /nfs/dbraw/zinc/21/74/16/344217416.db2.gz VMZVLGGTPOWWQY-JTQLQIEISA-N 0 3 295.314 1.948 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C3CCC2CC3)c1 ZINC000602150315 344351870 /nfs/dbraw/zinc/35/18/70/344351870.db2.gz GJDXBIGVQUJXOL-ORHYLEIMSA-N 0 3 292.335 1.961 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000601971591 344300221 /nfs/dbraw/zinc/30/02/21/344300221.db2.gz DZTTZAYMYUZKLQ-TXEJJXNPSA-N 0 3 278.308 1.552 20 5 CDBDHN CC[C@H](O)[C@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602780776 344596553 /nfs/dbraw/zinc/59/65/53/344596553.db2.gz RTIOFZZNQLDDEM-OLZOCXBDSA-N 0 3 296.371 1.725 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CCC[C@H]1O ZINC000602795583 344586605 /nfs/dbraw/zinc/58/66/05/344586605.db2.gz NMMDFAIHNRZOBX-VXGBXAGGSA-N 0 3 282.344 1.193 20 5 CDBDHN CC(C)OCC[C@@H](O)CNCc1cccc([N+](=O)[O-])c1 ZINC000562985066 293233734 /nfs/dbraw/zinc/23/37/34/293233734.db2.gz GPBOOEBKQDHDDF-CQSZACIVSA-N 0 3 282.340 1.860 20 5 CDBDHN CCC[C@]1(CO)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602827249 344612530 /nfs/dbraw/zinc/61/25/30/344612530.db2.gz BXXARIXOTUQKSG-AWEZNQCLSA-N 0 3 296.371 1.584 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCCO[C@@H](C(C)C)C1 ZINC000602830259 344613754 /nfs/dbraw/zinc/61/37/54/344613754.db2.gz BMWCFTCRBDHSET-CYBMUJFWSA-N 0 3 296.371 1.847 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2[C@H](C1)C2(C)C ZINC000602785447 344599282 /nfs/dbraw/zinc/59/92/82/344599282.db2.gz UHYGTVYDUDEFIU-PHIMTYICSA-N 0 3 264.329 1.688 20 5 CDBDHN COCCCN1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273241035 192084010 /nfs/dbraw/zinc/08/40/10/192084010.db2.gz YSUHEIWYPYPKRQ-UHFFFAOYSA-N 0 3 295.343 1.298 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344278766 362554251 /nfs/dbraw/zinc/55/42/51/362554251.db2.gz XYYZKTIXOSJAIT-LBPRGKRZSA-N 0 3 295.314 1.900 20 5 CDBDHN COc1cc(C[NH2+]C[C@]2(C)CCOC2)c([N+](=O)[O-])cc1[O-] ZINC000344374081 362574575 /nfs/dbraw/zinc/57/45/75/362574575.db2.gz UABRQQOVLBKHQD-AWEZNQCLSA-N 0 3 296.323 1.825 20 5 CDBDHN COc1ccc(CN[C@H]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000295101637 199345490 /nfs/dbraw/zinc/34/54/90/199345490.db2.gz SXVCWGYGYJVTEN-NEPJUHHUSA-N 0 3 280.324 1.854 20 5 CDBDHN Cc1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1[N+](=O)[O-] ZINC000086467270 179297390 /nfs/dbraw/zinc/29/73/90/179297390.db2.gz SAHGLKALOOKZTP-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN COCCN(CCOC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208940 348952872 /nfs/dbraw/zinc/95/28/72/348952872.db2.gz DALIELUFICUEAY-UHFFFAOYSA-N 0 3 298.339 1.568 20 5 CDBDHN COCCN1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C)C1 ZINC000271287794 191051636 /nfs/dbraw/zinc/05/16/36/191051636.db2.gz HROIOXBVPMKVBD-LLVKDONJSA-N 0 3 280.328 1.431 20 5 CDBDHN Cc1c(NC(=O)C[C@@H]2CNCCO2)cccc1[N+](=O)[O-] ZINC000091300090 180126777 /nfs/dbraw/zinc/12/67/77/180126777.db2.gz YZHDFQWRKHXXFL-SNVBAGLBSA-N 0 3 279.296 1.220 20 5 CDBDHN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)N1 ZINC000312774504 350792082 /nfs/dbraw/zinc/79/20/82/350792082.db2.gz MEOQKDPZHUUFJT-OCAPTIKFSA-N 0 3 293.352 1.786 20 5 CDBDHN COC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036804383 363096321 /nfs/dbraw/zinc/09/63/21/363096321.db2.gz YXXAYURBRIKNHL-SECBINFHSA-N 0 3 252.270 1.809 20 5 CDBDHN COCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000271612613 191240348 /nfs/dbraw/zinc/24/03/48/191240348.db2.gz KMDAAODSHGOFKI-GFCCVEGCSA-N 0 3 265.313 1.727 20 5 CDBDHN COC[C@@H](O)CCNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000153721628 188099160 /nfs/dbraw/zinc/09/91/60/188099160.db2.gz VCOHFSKRSIMOHP-NSHDSACASA-N 0 3 284.312 1.090 20 5 CDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271697399 191280635 /nfs/dbraw/zinc/28/06/35/191280635.db2.gz BLZIRRROSRHDLL-UHFFFAOYSA-N 0 3 287.266 1.946 20 5 CDBDHN COc1ccc(CNC[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038062010 356626226 /nfs/dbraw/zinc/62/62/26/356626226.db2.gz WEFMHAGELYGBRA-LLVKDONJSA-N 0 3 282.296 1.108 20 5 CDBDHN COC(=O)C1(CNCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000188670321 357924070 /nfs/dbraw/zinc/92/40/70/357924070.db2.gz SBTMGRZIAGIVIK-UHFFFAOYSA-N 0 3 294.307 1.646 20 5 CDBDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408122508 358164205 /nfs/dbraw/zinc/16/42/05/358164205.db2.gz XWUFSEWGOHXAAA-GXSJLCMTSA-N 0 3 293.327 1.017 20 5 CDBDHN C[C@H](NC[C@]1(O)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294780978 199180131 /nfs/dbraw/zinc/18/01/31/199180131.db2.gz NVDYXMFIOVEEMH-TVQRCGJNSA-N 0 3 297.380 1.696 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCOCCO)C2)cc1 ZINC000451543456 359061651 /nfs/dbraw/zinc/06/16/51/359061651.db2.gz BUUJARYTXSCDNG-CQSZACIVSA-N 0 3 294.351 1.783 20 5 CDBDHN COC(=O)[C@H](C)CN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000048336229 359201800 /nfs/dbraw/zinc/20/18/00/359201800.db2.gz GSICIPYZXCDYKF-SNVBAGLBSA-N 0 3 296.323 1.844 20 5 CDBDHN CCC[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015955 359275523 /nfs/dbraw/zinc/27/55/23/359275523.db2.gz DYDVMWFWKXKXLU-JTQLQIEISA-N 0 3 251.286 1.338 20 5 CDBDHN CCN(C)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000049937534 359523257 /nfs/dbraw/zinc/52/32/57/359523257.db2.gz WAKOKAGGUUQPMS-UHFFFAOYSA-N 0 3 265.273 1.495 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015974 359561437 /nfs/dbraw/zinc/56/14/37/359561437.db2.gz MPIJVPLKDZPKDA-LLVKDONJSA-N 0 3 265.313 1.584 20 5 CDBDHN Cc1c(CN2CC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000051887245 359949164 /nfs/dbraw/zinc/94/91/64/359949164.db2.gz VKNBRPVZNMPJOH-LLVKDONJSA-N 0 3 250.298 1.717 20 5 CDBDHN Cc1nc(N2CC[C@H]3CC[C@@H](C2)N3C)ncc1[N+](=O)[O-] ZINC000296995538 360052390 /nfs/dbraw/zinc/05/23/90/360052390.db2.gz FPKBLQAKWKSRGZ-MNOVXSKESA-N 0 3 277.328 1.366 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2COCCO2)cc1 ZINC000037998095 361522643 /nfs/dbraw/zinc/52/26/43/361522643.db2.gz IHYBCIVAFZDBOB-LBPRGKRZSA-N 0 3 252.270 1.100 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@@H](CO)[C@H]2CCCO2)c1 ZINC000447907487 364584884 /nfs/dbraw/zinc/58/48/84/364584884.db2.gz RWFNHCJXUSONAN-QWHCGFSZSA-N 0 3 266.297 1.224 20 5 CDBDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000330889052 203356262 /nfs/dbraw/zinc/35/62/62/203356262.db2.gz BBHKBXVYUTUDFE-AAEUAGOBSA-N 0 3 291.351 1.736 20 5 CDBDHN CC(C)(O)CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000330896661 203364750 /nfs/dbraw/zinc/36/47/50/203364750.db2.gz NKRDFXZSJRQYHI-NSHDSACASA-N 0 3 294.355 1.637 20 5 CDBDHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766503 370079376 /nfs/dbraw/zinc/07/93/76/370079376.db2.gz PHYGLOHTLYVZOH-CABZTGNLSA-N 0 3 265.313 1.755 20 5 CDBDHN CCN(CCNc1ncc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000295419146 370220691 /nfs/dbraw/zinc/22/06/91/370220691.db2.gz DUFKAPSLPBDBHZ-UHFFFAOYSA-N 0 3 265.317 1.589 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000168697025 371282701 /nfs/dbraw/zinc/28/27/01/371282701.db2.gz WBCITZREHFLSTO-MRVPVSSYSA-N 0 3 285.731 1.928 20 5 CDBDHN CO[C@@]1(CNCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000122874823 372315423 /nfs/dbraw/zinc/31/54/23/372315423.db2.gz AJWSWBVSWGHEIZ-CYBMUJFWSA-N 0 3 266.297 1.490 20 5 CDBDHN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N)cc1[N+](=O)[O-] ZINC000121817755 373236502 /nfs/dbraw/zinc/23/65/02/373236502.db2.gz LIRDCIFGYPEJCR-DTWKUNHWSA-N 0 3 251.286 1.428 20 5 CDBDHN CC(C)[C@@H](CCO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000274110815 374111508 /nfs/dbraw/zinc/11/15/08/374111508.db2.gz VTPKELSIDMPZQL-GFCCVEGCSA-N 0 3 295.339 1.190 20 5 CDBDHN Cc1ccc([C@@H](C)NCCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000298971472 374280331 /nfs/dbraw/zinc/28/03/31/374280331.db2.gz PEHPFMBNDZRJKT-SECBINFHSA-N 0 3 294.311 1.139 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C)c1 ZINC000130999310 374374412 /nfs/dbraw/zinc/37/44/12/374374412.db2.gz OKUFKSSVZSJYET-UHFFFAOYSA-N 0 3 251.286 1.195 20 5 CDBDHN C[C@@H](NC[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527562 374387625 /nfs/dbraw/zinc/38/76/25/374387625.db2.gz RWXCVSLYULSYSW-MFKMUULPSA-N 0 3 265.313 1.234 20 5 CDBDHN Cc1ccc([C@H](C)NC(=O)[C@@]2(F)CCNC2)cc1[N+](=O)[O-] ZINC000376694459 374567139 /nfs/dbraw/zinc/56/71/39/374567139.db2.gz HNANICHNXRXGGD-IINYFYTJSA-N 0 3 295.314 1.782 20 5 CDBDHN CC(C)[C@@]1(CO)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000377653215 374615488 /nfs/dbraw/zinc/61/54/88/374615488.db2.gz PAFXYDPMWNWELB-ZDUSSCGKSA-N 0 3 282.344 1.132 20 5 CDBDHN CO[C@]1(C)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000279398675 374896718 /nfs/dbraw/zinc/89/67/18/374896718.db2.gz UWIIAVUTDOELTD-GFCCVEGCSA-N 0 3 268.317 1.292 20 5 CDBDHN CCCN(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332697831 375044824 /nfs/dbraw/zinc/04/48/24/375044824.db2.gz LQLNXWXNWOWCMP-UHFFFAOYSA-N 0 3 291.351 1.821 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCC[C@H]1O ZINC000305810563 375659783 /nfs/dbraw/zinc/65/97/83/375659783.db2.gz LZFRCEMZGKYSLR-WCQYABFASA-N 0 3 282.344 1.274 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345008482 375712875 /nfs/dbraw/zinc/71/28/75/375712875.db2.gz ZHUIVVCBQSTPFG-SNVBAGLBSA-N 0 3 280.328 1.147 20 5 CDBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C1CC1 ZINC000357433085 375908487 /nfs/dbraw/zinc/90/84/87/375908487.db2.gz CPWRDUMRRPUSOH-CHWSQXEVSA-N 0 3 294.355 1.273 20 5 CDBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)C(N)=O ZINC000164572852 375919917 /nfs/dbraw/zinc/91/99/17/375919917.db2.gz YAXYNSOHYHHKOT-NXEZZACHSA-N 0 3 265.313 1.379 20 5 CDBDHN COC[C@@]1(C)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296671039 376704441 /nfs/dbraw/zinc/70/44/41/376704441.db2.gz KTEBWUSSBCAHAO-LBPRGKRZSA-N 0 3 268.317 1.150 20 5 CDBDHN COC[C@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278677850 194098980 /nfs/dbraw/zinc/09/89/80/194098980.db2.gz JOXVQTYBTLRREN-TZMCWYRMSA-N 0 3 280.324 1.569 20 5 CDBDHN Cc1nc(NC[C@H](C)N2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450255451 251194158 /nfs/dbraw/zinc/19/41/58/251194158.db2.gz BSWNSRWFUSUOTQ-QWRGUYRKSA-N 0 3 293.371 1.790 20 5 CDBDHN COc1ccc(NC(=O)/C=C\CN(C)C)cc1[N+](=O)[O-] ZINC000492412435 253214230 /nfs/dbraw/zinc/21/42/30/253214230.db2.gz FMWRQFSYCUPXCG-PLNGDYQASA-N 0 3 279.296 1.660 20 5 CDBDHN COCCN(CCN(C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289424655 197340581 /nfs/dbraw/zinc/34/05/81/197340581.db2.gz JSNPYHBZUXHKPB-UHFFFAOYSA-N 0 3 295.383 1.913 20 5 CDBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCCF ZINC000281172241 195134301 /nfs/dbraw/zinc/13/43/01/195134301.db2.gz WJZJWRVEQLVGAJ-SECBINFHSA-N 0 3 269.276 1.871 20 5 CDBDHN CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000497246714 254046885 /nfs/dbraw/zinc/04/68/85/254046885.db2.gz XNXKMRGQBYCVEO-IUCAKERBSA-N 0 3 290.316 1.498 20 5 CDBDHN C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000288244397 197034855 /nfs/dbraw/zinc/03/48/55/197034855.db2.gz FUXRWRLMZZMEHS-WDEREUQCSA-N 0 3 292.339 1.622 20 5 CDBDHN CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CCCO1 ZINC000281385087 195219303 /nfs/dbraw/zinc/21/93/03/195219303.db2.gz MNPBSXICBASXFF-CYBMUJFWSA-N 0 3 295.339 1.257 20 5 CDBDHN COCC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000281750619 195365081 /nfs/dbraw/zinc/36/50/81/195365081.db2.gz VYRZGOHNVCNJHS-NEPJUHHUSA-N 0 3 282.340 1.951 20 5 CDBDHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000177005245 390377879 /nfs/dbraw/zinc/37/78/79/390377879.db2.gz CROSVNDVEZNXCR-JTQLQIEISA-N 0 3 281.312 1.744 20 5 CDBDHN CN(C)CCn1ccc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000119780640 390658280 /nfs/dbraw/zinc/65/82/80/390658280.db2.gz VDMPQUJCPULBJP-UHFFFAOYSA-N 0 3 289.339 1.965 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273559805 390970267 /nfs/dbraw/zinc/97/02/67/390970267.db2.gz BIZCKMONUAWHGO-ONGXEEELSA-N 0 3 265.317 1.161 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000342460251 391038664 /nfs/dbraw/zinc/03/86/64/391038664.db2.gz DXUXMVRYSZGNMI-MWLCHTKSSA-N 0 3 292.339 1.146 20 5 CDBDHN CN(CCN(C)C1CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413232462 391182566 /nfs/dbraw/zinc/18/25/66/391182566.db2.gz OTSDMDGNSXHUGW-UHFFFAOYSA-N 0 3 268.292 1.659 20 5 CDBDHN COc1cc(CNC[C@@H](C)OC)c([N+](=O)[O-])cc1O ZINC000191153121 130190625 /nfs/dbraw/zinc/19/06/25/130190625.db2.gz JPLKBYHUXMHOTL-MRVPVSSYSA-N 0 3 270.285 1.434 20 5 CDBDHN COc1cccc(C(=O)NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000416308443 391985084 /nfs/dbraw/zinc/98/50/84/391985084.db2.gz QPVYBCCBPGHKHV-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134308157 391942074 /nfs/dbraw/zinc/94/20/74/391942074.db2.gz LONKHVUZXPVHGV-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN CC[C@H](NC(=O)CNC)c1cccc([N+](=O)[O-])c1 ZINC000237001986 130996024 /nfs/dbraw/zinc/99/60/24/130996024.db2.gz UHJNOPHQJIQHLX-NSHDSACASA-N 0 3 251.286 1.382 20 5 CDBDHN CC[C@@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000425911302 393031018 /nfs/dbraw/zinc/03/10/18/393031018.db2.gz AKVFZNDZTDPTOE-CYBMUJFWSA-N 0 3 250.298 1.942 20 5 CDBDHN O=C(N[C@H]1CNCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000449659500 393137554 /nfs/dbraw/zinc/13/75/54/393137554.db2.gz VUGXSNBPMJYPBY-JTQLQIEISA-N 0 3 285.250 1.322 20 5 CDBDHN C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000186880405 140071687 /nfs/dbraw/zinc/07/16/87/140071687.db2.gz MJUXZVBRHIDRKI-FZMZJTMJSA-N 0 3 280.324 1.676 20 5 CDBDHN CN1CC[C@@H](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000187658040 140082595 /nfs/dbraw/zinc/08/25/95/140082595.db2.gz BQUPOHXZELWNEA-SECBINFHSA-N 0 3 289.291 1.143 20 5 CDBDHN O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CNCCO1 ZINC000261557955 140347152 /nfs/dbraw/zinc/34/71/52/140347152.db2.gz CXKUXZMKAYARAF-QMMMGPOBSA-N 0 3 255.249 1.134 20 5 CDBDHN CSC[C@](C)(O)CNCc1ccc([N+](=O)[O-])cc1F ZINC000311446074 149212736 /nfs/dbraw/zinc/21/27/36/149212736.db2.gz QUZOWFBBGIACAL-GFCCVEGCSA-N 0 3 288.344 1.938 20 5 CDBDHN CSc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000343004120 151991785 /nfs/dbraw/zinc/99/17/85/151991785.db2.gz PTHSFKYGOIBDAJ-SECBINFHSA-N 0 3 297.380 1.997 20 5 CDBDHN COC(=O)c1cc(C)nc(N[C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000343782590 152301018 /nfs/dbraw/zinc/30/10/18/152301018.db2.gz BUKGDPDPNRGICG-SECBINFHSA-N 0 3 296.327 1.447 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1COCCO1 ZINC000349908073 154267692 /nfs/dbraw/zinc/26/76/92/154267692.db2.gz SOWOTXYYHIEIRY-CYBMUJFWSA-N 0 3 266.297 1.408 20 5 CDBDHN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H](C)O ZINC000352214511 155029151 /nfs/dbraw/zinc/02/91/51/155029151.db2.gz ZSMHFZFZMWOOBP-SNVBAGLBSA-N 0 3 268.313 1.806 20 5 CDBDHN CCCN1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000020448595 171207459 /nfs/dbraw/zinc/20/74/59/171207459.db2.gz ZXKGEQJKMUZAMB-UHFFFAOYSA-N 0 3 281.312 1.792 20 5 CDBDHN Cn1nccc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040675975 174373404 /nfs/dbraw/zinc/37/34/04/174373404.db2.gz VWLLTWCHDUEZTA-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN CNC(=O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000044988687 175285545 /nfs/dbraw/zinc/28/55/45/175285545.db2.gz JFPOQPPUYYQHHG-SECBINFHSA-N 0 3 251.286 1.382 20 5 CDBDHN CNC(=O)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000044989713 175285789 /nfs/dbraw/zinc/28/57/89/175285789.db2.gz PMFVOVHRFDLTLZ-UHFFFAOYSA-N 0 3 251.286 1.129 20 5 CDBDHN CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@H]1N(C)C ZINC000297641675 274183316 /nfs/dbraw/zinc/18/33/16/274183316.db2.gz XVJMUFLMKPBSPM-GHMZBOCLSA-N 0 3 297.384 1.175 20 5 CDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)C[C@@H]1N(C)C ZINC000297641709 274187558 /nfs/dbraw/zinc/18/75/58/274187558.db2.gz XVJMUFLMKPBSPM-QWRGUYRKSA-N 0 3 297.384 1.175 20 5 CDBDHN C[C@@H](NC[C@@H]1COCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000038060763 278352348 /nfs/dbraw/zinc/35/23/48/278352348.db2.gz MMMTUPBFIZYHSZ-ZWNOBZJWSA-N 0 3 266.297 1.661 20 5 CDBDHN C[C@H](O)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588383 279577826 /nfs/dbraw/zinc/57/78/26/279577826.db2.gz VULJCSLTMYFXLP-TVQRCGJNSA-N 0 3 250.298 1.943 20 5 CDBDHN C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000245411383 280205927 /nfs/dbraw/zinc/20/59/27/280205927.db2.gz WPZCBYKHWNVUAN-MNOVXSKESA-N 0 3 252.318 1.912 20 5 CDBDHN CC(C)N[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000577646132 317376186 /nfs/dbraw/zinc/37/61/86/317376186.db2.gz FVZBECVSMHANCB-LLVKDONJSA-N 0 3 277.280 1.225 20 5 CDBDHN CCOc1ccc([C@H](C)NC[C@H](O)COC)cc1[N+](=O)[O-] ZINC000153857036 521257189 /nfs/dbraw/zinc/25/71/89/521257189.db2.gz RFXVBXQSBOKIPR-JQWIXIFHSA-N 0 3 298.339 1.651 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050709030 521655357 /nfs/dbraw/zinc/65/53/57/521655357.db2.gz LIDIHBYQOWZKPS-UHFFFAOYSA-N 0 3 294.355 1.591 20 5 CDBDHN CN(C[C@H]1CCCN1C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000161505982 523121328 /nfs/dbraw/zinc/12/13/28/523121328.db2.gz JMUYVUAKEIKWLN-SNVBAGLBSA-N 0 3 292.339 1.343 20 5 CDBDHN COc1ccc(CNC2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000069246882 524068817 /nfs/dbraw/zinc/06/88/17/524068817.db2.gz YHGFGVYGMLHPAW-UHFFFAOYSA-N 0 3 296.323 1.235 20 5 CDBDHN Cc1c(NC(=O)[C@@H](C)N2CCNCC2)cccc1[N+](=O)[O-] ZINC000226409827 525851120 /nfs/dbraw/zinc/85/11/20/525851120.db2.gz DFXPAVQTVXEZSM-LLVKDONJSA-N 0 3 292.339 1.135 20 5 CDBDHN CN1CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000729681472 574820585 /nfs/dbraw/zinc/82/05/85/574820585.db2.gz DIBRGHWCQSRASG-NSHDSACASA-N 0 3 293.323 1.160 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN[C@H](CCO)C1CC1 ZINC000741258538 575000344 /nfs/dbraw/zinc/00/03/44/575000344.db2.gz NTFOLRHEMDBQAO-GFCCVEGCSA-N 0 3 250.298 1.845 20 5 CDBDHN C[C@H](OC(=O)C1CCN(C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000774012142 575848292 /nfs/dbraw/zinc/84/82/92/575848292.db2.gz BFBYVMHKTCJPBP-ONGXEEELSA-N 0 3 292.291 1.677 20 5 CDBDHN CC(=O)OC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000893327296 617579524 /nfs/dbraw/zinc/57/95/24/617579524.db2.gz AKNLDJSBBAWZAL-SECBINFHSA-N 0 3 252.270 1.636 20 5 CDBDHN C[C@@]1(NC(=O)c2cccc([N+](=O)[O-])c2)CN2CCC1CC2 ZINC000892802057 617768616 /nfs/dbraw/zinc/76/86/16/617768616.db2.gz TUNHQPOPHZFXFW-OAHLLOKOSA-N 0 3 289.335 1.809 20 5 CDBDHN CC(COC(=O)C[C@@H]1CCC(C)(C)CO1)[N+](=O)[O-] ZINC000893047866 618098613 /nfs/dbraw/zinc/09/86/13/618098613.db2.gz RDHJEWBROHVMME-ZJUUUORDSA-N 0 3 259.302 1.790 20 5 CDBDHN CC(COC(=O)CC[C@@H]1CC(C)(C)CO1)[N+](=O)[O-] ZINC000893047234 618099071 /nfs/dbraw/zinc/09/90/71/618099071.db2.gz KNMRCWGOEBEJKF-VHSXEESVSA-N 0 3 259.302 1.790 20 5 CDBDHN COc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CCCN1C ZINC000894250707 618756542 /nfs/dbraw/zinc/75/65/42/618756542.db2.gz AXYGHOBCIBXMDP-JTQLQIEISA-N 0 3 280.328 1.529 20 5 CDBDHN Cc1c(CNC[C@@H]2COCO2)cccc1[N+](=O)[O-] ZINC000894888987 619124437 /nfs/dbraw/zinc/12/44/37/619124437.db2.gz MSRYQATUECJGKA-LLVKDONJSA-N 0 3 252.270 1.366 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)c1C ZINC000896821203 620241280 /nfs/dbraw/zinc/24/12/80/620241280.db2.gz OZLLMTJPBMMBOX-UHFFFAOYSA-N 0 3 279.340 1.845 20 5 CDBDHN CC[C@H](CO)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000915875618 631850167 /nfs/dbraw/zinc/85/01/67/631850167.db2.gz ULHKWQMQOFALRK-NXEZZACHSA-N 0 3 281.312 1.282 20 5 CDBDHN CC[C@@H](CO)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000916570803 632017325 /nfs/dbraw/zinc/01/73/25/632017325.db2.gz WAQKLZJDIVQIHH-JTQLQIEISA-N 0 3 281.312 1.202 20 5 CDBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC[N+](=O)[O-])C1 ZINC000791054085 1162187503 /nfs/dbraw/zinc/18/75/03/1162187503.db2.gz XAXUOQYCKRBFSF-NWDGAFQWSA-N 0 3 271.361 1.280 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CO)C1CC1 ZINC000797521586 1167010788 /nfs/dbraw/zinc/01/07/88/1167010788.db2.gz XJTAJLUFECBWDC-LBPRGKRZSA-N 0 3 266.297 1.464 20 5 CDBDHN CC(C)CN1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001164651765 719328683 /nfs/dbraw/zinc/32/86/83/719328683.db2.gz HMDLAPICXYDDOX-UHFFFAOYSA-N 0 3 264.329 1.768 20 5 CDBDHN CC(C)(CO)[C@@H](NCc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886217631 805027918 /nfs/dbraw/zinc/02/79/18/805027918.db2.gz DMDUGYRUZMAKKQ-LBPRGKRZSA-N 0 3 279.340 1.877 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](CO)[C@H](CO)C1 ZINC000879693423 805035796 /nfs/dbraw/zinc/03/57/96/805035796.db2.gz CMFITBVRBLAGKG-UTUOFQBUSA-N 0 3 280.324 1.188 20 5 CDBDHN CC(C)C[C@@H]1CN(C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000933249475 805236730 /nfs/dbraw/zinc/23/67/30/805236730.db2.gz HBUBMNFZOPNCAW-CYBMUJFWSA-N 0 3 295.387 1.453 20 5 CDBDHN CC(COC(=O)c1csc(-c2cnn(C)c2)n1)[N+](=O)[O-] ZINC000813109988 811821216 /nfs/dbraw/zinc/82/12/16/811821216.db2.gz YDCVGHAHQWKLKH-ZETCQYMHSA-N 0 3 296.308 1.366 20 5 CDBDHN Nc1ccc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000049956542 812106455 /nfs/dbraw/zinc/10/64/55/812106455.db2.gz PVPCEFRBDUZLBU-UHFFFAOYSA-N 0 3 278.312 1.003 20 5 CDBDHN CO[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591219 812840192 /nfs/dbraw/zinc/84/01/92/812840192.db2.gz HTZOENVAZMZTLF-CHWSQXEVSA-N 0 3 266.297 1.349 20 5 CDBDHN CCn1c(=O)[nH]c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc21 ZINC000847713845 812845297 /nfs/dbraw/zinc/84/52/97/812845297.db2.gz DDNNVNWEIBECSM-QMMMGPOBSA-N 0 3 293.279 1.584 20 5 CDBDHN CC[C@@]1(O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778402392 813038533 /nfs/dbraw/zinc/03/85/33/813038533.db2.gz QMFDNVSIYDQKTN-ZIAGYGMSSA-N 0 3 280.324 1.475 20 5 CDBDHN CCOCCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776606464 813774331 /nfs/dbraw/zinc/77/43/31/813774331.db2.gz WYVUOWGQPLRBJH-CYBMUJFWSA-N 0 3 268.313 1.597 20 5 CDBDHN CC(COC(=O)c1ccc2nccnc2c1)[N+](=O)[O-] ZINC000813109560 814563340 /nfs/dbraw/zinc/56/33/40/814563340.db2.gz LOVPVWJLRGJVAH-MRVPVSSYSA-N 0 3 261.237 1.452 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000716679183 817697728 /nfs/dbraw/zinc/69/77/28/817697728.db2.gz NKWXGTHMGODGOL-QMMMGPOBSA-N 0 3 289.282 1.867 20 5 CDBDHN COC(=O)N1CC(NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877098700 817769373 /nfs/dbraw/zinc/76/93/73/817769373.db2.gz VNWXWDMBQOATDR-UHFFFAOYSA-N 0 3 279.296 1.178 20 5 CDBDHN CC(COC(=O)c1coc(-c2cccnc2)n1)[N+](=O)[O-] ZINC000851036500 817800834 /nfs/dbraw/zinc/80/08/34/817800834.db2.gz JMZVDXFDUYNWHI-QMMMGPOBSA-N 0 3 277.236 1.559 20 5 CDBDHN CC(C)COC[C@@H](O)CNCc1ccccc1[N+](=O)[O-] ZINC000050015737 817836405 /nfs/dbraw/zinc/83/64/05/817836405.db2.gz FDLXJQVYFYIAOJ-ZDUSSCGKSA-N 0 3 282.340 1.718 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](CO)C1CC1 ZINC000797521583 1167010561 /nfs/dbraw/zinc/01/05/61/1167010561.db2.gz XJTAJLUFECBWDC-GFCCVEGCSA-N 0 3 266.297 1.464 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](F)[C@@H](O)C1 ZINC001173220446 912306912 /nfs/dbraw/zinc/30/69/12/912306912.db2.gz ADSJXWGYIHOOQI-HONMWMINSA-N 0 3 282.315 1.931 20 5 CDBDHN Cc1cnc(CO[C@@H]2CCN(C)C2)c(C)c1[N+](=O)[O-] ZINC001224182669 909207929 /nfs/dbraw/zinc/20/79/29/909207929.db2.gz KKNKOCXZYLMEQC-LLVKDONJSA-N 0 3 265.313 1.827 20 5 CDBDHN CON(C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000850479646 927435912 /nfs/dbraw/zinc/43/59/12/927435912.db2.gz AUUDHTDDHUIZBL-JTQLQIEISA-N 0 3 253.302 1.739 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NC2(c3cccnn3)CC2)C1 ZINC001168973289 927596581 /nfs/dbraw/zinc/59/65/81/927596581.db2.gz NTBGAXNDHAXFBH-GHMZBOCLSA-N 0 3 262.313 1.501 20 5 CDBDHN NC(=O)[C@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006456 927611948 /nfs/dbraw/zinc/61/19/48/927611948.db2.gz XRQLTUABVVNCGH-WCFLWFBJSA-N 0 3 277.324 1.248 20 5 CDBDHN NC(=O)[C@H](N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001169006353 927611996 /nfs/dbraw/zinc/61/19/96/927611996.db2.gz XRQLTUABVVNCGH-CYZMBNFOSA-N 0 3 277.324 1.248 20 5 CDBDHN NCc1cnnn1-c1nccc2c1cccc2[N+](=O)[O-] ZINC001169304548 927942045 /nfs/dbraw/zinc/94/20/45/927942045.db2.gz YEIVKPILPAFMKG-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN Cc1[nH]cnc1CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001154301265 937527284 /nfs/dbraw/zinc/52/72/84/937527284.db2.gz KKCCQBZGFDFARA-UHFFFAOYSA-N 0 3 288.307 1.794 20 5 CDBDHN CC(COC(=O)c1nccc2occc21)[N+](=O)[O-] ZINC001122885951 936078566 /nfs/dbraw/zinc/07/85/66/936078566.db2.gz XFGHLFABPGFBPF-SSDOTTSWSA-N 0 3 250.210 1.650 20 5 CDBDHN NCc1ccnn1-c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001162593129 939097499 /nfs/dbraw/zinc/09/74/99/939097499.db2.gz YFAWOPXFHJEFOO-UHFFFAOYSA-N 0 3 296.290 1.696 20 5 CDBDHN CCN1CCCN(c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001163773358 939327189 /nfs/dbraw/zinc/32/71/89/939327189.db2.gz AKLYRQXAAOAFAF-UHFFFAOYSA-N 0 3 280.328 1.530 20 5 CDBDHN CC(=O)Nc1ccc(-n2nc(CN)cc2C)cc1[N+](=O)[O-] ZINC001163985967 939371948 /nfs/dbraw/zinc/37/19/48/939371948.db2.gz LYBRMHMZMREWJB-UHFFFAOYSA-N 0 3 289.295 1.506 20 5 CDBDHN COc1nc(N2CC(C)(N(C)C)C2)ccc1[N+](=O)[O-] ZINC001165116727 939512015 /nfs/dbraw/zinc/51/20/15/939512015.db2.gz KWCLGMFJERAMMR-UHFFFAOYSA-N 0 3 266.301 1.139 20 5 CDBDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000400866153 940859492 /nfs/dbraw/zinc/85/94/92/940859492.db2.gz FKFYLRQIULFRAO-PWSUYJOCSA-N 0 3 279.340 1.975 20 5 CDBDHN CCN1CCC(Oc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001227109266 942134392 /nfs/dbraw/zinc/13/43/92/942134392.db2.gz UMOZMHUHAQGORO-UHFFFAOYSA-N 0 3 296.283 1.761 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC(N(C)C)C1 ZINC001254551046 947520584 /nfs/dbraw/zinc/52/05/84/947520584.db2.gz WKVZVTWCACSZFD-NSHDSACASA-N 0 3 263.341 1.772 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@H]1CCOC[C@@H]1F)C2 ZINC001254590026 947542734 /nfs/dbraw/zinc/54/27/34/947542734.db2.gz STPBXVJSEFVAPU-UBHSHLNASA-N 0 3 280.299 1.779 20 5 CDBDHN CC[C@@H](C)N1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2C)CC1 ZINC001339668654 962477651 /nfs/dbraw/zinc/47/76/51/962477651.db2.gz PSTIVXXJVYRWPU-MNOVXSKESA-N 0 3 296.375 1.073 20 5 CDBDHN CC(COC(=O)C1(Oc2ccccc2)CC1)[N+](=O)[O-] ZINC001344823440 964447497 /nfs/dbraw/zinc/44/74/97/964447497.db2.gz JNLPQUBVKBBHIU-SNVBAGLBSA-N 0 3 265.265 1.806 20 5 CDBDHN CC[C@@H]1CN(C)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000601188277 342488100 /nfs/dbraw/zinc/48/81/00/342488100.db2.gz FVWYKQXJKWGAIV-LLVKDONJSA-N 0 3 264.329 1.910 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncccc1[N+](=O)[O-] ZINC000267773192 300220445 /nfs/dbraw/zinc/22/04/45/300220445.db2.gz XMKIIXXUUAKWCO-WDEREUQCSA-N 0 3 264.329 1.766 20 5 CDBDHN CO[C@H](CN)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290011624 197562413 /nfs/dbraw/zinc/56/24/13/197562413.db2.gz QGNLKLCDRSENPJ-BXKDBHETSA-N 0 3 281.312 1.054 20 5 CDBDHN C[C@@H](NC[C@@H]1C[C@H](F)CN1)c1ccc([N+](=O)[O-])cc1 ZINC000591581001 342637927 /nfs/dbraw/zinc/63/79/27/342637927.db2.gz IWGHIROBYPWIGC-USWWRNFRSA-N 0 3 267.304 1.945 20 5 CDBDHN CN(C)CCc1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594653558 342934221 /nfs/dbraw/zinc/93/42/21/342934221.db2.gz QMBOKSXTYFGODG-UHFFFAOYSA-N 0 3 295.730 1.933 20 5 CDBDHN C[C@@H]1C[C@@H](C)CN(CCn2cnc([N+](=O)[O-])n2)C1 ZINC000594885520 342968398 /nfs/dbraw/zinc/96/83/98/342968398.db2.gz GVORJQSVHLIKIR-NXEZZACHSA-N 0 3 253.306 1.164 20 5 CDBDHN Cc1noc(CN(C)CCN2CCCCC2)c1[N+](=O)[O-] ZINC000595562664 343099147 /nfs/dbraw/zinc/09/91/47/343099147.db2.gz JIMLGLSNNXMGRJ-UHFFFAOYSA-N 0 3 282.344 1.809 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)CC1=CCSC1 ZINC000595890210 343181540 /nfs/dbraw/zinc/18/15/40/343181540.db2.gz ZVTVGXBLOXMFDT-UHFFFAOYSA-N 0 3 268.342 1.396 20 5 CDBDHN NC(=O)c1cc(NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000596059837 343222879 /nfs/dbraw/zinc/22/28/79/343222879.db2.gz UOLLROSCNRPWTQ-UHFFFAOYSA-N 0 3 278.312 1.201 20 5 CDBDHN Cc1nn(C)c(N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000072089532 282271723 /nfs/dbraw/zinc/27/17/23/282271723.db2.gz LEADBCFKAJRZHP-LLVKDONJSA-N 0 3 279.344 1.311 20 5 CDBDHN Cc1cc(C(=O)NC(C)(C)CN(C)C)ccc1[N+](=O)[O-] ZINC000457215970 365770731 /nfs/dbraw/zinc/77/07/31/365770731.db2.gz FFHMBZXAANBCNP-UHFFFAOYSA-N 0 3 279.340 1.973 20 5 CDBDHN CCCN1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000598342238 343770672 /nfs/dbraw/zinc/77/06/72/343770672.db2.gz LBHGKHBMUVBFCN-JTQLQIEISA-N 0 3 283.353 1.870 20 5 CDBDHN C[C@H](NCCN1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085990 343951381 /nfs/dbraw/zinc/95/13/81/343951381.db2.gz WYXZQIZQMPABPO-SMDDNHRTSA-N 0 3 279.340 1.312 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CC[C@@H](O)C1 ZINC000599084349 343958182 /nfs/dbraw/zinc/95/81/82/343958182.db2.gz BAZDXBQWTZJMSG-TZMCWYRMSA-N 0 3 293.367 1.620 20 5 CDBDHN O=C1C[C@@H](NCCc2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000602586448 344477334 /nfs/dbraw/zinc/47/73/34/344477334.db2.gz BWLKAMSHUQHQKZ-GFCCVEGCSA-N 0 3 289.335 1.490 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)C[C@@H]1C ZINC000602782728 344597625 /nfs/dbraw/zinc/59/76/25/344597625.db2.gz WHKOLDUVHCGNSC-UWVGGRQHSA-N 0 3 252.318 1.830 20 5 CDBDHN CC[C@](C)(O)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609544791 345597218 /nfs/dbraw/zinc/59/72/18/345597218.db2.gz XTVHCDZFKDZCDC-AWEZNQCLSA-N 0 3 296.323 1.617 20 5 CDBDHN CCN(C)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000073897032 345583417 /nfs/dbraw/zinc/58/34/17/345583417.db2.gz WTKFPSJRTPOPPS-UHFFFAOYSA-N 0 3 294.355 1.388 20 5 CDBDHN CNC(=O)c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000053548860 347746314 /nfs/dbraw/zinc/74/63/14/347746314.db2.gz JVHSOHOGGSRNSV-UHFFFAOYSA-N 0 3 292.339 1.096 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000086467312 179296907 /nfs/dbraw/zinc/29/69/07/179296907.db2.gz BJDSNBBMQMHUGV-ADYIUWEDSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@@H](O)CCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618969404 348405828 /nfs/dbraw/zinc/40/58/28/348405828.db2.gz QBBPROWESNKFIY-SNVBAGLBSA-N 0 3 296.323 1.617 20 5 CDBDHN COc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000025149385 348620158 /nfs/dbraw/zinc/62/01/58/348620158.db2.gz SIKZTKLYEFLDSJ-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN C[C@H](NC[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000090848561 180045173 /nfs/dbraw/zinc/04/51/73/180045173.db2.gz KGXVJHOWCRTRKC-GXFFZTMASA-N 0 3 266.297 1.397 20 5 CDBDHN CC(C)(O)[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000136253739 362953152 /nfs/dbraw/zinc/95/31/52/362953152.db2.gz OPKOEAFAMYJBED-NSHDSACASA-N 0 3 268.317 1.027 20 5 CDBDHN CC(C)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000092394914 180376707 /nfs/dbraw/zinc/37/67/07/180376707.db2.gz QSNVUOUYNNODCJ-LLVKDONJSA-N 0 3 283.284 1.610 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](CO)C1 ZINC000157156382 188300338 /nfs/dbraw/zinc/30/03/38/188300338.db2.gz UNMQIVQURPTKMP-LBPRGKRZSA-N 0 3 280.324 1.678 20 5 CDBDHN CC[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000229939133 356321622 /nfs/dbraw/zinc/32/16/22/356321622.db2.gz GPOGTDNKLYWMAZ-NSHDSACASA-N 0 3 261.285 1.644 20 5 CDBDHN CCC[C@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236861859 357916924 /nfs/dbraw/zinc/91/69/24/357916924.db2.gz ZPWVCCOPBXBYOM-NSHDSACASA-N 0 3 265.313 1.381 20 5 CDBDHN CSC[C@@H]1CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000135449242 358754615 /nfs/dbraw/zinc/75/46/15/358754615.db2.gz ZHILFRRANTUHPZ-JTQLQIEISA-N 0 3 270.358 1.619 20 5 CDBDHN CN(CCOc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176191444 358731617 /nfs/dbraw/zinc/73/16/17/358731617.db2.gz MSGCCTPOKZRLFJ-UHFFFAOYSA-N 0 3 290.323 1.802 20 5 CDBDHN CN(C)CCN(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000267163125 358969822 /nfs/dbraw/zinc/96/98/22/358969822.db2.gz ZHJRPDMQAXGDKM-UHFFFAOYSA-N 0 3 299.302 1.133 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@]1(O)CCOC1 ZINC000539044171 358944185 /nfs/dbraw/zinc/94/41/85/358944185.db2.gz KFSLDTSDOGXKLH-FZMZJTMJSA-N 0 3 280.324 1.705 20 5 CDBDHN CC[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000338198805 359097957 /nfs/dbraw/zinc/09/79/57/359097957.db2.gz IWJSTOWHCMIEGP-ZDUSSCGKSA-N 0 3 294.355 1.463 20 5 CDBDHN CC(C)[C@H](N)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000050015910 359276428 /nfs/dbraw/zinc/27/64/28/359276428.db2.gz YAJCCNCJVPJWHY-NSHDSACASA-N 0 3 251.286 1.194 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](CC2CC2)C1 ZINC000339679969 359427418 /nfs/dbraw/zinc/42/74/18/359427418.db2.gz UNWTVNHHPVWEDA-ZDUSSCGKSA-N 0 3 291.351 1.879 20 5 CDBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ncc([N+](=O)[O-])cc1F ZINC000408468928 359817496 /nfs/dbraw/zinc/81/74/96/359817496.db2.gz ONKRPGPBGKGWJO-JOYOIKCWSA-N 0 3 282.319 1.905 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1F ZINC000408468926 359815972 /nfs/dbraw/zinc/81/59/72/359815972.db2.gz ONKRPGPBGKGWJO-CABZTGNLSA-N 0 3 282.319 1.905 20 5 CDBDHN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000135994514 360217701 /nfs/dbraw/zinc/21/77/01/360217701.db2.gz URHRPWKJXJUPHI-UWVGGRQHSA-N 0 3 295.343 1.168 20 5 CDBDHN COC(=O)[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000177416913 189049207 /nfs/dbraw/zinc/04/92/07/189049207.db2.gz TZFJDOYUBJURIS-CQSZACIVSA-N 0 3 278.308 1.980 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCCC2)n1 ZINC000166752455 360846794 /nfs/dbraw/zinc/84/67/94/360846794.db2.gz GRXZUQLCVOUSAR-UHFFFAOYSA-N 0 3 294.311 1.284 20 5 CDBDHN C[C@H](O)C[C@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179086093 189167746 /nfs/dbraw/zinc/16/77/46/189167746.db2.gz RFCVOWRCFNWOBR-LNSITVRQSA-N 0 3 294.351 1.864 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCCC3)C2)c1 ZINC000192789093 283667202 /nfs/dbraw/zinc/66/72/02/283667202.db2.gz MVRLUPCHTCAWJV-GFCCVEGCSA-N 0 3 276.340 1.852 20 5 CDBDHN COc1ccc(CN[C@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000168183765 364048885 /nfs/dbraw/zinc/04/88/85/364048885.db2.gz OKHUUTDNDSAQQC-HOGDKLEQSA-N 0 3 286.353 1.460 20 5 CDBDHN CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000270903527 366944866 /nfs/dbraw/zinc/94/48/66/366944866.db2.gz MWOJFFRVXBAKEO-BXUZGUMPSA-N 0 3 280.324 1.676 20 5 CDBDHN CN1CCN(CCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC000037562591 369079645 /nfs/dbraw/zinc/07/96/45/369079645.db2.gz QGLHFMDNCQXLAY-UHFFFAOYSA-N 0 3 298.412 1.383 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000276085507 193210016 /nfs/dbraw/zinc/21/00/16/193210016.db2.gz XMDZOICOPGRNON-UHFFFAOYSA-N 0 3 283.353 1.870 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CCCN1C ZINC000420634086 244299896 /nfs/dbraw/zinc/29/98/96/244299896.db2.gz KJBZIYZUBISYBP-LLVKDONJSA-N 0 3 264.329 1.829 20 5 CDBDHN NC(=O)C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000367981647 371268335 /nfs/dbraw/zinc/26/83/35/371268335.db2.gz BUTZAHLPJZKQAP-NSHDSACASA-N 0 3 293.323 1.171 20 5 CDBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2CCO)cc1 ZINC000301905519 374437538 /nfs/dbraw/zinc/43/75/38/374437538.db2.gz RJLNJMFONXYBCZ-GFCCVEGCSA-N 0 3 250.298 1.942 20 5 CDBDHN CCN(CC)CC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068519681 374477251 /nfs/dbraw/zinc/47/72/51/374477251.db2.gz RKRZMCAECXZXMQ-UHFFFAOYSA-N 0 3 295.339 1.432 20 5 CDBDHN Cc1n[nH]c(C(=O)NCCN2CCCCCC2)c1[N+](=O)[O-] ZINC000299511451 374679710 /nfs/dbraw/zinc/67/97/10/374679710.db2.gz GLMMCKSBRJTSSV-UHFFFAOYSA-N 0 3 295.343 1.232 20 5 CDBDHN COc1ccc(C(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000019275215 374708429 /nfs/dbraw/zinc/70/84/29/374708429.db2.gz FPHLDALZOYMPFT-UHFFFAOYSA-N 0 3 279.296 1.039 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CO)[C@H]2CCCO2)cc1 ZINC000447906419 374721557 /nfs/dbraw/zinc/72/15/57/374721557.db2.gz OSFNCOQZYDNFHF-ZIAGYGMSSA-N 0 3 296.323 1.103 20 5 CDBDHN C[C@@H]1CN(CCCNc2ncccc2[N+](=O)[O-])CCCO1 ZINC000278209324 374834421 /nfs/dbraw/zinc/83/44/21/374834421.db2.gz RDFZTQTWZVWDEC-GFCCVEGCSA-N 0 3 294.355 1.903 20 5 CDBDHN CNC(=O)[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000280533298 375002160 /nfs/dbraw/zinc/00/21/60/375002160.db2.gz CZUCKDRLNKLNBF-CQSZACIVSA-N 0 3 277.324 1.553 20 5 CDBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOC1 ZINC000280601893 375005906 /nfs/dbraw/zinc/00/59/06/375005906.db2.gz ODOOOMJPNVCLMI-UWVGGRQHSA-N 0 3 290.323 1.986 20 5 CDBDHN C[C@H](O)CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000131166571 375180230 /nfs/dbraw/zinc/18/02/30/375180230.db2.gz PDXGAWUDYZWYOF-JTQLQIEISA-N 0 3 254.286 1.286 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000162501035 375368832 /nfs/dbraw/zinc/36/88/32/375368832.db2.gz CRBRUHSQBZDEIG-QEJZJMRPSA-N 0 3 294.351 1.721 20 5 CDBDHN C[C@H](O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000162831994 375528588 /nfs/dbraw/zinc/52/85/88/375528588.db2.gz PKNWJLLCEFBBAW-CMPLNLGQSA-N 0 3 250.298 1.798 20 5 CDBDHN COC[C@H](CNCc1ccc([N+](=O)[O-])cc1)OC ZINC000227706111 375596158 /nfs/dbraw/zinc/59/61/58/375596158.db2.gz FRVBMIAOJRZJQU-LBPRGKRZSA-N 0 3 254.286 1.346 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000353439569 375609722 /nfs/dbraw/zinc/60/97/22/375609722.db2.gz MMELXXIVHDALNL-NOZJJQNGSA-N 0 3 295.339 1.593 20 5 CDBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CN1C1CC1 ZINC000133534599 375797784 /nfs/dbraw/zinc/79/77/84/375797784.db2.gz IZCSFWGORUOIHQ-SFYZADRCSA-N 0 3 278.316 1.004 20 5 CDBDHN Cc1nc(NC2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000296455396 376160223 /nfs/dbraw/zinc/16/02/23/376160223.db2.gz IYHKNCAFGYMNKY-UHFFFAOYSA-N 0 3 251.290 1.199 20 5 CDBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CO)C1 ZINC000266919997 378666971 /nfs/dbraw/zinc/66/69/71/378666971.db2.gz LPHYXYGFJLRAPX-WDEREUQCSA-N 0 3 250.298 1.970 20 5 CDBDHN CC1(C)CCCN(CCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000443945381 250064670 /nfs/dbraw/zinc/06/46/70/250064670.db2.gz JMMWHDWLZYTRIZ-UHFFFAOYSA-N 0 3 279.344 1.341 20 5 CDBDHN COC[C@@H](CCO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447541590 250383753 /nfs/dbraw/zinc/38/37/53/250383753.db2.gz MZXFBXVYMXGTCF-IUODEOHRSA-N 0 3 294.351 1.959 20 5 CDBDHN C[C@@H](O)[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000267036258 379570298 /nfs/dbraw/zinc/57/02/98/379570298.db2.gz CEGCWWQPIDATTI-MNOVXSKESA-N 0 3 268.317 1.027 20 5 CDBDHN CC[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449779603 251017328 /nfs/dbraw/zinc/01/73/28/251017328.db2.gz UFQZOPROEMBXPW-ZYHUDNBSSA-N 0 3 279.340 1.640 20 5 CDBDHN CO[C@@H]1COC[C@@H]1NCCc1ccc([N+](=O)[O-])cc1 ZINC000459826353 252788013 /nfs/dbraw/zinc/78/80/13/252788013.db2.gz LZELCVHQAXXMNE-QWHCGFSZSA-N 0 3 266.297 1.141 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC([C@@H]3CCOC3)CC2)c1 ZINC000372349414 285189551 /nfs/dbraw/zinc/18/95/51/285189551.db2.gz PFGWUCVKDOMPNG-CYBMUJFWSA-N 0 3 294.355 1.540 20 5 CDBDHN CC(C)(CNCc1cccc([N+](=O)[O-])c1)OCCO ZINC000288387507 197064969 /nfs/dbraw/zinc/06/49/69/197064969.db2.gz GOXJBIZHIVXLNJ-UHFFFAOYSA-N 0 3 268.313 1.472 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000106885168 390558999 /nfs/dbraw/zinc/55/89/99/390558999.db2.gz KWEIWVUMJUWFLN-CYBMUJFWSA-N 0 3 250.298 1.858 20 5 CDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000411266823 390966207 /nfs/dbraw/zinc/96/62/07/390966207.db2.gz BBOKDRDFGVVQMK-ZDUSSCGKSA-N 0 3 293.323 1.644 20 5 CDBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000517082594 390968289 /nfs/dbraw/zinc/96/82/89/390968289.db2.gz ZGKGZNXEQSCJDO-SNVBAGLBSA-N 0 3 280.328 1.479 20 5 CDBDHN COc1ccc(NC(=O)N2CCCNCC2)cc1[N+](=O)[O-] ZINC000415434803 391432781 /nfs/dbraw/zinc/43/27/81/391432781.db2.gz ICAYYMAARCVITC-UHFFFAOYSA-N 0 3 294.311 1.431 20 5 CDBDHN COCCCN(CCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000189866135 130032310 /nfs/dbraw/zinc/03/23/10/130032310.db2.gz PVELELMSQAMEJG-UHFFFAOYSA-N 0 3 268.313 1.426 20 5 CDBDHN O=C(NCCNc1ccncc1)c1ccc([N+](=O)[O-])s1 ZINC000341872565 130099451 /nfs/dbraw/zinc/09/94/51/130099451.db2.gz PYPPUSSWHOIVAS-UHFFFAOYSA-N 0 3 292.320 1.315 20 5 CDBDHN C[C@@H]1[C@H](O)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000590762153 391922758 /nfs/dbraw/zinc/92/27/58/391922758.db2.gz IRNRRPYMYWXCIE-ZYHUDNBSSA-N 0 3 266.297 1.429 20 5 CDBDHN CC(COC(=O)[C@@H](C)NC(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000496510409 391923718 /nfs/dbraw/zinc/92/37/18/391923718.db2.gz CRXLMKKHDMJRQT-JGVFFNPUSA-N 0 3 276.289 1.108 20 5 CDBDHN COC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000496814134 391927818 /nfs/dbraw/zinc/92/78/18/391927818.db2.gz ZTSFVXVEQCSMTP-QMMMGPOBSA-N 0 3 282.252 1.687 20 5 CDBDHN Cc1ccc(NCCCNC(=O)C(C)(C)N)c([N+](=O)[O-])c1 ZINC000237607954 131047471 /nfs/dbraw/zinc/04/74/71/131047471.db2.gz FZUUNRHBXHPTTN-UHFFFAOYSA-N 0 3 294.355 1.559 20 5 CDBDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000419832650 392897117 /nfs/dbraw/zinc/89/71/17/392897117.db2.gz VOYFAKSLWDDUGI-TZMCWYRMSA-N 0 3 282.340 1.515 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CNCCC1(F)F ZINC000423687705 392966953 /nfs/dbraw/zinc/96/69/53/392966953.db2.gz AFOOHWUADWEPPN-JTQLQIEISA-N 0 3 299.277 1.630 20 5 CDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CNCCC1(F)F ZINC000449654711 393137591 /nfs/dbraw/zinc/13/75/91/393137591.db2.gz FKKFRTGECPIAFO-NSHDSACASA-N 0 3 299.277 1.251 20 5 CDBDHN CN(C)CCN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000176259662 148032601 /nfs/dbraw/zinc/03/26/01/148032601.db2.gz VAZUCFPARAJURD-UHFFFAOYSA-N 0 3 294.355 1.340 20 5 CDBDHN C[C@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CCCN1C ZINC000343571684 152228686 /nfs/dbraw/zinc/22/86/86/152228686.db2.gz ZXDSEHXYCOFGHG-UWVGGRQHSA-N 0 3 250.302 1.884 20 5 CDBDHN CCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000343970790 152374361 /nfs/dbraw/zinc/37/43/61/152374361.db2.gz IQKQAURIKUSQEZ-JTQLQIEISA-N 0 3 265.317 1.093 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000346133268 153064487 /nfs/dbraw/zinc/06/44/87/153064487.db2.gz AXUPUGXNQZQUFL-SNVBAGLBSA-N 0 3 265.313 1.204 20 5 CDBDHN Cc1cc(C(=O)N[C@H](C)CN(C)C)cc([N+](=O)[O-])c1 ZINC000346226202 153104646 /nfs/dbraw/zinc/10/46/46/153104646.db2.gz PCTDFRYWDWPFMD-SNVBAGLBSA-N 0 3 265.313 1.583 20 5 CDBDHN CN(C)C1(CN(C)C(=O)c2ccc([N+](=O)[O-])n2C)CCC1 ZINC000354218453 156330789 /nfs/dbraw/zinc/33/07/89/156330789.db2.gz UHNDFEZXKGDBEU-UHFFFAOYSA-N 0 3 294.355 1.490 20 5 CDBDHN C[C@H]1C[C@H](C)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000354218932 156331504 /nfs/dbraw/zinc/33/15/04/156331504.db2.gz BYQYPYIFJLMJPO-UWVGGRQHSA-N 0 3 277.324 1.924 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359553247 158285040 /nfs/dbraw/zinc/28/50/40/158285040.db2.gz RNIMBWAORQMZEA-UHFFFAOYSA-N 0 3 269.276 1.368 20 5 CDBDHN CON1CCC(NCc2ccccc2[N+](=O)[O-])CC1 ZINC000323075259 260170008 /nfs/dbraw/zinc/17/00/08/260170008.db2.gz RGYKJODHEUAWFD-UHFFFAOYSA-N 0 3 265.313 1.710 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000524720980 270601516 /nfs/dbraw/zinc/60/15/16/270601516.db2.gz UQXMOGLSLZQLBL-NSHDSACASA-N 0 3 277.324 1.666 20 5 CDBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCNCC2)s1 ZINC000261559602 275034065 /nfs/dbraw/zinc/03/40/65/275034065.db2.gz DUDUQDDUMVVVQU-UHFFFAOYSA-N 0 3 265.298 1.009 20 5 CDBDHN O=[N+]([O-])c1cnc(NC2CCN([C@H]3CCOC3)CC2)nc1 ZINC000368187789 275041191 /nfs/dbraw/zinc/04/11/91/275041191.db2.gz ITYJBRLBFJVVOW-NSHDSACASA-N 0 3 293.327 1.050 20 5 CDBDHN NC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048544745 279158449 /nfs/dbraw/zinc/15/84/49/279158449.db2.gz ZLSJAFGKZYIMNV-UHFFFAOYSA-N 0 3 277.324 1.335 20 5 CDBDHN Cc1ccn(CCN2CCCCC2)c(=O)c1[N+](=O)[O-] ZINC000129545815 279606194 /nfs/dbraw/zinc/60/61/94/279606194.db2.gz XVCOAROBLNQCCJ-UHFFFAOYSA-N 0 3 265.313 1.551 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000195328746 280078747 /nfs/dbraw/zinc/07/87/47/280078747.db2.gz LKXWJGLHDOKUCS-UHFFFAOYSA-N 0 3 277.324 1.729 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)CN(C)C ZINC000154309943 289201638 /nfs/dbraw/zinc/20/16/38/289201638.db2.gz UQTXMLKLYUMEND-DGCLKSJQSA-N 0 3 281.356 1.476 20 5 CDBDHN Cc1cc(CNCCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000417938549 533696531 /nfs/dbraw/zinc/69/65/31/533696531.db2.gz IYSDFWDTWAESTD-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000576911910 317229190 /nfs/dbraw/zinc/22/91/90/317229190.db2.gz PRIJJBGWQASFBM-WDEREUQCSA-N 0 3 279.344 1.260 20 5 CDBDHN COCCN(C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000061376245 523606851 /nfs/dbraw/zinc/60/68/51/523606851.db2.gz QWLOFPQPBSQCLX-LBPRGKRZSA-N 0 3 281.356 1.824 20 5 CDBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000245660359 524616081 /nfs/dbraw/zinc/61/60/81/524616081.db2.gz HHXRERKSLXBXAN-UWVGGRQHSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000235431910 525271755 /nfs/dbraw/zinc/27/17/55/525271755.db2.gz AQNXCJJIPLGKIY-ZJUUUORDSA-N 0 3 299.352 1.014 20 5 CDBDHN COc1ccc(CNC[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000191221294 536893084 /nfs/dbraw/zinc/89/30/84/536893084.db2.gz OGKBHQWYWSGJHJ-SECBINFHSA-N 0 3 254.286 1.728 20 5 CDBDHN Cc1c(CN[C@H](CO)C2CC2)cccc1[N+](=O)[O-] ZINC000763070418 576708622 /nfs/dbraw/zinc/70/86/22/576708622.db2.gz PPCOYGLVZLSQQM-GFCCVEGCSA-N 0 3 250.298 1.764 20 5 CDBDHN C[C@H]1C[C@H](Nc2c([N+](=O)[O-])cnn2C)CN1C1CC1 ZINC000892875635 617852784 /nfs/dbraw/zinc/85/27/84/617852784.db2.gz HHEPYFUTWGSHJL-IUCAKERBSA-N 0 3 265.317 1.365 20 5 CDBDHN Cc1nc(C)c(CC(=O)OCC(C)[N+](=O)[O-])s1 ZINC000893046686 618097825 /nfs/dbraw/zinc/09/78/25/618097825.db2.gz FTTDQBDNMHYSGT-ZCFIWIBFSA-N 0 3 258.299 1.511 20 5 CDBDHN CC(COC(=O)CC[C@H]1CC(C)(C)CO1)[N+](=O)[O-] ZINC000893047233 618099040 /nfs/dbraw/zinc/09/90/40/618099040.db2.gz KNMRCWGOEBEJKF-UWVGGRQHSA-N 0 3 259.302 1.790 20 5 CDBDHN CC(COC(=O)CC[C@H]1CC(C)(C)CO1)[N+](=O)[O-] ZINC000893047235 618099564 /nfs/dbraw/zinc/09/95/64/618099564.db2.gz KNMRCWGOEBEJKF-ZJUUUORDSA-N 0 3 259.302 1.790 20 5 CDBDHN C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CCN(C2CC2)C1 ZINC000893999660 618241661 /nfs/dbraw/zinc/24/16/61/618241661.db2.gz JODJNWXNKVCWAR-SNVBAGLBSA-N 0 3 279.344 1.249 20 5 CDBDHN COc1c(O)ccc(CN[C@H](C)[C@@H](C)OC)c1[N+](=O)[O-] ZINC000894551911 618961004 /nfs/dbraw/zinc/96/10/04/618961004.db2.gz BBVUHASBQPGFLC-RKDXNWHRSA-N 0 3 284.312 1.822 20 5 CDBDHN Cc1ccc(CNC[C@H]2COCO2)cc1[N+](=O)[O-] ZINC000894871750 619112456 /nfs/dbraw/zinc/11/24/56/619112456.db2.gz WNNGSOXYSNYCLT-NSHDSACASA-N 0 3 252.270 1.366 20 5 CDBDHN CN1CC[C@@H]2CC[C@H](C1)N2c1ncc([N+](=O)[O-])cn1 ZINC000895193030 619444792 /nfs/dbraw/zinc/44/47/92/619444792.db2.gz QWUBTRPHAYBQFY-VHSXEESVSA-N 0 3 263.301 1.058 20 5 CDBDHN O=[N+]([O-])CCNCC[C@@H]1COc2ccccc2O1 ZINC000905175938 626679953 /nfs/dbraw/zinc/67/99/53/626679953.db2.gz OSFGSPYGCGAZOZ-SNVBAGLBSA-N 0 3 252.270 1.083 20 5 CDBDHN C[C@H]1CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905976042 627064693 /nfs/dbraw/zinc/06/46/93/627064693.db2.gz XNNMNQKVPCMXHS-WDEREUQCSA-N 0 3 266.297 1.429 20 5 CDBDHN C[C@H]1CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000905976041 627064874 /nfs/dbraw/zinc/06/48/74/627064874.db2.gz XNNMNQKVPCMXHS-QWRGUYRKSA-N 0 3 266.297 1.429 20 5 CDBDHN COc1ccc(C[C@@H](C)N[C@@H]2COC(=O)C2)c([N+](=O)[O-])c1 ZINC001170304957 1162329076 /nfs/dbraw/zinc/32/90/76/1162329076.db2.gz IMSGXMKUELPZQB-KOLCDFICSA-N 0 3 294.307 1.440 20 5 CDBDHN COc1ccc(C[C@@H](C)N2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329771 1162338408 /nfs/dbraw/zinc/33/84/08/1162338408.db2.gz UCAOFXHAQCPGSH-WZRBSPASSA-N 0 3 294.351 1.990 20 5 CDBDHN COc1c(F)cc(N[C@@H](C)[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC001170570202 1162955837 /nfs/dbraw/zinc/95/58/37/1162955837.db2.gz UMXUWYCWOWNUKF-QPUJVOFHSA-N 0 3 299.302 1.531 20 5 CDBDHN CC(C)CN1CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001164657207 719337016 /nfs/dbraw/zinc/33/70/16/719337016.db2.gz BYIITMRNJDIHJL-UHFFFAOYSA-N 0 3 279.344 1.350 20 5 CDBDHN COC(=O)C1CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877721683 818064192 /nfs/dbraw/zinc/06/41/92/818064192.db2.gz YPAFBRWTJMNYAK-UHFFFAOYSA-N 0 3 264.281 1.636 20 5 CDBDHN COc1cc(C[NH2+]CC[C@H]2CCCO2)c([N+](=O)[O-])cc1[O-] ZINC000886315418 818226491 /nfs/dbraw/zinc/22/64/91/818226491.db2.gz LLIKJXMJZORHGK-LLVKDONJSA-N 0 3 296.323 1.968 20 5 CDBDHN CC(C)(C)OC(=O)NC[C@](C)(NCC[N+](=O)[O-])C1CC1 ZINC000791053186 818257677 /nfs/dbraw/zinc/25/76/77/818257677.db2.gz BKHMHRUANXIBGX-ZDUSSCGKSA-N 0 3 287.360 1.546 20 5 CDBDHN CC(COC(=O)C(C)(C)c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000797277465 818378720 /nfs/dbraw/zinc/37/87/20/818378720.db2.gz AHLXVLCZPXBKDD-VIFPVBQESA-N 0 3 295.291 1.901 20 5 CDBDHN CC(COC(=O)[C@H](C)NC(=O)c1cccs1)[N+](=O)[O-] ZINC000813114926 818749533 /nfs/dbraw/zinc/74/95/33/818749533.db2.gz XVSZIGVKFKHANM-SFYZADRCSA-N 0 3 286.309 1.075 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(NC[C@@H]2CNCCO2)c1 ZINC000134270220 818835708 /nfs/dbraw/zinc/83/57/08/818835708.db2.gz SIMKLSXOJUGXJU-JTQLQIEISA-N 0 3 267.285 1.004 20 5 CDBDHN CC(COC(=O)c1c(Br)cnn1C)[N+](=O)[O-] ZINC000835453812 819581832 /nfs/dbraw/zinc/58/18/32/819581832.db2.gz GUAYYSNDJXPXJW-YFKPBYRVSA-N 0 3 292.089 1.005 20 5 CDBDHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000923316558 819673467 /nfs/dbraw/zinc/67/34/67/819673467.db2.gz VZPUFRJUXBJYMS-GXTWGEPZSA-N 0 3 289.335 1.904 20 5 CDBDHN C[C@H](N)c1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000311645737 820393761 /nfs/dbraw/zinc/39/37/61/820393761.db2.gz CXZNQSIFFHDDBM-ZETCQYMHSA-N 0 3 265.248 1.393 20 5 CDBDHN CCOc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000813106797 820854497 /nfs/dbraw/zinc/85/44/97/820854497.db2.gz IAAZBSPGULXWJW-QMMMGPOBSA-N 0 3 298.251 1.816 20 5 CDBDHN Cc1c(CNCC[S@](C)=O)cccc1[N+](=O)[O-] ZINC000158094984 820855849 /nfs/dbraw/zinc/85/58/49/820855849.db2.gz FADQNSADARZKLP-QGZVFWFLSA-N 0 3 256.327 1.371 20 5 CDBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](C)C(=O)N(C)C ZINC000866303676 820883612 /nfs/dbraw/zinc/88/36/12/820883612.db2.gz VXKDTZKCRJONKO-NXEZZACHSA-N 0 3 297.330 1.731 20 5 CDBDHN C[C@@H](O)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000847092358 821218517 /nfs/dbraw/zinc/21/85/17/821218517.db2.gz DPIBLAOQGUVLHU-QMTHXVAHSA-N 0 3 280.324 1.473 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H]2CO)cc1 ZINC000776578085 822646520 /nfs/dbraw/zinc/64/65/20/822646520.db2.gz DGBMBZPQSGZUPQ-OLZOCXBDSA-N 0 3 266.297 1.085 20 5 CDBDHN COC[C@H](CCO)NCc1cccc([N+](=O)[O-])c1C ZINC000228342372 911884134 /nfs/dbraw/zinc/88/41/34/911884134.db2.gz HUWRDYPQNIESME-LBPRGKRZSA-N 0 3 268.313 1.390 20 5 CDBDHN NCc1ccc(N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168990504 927629303 /nfs/dbraw/zinc/62/93/03/927629303.db2.gz ZTIHRDLNFHJJEA-VHSXEESVSA-N 0 3 250.302 1.398 20 5 CDBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3ncsc3C2)C1 ZINC001169033306 927641075 /nfs/dbraw/zinc/64/10/75/927641075.db2.gz BSXMGTCTBLXWOB-VHSXEESVSA-N 0 3 267.354 1.947 20 5 CDBDHN NCc1cnnn1-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001169310147 927945684 /nfs/dbraw/zinc/94/56/84/927945684.db2.gz BMUVVPAXKBHSAX-UHFFFAOYSA-N 0 3 288.242 1.322 20 5 CDBDHN Cc1cc(NC(=O)N2CCN3CC[C@H]2C3)ccc1[N+](=O)[O-] ZINC001123415245 936159467 /nfs/dbraw/zinc/15/94/67/936159467.db2.gz OYIXMUBVQSNLTG-LBPRGKRZSA-N 0 3 290.323 1.825 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(N2CCN[C@H](c3ccccc3)C2)n1 ZINC001157758696 938542026 /nfs/dbraw/zinc/54/20/26/938542026.db2.gz CSOGRSIXABHCIO-ZDUSSCGKSA-N 0 3 299.334 1.844 20 5 CDBDHN CN1CCN(C(=N)Nc2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001157910807 938561370 /nfs/dbraw/zinc/56/13/70/938561370.db2.gz RGGSPVCMOFNRBF-UHFFFAOYSA-N 0 3 298.734 1.237 20 5 CDBDHN COc1nc(-n2ccc([C@H](C)N)n2)ccc1[N+](=O)[O-] ZINC001158348195 938611730 /nfs/dbraw/zinc/61/17/30/938611730.db2.gz CWLLQUHGVQDJLU-ZETCQYMHSA-N 0 3 263.257 1.204 20 5 CDBDHN COc1cc(C)nc(N2CCNC3(CC3)C2)c1[N+](=O)[O-] ZINC001158936348 938680240 /nfs/dbraw/zinc/68/02/40/938680240.db2.gz CZXBPCSOGNXAID-UHFFFAOYSA-N 0 3 278.312 1.249 20 5 CDBDHN NCc1cc(-c2ccncc2)nn1-c1cc([N+](=O)[O-])ccn1 ZINC001160337474 938781645 /nfs/dbraw/zinc/78/16/45/938781645.db2.gz FEAOPDCVGTWBGQ-UHFFFAOYSA-N 0 3 296.290 1.696 20 5 CDBDHN [NH3+]CCON=c1[n-]c2cc([N+](=O)[O-])ccc2nc1Cl ZINC001164415180 939471812 /nfs/dbraw/zinc/47/18/12/939471812.db2.gz QCVHNWZFGMDYQF-UHFFFAOYSA-N 0 3 283.675 1.494 20 5 CDBDHN CCN1CC[C@@H](Oc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC001227046100 942120615 /nfs/dbraw/zinc/12/06/15/942120615.db2.gz FBKFHFAQJFWWEY-LLVKDONJSA-N 0 3 294.307 1.854 20 5 CDBDHN CC[NH+](CC)C[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693143 942205451 /nfs/dbraw/zinc/20/54/51/942205451.db2.gz MEZPYAMTDJOKAA-VIFPVBQESA-N 0 3 293.327 1.975 20 5 CDBDHN CCN1CCC(Oc2cnccc2[N+](=O)[O-])CC1 ZINC001228880039 942387622 /nfs/dbraw/zinc/38/76/22/942387622.db2.gz POZHKSANMBGXQP-UHFFFAOYSA-N 0 3 251.286 1.853 20 5 CDBDHN CCN1CC[C@@H](Oc2cccc([N+](=O)[O-])c2C(=O)OC)C1 ZINC001229044414 942411894 /nfs/dbraw/zinc/41/18/94/942411894.db2.gz HBQNSQGSQLIIOX-SNVBAGLBSA-N 0 3 294.307 1.854 20 5 CDBDHN CC(C)(C)c1csc(CCNCC[N+](=O)[O-])n1 ZINC001262489720 946682390 /nfs/dbraw/zinc/68/23/90/946682390.db2.gz HCJZWSBUFROCKH-UHFFFAOYSA-N 0 3 257.359 1.849 20 5 CDBDHN CC[C@@](N)(CO)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539002 947515788 /nfs/dbraw/zinc/51/57/88/947515788.db2.gz AILKIIQGUTYNCT-MFKMUULPSA-N 0 3 267.329 1.173 20 5 CDBDHN Cc1cc(CN)nn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572452 947532621 /nfs/dbraw/zinc/53/26/21/947532621.db2.gz NVTAOKMICLRHJM-AWEZNQCLSA-N 0 3 272.308 1.898 20 5 CDBDHN CN(C)CCONC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001328691227 955417462 /nfs/dbraw/zinc/41/74/62/955417462.db2.gz IYSCHRMPSNTTBS-UHFFFAOYSA-N 0 3 296.327 1.006 20 5 CDBDHN Cc1c(CC(=O)[N-]OCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC001330818801 956648468 /nfs/dbraw/zinc/64/84/68/956648468.db2.gz HFUFXKUFKARQMU-UHFFFAOYSA-N 0 3 281.312 1.055 20 5 CDBDHN CN1CCCC[C@@H]1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001336745042 960535341 /nfs/dbraw/zinc/53/53/41/960535341.db2.gz LNPHJURYDMTCDQ-LLVKDONJSA-N 0 3 271.361 1.422 20 5 CDBDHN CC(C)OCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591760439 342644235 /nfs/dbraw/zinc/64/42/35/342644235.db2.gz FWHKUCKLKWDHOJ-CYBMUJFWSA-N 0 3 298.339 1.349 20 5 CDBDHN CC(C)(NC[C@@H]1CCC(=O)N1)c1ccccc1[N+](=O)[O-] ZINC000593028764 342759570 /nfs/dbraw/zinc/75/95/70/342759570.db2.gz BWDXZTLWUGRHOV-JTQLQIEISA-N 0 3 277.324 1.698 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000170856064 361907930 /nfs/dbraw/zinc/90/79/30/361907930.db2.gz YVGWMXUNTQAXBW-SECBINFHSA-N 0 3 296.302 1.140 20 5 CDBDHN COc1ccc(CN[C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593690167 342823448 /nfs/dbraw/zinc/82/34/48/342823448.db2.gz STBJPROUOMKEDZ-SNVBAGLBSA-N 0 3 272.276 1.414 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1COCCN1 ZINC000600677056 342241922 /nfs/dbraw/zinc/24/19/22/342241922.db2.gz AWABPRRRWZVFAW-GFCCVEGCSA-N 0 3 295.339 1.072 20 5 CDBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc([N+](=O)[O-])n[nH]1 ZINC000594417707 342902872 /nfs/dbraw/zinc/90/28/72/342902872.db2.gz FENLUEFNKXDNAH-KOLCDFICSA-N 0 3 293.327 1.065 20 5 CDBDHN Cc1noc(CN2CC[C@@H](N3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595497472 343077812 /nfs/dbraw/zinc/07/78/12/343077812.db2.gz OITRUTALMNJLSK-NWDGAFQWSA-N 0 3 294.355 1.950 20 5 CDBDHN C[C@H](Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O)N(C)C ZINC000565774109 365719679 /nfs/dbraw/zinc/71/96/79/365719679.db2.gz IDWDAGGNYXZVTB-SECBINFHSA-N 0 3 292.295 1.362 20 5 CDBDHN CC[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000596072846 343225577 /nfs/dbraw/zinc/22/55/77/343225577.db2.gz AGHDBPRUGQKKSD-SNVBAGLBSA-N 0 3 280.328 1.982 20 5 CDBDHN O=c1[n-]ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596079351 343227188 /nfs/dbraw/zinc/22/71/88/343227188.db2.gz OYTVJCIYESPRAJ-SECBINFHSA-N 0 3 278.312 1.592 20 5 CDBDHN O=c1[n-]ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000596079351 343227190 /nfs/dbraw/zinc/22/71/90/343227190.db2.gz OYTVJCIYESPRAJ-SECBINFHSA-N 0 3 278.312 1.592 20 5 CDBDHN C[NH+](C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596114717 343231392 /nfs/dbraw/zinc/23/13/92/343231392.db2.gz NMSSKRIIHKNAGF-JTQLQIEISA-N 0 3 266.301 1.448 20 5 CDBDHN CS[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1N(C)C ZINC000596177996 343248829 /nfs/dbraw/zinc/24/88/29/343248829.db2.gz KHMDAVBJCQUKSR-ZJUUUORDSA-N 0 3 297.384 1.054 20 5 CDBDHN C[NH+]1CCC(C)(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596190448 343252869 /nfs/dbraw/zinc/25/28/69/343252869.db2.gz ZVQKWCFRKJGNNN-UHFFFAOYSA-N 0 3 280.328 1.839 20 5 CDBDHN Nc1ccc(N[C@H]2CCCN3CCCC[C@H]23)nc1[N+](=O)[O-] ZINC000596298618 343291805 /nfs/dbraw/zinc/29/18/05/343291805.db2.gz YXEIUGGHOIVMCL-NWDGAFQWSA-N 0 3 291.355 1.423 20 5 CDBDHN CC(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000050990521 342447575 /nfs/dbraw/zinc/44/75/75/342447575.db2.gz RJECZNXZXOTQSM-UHFFFAOYSA-N 0 3 291.351 1.738 20 5 CDBDHN C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000598645361 343855563 /nfs/dbraw/zinc/85/55/63/343855563.db2.gz HVSCVSQZSSQVSA-QWHCGFSZSA-N 0 3 294.351 1.924 20 5 CDBDHN C[NH2+]C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000598633468 343849584 /nfs/dbraw/zinc/84/95/84/343849584.db2.gz OJYOARXXHHQQFT-UHFFFAOYSA-N 0 3 252.274 1.249 20 5 CDBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000599023148 343941498 /nfs/dbraw/zinc/94/14/98/343941498.db2.gz QSJAFHMIDZRKNE-UHFFFAOYSA-N 0 3 273.283 1.881 20 5 CDBDHN COC[C@@H](O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000231607315 362319031 /nfs/dbraw/zinc/31/90/31/362319031.db2.gz NKANSVAHPHKPHN-LBPRGKRZSA-N 0 3 254.286 1.082 20 5 CDBDHN CN(C)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000540842519 362331291 /nfs/dbraw/zinc/33/12/91/362331291.db2.gz AUBFCMLCRFYMSX-UHFFFAOYSA-N 0 3 299.302 1.042 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H]1CCCCO1 ZINC000602761863 344583370 /nfs/dbraw/zinc/58/33/70/344583370.db2.gz BMERCZWFZXULIW-GFCCVEGCSA-N 0 3 282.344 1.601 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C2CCC1CC2 ZINC000602763747 344583912 /nfs/dbraw/zinc/58/39/12/344583912.db2.gz SJBCKXOTYHFOJT-UHFFFAOYSA-N 0 3 250.302 1.727 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](CO)c1ccccc1 ZINC000602796757 344588115 /nfs/dbraw/zinc/58/81/15/344588115.db2.gz CQBZAOZQZFTLKR-ZDUSSCGKSA-N 0 3 290.323 1.423 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)C[C@@H]1C(C)C ZINC000602831482 344614397 /nfs/dbraw/zinc/61/43/97/344614397.db2.gz IIWMPLSRJOFGFK-CYBMUJFWSA-N 0 3 295.387 1.372 20 5 CDBDHN CC[C@@]1(O)CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000602981598 344674009 /nfs/dbraw/zinc/67/40/09/344674009.db2.gz GOLMJJDOJPZFJJ-GFCCVEGCSA-N 0 3 268.317 1.028 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H](CCO)CC1 ZINC000602846133 344624043 /nfs/dbraw/zinc/62/40/43/344624043.db2.gz NAOBDKCAUBJWBA-CYBMUJFWSA-N 0 3 296.371 1.584 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CSCCN1 ZINC000603420623 344799743 /nfs/dbraw/zinc/79/97/43/344799743.db2.gz VCZNNQLFXNGGRQ-SECBINFHSA-N 0 3 271.317 1.851 20 5 CDBDHN C[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086467557 179297548 /nfs/dbraw/zinc/29/75/48/179297548.db2.gz OFIOEXIBSHLNBX-IUCAKERBSA-N 0 3 281.287 1.556 20 5 CDBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000060846942 348898759 /nfs/dbraw/zinc/89/87/59/348898759.db2.gz MTNJJZWKRBPFPX-UHFFFAOYSA-N 0 3 264.329 1.768 20 5 CDBDHN CCN1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266093364 362939304 /nfs/dbraw/zinc/93/93/04/362939304.db2.gz JBKOWCCJEVDAKU-UHFFFAOYSA-N 0 3 291.351 1.692 20 5 CDBDHN COC[C@@H](O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090949673 180072010 /nfs/dbraw/zinc/07/20/10/180072010.db2.gz UDQSBWWDMZQRRT-YPMHNXCESA-N 0 3 282.340 1.951 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCN(C)C2)c1 ZINC000110652168 186311529 /nfs/dbraw/zinc/31/15/29/186311529.db2.gz BFCAHLCZGMXSQX-JTQLQIEISA-N 0 3 293.323 1.285 20 5 CDBDHN CN(C[C@H](O)CNCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000312577155 350786279 /nfs/dbraw/zinc/78/62/79/350786279.db2.gz ABUCQTYCTKETEN-CQSZACIVSA-N 0 3 279.340 1.140 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCn1cccn1 ZINC000111279678 186388197 /nfs/dbraw/zinc/38/81/97/186388197.db2.gz HNRUVFZUPOJYNC-UHFFFAOYSA-N 0 3 290.323 1.802 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@]1(O)CCOC1 ZINC000516583620 363155123 /nfs/dbraw/zinc/15/51/23/363155123.db2.gz DOPVDZHQCJTDGP-GXTWGEPZSA-N 0 3 278.308 1.323 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](CO)C1 ZINC000157156540 188300883 /nfs/dbraw/zinc/30/08/83/188300883.db2.gz UNMQIVQURPTKMP-GFCCVEGCSA-N 0 3 280.324 1.678 20 5 CDBDHN C[C@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090520408 358479594 /nfs/dbraw/zinc/47/95/94/358479594.db2.gz HRGNRKFXKRZYTR-LBPRGKRZSA-N 0 3 279.340 1.879 20 5 CDBDHN COC[C@@H](O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000304240687 355924708 /nfs/dbraw/zinc/92/47/08/355924708.db2.gz RXLLPMNPHSWIHW-FUEXJSSKSA-N 0 3 266.297 1.205 20 5 CDBDHN CN1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000408076528 357806233 /nfs/dbraw/zinc/80/62/33/357806233.db2.gz KBIYVBOCEXCCRA-UHFFFAOYSA-N 0 3 293.327 1.018 20 5 CDBDHN CN1CCC2(CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000408066794 357809324 /nfs/dbraw/zinc/80/93/24/357809324.db2.gz CUHKTTOHIBCCNN-UHFFFAOYSA-N 0 3 292.339 1.623 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CC[C@H](O)C2)cs1 ZINC000188816013 357940741 /nfs/dbraw/zinc/94/07/41/357940741.db2.gz IIYPIHWPNOQMCF-SCZZXKLOSA-N 0 3 256.327 1.907 20 5 CDBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000361662665 358409800 /nfs/dbraw/zinc/40/98/00/358409800.db2.gz RBDZWIOATITVRA-JQWIXIFHSA-N 0 3 250.298 1.655 20 5 CDBDHN CC[C@H]1CN(CC)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000451729141 359073732 /nfs/dbraw/zinc/07/37/32/359073732.db2.gz JJGQRPCULIYISN-LBPRGKRZSA-N 0 3 281.360 1.207 20 5 CDBDHN CCN(C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000112926877 359366832 /nfs/dbraw/zinc/36/68/32/359366832.db2.gz ZTJCQMVFVFRHFL-UHFFFAOYSA-N 0 3 291.311 1.153 20 5 CDBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCOC1 ZINC000348150323 360525075 /nfs/dbraw/zinc/52/50/75/360525075.db2.gz XWDBCMMKRABMFE-VHSXEESVSA-N 0 3 268.317 1.233 20 5 CDBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCNCC2)c1 ZINC000237332828 361258371 /nfs/dbraw/zinc/25/83/71/361258371.db2.gz QLYDMRRJWOKJMV-UHFFFAOYSA-N 0 3 295.364 1.752 20 5 CDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000287228182 291283414 /nfs/dbraw/zinc/28/34/14/291283414.db2.gz QOHMGUOTRRSVFY-UWVGGRQHSA-N 0 3 293.327 1.017 20 5 CDBDHN Cn1cc(C(C)(C)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC000545292327 363860648 /nfs/dbraw/zinc/86/06/48/363860648.db2.gz HEKDEIFMWJPKCP-UHFFFAOYSA-N 0 3 278.316 1.050 20 5 CDBDHN CC(C)CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174811968 364571067 /nfs/dbraw/zinc/57/10/67/364571067.db2.gz BPYSASZUTKDCPF-UHFFFAOYSA-N 0 3 281.360 1.065 20 5 CDBDHN CC[C@@](C)(NCCOc1ccccc1[N+](=O)[O-])C(N)=O ZINC000133671582 365174723 /nfs/dbraw/zinc/17/47/23/365174723.db2.gz FCIRPCNYVFPFBD-CYBMUJFWSA-N 0 3 281.312 1.217 20 5 CDBDHN C[C@@H]1CCC[C@H](CO)N1CCn1ccc([N+](=O)[O-])n1 ZINC000270507530 366891535 /nfs/dbraw/zinc/89/15/35/366891535.db2.gz RDQTXXRJTFZRPD-GHMZBOCLSA-N 0 3 268.317 1.027 20 5 CDBDHN Cc1ccc(NC(=O)N[C@@H](C)CN(C)C)cc1[N+](=O)[O-] ZINC000287050180 369072272 /nfs/dbraw/zinc/07/22/72/369072272.db2.gz SQJXRICUABBBNE-JTQLQIEISA-N 0 3 280.328 1.975 20 5 CDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330726908 203160887 /nfs/dbraw/zinc/16/08/87/203160887.db2.gz FVYSXIOZFPXNHN-SNVBAGLBSA-N 0 3 294.355 1.725 20 5 CDBDHN C[C@H](CNC(=O)CN(C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000266276576 371995300 /nfs/dbraw/zinc/99/53/00/371995300.db2.gz SDNANKJWKCARQK-LLVKDONJSA-N 0 3 294.355 1.097 20 5 CDBDHN COC(=O)[C@@H](C)CN(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000177024940 372773429 /nfs/dbraw/zinc/77/34/29/372773429.db2.gz ZXHRYPBREGTVMZ-JTQLQIEISA-N 0 3 296.327 1.065 20 5 CDBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000298442412 373601783 /nfs/dbraw/zinc/60/17/83/373601783.db2.gz WLDVZSNFUXOKPN-SECBINFHSA-N 0 3 266.301 1.666 20 5 CDBDHN COc1ccc(OCCN(C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000266534319 373958447 /nfs/dbraw/zinc/95/84/47/373958447.db2.gz NETOWQZGWYECKI-LLVKDONJSA-N 0 3 296.323 1.703 20 5 CDBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1(C(N)=O)CC1 ZINC000449239409 374794161 /nfs/dbraw/zinc/79/41/61/374794161.db2.gz JJKLXGFLIYCASG-VIFPVBQESA-N 0 3 263.297 1.133 20 5 CDBDHN CC1=C(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000280488706 374997946 /nfs/dbraw/zinc/99/79/46/374997946.db2.gz BAIQFYAOXPAZQH-CYBMUJFWSA-N 0 3 280.328 1.194 20 5 CDBDHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000131200268 375188182 /nfs/dbraw/zinc/18/81/82/375188182.db2.gz KACYJKDMYCBKMM-UHFFFAOYSA-N 0 3 265.313 1.629 20 5 CDBDHN C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351938038 375342699 /nfs/dbraw/zinc/34/26/99/375342699.db2.gz WTNIJYUSUPFNAK-OLZOCXBDSA-N 0 3 293.367 1.998 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCC(=O)NC1 ZINC000344846459 375620163 /nfs/dbraw/zinc/62/01/63/375620163.db2.gz IVUFQZQJUKRPAM-HJTPGIPUSA-N 0 3 289.335 1.866 20 5 CDBDHN CSC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000217848022 375748885 /nfs/dbraw/zinc/74/88/85/375748885.db2.gz KCWOTCOQTUYSHF-LBPRGKRZSA-N 0 3 270.354 1.798 20 5 CDBDHN C[C@@H](NC[C@@]1(O)CCN(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358258331 375959178 /nfs/dbraw/zinc/95/91/78/375959178.db2.gz SXUXUVWNEVBUHP-RISCZKNCSA-N 0 3 279.340 1.312 20 5 CDBDHN C[C@@H](c1ccco1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173583457 378669291 /nfs/dbraw/zinc/66/92/91/378669291.db2.gz GGBFAOMMHQROCV-JQWIXIFHSA-N 0 3 294.311 1.438 20 5 CDBDHN COc1ccc(OCCN2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000173577459 378645428 /nfs/dbraw/zinc/64/54/28/378645428.db2.gz YOZVUXOEZUKSHK-LLVKDONJSA-N 0 3 296.323 1.439 20 5 CDBDHN CCc1ccc(C(=O)NCCN(C)CC)cc1[N+](=O)[O-] ZINC000174232083 379398644 /nfs/dbraw/zinc/39/86/44/379398644.db2.gz JDWPOPAPYOKSJV-UHFFFAOYSA-N 0 3 279.340 1.839 20 5 CDBDHN Cc1nc(N[C@@H]2CCCN(C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000450435726 251282135 /nfs/dbraw/zinc/28/21/35/251282135.db2.gz IDSXQOUFLKRVNY-VHSXEESVSA-N 0 3 265.317 1.588 20 5 CDBDHN O=[N+]([O-])c1cnc(N2CC[C@H](N3CCCC3)C2)nc1 ZINC000302123245 285176763 /nfs/dbraw/zinc/17/67/63/285176763.db2.gz VEYUCLDAFRGLLT-JTQLQIEISA-N 0 3 263.301 1.059 20 5 CDBDHN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCN1C ZINC000288458098 197084626 /nfs/dbraw/zinc/08/46/26/197084626.db2.gz UCGXWXWMOAEAFM-CQSZACIVSA-N 0 3 291.351 1.690 20 5 CDBDHN COC[C@@]1(C)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451202783 390604904 /nfs/dbraw/zinc/60/49/04/390604904.db2.gz PPNLVTVGVJDKDF-LBPRGKRZSA-N 0 3 268.317 1.150 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H]1CC[C@@H](CO)O1 ZINC000517406045 391125557 /nfs/dbraw/zinc/12/55/57/391125557.db2.gz SGWRIOSHRFCDRS-JRFBKZHLSA-N 0 3 292.335 1.738 20 5 CDBDHN CN1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])s2)C1 ZINC000248891156 391483726 /nfs/dbraw/zinc/48/37/26/391483726.db2.gz AZHGJHIJSSFLIN-VHSXEESVSA-N 0 3 282.369 1.972 20 5 CDBDHN CCC[C@](C)(N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000262702419 131252347 /nfs/dbraw/zinc/25/23/47/131252347.db2.gz JJKWHCYIIOQOGQ-AWEZNQCLSA-N 0 3 279.340 1.771 20 5 CDBDHN CCN(CCNC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000263789647 131331430 /nfs/dbraw/zinc/33/14/30/131331430.db2.gz WZBDJJUXJUPQKS-UHFFFAOYSA-N 0 3 283.353 1.870 20 5 CDBDHN CN(C)C1CN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000270884758 392510865 /nfs/dbraw/zinc/51/08/65/392510865.db2.gz PLABRSNAXINRNY-UHFFFAOYSA-N 0 3 255.705 1.998 20 5 CDBDHN CCC[C@@H](O)[C@H](CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000419832647 392897606 /nfs/dbraw/zinc/89/76/06/392897606.db2.gz VOYFAKSLWDDUGI-GXTWGEPZSA-N 0 3 282.340 1.515 20 5 CDBDHN Cc1c(C(=O)NCCN2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000524719863 392918171 /nfs/dbraw/zinc/91/81/71/392918171.db2.gz NQURVYQCBRRUOQ-NSHDSACASA-N 0 3 291.351 1.975 20 5 CDBDHN Cc1c(CC(=O)N2CCN[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000423622905 392965235 /nfs/dbraw/zinc/96/52/35/392965235.db2.gz ZQHIYMANGSLCDJ-VXGBXAGGSA-N 0 3 291.351 1.655 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CNCCC1(F)F ZINC000449656428 393137501 /nfs/dbraw/zinc/13/75/01/393137501.db2.gz KUKQTPUFBBDXEH-NSHDSACASA-N 0 3 299.277 1.630 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(C(N)=O)C1 ZINC000280805073 393152130 /nfs/dbraw/zinc/15/21/30/393152130.db2.gz SMGMEHRUQAKZJX-YGRLFVJLSA-N 0 3 277.324 1.853 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCn3ccnc3C2)c1 ZINC000494445444 393233113 /nfs/dbraw/zinc/23/31/13/393233113.db2.gz QSQPTKAWYFGPEO-LBPRGKRZSA-N 0 3 272.308 1.896 20 5 CDBDHN COc1cc(NC[C@@H]2CNCCO2)c(F)cc1[N+](=O)[O-] ZINC000227861042 140188791 /nfs/dbraw/zinc/18/87/91/140188791.db2.gz WWQGBHNMNSKSGX-QMMMGPOBSA-N 0 3 285.275 1.143 20 5 CDBDHN Cc1ccc(CNC[C@H]2CC[C@H](CO)O2)cc1[N+](=O)[O-] ZINC000353709909 156032626 /nfs/dbraw/zinc/03/26/26/156032626.db2.gz SQWBABMWSRBSQI-CHWSQXEVSA-N 0 3 280.324 1.533 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCN1C ZINC000359025480 158102651 /nfs/dbraw/zinc/10/26/51/158102651.db2.gz DXNQQXMEQRFYBJ-VHSXEESVSA-N 0 3 293.327 1.016 20 5 CDBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000359059623 158114867 /nfs/dbraw/zinc/11/48/67/158114867.db2.gz HCOCCCWMZOXAJS-JTQLQIEISA-N 0 3 292.339 1.670 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC3(C2)CCCCC3)c1 ZINC000363981150 159360975 /nfs/dbraw/zinc/36/09/75/159360975.db2.gz ZZCPYFORXOJMHX-CYBMUJFWSA-N 0 3 294.355 1.418 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007960751 170309915 /nfs/dbraw/zinc/30/99/15/170309915.db2.gz NPKOIUBWEGZBEA-CYBMUJFWSA-N 0 3 277.324 1.809 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](O)C2)c1 ZINC000046055621 175391447 /nfs/dbraw/zinc/39/14/47/175391447.db2.gz HNSXDTBGXQJQGO-LBPRGKRZSA-N 0 3 266.297 1.430 20 5 CDBDHN C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)N1CCCC1 ZINC000521848622 260219669 /nfs/dbraw/zinc/21/96/69/260219669.db2.gz OYFZIOMVHQEPCR-SNVBAGLBSA-N 0 3 295.314 1.948 20 5 CDBDHN CC1(C)CN(c2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000212819194 276135630 /nfs/dbraw/zinc/13/56/30/276135630.db2.gz GJDFJBUKHUOQOO-UHFFFAOYSA-N 0 3 253.277 1.922 20 5 CDBDHN CC[C@@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000569344254 294188546 /nfs/dbraw/zinc/18/85/46/294188546.db2.gz BZCUEKZUACFGJM-CYBMUJFWSA-N 0 3 277.324 1.823 20 5 CDBDHN C[C@@H]1C[C@@H](C)CN(CCn2nccc2[N+](=O)[O-])C1 ZINC000581835577 324842967 /nfs/dbraw/zinc/84/29/67/324842967.db2.gz DXLFELYCUNDRPZ-GHMZBOCLSA-N 0 3 252.318 1.769 20 5 CDBDHN CC[C@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582617419 325011625 /nfs/dbraw/zinc/01/16/25/325011625.db2.gz VYIDZPXRFZGAKB-SKDRFNHKSA-N 0 3 250.298 1.943 20 5 CDBDHN Cc1c(C(=O)N2C[C@@H](C)NC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000086467875 518185864 /nfs/dbraw/zinc/18/58/64/518185864.db2.gz RIUULCSXCJMKIE-ZJUUUORDSA-N 0 3 277.324 1.726 20 5 CDBDHN CCC[C@@](C)(N)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000052943256 520918035 /nfs/dbraw/zinc/91/80/35/520918035.db2.gz UEZCUNIQFNHVLB-CYBMUJFWSA-N 0 3 265.313 1.729 20 5 CDBDHN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000068192830 523849641 /nfs/dbraw/zinc/84/96/41/523849641.db2.gz SDZXTWCYPAFLML-UHFFFAOYSA-N 0 3 291.351 1.690 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N(C)C1CC1 ZINC000184369820 524460742 /nfs/dbraw/zinc/46/07/42/524460742.db2.gz WJYYUDHNFVCOOI-SECBINFHSA-N 0 3 292.339 1.390 20 5 CDBDHN C[C@H](NCCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000148731148 525373324 /nfs/dbraw/zinc/37/33/24/525373324.db2.gz MALDCJZVIPRHOO-JTQLQIEISA-N 0 3 275.312 1.617 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCCCO)C2)nc1 ZINC000304311081 534882058 /nfs/dbraw/zinc/88/20/58/534882058.db2.gz MBHADFVBHAOJPE-GFCCVEGCSA-N 0 3 294.355 1.639 20 5 CDBDHN COc1ccc(CNCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000095016026 536893148 /nfs/dbraw/zinc/89/31/48/536893148.db2.gz QRSCHZWCNYXAQB-UHFFFAOYSA-N 0 3 291.311 1.064 20 5 CDBDHN CCN1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000159314756 545541011 /nfs/dbraw/zinc/54/10/11/545541011.db2.gz ZPELHJODQMRPSC-UHFFFAOYSA-N 0 3 250.302 1.886 20 5 CDBDHN C[NH+]1CCC(O[N-]C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000773550276 575823744 /nfs/dbraw/zinc/82/37/44/575823744.db2.gz ACKJOWDNNMXBLH-UHFFFAOYSA-N 0 3 297.286 1.490 20 5 CDBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)[C@@H](C)CN1C ZINC000768526615 576292940 /nfs/dbraw/zinc/29/29/40/576292940.db2.gz OFIDXKVALVSSFK-IUCAKERBSA-N 0 3 291.311 1.660 20 5 CDBDHN CC(COC(=O)c1cc(=O)[nH]c(C2CC2)c1)[N+](=O)[O-] ZINC000813103362 617342370 /nfs/dbraw/zinc/34/23/70/617342370.db2.gz PGVSRGAPMHYXAU-ZETCQYMHSA-N 0 3 266.253 1.487 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C2CCOCC2)c1[N+](=O)[O-] ZINC000892629470 617546745 /nfs/dbraw/zinc/54/67/45/617546745.db2.gz UNNOMCIDNJGNJQ-UHFFFAOYSA-N 0 3 282.296 1.578 20 5 CDBDHN COC[C@H](C)C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000892729928 617667771 /nfs/dbraw/zinc/66/77/71/617667771.db2.gz COXPYQZDYNQCFH-SECBINFHSA-N 0 3 284.312 1.681 20 5 CDBDHN COc1c(O)ccc(CN[C@]2(C)CCCOC2)c1[N+](=O)[O-] ZINC000893392498 617783613 /nfs/dbraw/zinc/78/36/13/617783613.db2.gz JAHOVLYOIJEBIR-CQSZACIVSA-N 0 3 296.323 1.968 20 5 CDBDHN COc1c(O)ccc(CNCC2(OC)CCC2)c1[N+](=O)[O-] ZINC000893469061 617959945 /nfs/dbraw/zinc/95/99/45/617959945.db2.gz UNBFRTPIJJTRKJ-UHFFFAOYSA-N 0 3 296.323 1.968 20 5 CDBDHN CN(C)[C@H](CNCC[N+](=O)[O-])c1cccc(F)c1 ZINC000899858720 622485977 /nfs/dbraw/zinc/48/59/77/622485977.db2.gz ACQCNXVAOQSWSC-GFCCVEGCSA-N 0 3 255.293 1.295 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCN1C ZINC000903314841 625970078 /nfs/dbraw/zinc/97/00/78/625970078.db2.gz CDQYXYYWWGFDFM-PWSUYJOCSA-N 0 3 279.340 1.958 20 5 CDBDHN CC(C)[C@H](CNCC[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000905121686 626632206 /nfs/dbraw/zinc/63/22/06/626632206.db2.gz FMJAUYHSKHGKKK-JTQLQIEISA-N 0 3 275.349 1.402 20 5 CDBDHN CC(C)(CO)[C@@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000905178710 626663026 /nfs/dbraw/zinc/66/30/26/626663026.db2.gz CIXLIFLQFYTRHB-ZDUSSCGKSA-N 0 3 266.341 1.655 20 5 CDBDHN O=C(N[C@@H]1CCCC[C@H]1NCC[N+](=O)[O-])c1ccccc1 ZINC000905384256 626779993 /nfs/dbraw/zinc/77/99/93/626779993.db2.gz VKOUUDNFWVWBKY-ZIAGYGMSSA-N 0 3 291.351 1.594 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CNC/C=C/Cl)c1 ZINC000905708727 626935033 /nfs/dbraw/zinc/93/50/33/626935033.db2.gz SJKYZTCUZJJJDN-XGQHYKRYSA-N 0 3 256.689 1.970 20 5 CDBDHN CCOc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H]1CNCCO1 ZINC001170568754 1162947778 /nfs/dbraw/zinc/94/77/78/1162947778.db2.gz PBIVNVRYIIRDGF-YGRLFVJLSA-N 0 3 295.339 1.782 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H]1COCCN1 ZINC001579734885 1172249978 /nfs/dbraw/zinc/24/99/78/1172249978.db2.gz RHCKJOVJUPMJNT-GFCCVEGCSA-N 0 3 279.340 1.290 20 5 CDBDHN N[C@H](C(=O)Nc1cc([N+](=O)[O-])n[nH]1)C1CCCCC1 ZINC001580115470 1172350869 /nfs/dbraw/zinc/35/08/69/1172350869.db2.gz XHLUUJUWLVHLOA-JTQLQIEISA-N 0 3 267.289 1.164 20 5 CDBDHN COc1ccc2c(c1)OC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C2 ZINC000813109950 1163815577 /nfs/dbraw/zinc/81/55/77/1163815577.db2.gz QNHQDQPYUDEVMH-ONGXEEELSA-N 0 3 295.291 1.455 20 5 CDBDHN Cc1cc(-n2cncn2)ccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813108659 823833669 /nfs/dbraw/zinc/83/36/69/823833669.db2.gz JJJRJNYFJGELLC-SNVBAGLBSA-N 0 3 290.279 1.398 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1C ZINC000884418539 824162292 /nfs/dbraw/zinc/16/22/92/824162292.db2.gz MNHQKQOCFNAXMN-GHMZBOCLSA-N 0 3 295.314 1.723 20 5 CDBDHN CC(=O)N1CCc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc21 ZINC000813109285 824433705 /nfs/dbraw/zinc/43/37/05/824433705.db2.gz HPABXQDLOLUJBL-SECBINFHSA-N 0 3 292.291 1.418 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](N)CC1CC1 ZINC000311751524 824434484 /nfs/dbraw/zinc/43/44/84/824434484.db2.gz ZEWKKCRUQOAPMS-LLVKDONJSA-N 0 3 263.297 1.969 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCC[C@H]2CCO)c1 ZINC000250065036 824638802 /nfs/dbraw/zinc/63/88/02/824638802.db2.gz WSJQFUPXSPNJIQ-DZGCQCFKSA-N 0 3 294.351 1.865 20 5 CDBDHN Cc1cc2c(cc1C)[C@@H](C(=O)OCC(C)[N+](=O)[O-])CO2 ZINC000813114917 824811997 /nfs/dbraw/zinc/81/19/97/824811997.db2.gz XSKLMYDEJQDLHY-PWSUYJOCSA-N 0 3 279.292 1.988 20 5 CDBDHN Cc1cccc(NCCN(C)CCOCCO)c1[N+](=O)[O-] ZINC000882950831 824904876 /nfs/dbraw/zinc/90/48/76/824904876.db2.gz CAZMHWBESFSEFM-UHFFFAOYSA-N 0 3 297.355 1.256 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN3CC[C@H]2C3)c(F)c1 ZINC000858557354 828718227 /nfs/dbraw/zinc/71/82/27/828718227.db2.gz MNUQVKZDCIPCIS-JTQLQIEISA-N 0 3 251.261 1.628 20 5 CDBDHN CCNC(=O)[C@@H](C)N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866217333 825356215 /nfs/dbraw/zinc/35/62/15/825356215.db2.gz XLKHAAJROBJRTD-VHSXEESVSA-N 0 3 297.330 1.779 20 5 CDBDHN CC(COC(=O)c1ccc2[nH]c(=O)oc2c1)[N+](=O)[O-] ZINC000813113731 825414579 /nfs/dbraw/zinc/41/45/79/825414579.db2.gz IHQITTPOKRJAMR-ZCFIWIBFSA-N 0 3 266.209 1.355 20 5 CDBDHN C[C@H](CCO)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844449987 825803412 /nfs/dbraw/zinc/80/34/12/825803412.db2.gz NMPXGQWPZPISPA-SECBINFHSA-N 0 3 256.277 1.937 20 5 CDBDHN CO[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000831535740 826403054 /nfs/dbraw/zinc/40/30/54/826403054.db2.gz ZJECXRDCRVGVDN-BYCMXARLSA-N 0 3 294.351 1.985 20 5 CDBDHN CC(=O)OC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000878295804 827852722 /nfs/dbraw/zinc/85/27/22/827852722.db2.gz WKIWOWLGCNKGEE-UHFFFAOYSA-N 0 3 296.327 1.127 20 5 CDBDHN CON(C)C(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830173212 827872883 /nfs/dbraw/zinc/87/28/83/827872883.db2.gz ULLNQEODIJRTLG-JTQLQIEISA-N 0 3 281.312 1.655 20 5 CDBDHN CC(COC(=O)c1cc(Br)n(C)n1)[N+](=O)[O-] ZINC000835455974 827887903 /nfs/dbraw/zinc/88/79/03/827887903.db2.gz RIWXCQDSFNFDBC-RXMQYKEDSA-N 0 3 292.089 1.005 20 5 CDBDHN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877018954 827889309 /nfs/dbraw/zinc/88/93/09/827889309.db2.gz CUPOSUHLEBBDNS-VIFPVBQESA-N 0 3 276.296 1.530 20 5 CDBDHN CN1CC[C@H](Nc2ccc3nc[nH]c3c2[N+](=O)[O-])C1 ZINC001167278426 895028271 /nfs/dbraw/zinc/02/82/71/895028271.db2.gz JYWIQDHJFQQNPY-QMMMGPOBSA-N 0 3 261.285 1.587 20 5 CDBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC001123439654 936161998 /nfs/dbraw/zinc/16/19/98/936161998.db2.gz GPTPKFVXXYLQEZ-UHFFFAOYSA-N 0 3 288.307 1.443 20 5 CDBDHN NCc1cn(-c2ncc3cccc([N+](=O)[O-])c3n2)cn1 ZINC001162298835 922210335 /nfs/dbraw/zinc/21/03/35/922210335.db2.gz QSXLFLVUVYZXRE-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN COC(=O)N(C)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000689525378 936761812 /nfs/dbraw/zinc/76/18/12/936761812.db2.gz LBCIGIMXJNNVEZ-UHFFFAOYSA-N 0 3 281.312 1.691 20 5 CDBDHN COC(=O)N(C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000689525309 936762031 /nfs/dbraw/zinc/76/20/31/936762031.db2.gz KDGINXZIHYTXQZ-SNVBAGLBSA-N 0 3 281.312 1.944 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2cc3ccccn3n2)C1 ZINC001169001648 927606247 /nfs/dbraw/zinc/60/62/47/927606247.db2.gz HDZUWJXBLDDONW-NEPJUHHUSA-N 0 3 274.324 1.869 20 5 CDBDHN Cc1cc(CN(C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)n(C)n1 ZINC001169027496 927632664 /nfs/dbraw/zinc/63/26/64/927632664.db2.gz QJACGIQJWIVYAD-NWDGAFQWSA-N 0 3 266.345 1.606 20 5 CDBDHN COc1cc(-n2ccc([C@@H](C)N)n2)cnc1[N+](=O)[O-] ZINC001169234511 927849620 /nfs/dbraw/zinc/84/96/20/927849620.db2.gz XSZZVGXCACWOLE-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN CC(C)(C)c1cnc(-n2nncc2CN)c([N+](=O)[O-])c1 ZINC001169308478 927942975 /nfs/dbraw/zinc/94/29/75/927942975.db2.gz NQGYOPBSKMNLFB-UHFFFAOYSA-N 0 3 276.300 1.327 20 5 CDBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001154079732 937501145 /nfs/dbraw/zinc/50/11/45/937501145.db2.gz MWWIONGBMZEFQY-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN NCc1cn(-c2cnc3cc([N+](=O)[O-])ccc3n2)cn1 ZINC001154907044 937602911 /nfs/dbraw/zinc/60/29/11/937602911.db2.gz SUKIRDSXBMNZIH-UHFFFAOYSA-N 0 3 270.252 1.182 20 5 CDBDHN CN1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001157272553 938473824 /nfs/dbraw/zinc/47/38/24/938473824.db2.gz OHBYWCWWRKCWSM-JOYOIKCWSA-N 0 3 277.328 1.102 20 5 CDBDHN Cc1nc(Nc2ccc(CN)nc2)ncc1[N+](=O)[O-] ZINC001160405717 938785232 /nfs/dbraw/zinc/78/52/32/938785232.db2.gz LJLVXPUYYJCDBZ-UHFFFAOYSA-N 0 3 260.257 1.291 20 5 CDBDHN NCc1cn(-c2ncc(F)c3cc([N+](=O)[O-])ccc32)cn1 ZINC001162298725 938973771 /nfs/dbraw/zinc/97/37/71/938973771.db2.gz NZDBADGFWYBMIR-UHFFFAOYSA-N 0 3 287.254 1.927 20 5 CDBDHN Cc1ncc([N+](=O)[O-])c(N[C@]2(C)CCCN(C)C2)n1 ZINC001162341663 939030892 /nfs/dbraw/zinc/03/08/92/939030892.db2.gz OAWGVZSPCKPUDN-GFCCVEGCSA-N 0 3 265.317 1.589 20 5 CDBDHN CC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163067426 939188794 /nfs/dbraw/zinc/18/87/94/939188794.db2.gz TYRUNNDIBDVTQQ-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN Cc1cc(CN)nn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001163977774 939367568 /nfs/dbraw/zinc/36/75/68/939367568.db2.gz ILSOSEZSAKMCFW-UHFFFAOYSA-N 0 3 272.268 1.424 20 5 CDBDHN CC(C)N1CCN(c2cc([N+](=O)[O-])ccn2)C[C@H]1C ZINC001165198976 939522705 /nfs/dbraw/zinc/52/27/05/939522705.db2.gz LMVBQAJICCILNL-LLVKDONJSA-N 0 3 264.329 1.909 20 5 CDBDHN CN1CC[C@@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224094860 941719687 /nfs/dbraw/zinc/71/96/87/941719687.db2.gz GKNISBGKICVEEY-LLVKDONJSA-N 0 3 281.268 1.724 20 5 CDBDHN Cc1cc(O[C@@H]2CCCN(C)C2)ncc1[N+](=O)[O-] ZINC001225660067 941894804 /nfs/dbraw/zinc/89/48/04/941894804.db2.gz BBUJRNWFRIZPNL-SNVBAGLBSA-N 0 3 251.286 1.771 20 5 CDBDHN CCN1CC[C@H](Oc2ncc([N+](=O)[O-])cc2C)C1 ZINC001226760630 942065079 /nfs/dbraw/zinc/06/50/79/942065079.db2.gz BWSZTOKZHQXJOJ-NSHDSACASA-N 0 3 251.286 1.771 20 5 CDBDHN Cc1nccnc1CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254586870 947543712 /nfs/dbraw/zinc/54/37/12/947543712.db2.gz LRYRTHVAHVOFDY-CYBMUJFWSA-N 0 3 284.319 1.950 20 5 CDBDHN CN(Cc1cnn(C)c1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601083 947548982 /nfs/dbraw/zinc/54/89/82/947548982.db2.gz YQXNPNIGNMLZBQ-HNNXBMFYSA-N 0 3 286.335 1.928 20 5 CDBDHN CC[C@H]1CN(C)CCCN1c1c([N+](=O)[O-])ncn1C ZINC000601192631 342488521 /nfs/dbraw/zinc/48/85/21/342488521.db2.gz XXHRBYJXPJMGQD-JTQLQIEISA-N 0 3 267.333 1.249 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1CNCCCCO)OCCO2 ZINC000618731745 349518661 /nfs/dbraw/zinc/51/86/61/349518661.db2.gz HBJRBLXGTOZQES-UHFFFAOYSA-N 0 3 282.296 1.228 20 5 CDBDHN CN(C)CCn1cc(Nc2ncc([N+](=O)[O-])cc2F)cn1 ZINC000591143041 342618350 /nfs/dbraw/zinc/61/83/50/342618350.db2.gz MSHSACPQXAVEPF-UHFFFAOYSA-N 0 3 294.290 1.631 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000117202926 342621802 /nfs/dbraw/zinc/62/18/02/342621802.db2.gz QNXXGNKEFSLXCK-LSDHHAIUSA-N 0 3 291.351 1.630 20 5 CDBDHN C[C@@H](CCO)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000593110335 342769726 /nfs/dbraw/zinc/76/97/26/342769726.db2.gz UYPZSKHIQAUUPT-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594026119 342867358 /nfs/dbraw/zinc/86/73/58/342867358.db2.gz CYJJSBBFZDWMTF-CQSZACIVSA-N 0 3 294.355 1.825 20 5 CDBDHN C[C@@H](NC[C@H]1COCCN1)c1ccc([N+](=O)[O-])cc1 ZINC000600707982 342243306 /nfs/dbraw/zinc/24/33/06/342243306.db2.gz CERFVIVJSCTBHU-PWSUYJOCSA-N 0 3 265.313 1.234 20 5 CDBDHN C[C@H]1C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000402036773 349729794 /nfs/dbraw/zinc/72/97/94/349729794.db2.gz KEYXKKCJEFPBDS-WDEREUQCSA-N 0 3 266.297 1.741 20 5 CDBDHN C[NH+](C)CC(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596056288 343222008 /nfs/dbraw/zinc/22/20/08/343222008.db2.gz QKZDXDYTPBGJRV-UHFFFAOYSA-N 0 3 268.317 1.695 20 5 CDBDHN C[C@@H](C[NH+]1CCCCC1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596078290 343227236 /nfs/dbraw/zinc/22/72/36/343227236.db2.gz VMVCBOGFQKMVHR-JTQLQIEISA-N 0 3 280.328 1.982 20 5 CDBDHN CN1CCCC(C)(C)[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000596217897 343269344 /nfs/dbraw/zinc/26/93/44/343269344.db2.gz ZFCVUQLUOSXNLB-LLVKDONJSA-N 0 3 293.371 1.526 20 5 CDBDHN C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000596255702 343275924 /nfs/dbraw/zinc/27/59/24/343275924.db2.gz QVXBBSQLXCGWAT-SNVBAGLBSA-N 0 3 292.339 1.616 20 5 CDBDHN C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000596255702 343275926 /nfs/dbraw/zinc/27/59/26/343275926.db2.gz QVXBBSQLXCGWAT-SNVBAGLBSA-N 0 3 292.339 1.616 20 5 CDBDHN CN1CCN(CCNc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000619651985 349836035 /nfs/dbraw/zinc/83/60/35/349836035.db2.gz XRBWACLKQJBDFC-UHFFFAOYSA-N 0 3 293.371 1.428 20 5 CDBDHN COC(=O)c1ccnc(NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000598587861 343836187 /nfs/dbraw/zinc/83/61/87/343836187.db2.gz FJQLFISLLHKJDX-UHFFFAOYSA-N 0 3 294.311 1.283 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN(CCCCO)C1CC1 ZINC000602783418 344597653 /nfs/dbraw/zinc/59/76/53/344597653.db2.gz ZGYNONWXYXJOJI-UHFFFAOYSA-N 0 3 282.344 1.337 20 5 CDBDHN O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CSCCN1 ZINC000603418566 344807770 /nfs/dbraw/zinc/80/77/70/344807770.db2.gz GGKIDYRWVVTXOT-MRVPVSSYSA-N 0 3 271.317 1.851 20 5 CDBDHN CN(CCN1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344237275 362558437 /nfs/dbraw/zinc/55/84/37/362558437.db2.gz DRRDVYAMPZEKNS-UHFFFAOYSA-N 0 3 295.314 1.902 20 5 CDBDHN CCCN(CCO)CCOc1ccccc1[N+](=O)[O-] ZINC000052691355 345301766 /nfs/dbraw/zinc/30/17/66/345301766.db2.gz AYSPYCXPROTWTN-UHFFFAOYSA-N 0 3 268.313 1.678 20 5 CDBDHN COC(=O)C[C@@H]1CCCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000610484838 346289558 /nfs/dbraw/zinc/28/95/58/346289558.db2.gz IBSYCGILIIQUHL-NSHDSACASA-N 0 3 296.327 1.209 20 5 CDBDHN CCC[C@@H](N)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000228890979 140198599 /nfs/dbraw/zinc/19/85/99/140198599.db2.gz QJURNHUOSUNXCX-SECBINFHSA-N 0 3 267.285 1.669 20 5 CDBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000611221651 346695408 /nfs/dbraw/zinc/69/54/08/346695408.db2.gz DSLKLALCLWDTBI-QWRGUYRKSA-N 0 3 264.329 1.909 20 5 CDBDHN CC(C)N(CCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000085861897 179190629 /nfs/dbraw/zinc/19/06/29/179190629.db2.gz ZBEWVSRCPDZRBD-UHFFFAOYSA-N 0 3 268.313 1.676 20 5 CDBDHN CC[C@@H](CN1CCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000612785925 347283543 /nfs/dbraw/zinc/28/35/43/347283543.db2.gz HBNNUZSSJZRYBM-JTQLQIEISA-N 0 3 265.317 1.671 20 5 CDBDHN CN(CCOCC1CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000088599645 365910201 /nfs/dbraw/zinc/91/02/01/365910201.db2.gz BJPLYFZLLDENEG-UHFFFAOYSA-N 0 3 268.317 1.150 20 5 CDBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054151882 347816509 /nfs/dbraw/zinc/81/65/09/347816509.db2.gz HZJYLZRQNYYTKO-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCN(C)C2)c1 ZINC000110652163 186311142 /nfs/dbraw/zinc/31/11/42/186311142.db2.gz BFCAHLCZGMXSQX-SNVBAGLBSA-N 0 3 293.323 1.285 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC23CCC3)c1 ZINC000081563853 351153609 /nfs/dbraw/zinc/15/36/09/351153609.db2.gz RLDOGIXHNYQXRX-CYBMUJFWSA-N 0 3 292.335 1.963 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000264458507 363070827 /nfs/dbraw/zinc/07/08/27/363070827.db2.gz XMEXMDGIJUCHFD-VIFPVBQESA-N 0 3 283.353 1.823 20 5 CDBDHN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)CN(C)C ZINC000286366288 356269637 /nfs/dbraw/zinc/26/96/37/356269637.db2.gz XLICEFGWUFDQPI-CQSZACIVSA-N 0 3 295.339 1.522 20 5 CDBDHN CN1CC[C@H]2[C@H](CCCN2c2ncccc2[N+](=O)[O-])C1 ZINC000269088208 283163279 /nfs/dbraw/zinc/16/32/79/283163279.db2.gz ISYXRXXFZGIPMJ-NEPJUHHUSA-N 0 3 276.340 1.910 20 5 CDBDHN C[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccnc1 ZINC000181656126 357371413 /nfs/dbraw/zinc/37/14/13/357371413.db2.gz QEOBDFDPVJZIMB-NSHDSACASA-N 0 3 288.307 1.502 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000283497824 357565728 /nfs/dbraw/zinc/56/57/28/357565728.db2.gz OQAFEZXDHCRXQD-SNVBAGLBSA-N 0 3 295.339 1.673 20 5 CDBDHN COC(=O)C1(CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000188674609 357924987 /nfs/dbraw/zinc/92/49/87/357924987.db2.gz GVEXDILERSZUQW-UHFFFAOYSA-N 0 3 264.281 1.638 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057159459 366409675 /nfs/dbraw/zinc/40/96/75/366409675.db2.gz GIACIYWCPJCJGB-SECBINFHSA-N 0 3 267.285 1.402 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287279414 358363226 /nfs/dbraw/zinc/36/32/26/358363226.db2.gz SYVGYGQREYKNSM-VIFPVBQESA-N 0 3 290.323 1.756 20 5 CDBDHN Cc1nc(N[C@@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000294852584 199214735 /nfs/dbraw/zinc/21/47/35/199214735.db2.gz BHLXLBZMMVOWTE-GFCCVEGCSA-N 0 3 294.355 1.557 20 5 CDBDHN CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106886075 359011808 /nfs/dbraw/zinc/01/18/08/359011808.db2.gz SECSXGIDTULBFF-OLZOCXBDSA-N 0 3 296.323 1.055 20 5 CDBDHN CCC[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353085597 359143402 /nfs/dbraw/zinc/14/34/02/359143402.db2.gz HZDRBPMRRLPVEP-GFCCVEGCSA-N 0 3 280.328 1.250 20 5 CDBDHN CCN(C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000112926186 359365716 /nfs/dbraw/zinc/36/57/16/359365716.db2.gz NWBQZMCAYPFTSJ-UHFFFAOYSA-N 0 3 280.328 1.075 20 5 CDBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H](CC2CC2)C1 ZINC000339679968 359427391 /nfs/dbraw/zinc/42/73/91/359427391.db2.gz UNWTVNHHPVWEDA-CYBMUJFWSA-N 0 3 291.351 1.879 20 5 CDBDHN CC(C)[C@H](NCc1c([N+](=O)[O-])ncn1C)C1(CO)CCC1 ZINC000339727182 359428277 /nfs/dbraw/zinc/42/82/77/359428277.db2.gz IJANZHFWLYQXPI-LBPRGKRZSA-N 0 3 296.371 1.605 20 5 CDBDHN CCN1CCC[C@@H]1CN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297467025 200201236 /nfs/dbraw/zinc/20/12/36/200201236.db2.gz KMDOSUJSFQDLAN-LLVKDONJSA-N 0 3 279.344 1.614 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H](CO)C2)cc1 ZINC000051887252 359949477 /nfs/dbraw/zinc/94/94/77/359949477.db2.gz SBJGWERMHRUBLF-LBPRGKRZSA-N 0 3 250.298 1.452 20 5 CDBDHN CCCCN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000112310441 360521566 /nfs/dbraw/zinc/52/15/66/360521566.db2.gz UEOYYZVMALGOOG-UHFFFAOYSA-N 0 3 293.367 1.985 20 5 CDBDHN Cc1nc(N2C[C@H](N3CCCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000294828916 361412870 /nfs/dbraw/zinc/41/28/70/361412870.db2.gz AJIRSOYOQUHYTJ-ZYHUDNBSSA-N 0 3 291.355 1.756 20 5 CDBDHN CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000270903532 366942950 /nfs/dbraw/zinc/94/29/50/366942950.db2.gz MWOJFFRVXBAKEO-RISCZKNCSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H](O)[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000272546602 367760529 /nfs/dbraw/zinc/76/05/29/367760529.db2.gz KEURAKIQVVMUHW-NEPJUHHUSA-N 0 3 280.324 1.676 20 5 CDBDHN CN1CCN(CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298451763 373603102 /nfs/dbraw/zinc/60/31/02/373603102.db2.gz HDYVXXIZVLGELB-UHFFFAOYSA-N 0 3 296.346 1.783 20 5 CDBDHN Cc1c(NC(=O)C[C@@H]2CSCCN2)cccc1[N+](=O)[O-] ZINC000091135064 373747700 /nfs/dbraw/zinc/74/77/00/373747700.db2.gz SRKFFTOQEOIPAH-SNVBAGLBSA-N 0 3 295.364 1.937 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN1CC[C@](O)(C2CC2)C1 ZINC000368472844 373842459 /nfs/dbraw/zinc/84/24/59/373842459.db2.gz BGDJPRCTQULPHF-CQSZACIVSA-N 0 3 262.309 1.942 20 5 CDBDHN CCN(CCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000266559290 373986298 /nfs/dbraw/zinc/98/62/98/373986298.db2.gz MOPJIWVAZVYHNE-ZDUSSCGKSA-N 0 3 298.339 1.039 20 5 CDBDHN Cc1c(CNC(=O)C(N)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423814449 246111965 /nfs/dbraw/zinc/11/19/65/246111965.db2.gz UBKHUPSLGPWNFF-VIFPVBQESA-N 0 3 291.229 1.409 20 5 CDBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C1=CCN(C)CC1 ZINC000543754607 374440858 /nfs/dbraw/zinc/44/08/58/374440858.db2.gz UJXMHYUVDIHOGE-SNVBAGLBSA-N 0 3 292.339 1.314 20 5 CDBDHN COc1ccc(CNC(=O)CN(C)C(C)C)cc1[N+](=O)[O-] ZINC000299509973 374680606 /nfs/dbraw/zinc/68/06/06/374680606.db2.gz RRZXMKOAOJHKAE-UHFFFAOYSA-N 0 3 295.339 1.560 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCN1C ZINC000277646047 374799128 /nfs/dbraw/zinc/79/91/28/374799128.db2.gz UMRDSZBITOBVPI-LLVKDONJSA-N 0 3 293.323 1.427 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCCN2CCCO)cc1 ZINC000449384668 374804531 /nfs/dbraw/zinc/80/45/31/374804531.db2.gz CFYKRLQSKRZCSZ-OAHLLOKOSA-N 0 3 293.367 1.531 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000331232372 374911453 /nfs/dbraw/zinc/91/14/53/374911453.db2.gz AQHANNWUEAQKNO-NSHDSACASA-N 0 3 295.314 1.900 20 5 CDBDHN C[C@@]1(C(N)=O)CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000280490640 374998417 /nfs/dbraw/zinc/99/84/17/374998417.db2.gz BFUZUXZLXALRMR-CQSZACIVSA-N 0 3 293.323 1.171 20 5 CDBDHN CC(C)N(C)CC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332729188 375047456 /nfs/dbraw/zinc/04/74/56/375047456.db2.gz QXEPNHGCVRMVQO-UHFFFAOYSA-N 0 3 292.339 1.215 20 5 CDBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)NC1CC1 ZINC000344845413 375564933 /nfs/dbraw/zinc/56/49/33/375564933.db2.gz IJKVHBQAJDGZJM-XFFZJAGNSA-N 0 3 289.335 1.866 20 5 CDBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C1=CCN(C)CC1 ZINC000357904729 375939254 /nfs/dbraw/zinc/93/92/54/375939254.db2.gz ILXARWIOSNCWKQ-VIFPVBQESA-N 0 3 278.312 1.303 20 5 CDBDHN Cc1nc(NCCN2CCCC2)ncc1[N+](=O)[O-] ZINC000296524433 376345714 /nfs/dbraw/zinc/34/57/14/376345714.db2.gz MYZHESHZQUUURG-UHFFFAOYSA-N 0 3 251.290 1.201 20 5 CDBDHN COc1cc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347537312 376365792 /nfs/dbraw/zinc/36/57/92/376365792.db2.gz JXFUNMCEDDEJBY-SNVBAGLBSA-N 0 3 291.311 1.546 20 5 CDBDHN CN(C)C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000267070478 376804679 /nfs/dbraw/zinc/80/46/79/376804679.db2.gz VTPHGSZYSFQVSN-ZDUSSCGKSA-N 0 3 297.330 1.496 20 5 CDBDHN COCC[C@@](C)(O)CNCc1ccc([N+](=O)[O-])cc1 ZINC000172070143 377240841 /nfs/dbraw/zinc/24/08/41/377240841.db2.gz REUVZUMTDYWHEC-CYBMUJFWSA-N 0 3 268.313 1.472 20 5 CDBDHN C[C@H](NCCN1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000266863369 378071063 /nfs/dbraw/zinc/07/10/63/378071063.db2.gz LSMWYUAZLUDMPW-STQMWFEESA-N 0 3 293.367 1.966 20 5 CDBDHN COc1ccc(OCCN(C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000173799770 379239830 /nfs/dbraw/zinc/23/98/30/379239830.db2.gz UUFGMPFUXBFECS-SNVBAGLBSA-N 0 3 284.312 1.295 20 5 CDBDHN CN1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000174020418 379359175 /nfs/dbraw/zinc/35/91/75/379359175.db2.gz RCQVPFSXSBOJMX-UHFFFAOYSA-N 0 3 292.339 1.217 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@@]2(CCO)CCOC2)cc1 ZINC000278536096 285115722 /nfs/dbraw/zinc/11/57/22/285115722.db2.gz WEGGKFHTHIJJOX-ZDUSSCGKSA-N 0 3 266.297 1.226 20 5 CDBDHN CCN(CC)CC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288483783 197091854 /nfs/dbraw/zinc/09/18/54/197091854.db2.gz VPXZLWYUMVTKFS-UHFFFAOYSA-N 0 3 293.367 1.938 20 5 CDBDHN CN(C)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2N)CCC1 ZINC000281664249 195327676 /nfs/dbraw/zinc/32/76/76/195327676.db2.gz JDMKIZXGYWTYSO-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN CN(CCCN1CCCC1)c1ncc([N+](=O)[O-])s1 ZINC000281804990 195388789 /nfs/dbraw/zinc/38/87/89/195388789.db2.gz GMXUMKSDOVFEMR-UHFFFAOYSA-N 0 3 270.358 1.973 20 5 CDBDHN CN1CC[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)C[C@@H]21 ZINC000450780749 390552641 /nfs/dbraw/zinc/55/26/41/390552641.db2.gz RIBMEYMSLXRHON-MFKMUULPSA-N 0 3 299.334 1.678 20 5 CDBDHN COC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000452047326 390663765 /nfs/dbraw/zinc/66/37/65/390663765.db2.gz ZSYGHAGJKAUNEE-NSHDSACASA-N 0 3 268.317 1.292 20 5 CDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cn3C)[C@@H]2C1 ZINC000520217563 391251945 /nfs/dbraw/zinc/25/19/45/391251945.db2.gz YOCNXGBFZBFVQE-GXFFZTMASA-N 0 3 292.339 1.100 20 5 CDBDHN C[C@@H]1[C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCN1C ZINC000343480455 391634273 /nfs/dbraw/zinc/63/42/73/391634273.db2.gz RHZVHTGSZSBHMZ-KOLCDFICSA-N 0 3 292.339 1.588 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000262701846 131252661 /nfs/dbraw/zinc/25/26/61/131252661.db2.gz AVYLCYVMJPKSOT-SFYZADRCSA-N 0 3 269.326 1.479 20 5 CDBDHN C[C@H]1NCCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000262818650 131264868 /nfs/dbraw/zinc/26/48/68/131264868.db2.gz SDWKOGXBYDWYPB-MNOVXSKESA-N 0 3 293.323 1.182 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)nc1 ZINC000263676157 131306157 /nfs/dbraw/zinc/30/61/57/131306157.db2.gz HGXKKQIWYJSYGP-GFCCVEGCSA-N 0 3 292.339 1.148 20 5 CDBDHN C[C@H]1[C@@H](CO)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000488790026 392727790 /nfs/dbraw/zinc/72/77/90/392727790.db2.gz WCJIFOSCRSGLIR-NWDGAFQWSA-N 0 3 280.324 1.676 20 5 CDBDHN CC(C)(O)CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000330896660 393146100 /nfs/dbraw/zinc/14/61/00/393146100.db2.gz NKRDFXZSJRQYHI-LLVKDONJSA-N 0 3 294.355 1.637 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@H]2CCn3ccnc3C2)cs1 ZINC000494392961 393231808 /nfs/dbraw/zinc/23/18/08/393231808.db2.gz QLPAQDXFJWWVCG-JTQLQIEISA-N 0 3 278.337 1.957 20 5 CDBDHN Cc1ccc(NC(=O)C[C@@H]2CSCCN2)cc1[N+](=O)[O-] ZINC000091134177 146971178 /nfs/dbraw/zinc/97/11/78/146971178.db2.gz JXJCYKQBODVAGX-LLVKDONJSA-N 0 3 295.364 1.937 20 5 CDBDHN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)CCCN1C ZINC000343449081 152181390 /nfs/dbraw/zinc/18/13/90/152181390.db2.gz OBJMMMQSGGAETI-NXEZZACHSA-N 0 3 280.328 1.146 20 5 CDBDHN CCOc1ccc([C@@H](C)N[C@@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000349243389 154074008 /nfs/dbraw/zinc/07/40/08/154074008.db2.gz BWETXKMRWGIZLX-VHSXEESVSA-N 0 3 295.339 1.908 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC(c2ccn[nH]2)CC1 ZINC000372714537 160142854 /nfs/dbraw/zinc/14/28/54/160142854.db2.gz LEIWBGAVULNQQS-UHFFFAOYSA-N 0 3 290.327 1.431 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000374544255 160294640 /nfs/dbraw/zinc/29/46/40/160294640.db2.gz DYSRRXXINDKHRS-LBPRGKRZSA-N 0 3 272.308 1.965 20 5 CDBDHN C[C@H](NCC1(C)OCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284963178 196165770 /nfs/dbraw/zinc/16/57/70/196165770.db2.gz FMRDFSSBODOTGU-VIFPVBQESA-N 0 3 281.312 1.591 20 5 CDBDHN C[C@H](CC[S@@](C)=O)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285356298 196259983 /nfs/dbraw/zinc/25/99/83/196259983.db2.gz VKXJPHORTFYTDO-ZJNREGCTSA-N 0 3 299.396 1.985 20 5 CDBDHN CNC(=O)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000044988719 175285419 /nfs/dbraw/zinc/28/54/19/175285419.db2.gz GBOAEBSXJKTGLZ-SNVBAGLBSA-N 0 3 265.313 1.690 20 5 CDBDHN Cc1nn(C)c(N2C[C@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376261176 279199849 /nfs/dbraw/zinc/19/98/49/279199849.db2.gz XYYGASOXOVASEC-CMPLNLGQSA-N 0 3 293.371 1.700 20 5 CDBDHN C[C@H](O)CCN(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246743446 280301807 /nfs/dbraw/zinc/30/18/07/280301807.db2.gz OIPHJRQRNDDVMZ-WCQYABFASA-N 0 3 298.339 1.037 20 5 CDBDHN C[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269093265 280548335 /nfs/dbraw/zinc/54/83/35/280548335.db2.gz LLKXEZVSDYYKCY-LURJTMIESA-N 0 3 257.677 1.212 20 5 CDBDHN C[C@@H]1CNCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000261877956 288320157 /nfs/dbraw/zinc/32/01/57/288320157.db2.gz TWGWXMYIXGRGLH-SSDOTTSWSA-N 0 3 256.693 1.441 20 5 CDBDHN Cc1ccnc(N2CC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000301245918 281461314 /nfs/dbraw/zinc/46/13/14/281461314.db2.gz ASZHVEFPPBDEEM-GFCCVEGCSA-N 0 3 276.340 1.973 20 5 CDBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000555878764 290242586 /nfs/dbraw/zinc/24/25/86/290242586.db2.gz MCWCZSULCCULKD-CQSZACIVSA-N 0 3 291.351 1.690 20 5 CDBDHN Cn1cnc(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000571345197 294417435 /nfs/dbraw/zinc/41/74/35/294417435.db2.gz ORZKJMBNWXHUHA-GFCCVEGCSA-N 0 3 287.323 1.543 20 5 CDBDHN C[C@@H](C[NH+](C)C)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591723100 1173691557 /nfs/dbraw/zinc/69/15/57/1173691557.db2.gz LLQHHXBBYQJPDU-QMMMGPOBSA-N 0 3 291.315 1.137 20 5 CDBDHN C[C@@H](C[NH+](C)C)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591723100 1173691562 /nfs/dbraw/zinc/69/15/62/1173691562.db2.gz LLQHHXBBYQJPDU-QMMMGPOBSA-N 0 3 291.315 1.137 20 5 CDBDHN CC/C=C/CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563529891 316325337 /nfs/dbraw/zinc/32/53/37/316325337.db2.gz KCSSHNPSZLCBJK-OOPCZODUSA-N 0 3 280.324 1.890 20 5 CDBDHN C[C@@H](NC(=O)C(N)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353136525 525286726 /nfs/dbraw/zinc/28/67/26/525286726.db2.gz XNGQSFWCXDGORP-MUWHJKNJSA-N 0 3 291.229 1.662 20 5 CDBDHN C[C@H](NC[C@H]1CC[C@H](CO)O1)c1ccc([N+](=O)[O-])cc1 ZINC000340416443 525420797 /nfs/dbraw/zinc/42/07/97/525420797.db2.gz NAOAHADTSKUEOK-ZLKJLUDKSA-N 0 3 280.324 1.785 20 5 CDBDHN Cc1c(CN[C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000049504671 525726884 /nfs/dbraw/zinc/72/68/84/525726884.db2.gz VYTLFBQEBXGZGI-GFCCVEGCSA-N 0 3 293.367 1.714 20 5 CDBDHN CN1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@@H]2C1 ZINC000424117266 536488383 /nfs/dbraw/zinc/48/83/83/536488383.db2.gz YJWCTXGHDXBDBW-JOYOIKCWSA-N 0 3 278.312 1.089 20 5 CDBDHN COc1cc(C(=O)N2CCN[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000262761285 536888358 /nfs/dbraw/zinc/88/83/58/536888358.db2.gz IMXOJZQKQSHYNU-NXEZZACHSA-N 0 3 293.323 1.426 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NCC2(N(C)C)CC2)c1 ZINC000416302610 536949780 /nfs/dbraw/zinc/94/97/80/536949780.db2.gz PCDHQAPSERFYTO-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C1CC1 ZINC000771816490 575618842 /nfs/dbraw/zinc/61/88/42/575618842.db2.gz XTPOEQOACXLZCM-ZDUSSCGKSA-N 0 3 293.323 1.202 20 5 CDBDHN COC(C)(C)CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750095134 576975516 /nfs/dbraw/zinc/97/55/16/576975516.db2.gz UTFDKTPPAQARBQ-CYBMUJFWSA-N 0 3 282.340 1.985 20 5 CDBDHN CN(C)CC1(c2nc(CCC(C)(C)[N+](=O)[O-])no2)CC1 ZINC000924078694 617471676 /nfs/dbraw/zinc/47/16/76/617471676.db2.gz MMBSMUOIRKRAMC-UHFFFAOYSA-N 0 3 282.344 1.651 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000893069108 618124331 /nfs/dbraw/zinc/12/43/31/618124331.db2.gz BGMVRQNOBUILNP-MWLCHTKSSA-N 0 3 296.323 1.824 20 5 CDBDHN CNCc1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1 ZINC000901398176 624220241 /nfs/dbraw/zinc/22/02/41/624220241.db2.gz LJKKXTZESBNKIP-UHFFFAOYSA-N 0 3 277.236 1.698 20 5 CDBDHN CCOc1nc(N2CCNC3(CC3)C2)ccc1[N+](=O)[O-] ZINC001158938148 1163849653 /nfs/dbraw/zinc/84/96/53/1163849653.db2.gz QJRLSTAEQZFARS-UHFFFAOYSA-N 0 3 278.312 1.331 20 5 CDBDHN O=C(NC1(c2ccccc2)CNC1)c1ccc([N+](=O)[O-])cn1 ZINC001580597425 1172478852 /nfs/dbraw/zinc/47/88/52/1172478852.db2.gz VOIFXRBXGHYYHI-UHFFFAOYSA-N 0 3 298.302 1.218 20 5 CDBDHN Cc1cc(NCCN(C)CCO)c([N+](=O)[O-])s1 ZINC000884825089 830034150 /nfs/dbraw/zinc/03/41/50/830034150.db2.gz DOVCCYAYWGOKRY-UHFFFAOYSA-N 0 3 259.331 1.301 20 5 CDBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1[N+](=O)[O-] ZINC000813107080 833333952 /nfs/dbraw/zinc/33/39/52/833333952.db2.gz LUKPWDJLXUEVQG-QMMMGPOBSA-N 0 3 268.225 1.725 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843352437 829172190 /nfs/dbraw/zinc/17/21/90/829172190.db2.gz ZYYPJAFCIXXRHQ-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN CC(COC(=O)[C@H]1CN(C)C(=O)c2ccccc21)[N+](=O)[O-] ZINC000813115788 829501672 /nfs/dbraw/zinc/50/16/72/829501672.db2.gz ZRBRSFSIXYRNFG-CABZTGNLSA-N 0 3 292.291 1.064 20 5 CDBDHN CCNC(=O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000228330316 829814220 /nfs/dbraw/zinc/81/42/20/829814220.db2.gz YZRAYMAJLPJVKE-SNVBAGLBSA-N 0 3 265.313 1.772 20 5 CDBDHN Cc1c(CN[C@@H]2COCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000710875291 833843680 /nfs/dbraw/zinc/84/36/80/833843680.db2.gz QZECTQINBCXEEP-DGCLKSJQSA-N 0 3 266.297 1.143 20 5 CDBDHN CC(COC(=O)Cc1ccc(-n2cnnc2)cc1)[N+](=O)[O-] ZINC000821166801 832869806 /nfs/dbraw/zinc/86/98/06/832869806.db2.gz HNKCCGOUFWLYTF-JTQLQIEISA-N 0 3 290.279 1.018 20 5 CDBDHN C[C@@H](COC(=O)c1ccc([N+](=O)[O-])n1C)N1CCCCC1 ZINC000847959772 833869343 /nfs/dbraw/zinc/86/93/43/833869343.db2.gz JRLZPRRLMUJGFZ-NSHDSACASA-N 0 3 295.339 1.965 20 5 CDBDHN CC(COC(=O)c1ccc(C(F)F)nc1)[N+](=O)[O-] ZINC000847714329 834337030 /nfs/dbraw/zinc/33/70/30/834337030.db2.gz QFWDJGJQJFWDFM-ZCFIWIBFSA-N 0 3 260.196 1.841 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886252117 834818183 /nfs/dbraw/zinc/81/81/83/834818183.db2.gz UGNCAZRZHXPLMV-ZOZIMZAQSA-N 0 3 280.324 1.185 20 5 CDBDHN CC(COC(=O)c1cncnc1-c1ccccc1)[N+](=O)[O-] ZINC000813108468 834848751 /nfs/dbraw/zinc/84/87/51/834848751.db2.gz YURDTVFRYRIWJF-JTQLQIEISA-N 0 3 287.275 1.966 20 5 CDBDHN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCN1CCCC1 ZINC000801798574 835631752 /nfs/dbraw/zinc/63/17/52/835631752.db2.gz ZBAMEFRUVFUOFM-UHFFFAOYSA-N 0 3 296.302 1.142 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(-n2nc(CN)c3ccccc32)n1 ZINC001167693543 898379121 /nfs/dbraw/zinc/37/91/21/898379121.db2.gz SNKRSCHFNPYCKP-UHFFFAOYSA-N 0 3 299.290 1.796 20 5 CDBDHN Cc1nc(CN[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C)o1 ZINC001168959038 927580523 /nfs/dbraw/zinc/58/05/23/927580523.db2.gz SQTDZOCBDJKVHU-GHMZBOCLSA-N 0 3 253.302 1.826 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2C[C@H](CO)C[C@H](F)C2)C1 ZINC001169006008 927609279 /nfs/dbraw/zinc/60/92/79/927609279.db2.gz FDNANJPNVGNLMU-WYUUTHIRSA-N 0 3 260.309 1.084 20 5 CDBDHN COc1c(F)cc(-n2ccc([C@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169232259 927845886 /nfs/dbraw/zinc/84/58/86/927845886.db2.gz BYXMEVLRFJKGMV-ZETCQYMHSA-N 0 3 280.259 1.948 20 5 CDBDHN Cc1cc(CN)nn1-c1ncc(F)cc1[N+](=O)[O-] ZINC001156038178 938312599 /nfs/dbraw/zinc/31/25/99/938312599.db2.gz CQEVHIAQZFZSGN-UHFFFAOYSA-N 0 3 251.221 1.082 20 5 CDBDHN COc1cc(C)c([N+](=O)[O-])cc1-n1cnc(CN)c1 ZINC001162303976 938975775 /nfs/dbraw/zinc/97/57/75/938975775.db2.gz COANEFGFIFXNFQ-UHFFFAOYSA-N 0 3 262.269 1.556 20 5 CDBDHN COCCN1CCC(Oc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC001227237087 942155641 /nfs/dbraw/zinc/15/56/41/942155641.db2.gz QLVDOUFTHLZONC-UHFFFAOYSA-N 0 3 295.339 1.788 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231118735 942790742 /nfs/dbraw/zinc/79/07/42/942790742.db2.gz UDEUXMNXXYVEEE-SNVBAGLBSA-N 0 3 262.337 1.340 20 5 CDBDHN C[C@H](C[N+](C)(C)C)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231118735 942790747 /nfs/dbraw/zinc/79/07/47/942790747.db2.gz UDEUXMNXXYVEEE-SNVBAGLBSA-N 0 3 262.337 1.340 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC001308743096 956573261 /nfs/dbraw/zinc/57/32/61/956573261.db2.gz ZHFJSVGRFTYRJY-ONGXEEELSA-N 0 3 296.323 1.560 20 5 CDBDHN C[C@H](NC(=O)C[C@@H]1CNCCO1)c1ccc([N+](=O)[O-])cc1 ZINC001341108394 963279626 /nfs/dbraw/zinc/27/96/26/963279626.db2.gz MPCABPQLJHLXCD-GXFFZTMASA-N 0 3 293.323 1.151 20 5 CDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000588085489 342492429 /nfs/dbraw/zinc/49/24/29/342492429.db2.gz LFPQBBJQDIMNKL-GHMZBOCLSA-N 0 3 279.344 1.391 20 5 CDBDHN CN(C)CCN(c1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000589692349 342512081 /nfs/dbraw/zinc/51/20/81/342512081.db2.gz FCJPZOIGWMKRJB-UHFFFAOYSA-N 0 3 281.360 1.639 20 5 CDBDHN CCC[C@@H](N[C@@H]1COC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000601291910 342549772 /nfs/dbraw/zinc/54/97/72/342549772.db2.gz PIVAKUKVQCLXBE-MCIONIFRSA-N 0 3 280.324 1.785 20 5 CDBDHN CC[C@H](O)CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000124670054 187148360 /nfs/dbraw/zinc/14/83/60/187148360.db2.gz ZVCLTTPJBSPOTL-JTQLQIEISA-N 0 3 254.286 1.464 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H](C1CC1)C(C)(C)CO ZINC000339728055 361746221 /nfs/dbraw/zinc/74/62/21/361746221.db2.gz HOLDEOAGGVOAAC-NSHDSACASA-N 0 3 282.344 1.215 20 5 CDBDHN CCN1CCCC[C@H]1CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000590579889 342577424 /nfs/dbraw/zinc/57/74/24/342577424.db2.gz XXRUTUMMTHTASX-JTQLQIEISA-N 0 3 279.344 1.280 20 5 CDBDHN CC1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000046957152 342091068 /nfs/dbraw/zinc/09/10/68/342091068.db2.gz MWYJWWBKENMDGH-UHFFFAOYSA-N 0 3 280.328 1.385 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCNCC2(C)C)c1 ZINC000591678325 342641488 /nfs/dbraw/zinc/64/14/88/342641488.db2.gz NUHBHAVJHWYUJZ-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CCN(CCSC)CCn1cc([N+](=O)[O-])cn1 ZINC000592199663 342676539 /nfs/dbraw/zinc/67/65/39/342676539.db2.gz IEDCLGGNIFRXCQ-UHFFFAOYSA-N 0 3 258.347 1.476 20 5 CDBDHN CN(C)CCN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000080391975 342210772 /nfs/dbraw/zinc/21/07/72/342210772.db2.gz BVNMBTKEKYXZSB-UHFFFAOYSA-N 0 3 291.311 1.105 20 5 CDBDHN C[C@@H](Cn1cccn1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642934 190526380 /nfs/dbraw/zinc/52/63/80/190526380.db2.gz CPSMXCGFMGRANY-FZMZJTMJSA-N 0 3 290.323 1.503 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594601287 342923750 /nfs/dbraw/zinc/92/37/50/342923750.db2.gz NICQIZYANLEYHZ-GHMZBOCLSA-N 0 3 279.344 1.757 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCCN3CCCC[C@@H]23)nc1 ZINC000594600456 342930033 /nfs/dbraw/zinc/93/00/33/342930033.db2.gz LIWFZFLZYRDBSJ-NEPJUHHUSA-N 0 3 277.328 1.814 20 5 CDBDHN COCCN1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000080601190 342268210 /nfs/dbraw/zinc/26/82/10/342268210.db2.gz YHQYLLQJJYGOHQ-LBPRGKRZSA-N 0 3 294.355 1.821 20 5 CDBDHN CC(C)(C)[C@@H](N)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594651642 342932978 /nfs/dbraw/zinc/93/29/78/342932978.db2.gz FDEIQLSZWYKQPU-LBPRGKRZSA-N 0 3 291.311 1.927 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(O)CCOC1 ZINC000595036584 342997883 /nfs/dbraw/zinc/99/78/83/342997883.db2.gz SFQITFSYCDYJSS-YGRLFVJLSA-N 0 3 296.323 1.405 20 5 CDBDHN C[C@@H]1C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)CO1 ZINC000402036770 349729952 /nfs/dbraw/zinc/72/99/52/349729952.db2.gz KEYXKKCJEFPBDS-GHMZBOCLSA-N 0 3 266.297 1.741 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@](C)(O)CC1 ZINC000230379954 349777268 /nfs/dbraw/zinc/77/72/68/349777268.db2.gz AUNCUKUXIWIIIJ-CYBMUJFWSA-N 0 3 282.344 1.337 20 5 CDBDHN Cc1noc(CN2CCC[C@@H]2CN2CCCC2)c1[N+](=O)[O-] ZINC000595308602 343032193 /nfs/dbraw/zinc/03/21/93/343032193.db2.gz LCYKOCLCBTZABW-GFCCVEGCSA-N 0 3 294.355 1.951 20 5 CDBDHN CC1(C)C[C@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CO1 ZINC000595481989 343065229 /nfs/dbraw/zinc/06/52/29/343065229.db2.gz QFWDESPLCJXGTH-LBPRGKRZSA-N 0 3 294.355 1.996 20 5 CDBDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076268877 342320363 /nfs/dbraw/zinc/32/03/63/342320363.db2.gz MMEHOIUJDRFNHO-NXEZZACHSA-N 0 3 294.359 1.499 20 5 CDBDHN COCCN1CCC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596116612 343231967 /nfs/dbraw/zinc/23/19/67/343231967.db2.gz ODDSKBZSZSSRGW-SNVBAGLBSA-N 0 3 296.327 1.218 20 5 CDBDHN Cc1c([C@H](C)NC[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000090848500 342397591 /nfs/dbraw/zinc/39/75/91/342397591.db2.gz GZUMDJTWDBLLTP-FZMZJTMJSA-N 0 3 280.324 1.705 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCN(CCCO)C2)cc1 ZINC000295005372 199296257 /nfs/dbraw/zinc/29/62/57/199296257.db2.gz RXKKYDWVBXJNTP-ZDUSSCGKSA-N 0 3 279.340 1.854 20 5 CDBDHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922647 343662491 /nfs/dbraw/zinc/66/24/91/343662491.db2.gz JYCJRBIHBQYXQT-SECBINFHSA-N 0 3 295.343 1.229 20 5 CDBDHN Cc1cccc(C(=O)N2CCN[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598575395 343833335 /nfs/dbraw/zinc/83/33/35/343833335.db2.gz PJOZPIOBPGDTSL-ZDUSSCGKSA-N 0 3 291.351 1.973 20 5 CDBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599022279 343941177 /nfs/dbraw/zinc/94/11/77/343941177.db2.gz KAWSJUHRVDNTSV-UHFFFAOYSA-N 0 3 273.283 1.881 20 5 CDBDHN C[C@@H](NCCN1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599085237 343951101 /nfs/dbraw/zinc/95/11/01/343951101.db2.gz NJSRDGBWUWFUDJ-BXUZGUMPSA-N 0 3 279.340 1.312 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2CCC[C@@H]21 ZINC000612108272 347023404 /nfs/dbraw/zinc/02/34/04/347023404.db2.gz VHAQYTPGSCOXRN-UPJWGTAASA-N 0 3 292.335 1.819 20 5 CDBDHN Cc1c(CN2C[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000601973924 344301526 /nfs/dbraw/zinc/30/15/26/344301526.db2.gz DYJASTHEUVUOFP-BETUJISGSA-N 0 3 262.309 1.981 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)N(C)C[C@@H]1C ZINC000602801111 344590655 /nfs/dbraw/zinc/59/06/55/344590655.db2.gz ZUUADOHEEMDOPQ-QWRGUYRKSA-N 0 3 281.360 1.124 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cncc(F)c1 ZINC000602803856 344592359 /nfs/dbraw/zinc/59/23/59/344592359.db2.gz GRYCXSBJIGRUFI-VIFPVBQESA-N 0 3 293.302 1.985 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CSCCN2)c(F)c1 ZINC000603418288 344807626 /nfs/dbraw/zinc/80/76/26/344807626.db2.gz FQDIWAVNZPFOJL-QMMMGPOBSA-N 0 3 271.317 1.851 20 5 CDBDHN C[C@@H](Cn1cncn1)NCc1ccc([N+](=O)[O-])cc1 ZINC000604532670 344898343 /nfs/dbraw/zinc/89/83/43/344898343.db2.gz OJBDGTVOXHYIOQ-JTQLQIEISA-N 0 3 261.285 1.365 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000159725310 362511160 /nfs/dbraw/zinc/51/11/60/362511160.db2.gz CVKOELGMMRBLJA-UHFFFAOYSA-N 0 3 287.319 1.889 20 5 CDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000086467347 362711059 /nfs/dbraw/zinc/71/10/59/362711059.db2.gz GNWJOFFDEWVEEU-ZJUUUORDSA-N 0 3 263.297 1.417 20 5 CDBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)CN1C1CC1 ZINC000133534789 362763782 /nfs/dbraw/zinc/76/37/82/362763782.db2.gz IZCSFWGORUOIHQ-YUMQZZPRSA-N 0 3 278.316 1.004 20 5 CDBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)CC2CC2)cs1 ZINC000611108214 346610120 /nfs/dbraw/zinc/61/01/20/346610120.db2.gz HQXJPVRIHYGJNK-SNVBAGLBSA-N 0 3 256.327 1.907 20 5 CDBDHN CCN(C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000066958631 347548312 /nfs/dbraw/zinc/54/83/12/347548312.db2.gz NKGYQINSVWBCPG-UHFFFAOYSA-N 0 3 265.313 1.205 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1CN1CCCC1 ZINC000614518085 348133174 /nfs/dbraw/zinc/13/31/74/348133174.db2.gz VZUCGJJMMIXRSF-NSHDSACASA-N 0 3 279.344 1.393 20 5 CDBDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000129350196 362897068 /nfs/dbraw/zinc/89/70/68/362897068.db2.gz AUYJCRCQTFMZPI-RYUDHWBXSA-N 0 3 250.298 1.844 20 5 CDBDHN Cc1c(C(=O)NC[C@@H](C)N(C)C)cccc1[N+](=O)[O-] ZINC000025149382 348620145 /nfs/dbraw/zinc/62/01/45/348620145.db2.gz LPQAGRREBSXTTC-SECBINFHSA-N 0 3 265.313 1.583 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344554132 362937045 /nfs/dbraw/zinc/93/70/45/362937045.db2.gz GIQCNBHJWVFLCP-SECBINFHSA-N 0 3 281.287 1.415 20 5 CDBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)N(C)C ZINC000069006594 349086795 /nfs/dbraw/zinc/08/67/95/349086795.db2.gz UERXGAIECNPMJH-SECBINFHSA-N 0 3 299.302 1.179 20 5 CDBDHN COC[C@H](O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090953146 180073260 /nfs/dbraw/zinc/07/32/60/180073260.db2.gz WWIHGFBXRVRQKH-GXFFZTMASA-N 0 3 268.313 1.643 20 5 CDBDHN C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000122615132 187040987 /nfs/dbraw/zinc/04/09/87/187040987.db2.gz UPDWYDZJAYOLCM-NEPJUHHUSA-N 0 3 279.340 1.734 20 5 CDBDHN CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000153471236 188084128 /nfs/dbraw/zinc/08/41/28/188084128.db2.gz ZQZYBNDBGOEZFU-ZDUSSCGKSA-N 0 3 291.351 1.690 20 5 CDBDHN COC(=O)c1cc(NC(=O)[C@H](N)C(C)C)cc([N+](=O)[O-])c1 ZINC000153825484 188106650 /nfs/dbraw/zinc/10/66/50/188106650.db2.gz QJGQFRGFHREWFY-LLVKDONJSA-N 0 3 295.295 1.303 20 5 CDBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000155104426 188183490 /nfs/dbraw/zinc/18/34/90/188183490.db2.gz FYHPNXLQCQPYRD-WDEREUQCSA-N 0 3 293.323 1.548 20 5 CDBDHN Cc1ccc(CN2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000157116174 188297915 /nfs/dbraw/zinc/29/79/15/188297915.db2.gz ZTKPJIZTUACAII-NSHDSACASA-N 0 3 263.297 1.210 20 5 CDBDHN CN(C)Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1 ZINC000558737024 356043094 /nfs/dbraw/zinc/04/30/94/356043094.db2.gz PXSCUHUKQNXNOT-UHFFFAOYSA-N 0 3 289.295 1.632 20 5 CDBDHN C[NH+](C)Cc1ccc(NC(=O)c2c[n-]nc2[N+](=O)[O-])cc1 ZINC000558737024 356043099 /nfs/dbraw/zinc/04/30/99/356043099.db2.gz PXSCUHUKQNXNOT-UHFFFAOYSA-N 0 3 289.295 1.632 20 5 CDBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1=CCN(C)CC1 ZINC000273021412 192021591 /nfs/dbraw/zinc/02/15/91/192021591.db2.gz UAMAWJHYRMAOIL-NSHDSACASA-N 0 3 289.335 1.975 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CC[C@H](O)C2)c(F)c1 ZINC000336808364 356272760 /nfs/dbraw/zinc/27/27/60/356272760.db2.gz BROFZHQCBWSCOH-SKDRFNHKSA-N 0 3 268.288 1.985 20 5 CDBDHN CN(C)CCN(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000267894759 363560126 /nfs/dbraw/zinc/56/01/26/363560126.db2.gz VPGOWWWZJDJUSW-UHFFFAOYSA-N 0 3 290.323 1.710 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1(CO)COC1)CCC2 ZINC000193037060 358259868 /nfs/dbraw/zinc/25/98/68/358259868.db2.gz NKWIAQDHBUYPCP-AWEZNQCLSA-N 0 3 292.335 1.571 20 5 CDBDHN C[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000159144267 358668498 /nfs/dbraw/zinc/66/84/98/358668498.db2.gz OBCAAHSOFDQNJW-SNVBAGLBSA-N 0 3 265.313 1.381 20 5 CDBDHN CCC(O)(CC)C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000101596105 358854115 /nfs/dbraw/zinc/85/41/15/358854115.db2.gz HOHPCXYGXDNRFJ-UHFFFAOYSA-N 0 3 298.339 1.950 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CC(C3CCCC3)C2)c1 ZINC000366507930 363629589 /nfs/dbraw/zinc/62/95/89/363629589.db2.gz WPJQEDQZKZEZDO-CQSZACIVSA-N 0 3 294.355 1.274 20 5 CDBDHN CC(C)[C@H](N)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000297281468 200133372 /nfs/dbraw/zinc/13/33/72/200133372.db2.gz BXKHPMYZPOVELV-LBPRGKRZSA-N 0 3 263.297 1.467 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@]1(CO)CCOC1 ZINC000572060829 359807904 /nfs/dbraw/zinc/80/79/04/359807904.db2.gz RWRORFWYFXJGFF-GXTWGEPZSA-N 0 3 278.308 1.323 20 5 CDBDHN C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN(C2CCC2)C1 ZINC000572338652 360372525 /nfs/dbraw/zinc/37/25/25/360372525.db2.gz NKFHGUZSWZECFW-LLVKDONJSA-N 0 3 293.371 1.639 20 5 CDBDHN COc1ccc(CN(C)CC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000075783596 360463467 /nfs/dbraw/zinc/46/34/67/360463467.db2.gz AAPPEZREPWTBPO-SNVBAGLBSA-N 0 3 268.313 1.806 20 5 CDBDHN COc1ccc(CN(C)CC[C@H](C)O)cc1[N+](=O)[O-] ZINC000075783594 360464044 /nfs/dbraw/zinc/46/40/44/360464044.db2.gz AAPPEZREPWTBPO-JTQLQIEISA-N 0 3 268.313 1.806 20 5 CDBDHN O=[N+]([O-])c1ccc(OC2CCN(CCO)CC2)cc1 ZINC000177823742 189072364 /nfs/dbraw/zinc/07/23/64/189072364.db2.gz XCDVCUORMKMNHH-UHFFFAOYSA-N 0 3 266.297 1.430 20 5 CDBDHN CNC(=O)CCN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179408370 189192831 /nfs/dbraw/zinc/19/28/31/189192831.db2.gz QBPODRSFFSLTSB-FNORWQNLSA-N 0 3 277.324 1.676 20 5 CDBDHN COCCCN(C)CCNc1ncc([N+](=O)[O-])s1 ZINC000192465436 361680203 /nfs/dbraw/zinc/68/02/03/361680203.db2.gz QRXFZZICYQGKSY-UHFFFAOYSA-N 0 3 274.346 1.432 20 5 CDBDHN CC[C@](C)(O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000249429476 364692878 /nfs/dbraw/zinc/69/28/78/364692878.db2.gz YUARZVCDOASBBU-RISCZKNCSA-N 0 3 294.355 1.637 20 5 CDBDHN C[C@@H]1CN(C)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000330666382 203094728 /nfs/dbraw/zinc/09/47/28/203094728.db2.gz ICGYTYMESLPDPQ-GFCCVEGCSA-N 0 3 279.340 1.610 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000168696915 370970150 /nfs/dbraw/zinc/97/01/50/370970150.db2.gz WBCITZREHFLSTO-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN COc1ccc(CN[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000095015601 370204632 /nfs/dbraw/zinc/20/46/32/370204632.db2.gz PZFLTZWBMWOVKJ-JTQLQIEISA-N 0 3 252.270 1.482 20 5 CDBDHN C[C@@H](CO)NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000266137537 370333656 /nfs/dbraw/zinc/33/36/56/370333656.db2.gz GCRSKEDYCHBBHI-JTQLQIEISA-N 0 3 290.323 1.466 20 5 CDBDHN CO[C@]1(CNCc2ccccc2[N+](=O)[O-])CCOC1 ZINC000122874634 372313452 /nfs/dbraw/zinc/31/34/52/372313452.db2.gz AJWSWBVSWGHEIZ-ZDUSSCGKSA-N 0 3 266.297 1.490 20 5 CDBDHN CN(CCNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000059035229 373042928 /nfs/dbraw/zinc/04/29/28/373042928.db2.gz DSZGVEMBAFUDFB-UHFFFAOYSA-N 0 3 281.341 1.810 20 5 CDBDHN Cn1cc([C@H](CO)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000274120906 374122401 /nfs/dbraw/zinc/12/24/01/374122401.db2.gz WXEHAAFCUKVWES-AWEZNQCLSA-N 0 3 290.323 1.194 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000091672892 374098951 /nfs/dbraw/zinc/09/89/51/374098951.db2.gz PYASEPOENMUAGQ-ZIAGYGMSSA-N 0 3 277.324 1.870 20 5 CDBDHN CSCC[C@@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000130953814 374275688 /nfs/dbraw/zinc/27/56/88/374275688.db2.gz DQGXSCAMJZSKBW-LLVKDONJSA-N 0 3 283.353 1.291 20 5 CDBDHN Cc1c(NC(=O)N(C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000080164238 374451025 /nfs/dbraw/zinc/45/10/25/374451025.db2.gz HTJKXHVTEZGBOD-UHFFFAOYSA-N 0 3 280.328 1.929 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1COCCO1 ZINC000531683908 374506019 /nfs/dbraw/zinc/50/60/19/374506019.db2.gz NURAUPFGOBXAOG-AAEUAGOBSA-N 0 3 280.324 1.969 20 5 CDBDHN CC(C)[C@]1(CO)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000377653214 374614436 /nfs/dbraw/zinc/61/44/36/374614436.db2.gz PAFXYDPMWNWELB-CYBMUJFWSA-N 0 3 282.344 1.132 20 5 CDBDHN CNC(=O)[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093360718 374747839 /nfs/dbraw/zinc/74/78/39/374747839.db2.gz QCKLXMDBOCGEBZ-ZDUSSCGKSA-N 0 3 291.351 1.861 20 5 CDBDHN CN1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278173684 374832522 /nfs/dbraw/zinc/83/25/22/374832522.db2.gz GDKJDPGUDLIZEG-UHFFFAOYSA-N 0 3 294.311 1.641 20 5 CDBDHN CCNC(=O)C1(CNCc2ccccc2[N+](=O)[O-])CCC1 ZINC000277448445 374788413 /nfs/dbraw/zinc/78/84/13/374788413.db2.gz PBDPQJMGSLHXJX-UHFFFAOYSA-N 0 3 291.351 1.991 20 5 CDBDHN C[C@@H](O)[C@H]1C[C@H](C)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331289420 374921682 /nfs/dbraw/zinc/92/16/82/374921682.db2.gz NYHBPEZXYBPZKS-NQBHXWOUSA-N 0 3 282.344 1.273 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCNCC1 ZINC000332273898 375021914 /nfs/dbraw/zinc/02/19/14/375021914.db2.gz FAVGMDQQUNEPOF-UHFFFAOYSA-N 0 3 278.312 1.730 20 5 CDBDHN C[C@H](NC[C@H](O)CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000305150277 375559379 /nfs/dbraw/zinc/55/93/79/375559379.db2.gz TWQHZTYIROBAAP-GWCFXTLKSA-N 0 3 267.329 1.168 20 5 CDBDHN C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000057718505 375565690 /nfs/dbraw/zinc/56/56/90/375565690.db2.gz XIMQBUQVERNMQR-VIFPVBQESA-N 0 3 292.339 1.390 20 5 CDBDHN C[C@H](O)CCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354728717 375746048 /nfs/dbraw/zinc/74/60/48/375746048.db2.gz IHLWJUSZDZHNPE-RYUDHWBXSA-N 0 3 294.355 1.637 20 5 CDBDHN Cc1nn(C)c(N[C@H]2C[C@H](C)N(C3CC3)C2)c1[N+](=O)[O-] ZINC000133522772 375794474 /nfs/dbraw/zinc/79/44/74/375794474.db2.gz FHMOIKYRYZGUHR-WPRPVWTQSA-N 0 3 279.344 1.674 20 5 CDBDHN C[C@@H](NC1CC1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296523659 376344049 /nfs/dbraw/zinc/34/40/49/376344049.db2.gz SFIVDCZBGKWGLY-NXEZZACHSA-N 0 3 277.324 1.913 20 5 CDBDHN COc1ccc(CN2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000435226658 248158096 /nfs/dbraw/zinc/15/80/96/248158096.db2.gz AJGDYERWIANTSH-UHFFFAOYSA-N 0 3 279.340 1.741 20 5 CDBDHN Cc1ccc(CN[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000447079496 250339593 /nfs/dbraw/zinc/33/95/93/250339593.db2.gz WCMYHGLFUFLNIK-CQSZACIVSA-N 0 3 280.324 1.534 20 5 CDBDHN Cc1nc(N(C)[C@H]2CCN(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000450333278 251228629 /nfs/dbraw/zinc/22/86/29/251228629.db2.gz GGLWWGWPAHSCIW-NSHDSACASA-N 0 3 277.328 1.366 20 5 CDBDHN CN(C)C/C=C\C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000491850122 253104390 /nfs/dbraw/zinc/10/43/90/253104390.db2.gz QATYODMRTJMRDL-ARJAWSKDSA-N 0 3 293.323 1.208 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC2(CO)CCOCC2)cc1 ZINC000069247996 285114214 /nfs/dbraw/zinc/11/42/14/285114214.db2.gz ULKQCXWVVBHDHO-UHFFFAOYSA-N 0 3 266.297 1.226 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1COCCO1)CCC2 ZINC000447533419 285143838 /nfs/dbraw/zinc/14/38/38/285143838.db2.gz RJNILEZTGARVJH-HIFRSBDPSA-N 0 3 292.335 1.977 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H](CO)CN2CCCCC2)nc1 ZINC000288835925 197175861 /nfs/dbraw/zinc/17/58/61/197175861.db2.gz CBMBCBGTWOSRSY-NSHDSACASA-N 0 3 280.328 1.249 20 5 CDBDHN C[C@@H]1[C@@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000286246837 390194438 /nfs/dbraw/zinc/19/44/38/390194438.db2.gz BZZZGXPNLIKEGM-PWSUYJOCSA-N 0 3 277.328 1.448 20 5 CDBDHN CO[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000451568998 390631509 /nfs/dbraw/zinc/63/15/09/390631509.db2.gz SFJWSEZYIXLEFB-NSHDSACASA-N 0 3 282.344 1.538 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C(N)=O)C1 ZINC000280805071 391474752 /nfs/dbraw/zinc/47/47/52/391474752.db2.gz SMGMEHRUQAKZJX-QMTHXVAHSA-N 0 3 277.324 1.853 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@]2(O)CCN(C)C2)c1 ZINC000358299723 391942343 /nfs/dbraw/zinc/94/23/43/391942343.db2.gz FOTQPTOFMSPQPN-ZDUSSCGKSA-N 0 3 265.313 1.382 20 5 CDBDHN Cc1cc(C(=O)N2CCN[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000262804372 131262836 /nfs/dbraw/zinc/26/28/36/131262836.db2.gz PVQZBVWYVLJBOW-MNOVXSKESA-N 0 3 277.324 1.726 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000430199668 393090828 /nfs/dbraw/zinc/09/08/28/393090828.db2.gz DDLUOEUAJGZLOY-LEWSCRJBSA-N 0 3 292.335 1.806 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000530916834 393057624 /nfs/dbraw/zinc/05/76/24/393057624.db2.gz QSBXFOGALJSXNE-JTQLQIEISA-N 0 3 292.339 1.249 20 5 CDBDHN O=C(N[C@@H]1CNCCC1(F)F)c1ccc([N+](=O)[O-])s1 ZINC000449654268 393137861 /nfs/dbraw/zinc/13/78/61/393137861.db2.gz DRHZMHDEGNULGC-SSDOTTSWSA-N 0 3 291.279 1.383 20 5 CDBDHN CNc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\CN(C)C ZINC000493783231 393219988 /nfs/dbraw/zinc/21/99/88/393219988.db2.gz HHYKVGMULGRRRC-PLNGDYQASA-N 0 3 278.312 1.693 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1O ZINC000186880385 140072182 /nfs/dbraw/zinc/07/21/82/140072182.db2.gz MJUXZVBRHIDRKI-RISCZKNCSA-N 0 3 280.324 1.676 20 5 CDBDHN CS[C@@H](CO)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000219074863 140167055 /nfs/dbraw/zinc/16/70/55/140167055.db2.gz JRYTZMPGOAQCGR-SKDRFNHKSA-N 0 3 270.354 1.797 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCCC[C@H]1C ZINC000343071562 152020863 /nfs/dbraw/zinc/02/08/63/152020863.db2.gz FTPINOSKRMRRAG-MNOVXSKESA-N 0 3 294.355 1.916 20 5 CDBDHN C[C@@H]1[C@@H](Nc2ncccc2[N+](=O)[O-])CCCN1C ZINC000343571687 152228365 /nfs/dbraw/zinc/22/83/65/152228365.db2.gz ZXDSEHXYCOFGHG-ZJUUUORDSA-N 0 3 250.302 1.884 20 5 CDBDHN CCOC(=O)c1ccnc(N[C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000343798130 152306095 /nfs/dbraw/zinc/30/60/95/152306095.db2.gz VIFDKDGFDAIPOU-SECBINFHSA-N 0 3 296.327 1.529 20 5 CDBDHN CCCN1CCC[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000343999360 152383578 /nfs/dbraw/zinc/38/35/78/152383578.db2.gz SVRWFSIFLCSQSS-VIFPVBQESA-N 0 3 270.358 1.760 20 5 CDBDHN COc1cc(CN2C[C@H](CO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000362072110 159059446 /nfs/dbraw/zinc/05/94/46/159059446.db2.gz KORGDFQEMLHZOP-ZYHUDNBSSA-N 0 3 280.324 1.664 20 5 CDBDHN O=[N+]([O-])c1cccc(CN[C@H]2CCc3c[nH]nc3C2)c1 ZINC000374543211 160294431 /nfs/dbraw/zinc/29/44/31/160294431.db2.gz ZVESQRSCZIKSNW-LBPRGKRZSA-N 0 3 272.308 1.965 20 5 CDBDHN CN1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000044563103 175206828 /nfs/dbraw/zinc/20/68/28/175206828.db2.gz SQGGSQKOWOTGES-SNVBAGLBSA-N 0 3 250.302 1.886 20 5 CDBDHN CN1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000078472921 177344559 /nfs/dbraw/zinc/34/45/59/177344559.db2.gz ZGQMZALPKNHUCB-VOTSOKGWSA-N 0 3 289.335 1.818 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000525804667 262366697 /nfs/dbraw/zinc/36/66/97/262366697.db2.gz IJVLKWYTKFSVDW-NSHDSACASA-N 0 3 277.324 1.666 20 5 CDBDHN C[C@@H](NC(=O)[C@@H](N)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000399016701 270366243 /nfs/dbraw/zinc/36/62/43/270366243.db2.gz GFRZPZPMIIVNRR-RNCFNFMXSA-N 0 3 277.324 1.899 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000040459110 273502318 /nfs/dbraw/zinc/50/23/18/273502318.db2.gz KERLFNHPMHFBMC-SNVBAGLBSA-N 0 3 251.286 1.907 20 5 CDBDHN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN1 ZINC000052783512 274364937 /nfs/dbraw/zinc/36/49/37/274364937.db2.gz DGPYAGRGPJKNJB-SNVBAGLBSA-N 0 3 272.308 1.941 20 5 CDBDHN COc1cccc(N2CC(N(C)C)C2)c1[N+](=O)[O-] ZINC000274647453 278015719 /nfs/dbraw/zinc/01/57/19/278015719.db2.gz CCWAQBROAAPFSJ-UHFFFAOYSA-N 0 3 251.286 1.354 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](CO)[C@@H]1CCCO1 ZINC000449295377 278220643 /nfs/dbraw/zinc/22/06/43/278220643.db2.gz RTVLIAUODPFKCK-ZLDLUXBVSA-N 0 3 294.351 1.655 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000286938679 278237854 /nfs/dbraw/zinc/23/78/54/278237854.db2.gz JTTXEFKSBPHZKV-JTQLQIEISA-N 0 3 280.328 1.073 20 5 CDBDHN C[C@H](CC(N)=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161371566 279250689 /nfs/dbraw/zinc/25/06/89/279250689.db2.gz DLADFMAVXLFJQM-RKDXNWHRSA-N 0 3 251.286 1.509 20 5 CDBDHN NC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000237792557 280187517 /nfs/dbraw/zinc/18/75/17/280187517.db2.gz CIYQWXFQBGNDLG-UHFFFAOYSA-N 0 3 292.339 1.394 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCNCC1 ZINC000044747635 280657884 /nfs/dbraw/zinc/65/78/84/280657884.db2.gz TUOHAUMJUWMZHE-UHFFFAOYSA-N 0 3 263.297 1.339 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N1CCNC(C)(C)C1 ZINC000212811714 280664817 /nfs/dbraw/zinc/66/48/17/280664817.db2.gz LCEHXQKIWITULK-UHFFFAOYSA-N 0 3 250.302 1.486 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCNCC2)c1 ZINC000088147199 281007686 /nfs/dbraw/zinc/00/76/86/281007686.db2.gz BNFCKJQZLVBEJG-UHFFFAOYSA-N 0 3 263.297 1.339 20 5 CDBDHN Cc1cccc(C(=O)N2CCCNCC2)c1[N+](=O)[O-] ZINC000019401602 281189885 /nfs/dbraw/zinc/18/98/85/281189885.db2.gz URDOTEWGWPJKKQ-UHFFFAOYSA-N 0 3 263.297 1.339 20 5 CDBDHN COCC(C)(C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000154866302 289219665 /nfs/dbraw/zinc/21/96/65/289219665.db2.gz PTGDWXYXTDNYCN-UHFFFAOYSA-N 0 3 295.339 1.856 20 5 CDBDHN COC[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000227690389 293109181 /nfs/dbraw/zinc/10/91/81/293109181.db2.gz VDONHHAPARNWNJ-MFKMUULPSA-N 0 3 268.313 1.907 20 5 CDBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CCN(C2CC2)C1 ZINC000568719271 294086813 /nfs/dbraw/zinc/08/68/13/294086813.db2.gz UPCQPAYQLFGWEN-NSHDSACASA-N 0 3 276.340 1.910 20 5 CDBDHN C[C@H]1C[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000578194465 317488266 /nfs/dbraw/zinc/48/82/66/317488266.db2.gz LZIUSGLBZDPDPD-NWDGAFQWSA-N 0 3 276.340 1.768 20 5 CDBDHN CCN(CCNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000338434388 521072119 /nfs/dbraw/zinc/07/21/19/521072119.db2.gz ANZVUZRNEWGOMZ-UHFFFAOYSA-N 0 3 277.324 1.809 20 5 CDBDHN CS[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1N(C)C ZINC000337027102 525914969 /nfs/dbraw/zinc/91/49/69/525914969.db2.gz WCZLUDDZXYWQEF-YUMQZZPRSA-N 0 3 288.398 1.533 20 5 CDBDHN Cc1c([C@H](C)NC[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000358224582 525918110 /nfs/dbraw/zinc/91/81/10/525918110.db2.gz RDQGSJODOQMZHM-NWDGAFQWSA-N 0 3 280.324 1.969 20 5 CDBDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000269177012 536472072 /nfs/dbraw/zinc/47/20/72/536472072.db2.gz ISQZXKIEJCULGQ-CMPLNLGQSA-N 0 3 292.339 1.479 20 5 CDBDHN O=[N+]([O-])c1cnn(CN2CC[C@H](N3CCCCC3)C2)c1 ZINC000730807613 575011628 /nfs/dbraw/zinc/01/16/28/575011628.db2.gz UFDKQYADNNAVAG-LBPRGKRZSA-N 0 3 279.344 1.309 20 5 CDBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)OCCN1CCCCC1 ZINC000770358693 575471467 /nfs/dbraw/zinc/47/14/67/575471467.db2.gz ABLIICWRTWNJDA-UHFFFAOYSA-N 0 3 296.327 1.129 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN(CCO)CC2CC2)c1 ZINC000750035929 576972807 /nfs/dbraw/zinc/97/28/07/576972807.db2.gz MJVXJDHTINPSDR-CQSZACIVSA-N 0 3 280.324 1.333 20 5 CDBDHN NC(=O)C1(NCCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000750049572 576973824 /nfs/dbraw/zinc/97/38/24/576973824.db2.gz DSNPOASUWUCJEY-UHFFFAOYSA-N 0 3 293.323 1.361 20 5 CDBDHN C[NH2+]C(C)(C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826073107 607838283 /nfs/dbraw/zinc/83/82/83/607838283.db2.gz FFORZFKQGDZXLO-UHFFFAOYSA-N 0 3 291.315 1.185 20 5 CDBDHN C[NH2+]C(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826073107 607838284 /nfs/dbraw/zinc/83/82/84/607838284.db2.gz FFORZFKQGDZXLO-UHFFFAOYSA-N 0 3 291.315 1.185 20 5 CDBDHN CC(COC(=O)c1ccnn1-c1ccccc1)[N+](=O)[O-] ZINC000813104426 617343062 /nfs/dbraw/zinc/34/30/62/617343062.db2.gz CKKUHISPYYRNDN-JTQLQIEISA-N 0 3 275.264 1.694 20 5 CDBDHN COc1c(O)ccc(CNC[C@H]2CCN2C)c1[N+](=O)[O-] ZINC000896595821 620161373 /nfs/dbraw/zinc/16/13/73/620161373.db2.gz PITAXYIIFDWJPU-SNVBAGLBSA-N 0 3 281.312 1.103 20 5 CDBDHN O=[N+]([O-])CCNCCc1ccccc1Br ZINC000905076552 626618813 /nfs/dbraw/zinc/61/88/13/626618813.db2.gz PYPIMWKCLDWUMK-UHFFFAOYSA-N 0 3 273.130 1.858 20 5 CDBDHN CCN1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910286410 628961667 /nfs/dbraw/zinc/96/16/67/628961667.db2.gz GTBXHERKYIGXSL-VIFPVBQESA-N 0 3 295.343 1.183 20 5 CDBDHN CCN1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000910286410 628961669 /nfs/dbraw/zinc/96/16/69/628961669.db2.gz GTBXHERKYIGXSL-VIFPVBQESA-N 0 3 295.343 1.183 20 5 CDBDHN C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC001170566062 1162932023 /nfs/dbraw/zinc/93/20/23/1162932023.db2.gz DMPHKLFAULFSIG-APPZFPTMSA-N 0 3 286.719 1.432 20 5 CDBDHN O=[N+]([O-])c1c[nH]c2ccc(N3CCN4CC[C@H]4C3)nc21 ZINC001158431652 1162996213 /nfs/dbraw/zinc/99/62/13/1162996213.db2.gz FPTVQQINRPOLHD-VIFPVBQESA-N 0 3 273.296 1.365 20 5 CDBDHN O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCNC[C@H]1F ZINC001580570144 1172470860 /nfs/dbraw/zinc/47/08/60/1172470860.db2.gz OIZGMVPNUSMZEI-GHMZBOCLSA-N 0 3 299.277 1.093 20 5 CDBDHN Cc1nc(N[C@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000123831461 1175272072 /nfs/dbraw/zinc/27/20/72/1175272072.db2.gz OPUKAYJCFJYUHP-NSHDSACASA-N 0 3 262.313 1.804 20 5 CDBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000796205271 837665673 /nfs/dbraw/zinc/66/56/73/837665673.db2.gz XCFZZDOPHNRUNA-ZIAGYGMSSA-N 0 3 280.324 1.739 20 5 CDBDHN CC[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217685 837710638 /nfs/dbraw/zinc/71/06/38/837710638.db2.gz GWBRYPGULMRUOM-SNVBAGLBSA-N 0 3 271.704 1.602 20 5 CDBDHN CC(C)(C)OC(=O)NC[C@@](C)(NCC[N+](=O)[O-])C1CC1 ZINC000791053183 835834551 /nfs/dbraw/zinc/83/45/51/835834551.db2.gz BKHMHRUANXIBGX-CYBMUJFWSA-N 0 3 287.360 1.546 20 5 CDBDHN CC(COC(=O)[C@H](C)OCCc1ccccc1)[N+](=O)[O-] ZINC000835454503 836389594 /nfs/dbraw/zinc/38/95/94/836389594.db2.gz KCSZYJJOAQYHJB-NEPJUHHUSA-N 0 3 281.308 1.843 20 5 CDBDHN CC(COC(=O)c1cccc(-n2ccnn2)c1)[N+](=O)[O-] ZINC000813107638 836511701 /nfs/dbraw/zinc/51/17/01/836511701.db2.gz PROSAEFASJYWRE-VIFPVBQESA-N 0 3 276.252 1.089 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CCO)C1CC1 ZINC000797520090 837002548 /nfs/dbraw/zinc/00/25/48/837002548.db2.gz IMTJCRVUADGCNQ-ZDUSSCGKSA-N 0 3 280.324 1.854 20 5 CDBDHN CC(COC(=O)c1cccc(-n2cccn2)c1)[N+](=O)[O-] ZINC000813103616 837225221 /nfs/dbraw/zinc/22/52/21/837225221.db2.gz RLTLXKXCBXAZOQ-JTQLQIEISA-N 0 3 275.264 1.694 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCN(C)C1 ZINC000850432095 837872577 /nfs/dbraw/zinc/87/25/77/837872577.db2.gz QZTWQFOYRXSVGM-GHMZBOCLSA-N 0 3 279.340 1.958 20 5 CDBDHN COc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1[N+](=O)[O-] ZINC000136476777 837891829 /nfs/dbraw/zinc/89/18/29/837891829.db2.gz MMSJCWLBZCVCAV-LLVKDONJSA-N 0 3 281.312 1.915 20 5 CDBDHN CC(COC(=O)[C@]1(C)Cc2ccccc2C(=O)O1)[N+](=O)[O-] ZINC000813103217 838001572 /nfs/dbraw/zinc/00/15/72/838001572.db2.gz AZCSELLXVNQXFA-OTYXRUKQSA-N 0 3 293.275 1.367 20 5 CDBDHN CC(COC(=O)Cn1ccc2ccccc2c1=O)[N+](=O)[O-] ZINC000813112483 838181727 /nfs/dbraw/zinc/18/17/27/838181727.db2.gz QPRWUXNVUOYZED-SNVBAGLBSA-N 0 3 290.275 1.210 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)OC(F)(F)O2)[N+](=O)[O-] ZINC000835454515 838830194 /nfs/dbraw/zinc/83/01/94/838830194.db2.gz KEZSDNNCZARHPH-LURJTMIESA-N 0 3 289.190 1.830 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN(CCCO)C2CC2)cc1 ZINC000776585610 839912889 /nfs/dbraw/zinc/91/28/89/839912889.db2.gz XUNKIDMNMGJYOD-CQSZACIVSA-N 0 3 280.324 1.475 20 5 CDBDHN N[C@H](CC1CC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000083458661 840813596 /nfs/dbraw/zinc/81/35/96/840813596.db2.gz KEXSTIJBTUYVSE-GFCCVEGCSA-N 0 3 263.297 1.338 20 5 CDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000776591234 840951491 /nfs/dbraw/zinc/95/14/91/840951491.db2.gz HUVOHKUZNDQVIW-KGLIPLIRSA-N 0 3 280.324 1.331 20 5 CDBDHN O=C(NCC1=CCN(C/C=C\Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000676251 841796451 /nfs/dbraw/zinc/79/64/51/841796451.db2.gz ZSPUGXHZTBZSRA-QBEVBOACSA-N 0 3 299.758 1.152 20 5 CDBDHN CC[C@@](N)(CO)N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220037 912306685 /nfs/dbraw/zinc/30/66/85/912306685.db2.gz SDEORIBELUIMQA-GWCFXTLKSA-N 0 3 267.329 1.173 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NC1(CO)CCCC1)CNC2 ZINC001167806916 900998898 /nfs/dbraw/zinc/99/88/98/900998898.db2.gz OPYJDJFVBLPLIM-UHFFFAOYSA-N 0 3 277.324 1.915 20 5 CDBDHN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@]1(C)CCCN(C)C1 ZINC001162337519 922343652 /nfs/dbraw/zinc/34/36/52/922343652.db2.gz PXFHOHXNFNOXHF-CYBMUJFWSA-N 0 3 280.328 1.433 20 5 CDBDHN Cc1nc(CN[C@H]2CC[C@H](C[N+](=O)[O-])C2)c(C)o1 ZINC001168959040 927580181 /nfs/dbraw/zinc/58/01/81/927580181.db2.gz SQTDZOCBDJKVHU-QWRGUYRKSA-N 0 3 253.302 1.826 20 5 CDBDHN CCn1ccc(CN[C@@H]2CC[C@H](C[N+](=O)[O-])C2)n1 ZINC001168972652 927596033 /nfs/dbraw/zinc/59/60/33/927596033.db2.gz NOMHZHUUNQBTNS-WDEREUQCSA-N 0 3 252.318 1.438 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ccccn3)CC2)C1 ZINC001169009874 927613405 /nfs/dbraw/zinc/61/34/05/927613405.db2.gz YPACDYVNLRHSCB-KGLIPLIRSA-N 0 3 290.367 1.649 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](n2ncc3c2CCNC3)C1 ZINC001169011028 927616161 /nfs/dbraw/zinc/61/61/61/927616161.db2.gz HKJWMXUXUFBFML-KOLCDFICSA-N 0 3 250.302 1.147 20 5 CDBDHN NCc1ccc(N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cn1 ZINC001168990502 927629656 /nfs/dbraw/zinc/62/96/56/927629656.db2.gz ZTIHRDLNFHJJEA-NXEZZACHSA-N 0 3 250.302 1.398 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC001169026591 927666264 /nfs/dbraw/zinc/66/62/64/927666264.db2.gz NBPWODJYOLMJBK-ILXRZTDVSA-N 0 3 297.399 1.228 20 5 CDBDHN CN(Cc1ccncn1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169055775 927671491 /nfs/dbraw/zinc/67/14/91/927671491.db2.gz QGESFCKOWWOOJS-JQWIXIFHSA-N 0 3 250.302 1.354 20 5 CDBDHN NCc1ccnn1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001155124992 937638361 /nfs/dbraw/zinc/63/83/61/937638361.db2.gz ILOXQABUFWXEND-UHFFFAOYSA-N 0 3 288.094 1.941 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC001158345366 938610590 /nfs/dbraw/zinc/61/05/90/938610590.db2.gz LWJXRHYEMRNMCQ-ZCFIWIBFSA-N 0 3 267.676 1.849 20 5 CDBDHN C[C@@H](N)c1ccn(-c2ncc([N+](=O)[O-])cc2Cl)n1 ZINC001158344681 938610858 /nfs/dbraw/zinc/61/08/58/938610858.db2.gz GRRUZKGRMMKDOH-ZCFIWIBFSA-N 0 3 267.676 1.849 20 5 CDBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CNCCO1 ZINC001159490427 938733199 /nfs/dbraw/zinc/73/31/99/938733199.db2.gz WINIQNLYTWJMRA-KOLCDFICSA-N 0 3 266.301 1.087 20 5 CDBDHN NCc1ccnn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001162593672 939098001 /nfs/dbraw/zinc/09/80/01/939098001.db2.gz ORABCOQCPZHOBK-UHFFFAOYSA-N 0 3 298.100 1.397 20 5 CDBDHN COc1nc(C)c(-n2nc(CN)cc2C)cc1[N+](=O)[O-] ZINC001163984791 939371552 /nfs/dbraw/zinc/37/15/52/939371552.db2.gz BITURKKAJFOCAR-UHFFFAOYSA-N 0 3 277.284 1.260 20 5 CDBDHN COc1ncc(Nc2ccncc2C)cc1[N+](=O)[O-] ZINC001210135677 940665541 /nfs/dbraw/zinc/66/55/41/940665541.db2.gz UUVZZHKNRUVTES-UHFFFAOYSA-N 0 3 260.253 1.867 20 5 CDBDHN Cc1nn(C)cc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262572446 946724114 /nfs/dbraw/zinc/72/41/14/946724114.db2.gz UWXWEDVKULPMNN-CQSZACIVSA-N 0 3 290.323 1.460 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCS(C)(=O)=O ZINC001254533137 947513194 /nfs/dbraw/zinc/51/31/94/947513194.db2.gz WFJWDLKWNBFWPI-SNVBAGLBSA-N 0 3 286.353 1.160 20 5 CDBDHN CN(Cc1cnn(C)c1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601084 947550545 /nfs/dbraw/zinc/55/05/45/947550545.db2.gz YQXNPNIGNMLZBQ-OAHLLOKOSA-N 0 3 286.335 1.928 20 5 CDBDHN COC(CN(C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)OC ZINC001254604312 947554239 /nfs/dbraw/zinc/55/42/39/947554239.db2.gz VDBZRCXOHLFPMW-ZDUSSCGKSA-N 0 3 280.324 1.613 20 5 CDBDHN N[C@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1F ZINC001246523330 948223130 /nfs/dbraw/zinc/22/31/30/948223130.db2.gz AXKZDAAVZRAMJL-CFVMTHIKSA-N 0 3 293.342 1.823 20 5 CDBDHN COc1c(O)ccc(CN[C@@H](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC001308637575 956555253 /nfs/dbraw/zinc/55/52/53/956555253.db2.gz MOIHELFKGGZZQF-IUCAKERBSA-N 0 3 284.312 1.558 20 5 CDBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC001308637575 956555264 /nfs/dbraw/zinc/55/52/64/956555264.db2.gz MOIHELFKGGZZQF-IUCAKERBSA-N 0 3 284.312 1.558 20 5 CDBDHN CCC[C@H](CCO)[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001308901587 956596715 /nfs/dbraw/zinc/59/67/15/956596715.db2.gz ZMFPPFYTNUKCOK-LLVKDONJSA-N 0 3 298.339 1.950 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN1CC[C@H]2OCCC[C@H]2C1 ZINC001331701087 957213785 /nfs/dbraw/zinc/21/37/85/957213785.db2.gz GHRODSAUQOICCH-WCQYABFASA-N 0 3 277.324 1.991 20 5 CDBDHN CSCC[C@H](N)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001341741414 963525512 /nfs/dbraw/zinc/52/55/12/963525512.db2.gz PXUPUPUJTWHDER-CABZTGNLSA-N 0 3 297.380 1.852 20 5 CDBDHN C[C@]1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CNCCO1 ZINC001576516258 1171445434 /nfs/dbraw/zinc/44/54/34/1171445434.db2.gz LQAZVBCFWXFZFK-CYBMUJFWSA-N 0 3 294.311 1.095 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1COC[C@H]1O)CCC2 ZINC000601291572 342549622 /nfs/dbraw/zinc/54/96/22/342549622.db2.gz MFJBVJMFOCPDDV-MELADBBJSA-N 0 3 278.308 1.322 20 5 CDBDHN Cc1c([C@H](C)N[C@@H]2COCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000601306567 342551328 /nfs/dbraw/zinc/55/13/28/342551328.db2.gz LTTYLDUPTWDCMA-ZKYQVNSYSA-N 0 3 280.324 1.704 20 5 CDBDHN O=C(CNC1CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000564834307 365527201 /nfs/dbraw/zinc/52/72/01/365527201.db2.gz RSMKNBYGYVTYPZ-UHFFFAOYSA-N 0 3 261.281 1.236 20 5 CDBDHN CO[C@H](C)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000608837829 342076930 /nfs/dbraw/zinc/07/69/30/342076930.db2.gz MMHMOXYUQQBCGP-SNVBAGLBSA-N 0 3 296.323 1.881 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@H]2C[C@H](F)CN2)c1 ZINC000591281868 342624257 /nfs/dbraw/zinc/62/42/57/342624257.db2.gz QFRMUSLHDMXVCW-QWRGUYRKSA-N 0 3 253.277 1.384 20 5 CDBDHN Cc1c(NC(=O)[C@H]2NCC2(C)C)cccc1[N+](=O)[O-] ZINC000591672265 342641392 /nfs/dbraw/zinc/64/13/92/342641392.db2.gz FOVZKLIIAKNYBP-LLVKDONJSA-N 0 3 263.297 1.840 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000592241729 342680750 /nfs/dbraw/zinc/68/07/50/342680750.db2.gz FRJFXADFGURUPN-CYBMUJFWSA-N 0 3 295.314 1.804 20 5 CDBDHN COc1cc(C(=O)N2CCNCC2(C)C)ccc1[N+](=O)[O-] ZINC000156738616 342163074 /nfs/dbraw/zinc/16/30/74/342163074.db2.gz IOCSDWVQVKESOP-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN CN(C)CCN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000080393325 342210755 /nfs/dbraw/zinc/21/07/55/342210755.db2.gz KYABNURGKGZENY-UHFFFAOYSA-N 0 3 297.380 1.707 20 5 CDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588775421 342221503 /nfs/dbraw/zinc/22/15/03/342221503.db2.gz DYPOPSSUHOQTGV-MWLCHTKSSA-N 0 3 293.327 1.017 20 5 CDBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000609382273 342263804 /nfs/dbraw/zinc/26/38/04/342263804.db2.gz AAGUPLPBBAQGAH-NSHDSACASA-N 0 3 295.364 1.870 20 5 CDBDHN C[C@@H](CCO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496279 342914234 /nfs/dbraw/zinc/91/42/34/342914234.db2.gz YYFKUJLJAFMCOO-CABZTGNLSA-N 0 3 250.298 1.943 20 5 CDBDHN CN1CCN(CCCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000075669945 342314333 /nfs/dbraw/zinc/31/43/33/342314333.db2.gz XKEPECHWFMFKCB-UHFFFAOYSA-N 0 3 293.371 1.429 20 5 CDBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595435495 343060285 /nfs/dbraw/zinc/06/02/85/343060285.db2.gz GNXXWGZMEYNZIC-VXGBXAGGSA-N 0 3 295.314 1.868 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000595541813 343093335 /nfs/dbraw/zinc/09/33/35/343093335.db2.gz CSQPUYLLQNCYBE-YPMHNXCESA-N 0 3 298.314 1.611 20 5 CDBDHN C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000595875580 343178166 /nfs/dbraw/zinc/17/81/66/343178166.db2.gz QYWYJWGUMGKSMG-DOMZBBRYSA-N 0 3 294.351 1.924 20 5 CDBDHN C[NH+](C)[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCSC1 ZINC000596148866 343244368 /nfs/dbraw/zinc/24/43/68/343244368.db2.gz HOXVGACRRJBVHW-LBPRGKRZSA-N 0 3 298.368 1.545 20 5 CDBDHN CCC[N@@H+]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596518903 343340660 /nfs/dbraw/zinc/34/06/60/343340660.db2.gz ZJKCJKWOJKAEIU-SECBINFHSA-N 0 3 266.301 1.592 20 5 CDBDHN CCC[N@H+]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596518903 343340661 /nfs/dbraw/zinc/34/06/61/343340661.db2.gz ZJKCJKWOJKAEIU-SECBINFHSA-N 0 3 266.301 1.592 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000598572040 343833016 /nfs/dbraw/zinc/83/30/16/343833016.db2.gz DPGIXOIJHXNYFV-ZDUSSCGKSA-N 0 3 277.324 1.665 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CCN1 ZINC000598573465 343833558 /nfs/dbraw/zinc/83/35/58/343833558.db2.gz JSXCRTMVTSGREO-LBPRGKRZSA-N 0 3 277.324 1.665 20 5 CDBDHN Cc1ccc([C@H](C)NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599094280 343953173 /nfs/dbraw/zinc/95/31/73/343953173.db2.gz SMBDFHLBKXFMDH-JSGCOSHPSA-N 0 3 293.367 1.620 20 5 CDBDHN CCCN1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601672229 344217318 /nfs/dbraw/zinc/21/73/18/344217318.db2.gz VMZVLGGTPOWWQY-SNVBAGLBSA-N 0 3 295.314 1.948 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601578599 344197276 /nfs/dbraw/zinc/19/72/76/344197276.db2.gz XNYXWFVMZASTTP-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1[C@H]1CCCO1 ZINC000602826245 344612160 /nfs/dbraw/zinc/61/21/60/344612160.db2.gz JUBCOHJEOONTIA-QWHCGFSZSA-N 0 3 294.355 1.743 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1[C@H](C)CC[C@@H]1C ZINC000602786232 344599348 /nfs/dbraw/zinc/59/93/48/344599348.db2.gz DRWPUSOIRZGGSW-AOOOYVTPSA-N 0 3 252.318 1.973 20 5 CDBDHN CC[C@@](C)(N)c1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1 ZINC000603224606 344738284 /nfs/dbraw/zinc/73/82/84/344738284.db2.gz SFANLWPOMXGWKO-CYBMUJFWSA-N 0 3 293.302 1.958 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@@H](CO)O2)cc1 ZINC000292812620 362509856 /nfs/dbraw/zinc/50/98/56/362509856.db2.gz WLOLDKFYQLSWCY-OLZOCXBDSA-N 0 3 266.297 1.224 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])CC(C)(C)CO ZINC000295126739 199358892 /nfs/dbraw/zinc/35/88/92/199358892.db2.gz AMAPJLZUACEFDJ-UHFFFAOYSA-N 0 3 282.340 1.924 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](C)C1 ZINC000610655811 346336800 /nfs/dbraw/zinc/33/68/00/346336800.db2.gz AUBLTHLHQPVMBG-JTQLQIEISA-N 0 3 252.318 1.832 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000086468423 362710970 /nfs/dbraw/zinc/71/09/70/362710970.db2.gz QSOZXJRBMRYWFC-VHSXEESVSA-N 0 3 278.312 1.809 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266069703 362712625 /nfs/dbraw/zinc/71/26/25/362712625.db2.gz KEJFOQMZUVWNTA-KOLCDFICSA-N 0 3 280.328 1.335 20 5 CDBDHN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000086467342 179297044 /nfs/dbraw/zinc/29/70/44/179297044.db2.gz RRCWQZQUYJLTDO-NXEZZACHSA-N 0 3 263.297 1.417 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000086467993 179298822 /nfs/dbraw/zinc/29/88/22/179298822.db2.gz MNPMVEVKIVWJGL-QWRGUYRKSA-N 0 3 277.324 1.726 20 5 CDBDHN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)CN1 ZINC000086468098 179299255 /nfs/dbraw/zinc/29/92/55/179299255.db2.gz QMXSMDNSLAPHFE-SFYZADRCSA-N 0 3 269.326 1.479 20 5 CDBDHN O=[N+]([O-])c1ccccc1CN(CCO)CC1CC1 ZINC000064516469 348942507 /nfs/dbraw/zinc/94/25/07/348942507.db2.gz YCDHNFZASFUYEH-UHFFFAOYSA-N 0 3 250.298 1.799 20 5 CDBDHN CCN(C)CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000091557166 180190916 /nfs/dbraw/zinc/19/09/16/180190916.db2.gz ISEVSYDCDCOXGR-UHFFFAOYSA-N 0 3 255.322 1.483 20 5 CDBDHN COC[C@@H](CCO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515669953 362957689 /nfs/dbraw/zinc/95/76/89/362957689.db2.gz FSSJOAGDGMBUHS-MFKMUULPSA-N 0 3 280.324 1.569 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(NC[C@H](C)N(C)C)c1 ZINC000155805459 188228665 /nfs/dbraw/zinc/22/86/65/188228665.db2.gz IOGABYOFNOUYMR-VIFPVBQESA-N 0 3 253.302 1.965 20 5 CDBDHN CC(C)[C@H](N)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000457373968 366165184 /nfs/dbraw/zinc/16/51/84/366165184.db2.gz LHGXNIOVBWDXJA-LBPRGKRZSA-N 0 3 279.340 1.929 20 5 CDBDHN Cc1nc(NCC2=CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000271744152 191301781 /nfs/dbraw/zinc/30/17/81/191301781.db2.gz AKTIUXJSIASZTD-UHFFFAOYSA-N 0 3 262.313 1.972 20 5 CDBDHN CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1N(C)C ZINC000271839962 191361411 /nfs/dbraw/zinc/36/14/11/191361411.db2.gz UEHFZXPPRWDUGH-UWVGGRQHSA-N 0 3 298.368 1.041 20 5 CDBDHN C[C@@H](CN1CCOCC1)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000036933005 295930239 /nfs/dbraw/zinc/93/02/39/295930239.db2.gz IJEFIICDPMQJNU-STQMWFEESA-N 0 3 293.367 1.966 20 5 CDBDHN CN(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCC1 ZINC000097935924 356956489 /nfs/dbraw/zinc/95/64/89/356956489.db2.gz XKMBEWARGHMTFO-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN Cc1cc(OC[C@@H](O)CN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000290529954 357210106 /nfs/dbraw/zinc/21/01/06/357210106.db2.gz DEFBZWVGSYSJKI-LBPRGKRZSA-N 0 3 280.324 1.737 20 5 CDBDHN C[C@@H]1CCCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181933819 357391682 /nfs/dbraw/zinc/39/16/82/357391682.db2.gz VWTMICHBUMYWPX-NEPJUHHUSA-N 0 3 280.324 1.819 20 5 CDBDHN COCCN1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000264654876 357746803 /nfs/dbraw/zinc/74/68/03/357746803.db2.gz XTBJYNPAMWUHTJ-AWEZNQCLSA-N 0 3 293.367 1.714 20 5 CDBDHN CN[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000566473948 357817842 /nfs/dbraw/zinc/81/78/42/357817842.db2.gz MUYGWUQKTRHRQF-VIFPVBQESA-N 0 3 263.297 1.087 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](O)C1 ZINC000074325219 357909590 /nfs/dbraw/zinc/90/95/90/357909590.db2.gz MJCHZGUWHNMGEX-GFCCVEGCSA-N 0 3 293.323 1.298 20 5 CDBDHN C[C@H](NC1CC1)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000294854905 199215789 /nfs/dbraw/zinc/21/57/89/199215789.db2.gz VGKCMQIXVKCXQT-JTQLQIEISA-N 0 3 292.339 1.263 20 5 CDBDHN Cc1nc(N[C@H]2CCCN(CCCO)C2)ccc1[N+](=O)[O-] ZINC000294852590 199214686 /nfs/dbraw/zinc/21/46/86/199214686.db2.gz BHLXLBZMMVOWTE-LBPRGKRZSA-N 0 3 294.355 1.557 20 5 CDBDHN C[C@@H]1SCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000176248901 358750487 /nfs/dbraw/zinc/75/04/87/358750487.db2.gz HRJCDHVWERQQGB-UWVGGRQHSA-N 0 3 270.358 1.617 20 5 CDBDHN C[C@H]1SCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1C ZINC000176248933 358750510 /nfs/dbraw/zinc/75/05/10/358750510.db2.gz HRJCDHVWERQQGB-VHSXEESVSA-N 0 3 270.358 1.617 20 5 CDBDHN CSC[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000135449574 358754813 /nfs/dbraw/zinc/75/48/13/358754813.db2.gz UWXMWEABQZUGNM-JTQLQIEISA-N 0 3 270.358 1.619 20 5 CDBDHN COc1ccc(CN[C@H](C)[C@H](C)O)cc1[N+](=O)[O-] ZINC000342206174 358966651 /nfs/dbraw/zinc/96/66/51/358966651.db2.gz PXTHZEUKZUEDLP-BDAKNGLRSA-N 0 3 254.286 1.462 20 5 CDBDHN CCN(C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000054127932 359159034 /nfs/dbraw/zinc/15/90/34/359159034.db2.gz GDWAEALYRQCUET-UHFFFAOYSA-N 0 3 291.311 1.195 20 5 CDBDHN COc1cc(CNCC(C)(C)O)c([N+](=O)[O-])cc1OC ZINC000111385825 359221258 /nfs/dbraw/zinc/22/12/58/359221258.db2.gz WKDAHQGVAZVGQH-UHFFFAOYSA-N 0 3 284.312 1.473 20 5 CDBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000339627371 359419631 /nfs/dbraw/zinc/41/96/31/359419631.db2.gz AKVHGQOOAGTOHT-NSHDSACASA-N 0 3 268.313 1.676 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000054132267 359425171 /nfs/dbraw/zinc/42/51/71/359425171.db2.gz WZUCFBVMCYMWHY-UHFFFAOYSA-N 0 3 280.328 1.318 20 5 CDBDHN CN(C)C[C@@](C)(O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000153999984 237025710 /nfs/dbraw/zinc/02/57/10/237025710.db2.gz UPRMBZBSJVNYBU-ZDUSSCGKSA-N 0 3 296.327 1.029 20 5 CDBDHN COc1ccc(CN(CCO)C(C)C)cc1[N+](=O)[O-] ZINC000050103626 359571398 /nfs/dbraw/zinc/57/13/98/359571398.db2.gz WBCUTTNUSAWVFL-UHFFFAOYSA-N 0 3 268.313 1.806 20 5 CDBDHN Cc1nc(N[C@@H]2CN(C3CC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297332685 200151999 /nfs/dbraw/zinc/15/19/99/200151999.db2.gz AHUZFPIITIZRAM-GZMMTYOYSA-N 0 3 277.328 1.588 20 5 CDBDHN C[C@@H](O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000135642834 359803856 /nfs/dbraw/zinc/80/38/56/359803856.db2.gz VYQQTGRISIIEJE-LLVKDONJSA-N 0 3 252.314 1.840 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@]1(O)CCSC1 ZINC000176753702 189007709 /nfs/dbraw/zinc/00/77/09/189007709.db2.gz KXKXWKPFHAJTPL-GFCCVEGCSA-N 0 3 268.338 1.552 20 5 CDBDHN CCN1CCN(CCNc2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000178168057 189094836 /nfs/dbraw/zinc/09/48/36/189094836.db2.gz NLIBLYLPZSTTRQ-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000136048856 360675604 /nfs/dbraw/zinc/67/56/04/360675604.db2.gz IJDDNTZBVCXJJE-MNOVXSKESA-N 0 3 277.324 1.346 20 5 CDBDHN C[C@@H](NC[C@@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000180445148 189256059 /nfs/dbraw/zinc/25/60/59/189256059.db2.gz WZNCCCWILJEIKS-BXUZGUMPSA-N 0 3 290.323 1.503 20 5 CDBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])cc1F ZINC000408468929 361205799 /nfs/dbraw/zinc/20/57/99/361205799.db2.gz ONKRPGPBGKGWJO-SKDRFNHKSA-N 0 3 282.319 1.905 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCCO)C2)nc1 ZINC000304335062 239358779 /nfs/dbraw/zinc/35/87/79/239358779.db2.gz WKEVTAJCAFPFMV-NSHDSACASA-N 0 3 280.328 1.249 20 5 CDBDHN C[C@@H](CN1CCCCCC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302485832 364506936 /nfs/dbraw/zinc/50/69/36/364506936.db2.gz YWOXWJIXVLJHHD-JTQLQIEISA-N 0 3 294.359 1.643 20 5 CDBDHN CC[C@@H](NC[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000181731228 365037760 /nfs/dbraw/zinc/03/77/60/365037760.db2.gz KSNITOHQSQVYJT-KGLIPLIRSA-N 0 3 280.324 1.787 20 5 CDBDHN Cc1cc(CNCCc2cccc([N+](=O)[O-])c2)nn1C ZINC000414367050 241172832 /nfs/dbraw/zinc/17/28/32/241172832.db2.gz PHTWWKKLBNBBGX-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN Cc1ccc(CN2CC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000414496548 241233944 /nfs/dbraw/zinc/23/39/44/241233944.db2.gz IONVNINDOVJFCT-CYBMUJFWSA-N 0 3 291.351 1.813 20 5 CDBDHN Cc1nc(N2CCC[C@@H]3CN(C)CC[C@H]32)ncc1[N+](=O)[O-] ZINC000297361152 367132342 /nfs/dbraw/zinc/13/23/42/367132342.db2.gz CBPFJQADDWBGFM-VXGBXAGGSA-N 0 3 291.355 1.614 20 5 CDBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cncc(F)c1 ZINC000090537892 367570399 /nfs/dbraw/zinc/57/03/99/367570399.db2.gz QTYXJOHXDADFRQ-VIFPVBQESA-N 0 3 279.275 1.676 20 5 CDBDHN CC[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])N(C)C ZINC000153397321 367813773 /nfs/dbraw/zinc/81/37/73/367813773.db2.gz HEZNGIYVGGCTAX-NSHDSACASA-N 0 3 265.313 1.551 20 5 CDBDHN CN(C)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000299344459 372548752 /nfs/dbraw/zinc/54/87/52/372548752.db2.gz SDQMFCDKHBQVHE-UHFFFAOYSA-N 0 3 290.323 1.227 20 5 CDBDHN Cc1cc(N(C)C2CCN(CCO)CC2)ccc1[N+](=O)[O-] ZINC000356732462 373041134 /nfs/dbraw/zinc/04/11/34/373041134.db2.gz JXXAUYVIQFYAFB-UHFFFAOYSA-N 0 3 293.367 1.796 20 5 CDBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H]3CCC[C@@H]32)c1 ZINC000610762680 374133648 /nfs/dbraw/zinc/13/36/48/374133648.db2.gz NXSMNHXKKHVNHF-KYOSRNDESA-N 0 3 292.335 1.819 20 5 CDBDHN O=C(Nc1cccc([N+](=O)[O-])c1)[C@]1(F)CCNC1 ZINC000376790082 374568813 /nfs/dbraw/zinc/56/88/13/374568813.db2.gz UBOYHEFCWXEHTN-NSHDSACASA-N 0 3 253.233 1.235 20 5 CDBDHN COc1cc(C[NH2+][C@H](C)CC(C)(C)O)c([N+](=O)[O-])cc1[O-] ZINC000449452919 374810743 /nfs/dbraw/zinc/81/07/43/374810743.db2.gz VKYHKZGTMOBMBW-SECBINFHSA-N 0 3 298.339 1.948 20 5 CDBDHN CCN1C[C@H](N[C@H](C)Cc2ccccc2[N+](=O)[O-])CC1=O ZINC000449523663 374816728 /nfs/dbraw/zinc/81/67/28/374816728.db2.gz YYKVNIBJSGYQIR-DGCLKSJQSA-N 0 3 291.351 1.736 20 5 CDBDHN CC[C@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H](C)O ZINC000449532958 374819396 /nfs/dbraw/zinc/81/93/96/374819396.db2.gz AUOSSXQWHGQCTK-KOLCDFICSA-N 0 3 298.339 1.861 20 5 CDBDHN CC1CCN(CCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000330478147 374856164 /nfs/dbraw/zinc/85/61/64/374856164.db2.gz MYWTVPLYEYYGDJ-UHFFFAOYSA-N 0 3 294.355 1.395 20 5 CDBDHN C[C@@H](O)C[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000331332567 374930442 /nfs/dbraw/zinc/93/04/42/374930442.db2.gz SIFMWIWYBBVZLG-VXGBXAGGSA-N 0 3 282.344 1.417 20 5 CDBDHN C[C@@H](CO)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000282890352 375105569 /nfs/dbraw/zinc/10/55/69/375105569.db2.gz WCGZHZKVUBMWMA-JTQLQIEISA-N 0 3 254.286 1.286 20 5 CDBDHN CN(C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284060678 375130061 /nfs/dbraw/zinc/13/00/61/375130061.db2.gz QJMZQRHWYFPVTP-UHFFFAOYSA-N 0 3 286.719 1.931 20 5 CDBDHN CC[C@@H](CNc1c([N+](=O)[O-])ncn1C)N1CCCC1 ZINC000029623276 375450231 /nfs/dbraw/zinc/45/02/31/375450231.db2.gz IEXUNUOJNNYQSW-JTQLQIEISA-N 0 3 267.333 1.615 20 5 CDBDHN O=[N+]([O-])c1cc(CNC[C@H](CO)C2CC2)cs1 ZINC000353153419 375581998 /nfs/dbraw/zinc/58/19/98/375581998.db2.gz NLKJTJACFTWXAT-SNVBAGLBSA-N 0 3 256.327 1.764 20 5 CDBDHN CSC[C@@](C)(O)CNCc1ccccc1[N+](=O)[O-] ZINC000217861605 375751071 /nfs/dbraw/zinc/75/10/71/375751071.db2.gz IHCXSTWYCXDEAM-LBPRGKRZSA-N 0 3 270.354 1.798 20 5 CDBDHN C[C@@H]1[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCCN1C ZINC000345166590 377403659 /nfs/dbraw/zinc/40/36/59/377403659.db2.gz SQUNEEYHRCNZNN-ZJUUUORDSA-N 0 3 293.327 1.016 20 5 CDBDHN C[C@@H](Cn1cncn1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266834970 377463697 /nfs/dbraw/zinc/46/36/97/377463697.db2.gz FITSQDJGHMSAAF-QWRGUYRKSA-N 0 3 275.312 1.926 20 5 CDBDHN COc1cccc(C(=O)NC[C@@H](C)N(C)C)c1[N+](=O)[O-] ZINC000443945215 250064342 /nfs/dbraw/zinc/06/43/42/250064342.db2.gz GOBPSLSCKRFFIO-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cnnn1C ZINC000449330137 379641470 /nfs/dbraw/zinc/64/14/70/379641470.db2.gz SBJKRXRPUFRTNS-SNVBAGLBSA-N 0 3 275.312 1.444 20 5 CDBDHN CCN(C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491848093 253103618 /nfs/dbraw/zinc/10/36/18/253103618.db2.gz RGALBTYJUQJDDR-ALCCZGGFSA-N 0 3 295.314 1.815 20 5 CDBDHN CN(C)C/C=C\C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000491684201 253095790 /nfs/dbraw/zinc/09/57/90/253095790.db2.gz CVEVJNSBKPHSOC-YVMONPNESA-N 0 3 292.339 1.241 20 5 CDBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000505770472 254094532 /nfs/dbraw/zinc/09/45/32/254094532.db2.gz GCSCLXPTLCLSOU-UHFFFAOYSA-N 0 3 294.355 1.347 20 5 CDBDHN COCC[C@@H](CO)NCc1cccc([N+](=O)[O-])c1 ZINC000282153113 195523105 /nfs/dbraw/zinc/52/31/05/195523105.db2.gz HWJSWGVVMXLBOO-NSHDSACASA-N 0 3 254.286 1.082 20 5 CDBDHN CN(C)CCN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000267134834 391243342 /nfs/dbraw/zinc/24/33/42/391243342.db2.gz SIDHUJNZLVZQRN-UHFFFAOYSA-N 0 3 294.355 1.051 20 5 CDBDHN CCN(CCO)CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000184547153 391526560 /nfs/dbraw/zinc/52/65/60/391526560.db2.gz PCOWRPYMYRMAFH-UHFFFAOYSA-N 0 3 281.356 1.307 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCC[C@H]1O ZINC000245553344 391992206 /nfs/dbraw/zinc/99/22/06/391992206.db2.gz RGZVTZWBUOMUCL-VXGBXAGGSA-N 0 3 282.344 1.274 20 5 CDBDHN CCN1CCN(CCNc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000266863817 131789488 /nfs/dbraw/zinc/78/94/88/131789488.db2.gz XTSNPJQAEMUBKM-UHFFFAOYSA-N 0 3 293.371 1.348 20 5 CDBDHN CCC[C@@H](O)[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000419812895 392897414 /nfs/dbraw/zinc/89/74/14/392897414.db2.gz IJMQNAFAESFMSV-DGCLKSJQSA-N 0 3 298.339 1.215 20 5 CDBDHN CCC[C@H]1CNCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000420242237 392911942 /nfs/dbraw/zinc/91/19/42/392911942.db2.gz WLRZCJIXQMIJJN-JTQLQIEISA-N 0 3 265.317 1.272 20 5 CDBDHN CCC[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269144885 132119963 /nfs/dbraw/zinc/11/99/63/132119963.db2.gz ZTRDZOHCKOUDCT-NSHDSACASA-N 0 3 285.731 1.992 20 5 CDBDHN Cc1cc(C(=O)N[C@H]2CNCCC2(F)F)cc([N+](=O)[O-])c1 ZINC000449667556 393137776 /nfs/dbraw/zinc/13/77/76/393137776.db2.gz VDNSVFWXUCOZRJ-NSHDSACASA-N 0 3 299.277 1.630 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000252551791 140320294 /nfs/dbraw/zinc/32/02/94/140320294.db2.gz PYASEPOENMUAGQ-KBPBESRZSA-N 0 3 277.324 1.870 20 5 CDBDHN CCOC(=O)N1CCC(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000496788377 413115553 /nfs/dbraw/zinc/11/55/53/413115553.db2.gz ZBRWERYSXRFVHT-VIFPVBQESA-N 0 3 288.300 1.063 20 5 CDBDHN C[C@H](CN(C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000311407667 149213175 /nfs/dbraw/zinc/21/31/75/149213175.db2.gz JQMDIQGCFXNLED-SSDOTTSWSA-N 0 3 281.341 1.962 20 5 CDBDHN CC(=O)NCCCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352549582 155264718 /nfs/dbraw/zinc/26/47/18/155264718.db2.gz DHOIWPNMAJQOEG-UHFFFAOYSA-N 0 3 279.340 1.595 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 ZINC000344035334 152398329 /nfs/dbraw/zinc/39/83/29/152398329.db2.gz RQTHRSFYZGEZFK-TUKIKUTGSA-N 0 3 292.335 1.676 20 5 CDBDHN CCOc1ccc([C@@H](C)N[C@H](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000349243387 154073275 /nfs/dbraw/zinc/07/32/75/154073275.db2.gz BWETXKMRWGIZLX-NXEZZACHSA-N 0 3 295.339 1.908 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN(C)C)c1 ZINC000284444872 196056900 /nfs/dbraw/zinc/05/69/00/196056900.db2.gz QLEXXRWVDYAIGM-UHFFFAOYSA-N 0 3 295.339 1.627 20 5 CDBDHN COCCOCCCNCc1ccc([N+](=O)[O-])cc1 ZINC000020192757 171058737 /nfs/dbraw/zinc/05/87/37/171058737.db2.gz GMSQANFUZZBPAI-UHFFFAOYSA-N 0 3 268.313 1.738 20 5 CDBDHN CNC(=O)C(C)(C)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285123773 196201848 /nfs/dbraw/zinc/20/18/48/196201848.db2.gz LEKAALMXLZPWIJ-VIFPVBQESA-N 0 3 294.355 1.600 20 5 CDBDHN Cc1nn(C)c(NC[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000044538001 175199452 /nfs/dbraw/zinc/19/94/52/175199452.db2.gz FZFVNUKSHMITDE-JTQLQIEISA-N 0 3 267.333 1.390 20 5 CDBDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000044537662 175199967 /nfs/dbraw/zinc/19/99/67/175199967.db2.gz XFTBPQVVPKVWTH-JTQLQIEISA-N 0 3 250.302 1.744 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000525804631 262366715 /nfs/dbraw/zinc/36/67/15/262366715.db2.gz HQDFCQOCYMQANI-SECBINFHSA-N 0 3 283.353 1.728 20 5 CDBDHN C[C@H]1[C@H](N2CCCC2)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000286246826 274643457 /nfs/dbraw/zinc/64/34/57/274643457.db2.gz BZZZGXPNLIKEGM-CMPLNLGQSA-N 0 3 277.328 1.448 20 5 CDBDHN Nc1nc(N2CCC[C@H]2CN2CCCC2)ncc1[N+](=O)[O-] ZINC000275074051 274965982 /nfs/dbraw/zinc/96/59/82/274965982.db2.gz VXEIEKHSPCCGID-JTQLQIEISA-N 0 3 292.343 1.032 20 5 CDBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000355481205 277040212 /nfs/dbraw/zinc/04/02/12/277040212.db2.gz SUQNRSNHGGMNII-JTQLQIEISA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@H](NCCNc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000361971251 279470877 /nfs/dbraw/zinc/47/08/77/279470877.db2.gz KTAXRTOODJWYEQ-NSHDSACASA-N 0 3 287.323 1.569 20 5 CDBDHN COC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000541593810 289500878 /nfs/dbraw/zinc/50/08/78/289500878.db2.gz BYTYMQPUAIGEBB-LBPRGKRZSA-N 0 3 295.339 1.454 20 5 CDBDHN COCC[C@@H](N)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000052808102 521821615 /nfs/dbraw/zinc/82/16/15/521821615.db2.gz NEFWPUAOTUVKSN-JOYOIKCWSA-N 0 3 281.312 1.136 20 5 CDBDHN C[C@@H](CNc1ncccc1[N+](=O)[O-])N(C)C1CC1 ZINC000068913154 524762005 /nfs/dbraw/zinc/76/20/05/524762005.db2.gz OBIDSOARFBTUKP-VIFPVBQESA-N 0 3 250.302 1.884 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC3(C2)CCOCC3)n1 ZINC000363361308 527406620 /nfs/dbraw/zinc/40/66/20/527406620.db2.gz ROYBJNHHOVMDCV-UHFFFAOYSA-N 0 3 280.328 1.294 20 5 CDBDHN CC[C@H](C)[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237030879 535952026 /nfs/dbraw/zinc/95/20/26/535952026.db2.gz CLNLDRTZQCUDJF-GWCFXTLKSA-N 0 3 294.355 1.496 20 5 CDBDHN CNC(=O)[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449202866 545520324 /nfs/dbraw/zinc/52/03/24/545520324.db2.gz KOIJVWYMZKCQLF-RISCZKNCSA-N 0 3 293.367 1.886 20 5 CDBDHN CN1CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000729681471 574820367 /nfs/dbraw/zinc/82/03/67/574820367.db2.gz DIBRGHWCQSRASG-LLVKDONJSA-N 0 3 293.323 1.160 20 5 CDBDHN CN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCC1 ZINC000759875606 576439896 /nfs/dbraw/zinc/43/98/96/576439896.db2.gz CVBUDXIPNOZMLH-CYBMUJFWSA-N 0 3 280.324 1.475 20 5 CDBDHN C[C@@H]1CCCN1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744344310 576675451 /nfs/dbraw/zinc/67/54/51/576675451.db2.gz AHGGLXWUUUZIHO-SNVBAGLBSA-N 0 3 295.314 1.948 20 5 CDBDHN CC(COC(=O)c1ccc2c(c1)NC(=O)CS2)[N+](=O)[O-] ZINC000813113346 617347314 /nfs/dbraw/zinc/34/73/14/617347314.db2.gz ZDCZHCVYBUYVCT-SSDOTTSWSA-N 0 3 296.304 1.553 20 5 CDBDHN Cn1cc(CNCCn2cc([N+](=O)[O-])cn2)c(C2CC2)n1 ZINC000893135760 617401784 /nfs/dbraw/zinc/40/17/84/617401784.db2.gz SPDLORMRNWUSGP-UHFFFAOYSA-N 0 3 290.327 1.192 20 5 CDBDHN C[C@@H]1CCCN(CCNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891838372 617633904 /nfs/dbraw/zinc/63/39/04/617633904.db2.gz QZPBXQOJSDCMMG-SNVBAGLBSA-N 0 3 267.333 1.472 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]CC2CCOCC2)c1[N+](=O)[O-] ZINC000892812620 617777744 /nfs/dbraw/zinc/77/77/44/617777744.db2.gz ZBEXTLHCHOTMFZ-UHFFFAOYSA-N 0 3 296.323 1.825 20 5 CDBDHN CC(COC(=O)[C@H]1CCN(C)c2ccccc21)[N+](=O)[O-] ZINC000893045456 618094111 /nfs/dbraw/zinc/09/41/11/618094111.db2.gz XSVVIRHBINXVIS-JQWIXIFHSA-N 0 3 278.308 1.819 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCC[C@@H](O)C1CC1 ZINC000898205548 621362876 /nfs/dbraw/zinc/36/28/76/621362876.db2.gz DTNWUUFOPHYLLL-CYBMUJFWSA-N 0 3 250.298 1.845 20 5 CDBDHN CC(C)Oc1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000905036830 626378063 /nfs/dbraw/zinc/37/80/63/626378063.db2.gz VIHZSKSJNFNQDD-UHFFFAOYSA-N 0 3 252.314 1.883 20 5 CDBDHN C[C@@H]1CN(Cc2cccc(CNCC[N+](=O)[O-])c2)CCO1 ZINC000905060112 626609915 /nfs/dbraw/zinc/60/99/15/626609915.db2.gz KIOKQNLXTVAZMM-CYBMUJFWSA-N 0 3 293.367 1.274 20 5 CDBDHN CC(C)(C)OC(=O)N1CCCC[C@H]1CNCC[N+](=O)[O-] ZINC000905063511 626611679 /nfs/dbraw/zinc/61/16/79/626611679.db2.gz AUERZVOMBSHRBC-NSHDSACASA-N 0 3 287.360 1.642 20 5 CDBDHN COc1cccc(OCCCNCC[N+](=O)[O-])c1 ZINC000905132829 626647294 /nfs/dbraw/zinc/64/72/94/626647294.db2.gz JBMGHNSCOXHLJJ-UHFFFAOYSA-N 0 3 254.286 1.330 20 5 CDBDHN Cc1nn(C)cc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000157710610 1178207251 /nfs/dbraw/zinc/20/72/51/1178207251.db2.gz SYTYHOCEVUOBQW-CQSZACIVSA-N 0 3 290.323 1.460 20 5 CDBDHN O=[N+]([O-])c1c(Cl)ccnc1N1CCNC2(CC2)C1 ZINC001158933407 1163841088 /nfs/dbraw/zinc/84/10/88/1163841088.db2.gz OXVPTXPIWYZTQE-UHFFFAOYSA-N 0 3 268.704 1.585 20 5 CDBDHN CC(COC(=O)c1n[nH]c2c1CCCC2)[N+](=O)[O-] ZINC000813104449 843072951 /nfs/dbraw/zinc/07/29/51/843072951.db2.gz CVXLYHIXEUWVDC-ZETCQYMHSA-N 0 3 253.258 1.111 20 5 CDBDHN CO[C@H]1C[C@@H](NCc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229992 843328642 /nfs/dbraw/zinc/32/86/42/843328642.db2.gz ZAVDMRHAEAVLCA-MNOVXSKESA-N 0 3 265.313 1.893 20 5 CDBDHN CN(Cc1cccnc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000886005685 843897411 /nfs/dbraw/zinc/89/74/11/843897411.db2.gz HXJBABWGMKPVPL-ZDUSSCGKSA-N 0 3 276.340 1.658 20 5 CDBDHN Nc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C3CC3)C2)c1 ZINC000853231934 845255363 /nfs/dbraw/zinc/25/53/63/845255363.db2.gz PABGVKUNKAUCSZ-JTQLQIEISA-N 0 3 262.313 1.826 20 5 CDBDHN Cc1nc2c(cccc2C(=O)OCC(C)[N+](=O)[O-])o1 ZINC000813104921 845725561 /nfs/dbraw/zinc/72/55/61/845725561.db2.gz SVSMKXNMDBWNEM-ZETCQYMHSA-N 0 3 264.237 1.958 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CC([C@H]3CCOC3)C2)cc1 ZINC000795550619 845740053 /nfs/dbraw/zinc/74/00/53/845740053.db2.gz HNTYOTLKPBDLGO-WFASDCNBSA-N 0 3 292.335 1.597 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H](CF)C1 ZINC000880238461 846017072 /nfs/dbraw/zinc/01/70/72/846017072.db2.gz HIHJFASBZKZUSQ-LLVKDONJSA-N 0 3 270.308 1.781 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782613413 846048141 /nfs/dbraw/zinc/04/81/41/846048141.db2.gz ICBYBJQRSDHZCQ-SMDDNHRTSA-N 0 3 278.308 1.288 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](N)CC1CC1 ZINC000311751526 846059196 /nfs/dbraw/zinc/05/91/96/846059196.db2.gz ZEWKKCRUQOAPMS-NSHDSACASA-N 0 3 263.297 1.969 20 5 CDBDHN O=[N+]([O-])CCN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000929311948 846231711 /nfs/dbraw/zinc/23/17/11/846231711.db2.gz WKFOBOJCOLBFCD-STQMWFEESA-N 0 3 261.325 1.331 20 5 CDBDHN O=[N+]([O-])c1ncccc1CN[C@@H]1CCC[C@H]1CCO ZINC000886169965 846946809 /nfs/dbraw/zinc/94/68/09/846946809.db2.gz MMDKIZSVHZDHRN-CMPLNLGQSA-N 0 3 265.313 1.631 20 5 CDBDHN CC(COC(=O)c1c[nH]nc1-c1ccccn1)[N+](=O)[O-] ZINC000813114763 847821510 /nfs/dbraw/zinc/82/15/10/847821510.db2.gz WJJDNXBBKJJKJM-QMMMGPOBSA-N 0 3 276.252 1.294 20 5 CDBDHN CC[C@](N)(CO)N[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220040 912305679 /nfs/dbraw/zinc/30/56/79/912305679.db2.gz SDEORIBELUIMQA-ZWNOBZJWSA-N 0 3 267.329 1.173 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](N)CC(F)F)CC2 ZINC000843495260 937156523 /nfs/dbraw/zinc/15/65/23/937156523.db2.gz PYPBZZFHWVKGRI-VIFPVBQESA-N 0 3 299.277 1.775 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCCCC23COC3)C1 ZINC001169037256 927647936 /nfs/dbraw/zinc/64/79/36/927647936.db2.gz RLWNXAVLEYRTJR-VXGBXAGGSA-N 0 3 254.330 1.687 20 5 CDBDHN CCCN(CC(=O)OCC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039707 927649422 /nfs/dbraw/zinc/64/94/22/927649422.db2.gz SNHFKXJKIKBRCU-RYUDHWBXSA-N 0 3 272.345 1.707 20 5 CDBDHN COc1cc(C)nc(N[C@H](C)[C@@H]2CNCCO2)c1[N+](=O)[O-] ZINC001159500201 930315695 /nfs/dbraw/zinc/31/56/95/930315695.db2.gz WLWPPDFQAHGUIU-KOLCDFICSA-N 0 3 296.327 1.096 20 5 CDBDHN CCCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001123666686 936197953 /nfs/dbraw/zinc/19/79/53/936197953.db2.gz QMDIQOYAFZWODI-UHFFFAOYSA-N 0 3 279.340 1.991 20 5 CDBDHN CSCC[C@H](N)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001122598892 937945076 /nfs/dbraw/zinc/94/50/76/937945076.db2.gz CVHRJQRBHJJTMZ-NSHDSACASA-N 0 3 283.353 1.922 20 5 CDBDHN Cc1nc(N2CCN[C@H](c3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001157766960 938542753 /nfs/dbraw/zinc/54/27/53/938542753.db2.gz QXOJOOUXEDZVKV-ZDUSSCGKSA-N 0 3 299.334 1.844 20 5 CDBDHN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CNCCO1 ZINC001159488501 938731852 /nfs/dbraw/zinc/73/18/52/938731852.db2.gz DXCLJCRQNCVQPE-XCBNKYQSSA-N 0 3 286.719 1.432 20 5 CDBDHN CN1CCC[C@](C)(Nc2cc([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001162331135 939025580 /nfs/dbraw/zinc/02/55/80/939025580.db2.gz LQBXEDXAFAHXOX-LBPRGKRZSA-N 0 3 266.301 1.124 20 5 CDBDHN CN(C)C1CN(c2ccc3cccc([N+](=O)[O-])c3n2)C1 ZINC001163933295 939357038 /nfs/dbraw/zinc/35/70/38/939357038.db2.gz DITOMAAJJVMMAA-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN Cc1cc([N+](=O)[O-])c(-n2cnc3c2CNCC3)nc1Cl ZINC001164313382 939452394 /nfs/dbraw/zinc/45/23/94/939452394.db2.gz HLWBTFWURVRVDW-UHFFFAOYSA-N 0 3 293.714 1.783 20 5 CDBDHN CN1CCC(Oc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001226755416 942064027 /nfs/dbraw/zinc/06/40/27/942064027.db2.gz MAADKKVCJUDERQ-UHFFFAOYSA-N 0 3 255.249 1.602 20 5 CDBDHN CC(C)CNC(=O)CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539677 947517863 /nfs/dbraw/zinc/51/78/63/947517863.db2.gz JDRYSGHYHGIBLQ-GFCCVEGCSA-N 0 3 293.367 1.888 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC[C@@H](O)C(F)(F)F)C2 ZINC001254579110 947538296 /nfs/dbraw/zinc/53/82/96/947538296.db2.gz PRYNXRFWKTUPJT-GXSJLCMTSA-N 0 3 290.241 1.575 20 5 CDBDHN CC(C)(O)[C@H](F)CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254589588 947543086 /nfs/dbraw/zinc/54/30/86/947543086.db2.gz PIGPVMLWNUJDQA-WCQYABFASA-N 0 3 282.315 1.761 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](n1cnc3c1CNCC3)C2 ZINC001254594976 947547452 /nfs/dbraw/zinc/54/74/52/947547452.db2.gz ULJHDXPZGYSRQY-CYBMUJFWSA-N 0 3 284.319 1.777 20 5 CDBDHN COC[C@H]1CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254611067 947556991 /nfs/dbraw/zinc/55/69/91/947556991.db2.gz UDVBXZQPIGTDEA-KGLIPLIRSA-N 0 3 262.309 1.783 20 5 CDBDHN CC1=NO[C@H](CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001335382709 954641427 /nfs/dbraw/zinc/64/14/27/954641427.db2.gz QLOPDCLMOLWWMN-STQMWFEESA-N 0 3 279.296 1.383 20 5 CDBDHN C[C@H]1[C@@H](O)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308065455 956465856 /nfs/dbraw/zinc/46/58/56/956465856.db2.gz ALFKLWKJXXPLHK-BPNCWPANSA-N 0 3 280.324 1.473 20 5 CDBDHN Cn1c(CCNCC[N+](=O)[O-])nc2ccc(F)cc21 ZINC001335954601 960120127 /nfs/dbraw/zinc/12/01/27/960120127.db2.gz POSAUZCFNIJMRQ-UHFFFAOYSA-N 0 3 266.276 1.121 20 5 CDBDHN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CN2CCC1CC2 ZINC001336175817 960235755 /nfs/dbraw/zinc/23/57/55/960235755.db2.gz SLEUQELDMSMSDZ-AWEZNQCLSA-N 0 3 289.335 1.348 20 5 CDBDHN CC(C)CC[C@@H](N)C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001575560693 1171203015 /nfs/dbraw/zinc/20/30/15/1171203015.db2.gz LEOYXHAFXNALHF-MRVPVSSYSA-N 0 3 269.305 1.030 20 5 CDBDHN O=C1NCCC[C@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000590971826 342612340 /nfs/dbraw/zinc/61/23/40/342612340.db2.gz OHASDIFWITWNAT-YIALFULDSA-N 0 3 289.335 1.724 20 5 CDBDHN CCN1C[C@H](CNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000593685683 342822347 /nfs/dbraw/zinc/82/23/47/342822347.db2.gz DUEQUODQJMKDLG-NSHDSACASA-N 0 3 277.324 1.553 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCC[C@@]2(O)CCCOC2)c(F)c1 ZINC000593687041 342822630 /nfs/dbraw/zinc/82/26/30/342822630.db2.gz BJYBMXUOXGNWAN-AWEZNQCLSA-N 0 3 298.314 1.755 20 5 CDBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1c[nH]nc1[N+](=O)[O-] ZINC000594419793 342903212 /nfs/dbraw/zinc/90/32/12/342903212.db2.gz RLQRULLASIAIHI-WDEREUQCSA-N 0 3 293.327 1.065 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@H](O)C2)cc1 ZINC000055897517 349702155 /nfs/dbraw/zinc/70/21/55/349702155.db2.gz IWATYIQITLFUIQ-ZDUSSCGKSA-N 0 3 280.324 1.820 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)CO ZINC000595010427 342990315 /nfs/dbraw/zinc/99/03/15/342990315.db2.gz CHFCCCHAFQFWHE-BDAKNGLRSA-N 0 3 254.286 1.635 20 5 CDBDHN Cc1noc(CN2CC[C@@H](N3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000595497476 343077766 /nfs/dbraw/zinc/07/77/66/343077766.db2.gz OITRUTALMNJLSK-VXGBXAGGSA-N 0 3 294.355 1.950 20 5 CDBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCN1C ZINC000596147430 343244066 /nfs/dbraw/zinc/24/40/66/343244066.db2.gz WYZWOTHNRQFWAQ-GXSJLCMTSA-N 0 3 292.339 1.588 20 5 CDBDHN CC(C)N1CCC(N(C)c2c([N+](=O)[O-])ncn2C)CC1 ZINC000024208478 342391922 /nfs/dbraw/zinc/39/19/22/342391922.db2.gz ZHUAIIXHSRNPEC-UHFFFAOYSA-N 0 3 281.360 1.637 20 5 CDBDHN CC(=O)N1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090413815 342395005 /nfs/dbraw/zinc/39/50/05/342395005.db2.gz GCGQFHYNJIGGRG-ZWNOBZJWSA-N 0 3 277.324 1.866 20 5 CDBDHN Cc1ccc(CNC2([C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000597234651 343489930 /nfs/dbraw/zinc/48/99/30/343489930.db2.gz MTNYDPJYGGIBDF-SNVBAGLBSA-N 0 3 250.298 1.906 20 5 CDBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000295005368 199296328 /nfs/dbraw/zinc/29/63/28/199296328.db2.gz RXKKYDWVBXJNTP-CYBMUJFWSA-N 0 3 279.340 1.854 20 5 CDBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000598261685 343743889 /nfs/dbraw/zinc/74/38/89/343743889.db2.gz SQIHMJXDWNZITK-SNVBAGLBSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000598645362 343855708 /nfs/dbraw/zinc/85/57/08/343855708.db2.gz HVSCVSQZSSQVSA-STQMWFEESA-N 0 3 294.351 1.924 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCOC[C@H]1O)CCC2 ZINC000599082162 343957232 /nfs/dbraw/zinc/95/72/32/343957232.db2.gz RRQOJOPCBJMNBS-RBSFLKMASA-N 0 3 292.335 1.712 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](O)C2)cc1 ZINC000264958859 344316921 /nfs/dbraw/zinc/31/69/21/344316921.db2.gz FKYRLUVGUBOJGR-LBPRGKRZSA-N 0 3 266.297 1.430 20 5 CDBDHN CC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC ZINC000602684964 344530585 /nfs/dbraw/zinc/53/05/85/344530585.db2.gz CEALNUMJZAMXOQ-GFCCVEGCSA-N 0 3 265.313 1.252 20 5 CDBDHN Nc1c(C(=O)NCCN2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000194509304 362408938 /nfs/dbraw/zinc/40/89/38/362408938.db2.gz IRRHCFSGVZATJX-UHFFFAOYSA-N 0 3 296.302 1.142 20 5 CDBDHN CCn1cc([C@H](C)NCCn2c(C)ncc2[N+](=O)[O-])cn1 ZINC000602840302 344621235 /nfs/dbraw/zinc/62/12/35/344621235.db2.gz NBWOTTLGTRCFKX-JTQLQIEISA-N 0 3 292.343 1.667 20 5 CDBDHN COCCN(C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344209468 362555841 /nfs/dbraw/zinc/55/58/41/362555841.db2.gz JRWGHHVDJPTNDX-UHFFFAOYSA-N 0 3 299.302 1.042 20 5 CDBDHN CCOc1ccc(C(=O)NC[C@H](C)N(C)C)cc1[N+](=O)[O-] ZINC000033093457 345441570 /nfs/dbraw/zinc/44/15/70/345441570.db2.gz MELAGKXHIPDCMJ-JTQLQIEISA-N 0 3 295.339 1.673 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2ccc(F)cc2)c1 ZINC000037880033 346369694 /nfs/dbraw/zinc/36/96/94/346369694.db2.gz TXKYTIJVZAKMAH-ZDUSSCGKSA-N 0 3 294.286 1.081 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCc2cccs2)c1 ZINC000037886185 346369583 /nfs/dbraw/zinc/36/95/83/346369583.db2.gz DKBDEMGRWBXJKO-JTQLQIEISA-N 0 3 282.325 1.004 20 5 CDBDHN O=C(CNC1CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676275 346492090 /nfs/dbraw/zinc/49/20/90/346492090.db2.gz OGRKWTCLPPGPTF-UHFFFAOYSA-N 0 3 263.297 1.006 20 5 CDBDHN O=C(CCCNCc1ccccc1[N+](=O)[O-])NC1CC1 ZINC000112017158 365853000 /nfs/dbraw/zinc/85/30/00/365853000.db2.gz WWQOMWQPCVPHAJ-UHFFFAOYSA-N 0 3 277.324 1.743 20 5 CDBDHN C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086467311 179297251 /nfs/dbraw/zinc/29/72/51/179297251.db2.gz BJDSNBBMQMHUGV-LASXONHFSA-N 0 3 289.335 1.817 20 5 CDBDHN Cc1cc(C(=O)N2C[C@H](C)NC[C@H]2C)ccc1[N+](=O)[O-] ZINC000086467872 179299167 /nfs/dbraw/zinc/29/91/67/179299167.db2.gz FBMLEBGFEFJLRR-WDEREUQCSA-N 0 3 277.324 1.726 20 5 CDBDHN CN(C)[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000057838606 348847845 /nfs/dbraw/zinc/84/78/45/348847845.db2.gz LHRKOJXJFPXEST-SECBINFHSA-N 0 3 295.368 1.834 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)C)c1 ZINC000067547509 349028504 /nfs/dbraw/zinc/02/85/04/349028504.db2.gz JUFCROTWKCTPQF-SECBINFHSA-N 0 3 281.312 1.283 20 5 CDBDHN COC[C@H](O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090950124 180072003 /nfs/dbraw/zinc/07/20/03/180072003.db2.gz IJPVSBLEQBAVIZ-VXGBXAGGSA-N 0 3 282.340 1.951 20 5 CDBDHN CCN(C)C[C@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000312406641 350768215 /nfs/dbraw/zinc/76/82/15/350768215.db2.gz MFZLYPNLPSHKGK-LBPRGKRZSA-N 0 3 282.340 1.903 20 5 CDBDHN CNC(=O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000111268294 186383936 /nfs/dbraw/zinc/38/39/36/186383936.db2.gz QDKXCFXTZYEZJP-GFCCVEGCSA-N 0 3 277.324 1.553 20 5 CDBDHN CSC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000292288118 198231768 /nfs/dbraw/zinc/23/17/68/198231768.db2.gz CEUGIFMTPSLTLW-NSHDSACASA-N 0 3 284.385 1.866 20 5 CDBDHN CN(CCc1ccccn1)CCn1cc([N+](=O)[O-])cn1 ZINC000152918458 188052670 /nfs/dbraw/zinc/05/26/70/188052670.db2.gz ZPBXLXKIADTLJO-UHFFFAOYSA-N 0 3 275.312 1.361 20 5 CDBDHN CCOC[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154400161 188139673 /nfs/dbraw/zinc/13/96/73/188139673.db2.gz OBRFSOIJBRRBNZ-WFASDCNBSA-N 0 3 294.351 1.987 20 5 CDBDHN CN(CCNC(=O)c1cccc([N+](=O)[O-])c1N)C1CC1 ZINC000157321245 188309425 /nfs/dbraw/zinc/30/94/25/188309425.db2.gz IVOKQHRGKFNNPT-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN C[C@@H](CNC(=O)NCCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000454711733 252363898 /nfs/dbraw/zinc/36/38/98/252363898.db2.gz ACWJYUMJHRQKKE-NSHDSACASA-N 0 3 294.355 1.387 20 5 CDBDHN Cc1cc(OC[C@H](O)CN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000290529953 357210273 /nfs/dbraw/zinc/21/02/73/357210273.db2.gz DEFBZWVGSYSJKI-GFCCVEGCSA-N 0 3 280.324 1.737 20 5 CDBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000048335818 357177945 /nfs/dbraw/zinc/17/79/45/357177945.db2.gz YWFKRWYKWFEZKW-JTQLQIEISA-N 0 3 266.297 1.836 20 5 CDBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264605988 357441138 /nfs/dbraw/zinc/44/11/38/357441138.db2.gz GFPHMUFEQGOEDB-UHFFFAOYSA-N 0 3 277.324 1.763 20 5 CDBDHN C[C@H](NC[C@H](CO)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000360882351 357730630 /nfs/dbraw/zinc/73/06/30/357730630.db2.gz DMDVMOUPLZQVPV-FPMFFAJLSA-N 0 3 294.351 1.890 20 5 CDBDHN C[C@H](NC(=O)[C@H]1C[C@H](F)CN1)c1cccc([N+](=O)[O-])c1 ZINC000188359355 357884574 /nfs/dbraw/zinc/88/45/74/357884574.db2.gz CDQBCPCZRSOHII-PTOFAABTSA-N 0 3 281.287 1.472 20 5 CDBDHN C[C@@H](CNc1ncc([N+](=O)[O-])cn1)N(C)C1CC1 ZINC000230873364 358796839 /nfs/dbraw/zinc/79/68/39/358796839.db2.gz VXPJAVPROMHVIK-QMMMGPOBSA-N 0 3 251.290 1.279 20 5 CDBDHN CN(C)CCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000104189887 358950066 /nfs/dbraw/zinc/95/00/66/358950066.db2.gz MAQFHQMQXPJBSU-UHFFFAOYSA-N 0 3 269.276 1.368 20 5 CDBDHN CC1(C)C[C@H](O)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451802449 359082241 /nfs/dbraw/zinc/08/22/41/359082241.db2.gz NVIZXFAYCSIDBD-GFCCVEGCSA-N 0 3 282.344 1.274 20 5 CDBDHN CO[C@H]1C[C@H](N(C)CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000451847992 359086569 /nfs/dbraw/zinc/08/65/69/359086569.db2.gz JJAMOIOZLIEJPY-STQMWFEESA-N 0 3 294.355 1.681 20 5 CDBDHN Cc1nc(NC[C@@]2(N(C)C)CCSC2)ncc1[N+](=O)[O-] ZINC000297386492 200172103 /nfs/dbraw/zinc/17/21/03/200172103.db2.gz DUJFTZQLVHGSKE-LBPRGKRZSA-N 0 3 297.384 1.542 20 5 CDBDHN C[C@H]1C[C@H](O)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000340911485 363679456 /nfs/dbraw/zinc/67/94/56/363679456.db2.gz FLPSPZJWNRCQNO-QWRGUYRKSA-N 0 3 266.297 1.429 20 5 CDBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N(C)C1CC1 ZINC000176437288 360300148 /nfs/dbraw/zinc/30/01/48/360300148.db2.gz FYVYLYIKULFFKU-VIFPVBQESA-N 0 3 292.339 1.390 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H](CCO)C(C)(C)C ZINC000355012534 360444787 /nfs/dbraw/zinc/44/47/87/360444787.db2.gz MTCBXBYMIVRYAC-SNVBAGLBSA-N 0 3 270.333 1.215 20 5 CDBDHN CS[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000270375182 360458592 /nfs/dbraw/zinc/45/85/92/360458592.db2.gz NVVQYJXICAPWPL-NEPJUHHUSA-N 0 3 296.396 1.780 20 5 CDBDHN CCN1CCC(N(C)c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302145600 201365428 /nfs/dbraw/zinc/36/54/28/201365428.db2.gz HPLLQGNWBFCYRH-UHFFFAOYSA-N 0 3 265.317 1.305 20 5 CDBDHN Cc1ccc(CN[C@H](C)C[S@@](C)=O)cc1[N+](=O)[O-] ZINC000168212691 364118514 /nfs/dbraw/zinc/11/85/14/364118514.db2.gz LJKLIDKQMPGHNV-MGNBDDOMSA-N 0 3 270.354 1.760 20 5 CDBDHN CC[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174819641 364574271 /nfs/dbraw/zinc/57/42/71/364574271.db2.gz SMCYMMUDKRJHRM-NSHDSACASA-N 0 3 252.318 1.913 20 5 CDBDHN CCN(CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349335 364777551 /nfs/dbraw/zinc/77/75/51/364777551.db2.gz OZDKRVWTEGYWTI-UHFFFAOYSA-N 0 3 291.351 1.821 20 5 CDBDHN CCN1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000412852316 240397839 /nfs/dbraw/zinc/39/78/39/240397839.db2.gz WYUYKQXZKIBCED-LLVKDONJSA-N 0 3 295.314 1.487 20 5 CDBDHN CC(C)(CNCc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000020120738 367024376 /nfs/dbraw/zinc/02/43/76/367024376.db2.gz RNAOYHWIDJFVNS-UHFFFAOYSA-N 0 3 293.367 1.795 20 5 CDBDHN C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1 ZINC000272591213 367779690 /nfs/dbraw/zinc/77/96/90/367779690.db2.gz PMHKAIXIHLMNNX-NEPJUHHUSA-N 0 3 291.351 1.736 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000226518875 368234272 /nfs/dbraw/zinc/23/42/72/368234272.db2.gz LWIUMPUCXPGYKS-SNVBAGLBSA-N 0 3 281.287 1.558 20 5 CDBDHN CS(=O)(=O)CCCNCc1ccc([N+](=O)[O-])cc1 ZINC000038047403 370061240 /nfs/dbraw/zinc/06/12/40/370061240.db2.gz JSTYQJQPIUSVSW-UHFFFAOYSA-N 0 3 272.326 1.119 20 5 CDBDHN C[C@H](NC(=O)[C@H]1CCCCN1)c1cccc([N+](=O)[O-])c1 ZINC000037766491 370079465 /nfs/dbraw/zinc/07/94/65/370079465.db2.gz GUNQPFXWLKZFFD-GXFFZTMASA-N 0 3 277.324 1.914 20 5 CDBDHN CC[C@H](NC(=O)[C@H](C)N)c1cccc([N+](=O)[O-])c1 ZINC000120793531 372798889 /nfs/dbraw/zinc/79/88/89/372798889.db2.gz YOIPJLDTHUJIGV-KWQFWETISA-N 0 3 251.286 1.509 20 5 CDBDHN C[C@@H](NC[C@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527563 374388721 /nfs/dbraw/zinc/38/87/21/374388721.db2.gz RWXCVSLYULSYSW-ZWNOBZJWSA-N 0 3 265.313 1.234 20 5 CDBDHN Cc1ccc(CNCCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000069786639 374615320 /nfs/dbraw/zinc/61/53/20/374615320.db2.gz CJUNGRDTLBAQOY-UHFFFAOYSA-N 0 3 274.324 1.969 20 5 CDBDHN CCOCCN(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000093311917 374742073 /nfs/dbraw/zinc/74/20/73/374742073.db2.gz OOTDWUWJOVXZDQ-ZDUSSCGKSA-N 0 3 298.339 1.303 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(C)CC1 ZINC000277662632 374799557 /nfs/dbraw/zinc/79/95/57/374799557.db2.gz WMEJOHYYZVLQAA-UHFFFAOYSA-N 0 3 293.323 1.427 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)NCCF ZINC000449305452 374799612 /nfs/dbraw/zinc/79/96/12/374799612.db2.gz GNBKEWZDFLITAO-MNOVXSKESA-N 0 3 297.330 1.590 20 5 CDBDHN C[C@@H]1CCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000331063516 374883622 /nfs/dbraw/zinc/88/36/22/374883622.db2.gz PHAXOYUKIURQOV-ZJUUUORDSA-N 0 3 252.318 1.997 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)CCn1cncn1 ZINC000282474260 375088680 /nfs/dbraw/zinc/08/86/80/375088680.db2.gz OBJMFQXYEUXOQH-UHFFFAOYSA-N 0 3 275.312 1.361 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131759780 375339470 /nfs/dbraw/zinc/33/94/70/375339470.db2.gz OKQRMTDTLXRZLP-LLVKDONJSA-N 0 3 295.314 1.948 20 5 CDBDHN CCN1CC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000493587157 375466968 /nfs/dbraw/zinc/46/69/68/375466968.db2.gz QHVDLGCMQHGYQN-WSROAFLRSA-N 0 3 289.335 1.818 20 5 CDBDHN CCC[C@](C)(N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353252996 375590816 /nfs/dbraw/zinc/59/08/16/375590816.db2.gz OZKOUJJZNDDBGS-HNNXBMFYSA-N 0 3 291.351 1.997 20 5 CDBDHN CN(C)CCOC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000352941302 375555682 /nfs/dbraw/zinc/55/56/82/375555682.db2.gz OXEUUSYHPCFXFF-UHFFFAOYSA-N 0 3 294.355 1.537 20 5 CDBDHN CCC[C@](C)(N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353084640 375574689 /nfs/dbraw/zinc/57/46/89/375574689.db2.gz GFRBVPWHYFLFDM-AWEZNQCLSA-N 0 3 294.355 1.640 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000344868057 375625547 /nfs/dbraw/zinc/62/55/47/375625547.db2.gz UISBNXGJIIFPTB-UHFFFAOYSA-N 0 3 282.344 1.347 20 5 CDBDHN Cc1ccc(CNC[C@@]2(O)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000227975848 375659367 /nfs/dbraw/zinc/65/93/67/375659367.db2.gz FJHPAOHWAWTMFN-RISCZKNCSA-N 0 3 280.324 1.533 20 5 CDBDHN Cc1ccc(CNC[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000267060545 376629826 /nfs/dbraw/zinc/62/98/26/376629826.db2.gz PFCFGXUEOYMISJ-ZDUSSCGKSA-N 0 3 282.365 1.861 20 5 CDBDHN COc1ccc(CNC[C@@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000188857789 377097555 /nfs/dbraw/zinc/09/75/55/377097555.db2.gz MGYJPAHNCZBRGA-ZYHUDNBSSA-N 0 3 280.324 1.854 20 5 CDBDHN CC[C@@H](C)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000075633419 377852471 /nfs/dbraw/zinc/85/24/71/377852471.db2.gz HZDVEDPKMIFOBB-SECBINFHSA-N 0 3 265.313 1.924 20 5 CDBDHN C[C@@H](NCCn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000266863362 378083604 /nfs/dbraw/zinc/08/36/04/378083604.db2.gz LSLQXJMSBDWKDO-SNVBAGLBSA-N 0 3 261.285 1.537 20 5 CDBDHN Cc1nc(N(C)C[C@@H]2CCN(C)C2)ncc1[N+](=O)[O-] ZINC000450313209 251218249 /nfs/dbraw/zinc/21/82/49/251218249.db2.gz KMICEUIGYRMERQ-SNVBAGLBSA-N 0 3 265.317 1.081 20 5 CDBDHN CC(C)N1CC[C@@H](N(C)c2ncccc2[N+](=O)[O-])C1 ZINC000450953093 390581341 /nfs/dbraw/zinc/58/13/41/390581341.db2.gz WYWQNIHRGUGUTB-LLVKDONJSA-N 0 3 264.329 1.909 20 5 CDBDHN COCCN(C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000061376248 390883912 /nfs/dbraw/zinc/88/39/12/390883912.db2.gz QWLOFPQPBSQCLX-GFCCVEGCSA-N 0 3 281.356 1.824 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000408086840 391296811 /nfs/dbraw/zinc/29/68/11/391296811.db2.gz LXOYDKZRAKSUMI-SNVBAGLBSA-N 0 3 280.328 1.100 20 5 CDBDHN Cc1cc(N2CC[C@@H](N3CC=CC3)C2)ncc1[N+](=O)[O-] ZINC000266859973 391625963 /nfs/dbraw/zinc/62/59/63/391625963.db2.gz WDLBQSOLZNUHES-GFCCVEGCSA-N 0 3 274.324 1.749 20 5 CDBDHN Cc1cc(N2CC[C@]3(CCN(C)C3)C2)ncc1[N+](=O)[O-] ZINC000292396846 391630554 /nfs/dbraw/zinc/63/05/54/391630554.db2.gz UPGRYJDRXAFVHU-AWEZNQCLSA-N 0 3 276.340 1.830 20 5 CDBDHN Cc1c(CN(C[C@@H](C)O)[C@@H](C)CO)cccc1[N+](=O)[O-] ZINC000190905003 130160560 /nfs/dbraw/zinc/16/05/60/130160560.db2.gz QKVWHAPTJBNZSI-WDEREUQCSA-N 0 3 282.340 1.467 20 5 CDBDHN CC[C@@]1(CO)CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000189662459 391783561 /nfs/dbraw/zinc/78/35/61/391783561.db2.gz WERJJTJXAQOFBQ-GJZGRUSLSA-N 0 3 294.351 1.865 20 5 CDBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000153267451 391933450 /nfs/dbraw/zinc/93/34/50/391933450.db2.gz FWLLLIHMPYMIAH-SECBINFHSA-N 0 3 293.327 1.065 20 5 CDBDHN CNC(=O)C[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000298560215 392721836 /nfs/dbraw/zinc/72/18/36/392721836.db2.gz IOAYJZYAWUSSHT-VIFPVBQESA-N 0 3 251.286 1.209 20 5 CDBDHN CCC[C@H](O)[C@@H](CO)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000419812897 392897711 /nfs/dbraw/zinc/89/77/11/392897711.db2.gz IJMQNAFAESFMSV-YPMHNXCESA-N 0 3 298.339 1.215 20 5 CDBDHN Cc1c(CC(=O)N2CCN[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000423622904 392966195 /nfs/dbraw/zinc/96/61/95/392966195.db2.gz ZQHIYMANGSLCDJ-RYUDHWBXSA-N 0 3 291.351 1.655 20 5 CDBDHN CN1C[C@@H]2CCCN(C(=O)c3csc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425059731 392985237 /nfs/dbraw/zinc/98/52/37/392985237.db2.gz SMOYUQXPNFCREJ-GXSJLCMTSA-N 0 3 295.364 1.823 20 5 CDBDHN CNC(=O)[C@]1(C)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000430255444 393094807 /nfs/dbraw/zinc/09/48/07/393094807.db2.gz FGOWKRUXIUEWCM-OAHLLOKOSA-N 0 3 291.351 1.861 20 5 CDBDHN Cc1cc(N2CCN(C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000275431945 135106963 /nfs/dbraw/zinc/10/69/63/135106963.db2.gz VLHNSDWKNXXYJO-QWHCGFSZSA-N 0 3 293.367 1.795 20 5 CDBDHN O=[N+]([O-])c1cccnc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252667533 140321342 /nfs/dbraw/zinc/32/13/42/140321342.db2.gz LBJPOVMQVYBFOY-QWRGUYRKSA-N 0 3 278.312 1.265 20 5 CDBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000361067512 397910423 /nfs/dbraw/zinc/91/04/23/397910423.db2.gz NSZXJZPRYKVGLL-ZYHUDNBSSA-N 0 3 262.313 1.520 20 5 CDBDHN COc1cc(CN2CC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000488744939 398133434 /nfs/dbraw/zinc/13/34/34/398133434.db2.gz AJKAOAVQKFDZSW-ZYHUDNBSSA-N 0 3 280.324 1.806 20 5 CDBDHN Cc1ccc(NC(=O)C[C@H]2CSCCN2)cc1[N+](=O)[O-] ZINC000091134178 146971276 /nfs/dbraw/zinc/97/12/76/146971276.db2.gz JXJCYKQBODVAGX-NSHDSACASA-N 0 3 295.364 1.937 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000375356531 160372385 /nfs/dbraw/zinc/37/23/85/160372385.db2.gz RCHXHVCVZQMCKV-OLZOCXBDSA-N 0 3 280.328 1.435 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)C(C)C ZINC000359842256 158396161 /nfs/dbraw/zinc/39/61/61/158396161.db2.gz POSYZVYVXWKSOW-ZDUSSCGKSA-N 0 3 295.339 1.448 20 5 CDBDHN C[C@H](CC[S@](C)=O)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285356300 196259619 /nfs/dbraw/zinc/25/96/19/196259619.db2.gz VKXJPHORTFYTDO-ZLMDCXFVSA-N 0 3 299.396 1.985 20 5 CDBDHN CN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000044563118 175206320 /nfs/dbraw/zinc/20/63/20/175206320.db2.gz DBYLDBUOXWTCBK-JTQLQIEISA-N 0 3 250.302 1.886 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(N2CC(N(C)C)C2)c1 ZINC000273353970 274117923 /nfs/dbraw/zinc/11/79/23/274117923.db2.gz VQMFBLSHVCOBJR-UHFFFAOYSA-N 0 3 251.286 1.354 20 5 CDBDHN C[C@@H]1CNCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000262052289 274376404 /nfs/dbraw/zinc/37/64/04/274376404.db2.gz VCKYJYFPTAQPRV-SSDOTTSWSA-N 0 3 279.325 1.398 20 5 CDBDHN COC[C@](C)(O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000553473508 290120956 /nfs/dbraw/zinc/12/09/56/290120956.db2.gz GBQNDGRIIXBTTQ-BRLPQQTGSA-N 0 3 280.324 1.595 20 5 CDBDHN CC/C=C\CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000563529888 316325309 /nfs/dbraw/zinc/32/53/09/316325309.db2.gz KCSSHNPSZLCBJK-DHCBQETCSA-N 0 3 280.324 1.890 20 5 CDBDHN CC(C)Oc1nc(N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC000578143650 317480741 /nfs/dbraw/zinc/48/07/41/317480741.db2.gz XIDITTFHVARCGU-UHFFFAOYSA-N 0 3 280.328 1.527 20 5 CDBDHN CCOC(=O)C[C@@H](C)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000182658011 323292212 /nfs/dbraw/zinc/29/22/12/323292212.db2.gz SVBPIRLAAPKRHC-SNVBAGLBSA-N 0 3 284.316 1.065 20 5 CDBDHN [NH3+]C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000382454722 323641600 /nfs/dbraw/zinc/64/16/00/323641600.db2.gz PMUHXWGGLOMVJL-ZJUUUORDSA-N 0 3 299.352 1.001 20 5 CDBDHN COCCNCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000234668904 523939372 /nfs/dbraw/zinc/93/93/72/523939372.db2.gz ISXPTPBMNBYMOK-UHFFFAOYSA-N 0 3 273.720 1.896 20 5 CDBDHN CN(C)CCN(C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183556405 524060432 /nfs/dbraw/zinc/06/04/32/524060432.db2.gz REBSBJUVDLZJBN-UHFFFAOYSA-N 0 3 267.289 1.015 20 5 CDBDHN C[C@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000049502022 524334898 /nfs/dbraw/zinc/33/48/98/524334898.db2.gz IHBPFNDAMNBUDC-SNVBAGLBSA-N 0 3 265.317 1.671 20 5 CDBDHN COc1ccc(OCCN2C[C@@H](O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000340934663 524957963 /nfs/dbraw/zinc/95/79/63/524957963.db2.gz WPRPKBAFPXTJNQ-MNOVXSKESA-N 0 3 296.323 1.437 20 5 CDBDHN CCc1nn(C)c(N[C@@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000226881185 536182486 /nfs/dbraw/zinc/18/24/86/536182486.db2.gz IKZDDDVTHUIHPB-VHSXEESVSA-N 0 3 281.360 1.785 20 5 CDBDHN CCc1nn(C)c(N[C@H]2CCN(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000226881191 536182605 /nfs/dbraw/zinc/18/26/05/536182605.db2.gz IKZDDDVTHUIHPB-UWVGGRQHSA-N 0 3 281.360 1.785 20 5 CDBDHN C[C@@H](N[C@@H](CO)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000763071531 576708853 /nfs/dbraw/zinc/70/88/53/576708853.db2.gz SAXRRBDOOKURJV-RNCFNFMXSA-N 0 3 293.323 1.282 20 5 CDBDHN CCn1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C1CC1 ZINC000893046467 618091224 /nfs/dbraw/zinc/09/12/24/618091224.db2.gz CHSFGDCERMRJEM-MRVPVSSYSA-N 0 3 267.285 1.602 20 5 CDBDHN CCOC(=O)N(C)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000893047490 618098663 /nfs/dbraw/zinc/09/86/63/618098663.db2.gz LXNAKCPDNOUJAX-VIFPVBQESA-N 0 3 276.289 1.063 20 5 CDBDHN CC(COC(=O)c1c2c(nn1C)CCSC2)[N+](=O)[O-] ZINC000893048192 618100798 /nfs/dbraw/zinc/10/07/98/618100798.db2.gz RUDNFJLZXDDZHI-SSDOTTSWSA-N 0 3 285.325 1.031 20 5 CDBDHN CCC1([N-]c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])C[NH2+]C1 ZINC001157785195 1162420354 /nfs/dbraw/zinc/42/03/54/1162420354.db2.gz UUJLFAMJMWHFAI-UHFFFAOYSA-N 0 3 272.692 1.046 20 5 CDBDHN O=C(N[C@H]1CCNC[C@H]1F)c1cc([N+](=O)[O-])ccc1F ZINC001580616874 1172486011 /nfs/dbraw/zinc/48/60/11/1172486011.db2.gz NISDFBLHEYJMIM-MNOVXSKESA-N 0 3 285.250 1.164 20 5 CDBDHN CC(COC(=O)[C@H](C)n1ccc(C(F)(F)F)n1)[N+](=O)[O-] ZINC000870378808 697671832 /nfs/dbraw/zinc/67/18/32/697671832.db2.gz XSLDYJOFRUJAJP-BQBZGAKWSA-N 0 3 295.217 1.671 20 5 CDBDHN CC1(C)CNC(=O)[C@@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000931663288 697754358 /nfs/dbraw/zinc/75/43/58/697754358.db2.gz JOUKEHQQWWAHJN-LBPRGKRZSA-N 0 3 293.323 1.088 20 5 CDBDHN CC(COC(=O)c1c[nH]nc1-c1ccccn1)[N+](=O)[O-] ZINC000813114761 697836402 /nfs/dbraw/zinc/83/64/02/697836402.db2.gz WJJDNXBBKJJKJM-MRVPVSSYSA-N 0 3 276.252 1.294 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1-c1ccccc1)[N+](=O)[O-] ZINC000813104245 697842824 /nfs/dbraw/zinc/84/28/24/697842824.db2.gz KSXWLEMAWVTRKT-SNVBAGLBSA-N 0 3 289.291 1.909 20 5 CDBDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000128571812 697930768 /nfs/dbraw/zinc/93/07/68/697930768.db2.gz CVKNLZGNRGIONQ-NWDGAFQWSA-N 0 3 268.288 1.983 20 5 CDBDHN C[C@@H]1CSC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886202760 698309320 /nfs/dbraw/zinc/30/93/20/698309320.db2.gz DOYJVOUKCZAKRJ-SCZZXKLOSA-N 0 3 253.327 1.831 20 5 CDBDHN COC(=O)[C@@H](C)CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579240 698394067 /nfs/dbraw/zinc/39/40/67/698394067.db2.gz KGBNIQBQIZFRTI-GWCFXTLKSA-N 0 3 296.323 1.369 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1COC[C@H]1C ZINC000932495337 698613201 /nfs/dbraw/zinc/61/32/01/698613201.db2.gz ZYSDBMISLURYAS-ZWNOBZJWSA-N 0 3 293.323 1.466 20 5 CDBDHN C[C@@H](N)c1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000881227459 698985849 /nfs/dbraw/zinc/98/58/49/698985849.db2.gz WZWOHVHIQWOTQS-SSDOTTSWSA-N 0 3 281.703 1.908 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](CO)C2)cc1 ZINC000776272273 698998477 /nfs/dbraw/zinc/99/84/77/698998477.db2.gz SJMHCOUJQDWWAP-RISCZKNCSA-N 0 3 280.324 1.333 20 5 CDBDHN COc1cc(NCCN(C)CCO)c([N+](=O)[O-])cc1C ZINC000884825112 705091635 /nfs/dbraw/zinc/09/16/35/705091635.db2.gz FQEHBXTUWUJDLT-UHFFFAOYSA-N 0 3 283.328 1.248 20 5 CDBDHN CC(C)CN1CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001164652407 719330508 /nfs/dbraw/zinc/33/05/08/719330508.db2.gz LOWHDICOZFWELR-UHFFFAOYSA-N 0 3 264.329 1.768 20 5 CDBDHN CC(COC(=O)Cc1ccc2c(c1)CCCO2)[N+](=O)[O-] ZINC000842802198 848311912 /nfs/dbraw/zinc/31/19/12/848311912.db2.gz SRKNVGDJJBJUDN-JTQLQIEISA-N 0 3 279.292 1.763 20 5 CDBDHN CSCC(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000934674014 848547785 /nfs/dbraw/zinc/54/77/85/848547785.db2.gz YLIFMEXHAPWOTM-UHFFFAOYSA-N 0 3 297.380 1.925 20 5 CDBDHN CO[C@H]1C[C@H](NCc2cccnc2[N+](=O)[O-])C1(C)C ZINC000886229993 848942851 /nfs/dbraw/zinc/94/28/51/848942851.db2.gz ZAVDMRHAEAVLCA-QWRGUYRKSA-N 0 3 265.313 1.893 20 5 CDBDHN CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000776597414 849571624 /nfs/dbraw/zinc/57/16/24/849571624.db2.gz LFYKCLCWSOSTQL-AWEZNQCLSA-N 0 3 293.367 1.654 20 5 CDBDHN CCn1c(=O)[nH]c2ccc(C(=O)OCC(C)[N+](=O)[O-])cc21 ZINC000847713844 849637489 /nfs/dbraw/zinc/63/74/89/849637489.db2.gz DDNNVNWEIBECSM-MRVPVSSYSA-N 0 3 293.279 1.584 20 5 CDBDHN CC(COC(=O)c1ccccc1-n1cccn1)[N+](=O)[O-] ZINC000813102834 849943046 /nfs/dbraw/zinc/94/30/46/849943046.db2.gz JVVPSNSKQJIGSS-SNVBAGLBSA-N 0 3 275.264 1.694 20 5 CDBDHN O=[N+]([O-])c1ccc([C@H](O)CN(CCO)C2CC2)cc1 ZINC000776578181 850170276 /nfs/dbraw/zinc/17/02/76/850170276.db2.gz CGHOGFPEIASQTJ-CYBMUJFWSA-N 0 3 266.297 1.085 20 5 CDBDHN CC(COC(=O)c1cn(Cc2ccccc2)nn1)[N+](=O)[O-] ZINC000813108574 850338152 /nfs/dbraw/zinc/33/81/52/850338152.db2.gz HVBDSYNIWMJARW-SNVBAGLBSA-N 0 3 290.279 1.148 20 5 CDBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nn1C(C)C ZINC000835453629 850423039 /nfs/dbraw/zinc/42/30/39/850423039.db2.gz FBWOKKATUSBZSB-SECBINFHSA-N 0 3 255.274 1.594 20 5 CDBDHN CC(=O)Nc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1C ZINC000813112210 850438498 /nfs/dbraw/zinc/43/84/98/850438498.db2.gz NUUHXVSJRPWSCT-SECBINFHSA-N 0 3 280.280 1.775 20 5 CDBDHN CN(C)C1CN(c2ccc3c(cccc3[N+](=O)[O-])n2)C1 ZINC001163933974 924406087 /nfs/dbraw/zinc/40/60/87/924406087.db2.gz UUFPYEGQZHKFEV-UHFFFAOYSA-N 0 3 272.308 1.893 20 5 CDBDHN Cc1cc(Cl)nc(-n2nccc2CN)c1[N+](=O)[O-] ZINC001155125576 926571135 /nfs/dbraw/zinc/57/11/35/926571135.db2.gz SEUITCZWPLEVHZ-UHFFFAOYSA-N 0 3 267.676 1.596 20 5 CDBDHN NCc1ccc(N[C@H]2CC[C@H](C[N+](=O)[O-])C2)cn1 ZINC001168990503 927629524 /nfs/dbraw/zinc/62/95/24/927629524.db2.gz ZTIHRDLNFHJJEA-UWVGGRQHSA-N 0 3 250.302 1.398 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCc3ncsc3C2)C1 ZINC001169033304 927640248 /nfs/dbraw/zinc/64/02/48/927640248.db2.gz BSXMGTCTBLXWOB-NXEZZACHSA-N 0 3 267.354 1.947 20 5 CDBDHN COc1cnc(-n2ccc([C@@H](C)N)n2)cc1[N+](=O)[O-] ZINC001169228851 927830620 /nfs/dbraw/zinc/83/06/20/927830620.db2.gz DAQACPMYDPGXLN-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN NCc1nn(-c2ncc([N+](=O)[O-])cc2N)c2ccccc12 ZINC001156860367 938426759 /nfs/dbraw/zinc/42/67/59/938426759.db2.gz GSRVCTCWUXQPMX-UHFFFAOYSA-N 0 3 284.279 1.370 20 5 CDBDHN Cc1cnc(N2C[C@H]3CCCN(C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001157260250 938470407 /nfs/dbraw/zinc/47/04/07/938470407.db2.gz IQCPCKYANYOSFI-DGCLKSJQSA-N 0 3 276.340 1.829 20 5 CDBDHN O=[N+]([O-])c1cc(N2CCN3CC[C@H]3C2)nc2[nH]ccc21 ZINC001158431637 938624428 /nfs/dbraw/zinc/62/44/28/938624428.db2.gz FJMUZRWTAARINY-VIFPVBQESA-N 0 3 273.296 1.365 20 5 CDBDHN Cc1c(C)c([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CNCCO1 ZINC001159498448 938734653 /nfs/dbraw/zinc/73/46/53/938734653.db2.gz LULVCUJUIMPXBJ-CMPLNLGQSA-N 0 3 280.328 1.395 20 5 CDBDHN NCc1ccc(Nc2cc(N)c([N+](=O)[O-])cn2)cn1 ZINC001160402581 938784640 /nfs/dbraw/zinc/78/46/40/938784640.db2.gz VZKBLUVQHRRGDN-UHFFFAOYSA-N 0 3 260.257 1.169 20 5 CDBDHN C[C@@]1(O)COCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254592073 947543897 /nfs/dbraw/zinc/54/38/97/947543897.db2.gz AERVCTRNOBYLDK-GJZGRUSLSA-N 0 3 292.335 1.145 20 5 CDBDHN Cc1cnc(N2C[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000590719157 342585896 /nfs/dbraw/zinc/58/58/96/342585896.db2.gz ZATNTRUDNAZWPH-PWSUYJOCSA-N 0 3 262.313 1.439 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CCOC3)CC2)cn1 ZINC000047702612 342107274 /nfs/dbraw/zinc/10/72/74/342107274.db2.gz IYXQGFKHHGGLHV-GFCCVEGCSA-N 0 3 292.339 1.148 20 5 CDBDHN Nc1ccc(N2CCN(CC3CC3)CC2)nc1[N+](=O)[O-] ZINC000312933367 342149771 /nfs/dbraw/zinc/14/97/71/342149771.db2.gz FHPPFLPAWNPIDM-UHFFFAOYSA-N 0 3 277.328 1.104 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1 ZINC000592241756 342680774 /nfs/dbraw/zinc/68/07/74/342680774.db2.gz HAPWLNCYRIPEPR-CYBMUJFWSA-N 0 3 295.314 1.804 20 5 CDBDHN CCCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592830993 342741281 /nfs/dbraw/zinc/74/12/81/342741281.db2.gz KBNHQCZNOXPWAO-JTQLQIEISA-N 0 3 295.343 1.183 20 5 CDBDHN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCN(C)C1 ZINC000592830993 342741282 /nfs/dbraw/zinc/74/12/82/342741282.db2.gz KBNHQCZNOXPWAO-JTQLQIEISA-N 0 3 295.343 1.183 20 5 CDBDHN CC(C)O[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593055309 342759939 /nfs/dbraw/zinc/75/99/39/342759939.db2.gz JQEFTMRGORRQBK-CYBMUJFWSA-N 0 3 282.344 1.681 20 5 CDBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000588775422 342221460 /nfs/dbraw/zinc/22/14/60/342221460.db2.gz DYPOPSSUHOQTGV-ONGXEEELSA-N 0 3 293.327 1.017 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCC1(CO)COC1 ZINC000594501170 342914531 /nfs/dbraw/zinc/91/45/31/342914531.db2.gz IWZXJZVBPISEIP-GFCCVEGCSA-N 0 3 278.308 1.181 20 5 CDBDHN O=[N+]([O-])c1cccnc1N[C@@H]1CCN(CC2CC2)C1 ZINC000609384317 342267944 /nfs/dbraw/zinc/26/79/44/342267944.db2.gz ILVBOEXQUNWCRX-LLVKDONJSA-N 0 3 262.313 1.886 20 5 CDBDHN O=[N+]([O-])c1cc([O-])ccc1-n1cc(C2CC[NH2+]CC2)nn1 ZINC000594653756 342934547 /nfs/dbraw/zinc/93/45/47/342934547.db2.gz ZQIJLZGUJPLQMX-UHFFFAOYSA-N 0 3 289.295 1.348 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC(O)CC2)cc1 ZINC000055898747 349701961 /nfs/dbraw/zinc/70/19/61/349701961.db2.gz XSVUGNFFOQROEN-UHFFFAOYSA-N 0 3 280.324 1.820 20 5 CDBDHN Cc1c[nH]c(CNCCc2cccc([N+](=O)[O-])c2)n1 ZINC000594933952 342976081 /nfs/dbraw/zinc/97/60/81/342976081.db2.gz BEXCVXBKCRXLKB-UHFFFAOYSA-N 0 3 260.297 1.959 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000619522855 349788910 /nfs/dbraw/zinc/78/89/10/349788910.db2.gz KNELVCFCBSGFQW-JTQLQIEISA-N 0 3 280.328 1.147 20 5 CDBDHN C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1CCO ZINC000595706017 343127655 /nfs/dbraw/zinc/12/76/55/343127655.db2.gz WPCLWWNECZCVKN-NEPJUHHUSA-N 0 3 282.344 1.274 20 5 CDBDHN CC[N@H+](C)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596141280 343241761 /nfs/dbraw/zinc/24/17/61/343241761.db2.gz HVPMLEFWRRTIDJ-JTQLQIEISA-N 0 3 280.328 1.473 20 5 CDBDHN CC[N@@H+](C)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596141280 343241763 /nfs/dbraw/zinc/24/17/63/343241763.db2.gz HVPMLEFWRRTIDJ-JTQLQIEISA-N 0 3 280.328 1.473 20 5 CDBDHN Cc1c([C@H](C)NCC2(CO)COC2)cccc1[N+](=O)[O-] ZINC000090606635 342396731 /nfs/dbraw/zinc/39/67/31/342396731.db2.gz YYPQNVRBBOTPQO-NSHDSACASA-N 0 3 280.324 1.563 20 5 CDBDHN C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000093333403 342422243 /nfs/dbraw/zinc/42/22/43/342422243.db2.gz VSBNXKPUPPBVPH-FZMZJTMJSA-N 0 3 280.324 1.676 20 5 CDBDHN COC(=O)[C@H]1C[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000597244797 343481595 /nfs/dbraw/zinc/48/15/95/343481595.db2.gz RUYXYEFZQUMPTI-XYPYZODXSA-N 0 3 264.281 1.636 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[C@@H](O)C1 ZINC000599006106 343938262 /nfs/dbraw/zinc/93/82/62/343938262.db2.gz CQBKFZTXJPVADK-GSJFWJNXSA-N 0 3 280.324 1.854 20 5 CDBDHN Cc1ccc(CN[C@@H]2CCOC[C@H]2O)cc1[N+](=O)[O-] ZINC000599012689 343939911 /nfs/dbraw/zinc/93/99/11/343939911.db2.gz UWFTZEHVHQITGP-DGCLKSJQSA-N 0 3 266.297 1.143 20 5 CDBDHN Cc1c([C@H](C)NCCN2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599086104 343951279 /nfs/dbraw/zinc/95/12/79/343951279.db2.gz YWGWVMZUKTTXIJ-QWHCGFSZSA-N 0 3 293.367 1.620 20 5 CDBDHN CC[C@H]1CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602786196 344599040 /nfs/dbraw/zinc/59/90/40/344599040.db2.gz CRCFELYHHCIWPU-NSHDSACASA-N 0 3 252.318 1.832 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CSCCN1 ZINC000603418570 344807686 /nfs/dbraw/zinc/80/76/86/344807686.db2.gz GLAUERYIXSUOAI-SECBINFHSA-N 0 3 285.373 1.237 20 5 CDBDHN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000033093349 345441538 /nfs/dbraw/zinc/44/15/38/345441538.db2.gz ICNNNVGXSVPWHR-SNVBAGLBSA-N 0 3 281.312 1.040 20 5 CDBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000295136775 199365498 /nfs/dbraw/zinc/36/54/98/199365498.db2.gz BPWGGRQOFILBMR-ZDUSSCGKSA-N 0 3 282.340 1.579 20 5 CDBDHN CN(C)CCN(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000610487465 346292775 /nfs/dbraw/zinc/29/27/75/346292775.db2.gz MWJVLFMCGQMEHE-UHFFFAOYSA-N 0 3 251.330 1.631 20 5 CDBDHN CCN1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611092020 346605537 /nfs/dbraw/zinc/60/55/37/346605537.db2.gz GSTLZNLIPDVFNW-ZDUSSCGKSA-N 0 3 293.367 2.000 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)CC2CC2)cc1 ZINC000611108186 346609727 /nfs/dbraw/zinc/60/97/27/346609727.db2.gz BISXCPNGYMJEAL-LBPRGKRZSA-N 0 3 250.298 1.845 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000086467401 179297128 /nfs/dbraw/zinc/29/71/28/179297128.db2.gz FPCOZYXVIWAJCB-GHMZBOCLSA-N 0 3 277.324 1.726 20 5 CDBDHN O=C(CCN1CCC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000041886275 348712242 /nfs/dbraw/zinc/71/22/42/348712242.db2.gz ZTVRYGXKPYONBG-ZDUSSCGKSA-N 0 3 293.323 1.380 20 5 CDBDHN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000136993478 362938166 /nfs/dbraw/zinc/93/81/66/362938166.db2.gz DIVCHXREBGMUTO-JTQLQIEISA-N 0 3 293.327 1.018 20 5 CDBDHN C[C@@H](NC[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000105932795 186092919 /nfs/dbraw/zinc/09/29/19/186092919.db2.gz AZWTWHZOYLNBIL-RISCZKNCSA-N 0 3 279.340 1.576 20 5 CDBDHN COc1ccc(CNCCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000106467801 186120234 /nfs/dbraw/zinc/12/02/34/186120234.db2.gz GBFOFKTXKLHDCV-UHFFFAOYSA-N 0 3 290.323 1.669 20 5 CDBDHN Cc1cccc(C(=O)NC[C@H]2CCN(C)C2)c1[N+](=O)[O-] ZINC000109848550 186276960 /nfs/dbraw/zinc/27/69/60/186276960.db2.gz FWFCCPCOWZWERO-LLVKDONJSA-N 0 3 277.324 1.585 20 5 CDBDHN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000110652172 186311076 /nfs/dbraw/zinc/31/10/76/186311076.db2.gz ISVMOPYRQJTACY-SECBINFHSA-N 0 3 281.287 1.415 20 5 CDBDHN CC[C@@](C)(O)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000111384749 186410446 /nfs/dbraw/zinc/41/04/46/186410446.db2.gz AOCIUHRFUXTTJY-CQSZACIVSA-N 0 3 298.339 1.863 20 5 CDBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)COC)cc1[N+](=O)[O-] ZINC000153857147 188108505 /nfs/dbraw/zinc/10/85/05/188108505.db2.gz RFXVBXQSBOKIPR-ZYHUDNBSSA-N 0 3 298.339 1.651 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CC[C@@H](CO)O1 ZINC000573338161 363346448 /nfs/dbraw/zinc/34/64/48/363346448.db2.gz FOIZWVMHFOOLJI-SUNKGSAMSA-N 0 3 292.335 1.712 20 5 CDBDHN CCN1CCN(CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286261177 356239087 /nfs/dbraw/zinc/23/90/87/356239087.db2.gz AXRFBICXRAHDBK-CYBMUJFWSA-N 0 3 293.367 2.000 20 5 CDBDHN CC[C@H](N)c1cn(Cc2cccc([N+](=O)[O-])c2C)nn1 ZINC000229935110 356322304 /nfs/dbraw/zinc/32/23/04/356322304.db2.gz YJPWMBJBNADVGL-NSHDSACASA-N 0 3 275.312 1.953 20 5 CDBDHN CCOc1cc(CN(C)CCC(N)=O)ccc1[N+](=O)[O-] ZINC000286448147 356422603 /nfs/dbraw/zinc/42/26/03/356422603.db2.gz MDDYCTGTGDVBIQ-UHFFFAOYSA-N 0 3 281.312 1.301 20 5 CDBDHN Cc1ccc(CN[C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359947906 356447510 /nfs/dbraw/zinc/44/75/10/356447510.db2.gz UWZFUZZYQFHORA-CQSZACIVSA-N 0 3 294.351 1.780 20 5 CDBDHN CC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037563096 356485728 /nfs/dbraw/zinc/48/57/28/356485728.db2.gz LJEHOXMGRWJLEQ-UHFFFAOYSA-N 0 3 283.353 1.757 20 5 CDBDHN O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])o1 ZINC000046993267 357151113 /nfs/dbraw/zinc/15/11/13/357151113.db2.gz ZMEXEXMKQZDPNA-NXEZZACHSA-N 0 3 279.296 1.544 20 5 CDBDHN COCC[C@](C)(O)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284139886 357645829 /nfs/dbraw/zinc/64/58/29/357645829.db2.gz ORMNAKNGKXGTFE-YGRLFVJLSA-N 0 3 297.355 1.615 20 5 CDBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408122510 358164457 /nfs/dbraw/zinc/16/44/57/358164457.db2.gz XWUFSEWGOHXAAA-MWLCHTKSSA-N 0 3 293.327 1.017 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057159460 366409584 /nfs/dbraw/zinc/40/95/84/366409584.db2.gz GIACIYWCPJCJGB-VIFPVBQESA-N 0 3 267.285 1.402 20 5 CDBDHN CCN(CCNC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000101962021 358867271 /nfs/dbraw/zinc/86/72/71/358867271.db2.gz ZQABRKYXDCNADT-UHFFFAOYSA-N 0 3 267.285 1.402 20 5 CDBDHN CCN(C[C@@H](C)OC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000291316995 358929074 /nfs/dbraw/zinc/92/90/74/358929074.db2.gz UGVPAQWBRIMNEW-BXUZGUMPSA-N 0 3 282.340 1.985 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000104187570 358950436 /nfs/dbraw/zinc/95/04/36/358950436.db2.gz PVSWODZJZYPBPF-JTQLQIEISA-N 0 3 263.297 1.276 20 5 CDBDHN O=[N+]([O-])c1cnn(CCN2CC[C@H](COC(F)F)C2)c1 ZINC000353009834 359055708 /nfs/dbraw/zinc/05/57/08/359055708.db2.gz ROWVAGDDCJWBLS-VIFPVBQESA-N 0 3 290.270 1.352 20 5 CDBDHN CC[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000339037621 359277811 /nfs/dbraw/zinc/27/78/11/359277811.db2.gz NDFXUNQHVWRKDR-JQWIXIFHSA-N 0 3 280.328 1.247 20 5 CDBDHN CCN(C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000112925361 359365200 /nfs/dbraw/zinc/36/52/00/359365200.db2.gz NMKMNECXLVBDCU-UHFFFAOYSA-N 0 3 281.312 1.285 20 5 CDBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1O ZINC000159457282 359481214 /nfs/dbraw/zinc/48/12/14/359481214.db2.gz LFYIAAIWSLTZDK-FZMZJTMJSA-N 0 3 264.325 1.840 20 5 CDBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408391977 359727999 /nfs/dbraw/zinc/72/79/99/359727999.db2.gz AMYOVOOGGCNOPI-MNOVXSKESA-N 0 3 292.339 1.622 20 5 CDBDHN Cc1cc(NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000134273812 360104588 /nfs/dbraw/zinc/10/45/88/360104588.db2.gz UHPHNNGEDSCHBN-LLVKDONJSA-N 0 3 251.286 1.304 20 5 CDBDHN Cc1c(CN2CC[C@@](C)(O)C2)cccc1[N+](=O)[O-] ZINC000177995571 189084342 /nfs/dbraw/zinc/08/43/42/189084342.db2.gz XLCMAHHYDCHWPL-CYBMUJFWSA-N 0 3 250.298 1.860 20 5 CDBDHN CC(C)(C)[C@@H](CO)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000180631748 189266841 /nfs/dbraw/zinc/26/68/41/189266841.db2.gz XCOWQSCDGQXCFC-GFCCVEGCSA-N 0 3 295.339 1.190 20 5 CDBDHN CO[C@@H]1[C@H]2C[C@H]3CN(CCn4cc([N+](=O)[O-])cn4)[C@H]1[C@H]3C2 ZINC000367582954 363993266 /nfs/dbraw/zinc/99/32/66/363993266.db2.gz ACRPDPXJOZMENG-OIAGVMEESA-N 0 3 292.339 1.147 20 5 CDBDHN C[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])N(C)C ZINC000037985919 364009663 /nfs/dbraw/zinc/00/96/63/364009663.db2.gz TZUAJDOEBGVDDA-MRVPVSSYSA-N 0 3 291.311 1.193 20 5 CDBDHN Cc1c(CN(CCO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000275492145 193058232 /nfs/dbraw/zinc/05/82/32/193058232.db2.gz FXVOBDPQTVCDOI-UHFFFAOYSA-N 0 3 294.351 1.877 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(OC[C@H](O)CN(C)C2CC2)c1 ZINC000386501088 367013250 /nfs/dbraw/zinc/01/32/50/367013250.db2.gz AQBIELVYHOXZRB-LLVKDONJSA-N 0 3 296.323 1.437 20 5 CDBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000272628265 367784005 /nfs/dbraw/zinc/78/40/05/367784005.db2.gz MVDAFGKHMWGCSU-RISCZKNCSA-N 0 3 289.335 1.761 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN[C@H](C)C1 ZINC000420339089 244110163 /nfs/dbraw/zinc/11/01/63/244110163.db2.gz QJDGNDVSNPHGNP-LLVKDONJSA-N 0 3 292.339 1.135 20 5 CDBDHN C[C@@H](Cn1cc([N+](=O)[O-])cc(Cl)c1=O)N(C)C ZINC000330891936 203359689 /nfs/dbraw/zinc/35/96/89/203359689.db2.gz XLWNAYJHIWFLAL-ZETCQYMHSA-N 0 3 259.693 1.360 20 5 CDBDHN NC(=O)C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000367983042 371268766 /nfs/dbraw/zinc/26/87/66/371268766.db2.gz MRFFHOFUXJYCFC-LLVKDONJSA-N 0 3 293.323 1.171 20 5 CDBDHN CN(CCOCC1CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000130904396 374193395 /nfs/dbraw/zinc/19/33/95/374193395.db2.gz NBPVWKWFDGJQDN-UHFFFAOYSA-N 0 3 268.317 1.150 20 5 CDBDHN C[C@@H]1CN2CCCC[C@@H]2CN1Cc1c([N+](=O)[O-])ncn1C ZINC000370056165 374377349 /nfs/dbraw/zinc/37/73/49/374377349.db2.gz OYVPLWGPRARDCP-VXGBXAGGSA-N 0 3 293.371 1.387 20 5 CDBDHN C[C@H](NC[C@@H]1CNCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423527560 374387803 /nfs/dbraw/zinc/38/78/03/374387803.db2.gz RWXCVSLYULSYSW-GWCFXTLKSA-N 0 3 265.313 1.234 20 5 CDBDHN C[C@@]1(C(N)=O)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000280827807 375026773 /nfs/dbraw/zinc/02/67/73/375026773.db2.gz VRDJPPLFOCSONF-CQSZACIVSA-N 0 3 293.323 1.171 20 5 CDBDHN CN(CCNc1cc(N)ccc1[N+](=O)[O-])C1CC1 ZINC000282199952 375070787 /nfs/dbraw/zinc/07/07/87/375070787.db2.gz LQUOAKIYNRRIJK-UHFFFAOYSA-N 0 3 250.302 1.683 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)C)c1 ZINC000283169187 375110344 /nfs/dbraw/zinc/11/03/44/375110344.db2.gz DCRYSNZERMMKHF-UHFFFAOYSA-N 0 3 281.312 1.285 20 5 CDBDHN CC[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N(C)C ZINC000282369167 375082633 /nfs/dbraw/zinc/08/26/33/375082633.db2.gz BXYAKBQXMAIFBY-AWEZNQCLSA-N 0 3 293.367 1.936 20 5 CDBDHN C[C@@H](O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000162746561 375504090 /nfs/dbraw/zinc/50/40/90/375504090.db2.gz PHQBKLXCQYAFMM-PWSUYJOCSA-N 0 3 250.298 1.798 20 5 CDBDHN C[C@H]1OCC[C@]1(O)CNCc1csc([N+](=O)[O-])c1 ZINC000227966910 375657692 /nfs/dbraw/zinc/65/76/92/375657692.db2.gz DYAVWEKQJKAHCV-KCJUWKMLSA-N 0 3 272.326 1.286 20 5 CDBDHN Cc1ccc(CNC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000133159986 375701989 /nfs/dbraw/zinc/70/19/89/375701989.db2.gz HBCBZJCRVMAHGW-UHFFFAOYSA-N 0 3 250.298 1.908 20 5 CDBDHN CN(C)CCN(C(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000356285792 375831272 /nfs/dbraw/zinc/83/12/72/375831272.db2.gz VTKZQVSIFWENMG-UHFFFAOYSA-N 0 3 283.353 1.823 20 5 CDBDHN CN1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000229822507 375960303 /nfs/dbraw/zinc/96/03/03/375960303.db2.gz CFLNKUZDYALQLF-YVMONPNESA-N 0 3 289.335 1.772 20 5 CDBDHN CN1CC[C@](O)(CNc2ccccc2[N+](=O)[O-])C1 ZINC000358325093 375960629 /nfs/dbraw/zinc/96/06/29/375960629.db2.gz AJKBMLNYCGFPIE-LBPRGKRZSA-N 0 3 251.286 1.073 20 5 CDBDHN COCC[C@@](C)(O)CNCc1csc([N+](=O)[O-])c1 ZINC000172072150 377241008 /nfs/dbraw/zinc/24/10/08/377241008.db2.gz WOJBXAVPROUTPN-LLVKDONJSA-N 0 3 274.342 1.533 20 5 CDBDHN CN1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173400623 378309012 /nfs/dbraw/zinc/30/90/12/378309012.db2.gz QKJMTDHEJMXZNQ-UHFFFAOYSA-N 0 3 277.324 1.348 20 5 CDBDHN CCOC1CC(O)(CNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000444019231 250073891 /nfs/dbraw/zinc/07/38/91/250073891.db2.gz WVWODUCMAWCFEM-UHFFFAOYSA-N 0 3 298.314 1.754 20 5 CDBDHN CC[C@@]1(O)CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000495207609 253696128 /nfs/dbraw/zinc/69/61/28/253696128.db2.gz YHEGJENXSHALSX-CQSZACIVSA-N 0 3 280.324 1.820 20 5 CDBDHN CC[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000281355526 195208812 /nfs/dbraw/zinc/20/88/12/195208812.db2.gz KXBGEEZHEPGWKP-LLVKDONJSA-N 0 3 268.317 1.292 20 5 CDBDHN CC[C@@H](C)[C@@H](N)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000236974792 391126744 /nfs/dbraw/zinc/12/67/44/391126744.db2.gz LUWVQTPPCSKXKA-ZWNOBZJWSA-N 0 3 279.340 1.627 20 5 CDBDHN CN1CC=C(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413220569 391179925 /nfs/dbraw/zinc/17/99/25/391179925.db2.gz GQWQACOPHVVDKB-UHFFFAOYSA-N 0 3 266.276 1.803 20 5 CDBDHN C[C@H](NC[C@]1(O)CCO[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000228053571 391914964 /nfs/dbraw/zinc/91/49/64/391914964.db2.gz CJQWVKXCZAWWOX-MISXGVKJSA-N 0 3 280.324 1.785 20 5 CDBDHN CO[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000487987899 391930113 /nfs/dbraw/zinc/93/01/13/391930113.db2.gz LZPJYACIVMFSSQ-OKILXGFUSA-N 0 3 280.324 1.483 20 5 CDBDHN O=C(CNCC1CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262632833 131244424 /nfs/dbraw/zinc/24/44/24/131244424.db2.gz LLEPXIVABZWILX-UHFFFAOYSA-N 0 3 275.308 1.484 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000264888551 131518026 /nfs/dbraw/zinc/51/80/26/131518026.db2.gz JLAQVNPOWBHCHG-UHFFFAOYSA-N 0 3 281.312 1.285 20 5 CDBDHN O=[N+]([O-])c1cccc(CNC[C@@]2(O)CCSC2)c1 ZINC000267087534 131818423 /nfs/dbraw/zinc/81/84/23/131818423.db2.gz TZAPZOACWZHEHG-LBPRGKRZSA-N 0 3 268.338 1.552 20 5 CDBDHN C[C@@H]1CN(CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000275762708 135111838 /nfs/dbraw/zinc/11/18/38/135111838.db2.gz FOZDXYGNQNFGHN-LLVKDONJSA-N 0 3 294.355 1.271 20 5 CDBDHN O=[N+]([O-])c1cc(F)c(NC[C@H]2CNCCO2)c(F)c1 ZINC000236206884 140238912 /nfs/dbraw/zinc/23/89/12/140238912.db2.gz VYIYZQLBHXZNCD-MRVPVSSYSA-N 0 3 273.239 1.273 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCN(C)C1 ZINC000104189404 147186991 /nfs/dbraw/zinc/18/69/91/147186991.db2.gz FDRZLXRPCSSGFZ-SNVBAGLBSA-N 0 3 293.323 1.285 20 5 CDBDHN COc1ccc(OC[C@@H](O)CN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000314905059 149257635 /nfs/dbraw/zinc/25/76/35/149257635.db2.gz IUVGVBYLDGONLX-NSHDSACASA-N 0 3 296.323 1.437 20 5 CDBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])nc2)CCCN1C ZINC000343509300 152205887 /nfs/dbraw/zinc/20/58/87/152205887.db2.gz HZCMSRRISOFDDD-GXSJLCMTSA-N 0 3 250.302 1.884 20 5 CDBDHN CNC(=O)[C@H]1CCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000345813499 152961753 /nfs/dbraw/zinc/96/17/53/152961753.db2.gz GDUGWFVPNGJAHU-QWHCGFSZSA-N 0 3 277.324 1.599 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCOCCN(C)C)c1 ZINC000345950498 153006334 /nfs/dbraw/zinc/00/63/34/153006334.db2.gz GGRSYHBWIZKNSD-UHFFFAOYSA-N 0 3 295.339 1.211 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CC[C@@H](CO)O2)cc1 ZINC000353714172 156034621 /nfs/dbraw/zinc/03/46/21/156034621.db2.gz WLOLDKFYQLSWCY-STQMWFEESA-N 0 3 266.297 1.224 20 5 CDBDHN CN1CC[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000374912247 160326504 /nfs/dbraw/zinc/32/65/04/160326504.db2.gz NVTHVDTZMUJCMV-SMDDNHRTSA-N 0 3 289.335 1.761 20 5 CDBDHN CN(CCOc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000285367746 196262912 /nfs/dbraw/zinc/26/29/12/196262912.db2.gz BWYGAZLFMUNSTM-UHFFFAOYSA-N 0 3 266.297 1.430 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000038060679 174071883 /nfs/dbraw/zinc/07/18/83/174071883.db2.gz SHMTVRIEENEFSZ-WCQYABFASA-N 0 3 280.324 1.969 20 5 CDBDHN NC(=O)c1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000044411813 175171834 /nfs/dbraw/zinc/17/18/34/175171834.db2.gz QRSJXUXWFWLSAL-JTQLQIEISA-N 0 3 290.323 1.342 20 5 CDBDHN CSc1cccc(C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000188753196 270272793 /nfs/dbraw/zinc/27/27/93/270272793.db2.gz KBUAXPOATKJCFU-UHFFFAOYSA-N 0 3 283.353 1.608 20 5 CDBDHN COC(=O)c1ccc([N+](=O)[O-])c(NCC2(N(C)C)CC2)n1 ZINC000397896865 270352449 /nfs/dbraw/zinc/35/24/49/270352449.db2.gz RKRPJGIHPWMZNH-UHFFFAOYSA-N 0 3 294.311 1.283 20 5 CDBDHN CC1(C)CN(c2nc3sccn3c2[N+](=O)[O-])CCN1 ZINC000212779279 273585498 /nfs/dbraw/zinc/58/54/98/273585498.db2.gz KCBNRIBZABYCKA-UHFFFAOYSA-N 0 3 281.341 1.492 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCCO)CCC2 ZINC000192592831 275037967 /nfs/dbraw/zinc/03/79/67/275037967.db2.gz OWNBYOUHQNIIHB-ZDUSSCGKSA-N 0 3 250.298 1.944 20 5 CDBDHN CCN1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000330701900 276157771 /nfs/dbraw/zinc/15/77/71/276157771.db2.gz HRXNYYZLPKNAOG-SNVBAGLBSA-N 0 3 295.343 1.231 20 5 CDBDHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000262885607 278092626 /nfs/dbraw/zinc/09/26/26/278092626.db2.gz WJVXISCQAIQIBX-DTWKUNHWSA-N 0 3 281.287 1.556 20 5 CDBDHN COc1ccc(CN(C[C@@H](C)O)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000248953371 280397438 /nfs/dbraw/zinc/39/74/38/280397438.db2.gz PXINUFKIZOIJMZ-GHMZBOCLSA-N 0 3 298.339 1.167 20 5 CDBDHN C[C@H]1C[C@H](C)CN(CCn2cccc([N+](=O)[O-])c2=O)C1 ZINC000565243350 293576752 /nfs/dbraw/zinc/57/67/52/293576752.db2.gz XRALBDZSRBMTAW-RYUDHWBXSA-N 0 3 279.340 1.734 20 5 CDBDHN C[C@H](O)CCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583703765 325226829 /nfs/dbraw/zinc/22/68/29/325226829.db2.gz JAKLJMBYDKMISC-CABZTGNLSA-N 0 3 250.298 1.943 20 5 CDBDHN CC[C@H](N[C@@H]1CCC(=O)NC1)c1cccc([N+](=O)[O-])c1 ZINC000111018584 522710523 /nfs/dbraw/zinc/71/05/23/522710523.db2.gz IGWSPPRNDWICLV-YPMHNXCESA-N 0 3 277.324 1.914 20 5 CDBDHN C[C@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000157857533 524817080 /nfs/dbraw/zinc/81/70/80/524817080.db2.gz DCIIBVFBAPDWGU-VIFPVBQESA-N 0 3 263.297 1.433 20 5 CDBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000337295332 524937951 /nfs/dbraw/zinc/93/79/51/524937951.db2.gz AIVJHYFDDISTLA-MFKMUULPSA-N 0 3 293.323 1.236 20 5 CDBDHN Cc1ccc([C@@H](C)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000020091487 525726043 /nfs/dbraw/zinc/72/60/43/525726043.db2.gz RVXPWNGXJVJGMQ-CYBMUJFWSA-N 0 3 293.367 1.886 20 5 CDBDHN CCC[C@@](C)(N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000262327293 535527837 /nfs/dbraw/zinc/52/78/37/535527837.db2.gz UKVDRFDLUXLUAK-CQSZACIVSA-N 0 3 294.355 1.640 20 5 CDBDHN CCn1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000732569793 575091742 /nfs/dbraw/zinc/09/17/42/575091742.db2.gz OBOSYBSEOHUNHT-AWEZNQCLSA-N 0 3 290.323 1.634 20 5 CDBDHN C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000766184444 576084196 /nfs/dbraw/zinc/08/41/96/576084196.db2.gz PIPQNKCOZMHWRC-IINYFYTJSA-N 0 3 290.323 1.713 20 5 CDBDHN C[C@@H]1CCCN1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000744351900 576677392 /nfs/dbraw/zinc/67/73/92/576677392.db2.gz YPTLGWQVSOYYQU-SNVBAGLBSA-N 0 3 280.328 1.147 20 5 CDBDHN CCOc1cc(CN[C@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000755053503 576928315 /nfs/dbraw/zinc/92/83/15/576928315.db2.gz AVONEAIGUSQFFR-GFCCVEGCSA-N 0 3 280.324 1.854 20 5 CDBDHN CC1(C)CNCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843352234 617327006 /nfs/dbraw/zinc/32/70/06/617327006.db2.gz UWQWTZCKVWLFLL-UHFFFAOYSA-N 0 3 278.312 1.001 20 5 CDBDHN CC(COC(=O)CCNC(=O)c1ccsc1)[N+](=O)[O-] ZINC000813114781 617349247 /nfs/dbraw/zinc/34/92/47/617349247.db2.gz GMOGRBRDOIHYCM-MRVPVSSYSA-N 0 3 286.309 1.076 20 5 CDBDHN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CCCCN1C1CC1 ZINC000893515188 618018142 /nfs/dbraw/zinc/01/81/42/618018142.db2.gz INEFQWJBGFJMAB-LLVKDONJSA-N 0 3 279.344 1.757 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NOCCN(C)C)c1C ZINC000897876452 621182166 /nfs/dbraw/zinc/18/21/66/621182166.db2.gz LYUMEJULCIXKFT-UHFFFAOYSA-N 0 3 281.312 1.435 20 5 CDBDHN COc1ccccc1[C@H](CNCC[N+](=O)[O-])N1CCCC1 ZINC000899860853 622487728 /nfs/dbraw/zinc/48/77/28/622487728.db2.gz VRPVFGMJJPZUEY-AWEZNQCLSA-N 0 3 293.367 1.698 20 5 CDBDHN CCC[C@@H](NCC[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000905360378 626769951 /nfs/dbraw/zinc/76/99/51/626769951.db2.gz MZWMNPDKYJHBMM-CHWSQXEVSA-N 0 3 252.314 1.755 20 5 CDBDHN O=[N+]([O-])CCNC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000905376360 626791796 /nfs/dbraw/zinc/79/17/96/626791796.db2.gz TXFGDWOYNJIXAN-STQMWFEESA-N 0 3 250.298 1.019 20 5 CDBDHN CN1CC(CNc2cc3c(c([N+](=O)[O-])c2)NN(C)C3)C1 ZINC001170258213 1162319792 /nfs/dbraw/zinc/31/97/92/1162319792.db2.gz GWNARTMUJBZJNW-UHFFFAOYSA-N 0 3 277.328 1.341 20 5 CDBDHN CC[C@@]1(O)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000778402390 705332705 /nfs/dbraw/zinc/33/27/05/705332705.db2.gz QMFDNVSIYDQKTN-UONOGXRCSA-N 0 3 280.324 1.475 20 5 CDBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CC1 ZINC001019914957 705365629 /nfs/dbraw/zinc/36/56/29/705365629.db2.gz BHJLRSHXHQBTEV-JOCQHMNTSA-N 0 3 289.335 1.742 20 5 CDBDHN COc1cc(NCCN(C)CCO)c([N+](=O)[O-])cc1F ZINC000884824740 705422391 /nfs/dbraw/zinc/42/23/91/705422391.db2.gz LHTGHHYMBOWDIB-UHFFFAOYSA-N 0 3 287.291 1.079 20 5 CDBDHN CSCC[C@@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000130907376 705597032 /nfs/dbraw/zinc/59/70/32/705597032.db2.gz OMFNNVRCLUGFLK-SECBINFHSA-N 0 3 283.353 1.922 20 5 CDBDHN CC(=O)N1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000821328483 705726535 /nfs/dbraw/zinc/72/65/35/705726535.db2.gz KGWWWLJPUIXOLU-OKILXGFUSA-N 0 3 289.335 1.505 20 5 CDBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNC1CC1)CC2 ZINC000818609565 705895717 /nfs/dbraw/zinc/89/57/17/705895717.db2.gz VDRJLFSQOAFCKN-UHFFFAOYSA-N 0 3 275.308 1.544 20 5 CDBDHN Cc1cc2c(cc1C)[C@H](C(=O)OCC(C)[N+](=O)[O-])CO2 ZINC000813114918 706235131 /nfs/dbraw/zinc/23/51/31/706235131.db2.gz XSKLMYDEJQDLHY-ZYHUDNBSSA-N 0 3 279.292 1.988 20 5 CDBDHN CC(COC(=O)c1cn(C)nc1-c1cccnc1)[N+](=O)[O-] ZINC000813108190 710030441 /nfs/dbraw/zinc/03/04/41/710030441.db2.gz CDAHRVPEBOAHAB-VIFPVBQESA-N 0 3 290.279 1.304 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CC(=O)N(C)C1 ZINC000873036614 710233188 /nfs/dbraw/zinc/23/31/88/710233188.db2.gz VEAVPBFIZSMAHC-NSHDSACASA-N 0 3 277.324 1.532 20 5 CDBDHN CN(C[C@H]1CCOC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000176103552 710307164 /nfs/dbraw/zinc/30/71/64/710307164.db2.gz YKTHJKIYHQQVJN-LLVKDONJSA-N 0 3 290.323 1.870 20 5 CDBDHN CC(=O)N1CC[C@@H](NCc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873140952 710325794 /nfs/dbraw/zinc/32/57/94/710325794.db2.gz WWPZFYSRTYLDAH-CYBMUJFWSA-N 0 3 291.351 1.922 20 5 CDBDHN CC(COC(=O)c1sc(N(C)C)nc1Cl)[N+](=O)[O-] ZINC000835457658 710431614 /nfs/dbraw/zinc/43/16/14/710431614.db2.gz XZLKQFFTSQQCLO-YFKPBYRVSA-N 0 3 293.732 1.685 20 5 CDBDHN CCCN(CCN(C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000050709027 710474462 /nfs/dbraw/zinc/47/44/62/710474462.db2.gz OMJICBDGTROUFJ-UHFFFAOYSA-N 0 3 294.355 1.591 20 5 CDBDHN CC(COC(=O)[C@@H](C)C(=O)OC(C)(C)C)[N+](=O)[O-] ZINC000842364593 710543658 /nfs/dbraw/zinc/54/36/58/710543658.db2.gz ZHDDHVKCEHOMEH-JGVFFNPUSA-N 0 3 261.274 1.173 20 5 CDBDHN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](CO)C1CC1 ZINC000851933248 710582657 /nfs/dbraw/zinc/58/26/57/710582657.db2.gz PIXAAPMXEAENOM-NSHDSACASA-N 0 3 254.261 1.594 20 5 CDBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000092673165 710833849 /nfs/dbraw/zinc/83/38/49/710833849.db2.gz YJDQPKYDVWQABE-NSHDSACASA-N 0 3 292.339 1.343 20 5 CDBDHN C[C@@H]1C[C@H](CO)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000817278163 710834935 /nfs/dbraw/zinc/83/49/35/710834935.db2.gz TVDWPPAZNQMKDG-TYNCELHUSA-N 0 3 294.351 1.579 20 5 CDBDHN CC(COC(=O)c1ccc(-n2ccnc2)cc1)[N+](=O)[O-] ZINC000813102786 710857443 /nfs/dbraw/zinc/85/74/43/710857443.db2.gz VNWUYFICVURCKR-JTQLQIEISA-N 0 3 275.264 1.694 20 5 CDBDHN CC(C)(C)OC(=O)N1CC[C@@H](NCC[N+](=O)[O-])C1(C)C ZINC000930670358 711781415 /nfs/dbraw/zinc/78/14/15/711781415.db2.gz ZHSBNSZNCBQSLP-SNVBAGLBSA-N 0 3 287.360 1.641 20 5 CDBDHN CC(COC(=O)c1cnn(-c2ccccc2)n1)[N+](=O)[O-] ZINC000813112318 711815358 /nfs/dbraw/zinc/81/53/58/711815358.db2.gz FEWKPYNJTQGUOJ-SECBINFHSA-N 0 3 276.252 1.089 20 5 CDBDHN CC[C@@]1(O)CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879313122 711817078 /nfs/dbraw/zinc/81/70/78/711817078.db2.gz FYOZWAFCCGQQBD-LSDHHAIUSA-N 0 3 294.351 1.865 20 5 CDBDHN CCOc1cnc(-n2nc(CN)cc2C)c([N+](=O)[O-])c1 ZINC001163980263 924446636 /nfs/dbraw/zinc/44/66/36/924446636.db2.gz PQKQWGSFAOXYDF-UHFFFAOYSA-N 0 3 277.284 1.341 20 5 CDBDHN C[C@@H](CCO)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001165903864 925042146 /nfs/dbraw/zinc/04/21/46/925042146.db2.gz CAXHSDOOBXSNMN-QMMMGPOBSA-N 0 3 251.286 1.381 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NC2(c3cnccn3)CC2)C1 ZINC001168997976 927603469 /nfs/dbraw/zinc/60/34/69/927603469.db2.gz GXKMEADAOMFKAY-MNOVXSKESA-N 0 3 262.313 1.501 20 5 CDBDHN Cc1cc(-n2nncc2CN)nc2ccc([N+](=O)[O-])cc12 ZINC001158420172 938620883 /nfs/dbraw/zinc/62/08/83/938620883.db2.gz GDVUNWRHMMUGDI-UHFFFAOYSA-N 0 3 284.279 1.491 20 5 CDBDHN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCNC3(CC3)C2)n1 ZINC001158933715 938680323 /nfs/dbraw/zinc/68/03/23/938680323.db2.gz TZOZHQGHOXAQAC-UHFFFAOYSA-N 0 3 283.719 1.289 20 5 CDBDHN NCc1ccc(Nc2nc(Cl)ncc2[N+](=O)[O-])cn1 ZINC001160396469 938784096 /nfs/dbraw/zinc/78/40/96/938784096.db2.gz IPCXLKYXRVSOTA-UHFFFAOYSA-N 0 3 280.675 1.636 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NCCCN1CCN(C)CC1 ZINC001161708945 938924098 /nfs/dbraw/zinc/92/40/98/938924098.db2.gz ZAWZBSKYLOOZHI-UHFFFAOYSA-N 0 3 292.383 1.953 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)N1CCCC1 ZINC001254534739 947515524 /nfs/dbraw/zinc/51/55/24/947515524.db2.gz CIKPEBHINJTPOQ-GFCCVEGCSA-N 0 3 291.351 1.738 20 5 CDBDHN CC(=O)[C@@H]1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254608629 947556818 /nfs/dbraw/zinc/55/68/18/947556818.db2.gz RLVLPJMEPYECBU-IUODEOHRSA-N 0 3 274.320 1.973 20 5 CDBDHN N[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCC1 ZINC001329260272 955783416 /nfs/dbraw/zinc/78/34/16/955783416.db2.gz WQLXEKJGTMFECA-CYBMUJFWSA-N 0 3 275.308 1.564 20 5 CDBDHN CN1CCCC[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001514830780 976360755 /nfs/dbraw/zinc/36/07/55/976360755.db2.gz SSLBLMJYNBYLNC-ZDUSSCGKSA-N 0 3 291.351 1.738 20 5 CDBDHN C[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000124351235 187133581 /nfs/dbraw/zinc/13/35/81/187133581.db2.gz PXHPFMCNGDXZQY-ZDUSSCGKSA-N 0 3 250.298 1.942 20 5 CDBDHN CN1CCC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601129281 342473888 /nfs/dbraw/zinc/47/38/88/342473888.db2.gz PKDLINWPBGPCPD-JTQLQIEISA-N 0 3 295.314 1.806 20 5 CDBDHN CC[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)O ZINC000590659870 342581485 /nfs/dbraw/zinc/58/14/85/342581485.db2.gz LBIIMZDKYQLEBQ-ONGXEEELSA-N 0 3 296.323 1.615 20 5 CDBDHN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN1 ZINC000592543852 342708756 /nfs/dbraw/zinc/70/87/56/342708756.db2.gz QJWVXBBXBDSLGE-LLVKDONJSA-N 0 3 280.328 1.003 20 5 CDBDHN CC1(C)CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1 ZINC000593502836 342808775 /nfs/dbraw/zinc/80/87/75/342808775.db2.gz VEKKRQUMNFHQLQ-UHFFFAOYSA-N 0 3 295.314 1.487 20 5 CDBDHN Cc1ccc(CN[C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593690180 342823346 /nfs/dbraw/zinc/82/33/46/342823346.db2.gz UNFIODXYWKNUJQ-LLVKDONJSA-N 0 3 256.277 1.713 20 5 CDBDHN CC1(C)CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCN1 ZINC000212604654 342278718 /nfs/dbraw/zinc/27/87/18/342278718.db2.gz GUZIBHVURRDYQD-UHFFFAOYSA-N 0 3 287.323 1.726 20 5 CDBDHN Cc1c[nH]c(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000594923213 342988198 /nfs/dbraw/zinc/98/81/98/342988198.db2.gz XQCZSHPSEJKXBY-UHFFFAOYSA-N 0 3 260.297 1.959 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)CN(C)C ZINC000595019573 342995816 /nfs/dbraw/zinc/99/58/16/342995816.db2.gz RJUUKHFFNICSER-PWSUYJOCSA-N 0 3 297.355 1.177 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CNC(=O)C1 ZINC000595043787 342998737 /nfs/dbraw/zinc/99/87/37/342998737.db2.gz AFAASPPPNYSJCO-ZJUUUORDSA-N 0 3 293.323 1.390 20 5 CDBDHN Cc1noc(CN(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000595546466 343084296 /nfs/dbraw/zinc/08/42/96/343084296.db2.gz OFNIPVMBBSPZJH-SNVBAGLBSA-N 0 3 268.317 1.417 20 5 CDBDHN CCN(C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922922 362039223 /nfs/dbraw/zinc/03/92/23/362039223.db2.gz YWXKQQNFWZJESF-UHFFFAOYSA-N 0 3 290.323 1.758 20 5 CDBDHN C[C@H](CO)[C@H]1CCCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000595674540 343128821 /nfs/dbraw/zinc/12/88/21/343128821.db2.gz LERDUMWFLUYKEZ-DGCLKSJQSA-N 0 3 282.344 1.274 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595746023 343150842 /nfs/dbraw/zinc/15/08/42/343150842.db2.gz ZNYNUANGDDXUEG-CQSZACIVSA-N 0 3 296.323 1.321 20 5 CDBDHN CN(CC[N@H+](C)C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596194492 343253866 /nfs/dbraw/zinc/25/38/66/343253866.db2.gz MCJHWNPZLHCVKA-UHFFFAOYSA-N 0 3 266.301 1.226 20 5 CDBDHN CN(CC[N@@H+](C)C1CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596194492 343253868 /nfs/dbraw/zinc/25/38/68/343253868.db2.gz MCJHWNPZLHCVKA-UHFFFAOYSA-N 0 3 266.301 1.226 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1 ZINC000598569857 343832348 /nfs/dbraw/zinc/83/23/48/343832348.db2.gz FLDIXDJZIABSMW-AWEZNQCLSA-N 0 3 291.351 1.594 20 5 CDBDHN Cc1ccc([C@@H](C)NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599085550 343951447 /nfs/dbraw/zinc/95/14/47/343951447.db2.gz SMBDFHLBKXFMDH-TZMCWYRMSA-N 0 3 293.367 1.620 20 5 CDBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000515416069 362312481 /nfs/dbraw/zinc/31/24/81/362312481.db2.gz HJAIADZJODKPAX-SECBINFHSA-N 0 3 295.343 1.120 20 5 CDBDHN CO[C@H]1CN[C@@](C)(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000602431662 344423598 /nfs/dbraw/zinc/42/35/98/344423598.db2.gz IZMGVMQQLQPQNY-BXUZGUMPSA-N 0 3 293.323 1.609 20 5 CDBDHN CCN[C@@H](C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000602450986 344435102 /nfs/dbraw/zinc/43/51/02/344435102.db2.gz DPIQXOWHTWZMSL-JTQLQIEISA-N 0 3 281.312 1.088 20 5 CDBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000602766295 344573072 /nfs/dbraw/zinc/57/30/72/344573072.db2.gz OGUNJQDNJCYSIZ-GFCCVEGCSA-N 0 3 282.344 1.601 20 5 CDBDHN CC(C)[C@H]1CN(Cc2cn(C)nc2[N+](=O)[O-])CCN1C ZINC000602629399 344521778 /nfs/dbraw/zinc/52/17/78/344521778.db2.gz GFERUXUBZDJTDK-GFCCVEGCSA-N 0 3 281.360 1.100 20 5 CDBDHN CCN1CCN(CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602802055 344591443 /nfs/dbraw/zinc/59/14/43/344591443.db2.gz SKSHIFHFMRVKLV-NSHDSACASA-N 0 3 281.360 1.126 20 5 CDBDHN COC[C@]1(C)CCN(CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602835263 344618463 /nfs/dbraw/zinc/61/84/63/344618463.db2.gz IMXFTTNUROLRPK-CYBMUJFWSA-N 0 3 282.344 1.458 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1ncn(C)n1 ZINC000536910977 282348300 /nfs/dbraw/zinc/34/83/00/282348300.db2.gz RRSZGFRGNZIWJP-NSHDSACASA-N 0 3 289.339 1.925 20 5 CDBDHN CN1CCN(CCCn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000344138503 362544394 /nfs/dbraw/zinc/54/43/94/362544394.db2.gz NPASNMIHVILNIP-UHFFFAOYSA-N 0 3 293.371 1.306 20 5 CDBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](CO)C2)c1 ZINC000265882761 362628294 /nfs/dbraw/zinc/62/82/94/362628294.db2.gz PVUCREDSUHCIIC-GFCCVEGCSA-N 0 3 280.324 1.678 20 5 CDBDHN Cc1ccc(C(=O)N2CCNCC2(C)C)cc1[N+](=O)[O-] ZINC000088138817 346014340 /nfs/dbraw/zinc/01/43/40/346014340.db2.gz OLCREGFDZLIDCS-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N(C)C ZINC000058831713 347393530 /nfs/dbraw/zinc/39/35/30/347393530.db2.gz FWHUIJSXCVZZLN-VIFPVBQESA-N 0 3 290.323 1.756 20 5 CDBDHN CN(Cc1ccsc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304344197 347614969 /nfs/dbraw/zinc/61/49/69/347614969.db2.gz QARQCLVYWJTCKX-LBPRGKRZSA-N 0 3 296.352 1.346 20 5 CDBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000068341709 349062301 /nfs/dbraw/zinc/06/23/01/349062301.db2.gz PHPGMEYPFXXHNO-LLVKDONJSA-N 0 3 277.324 1.761 20 5 CDBDHN Cn1cncc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000105448140 186057834 /nfs/dbraw/zinc/05/78/34/186057834.db2.gz VRYUUGLEIIGNEU-UHFFFAOYSA-N 0 3 260.297 1.661 20 5 CDBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000106879706 186146261 /nfs/dbraw/zinc/14/62/61/186146261.db2.gz RBYPMHCWPMWJQT-GFCCVEGCSA-N 0 3 266.297 1.694 20 5 CDBDHN Cn1cc(CCNCc2csc([N+](=O)[O-])c2)cn1 ZINC000111158529 186362132 /nfs/dbraw/zinc/36/21/32/186362132.db2.gz KCFCKEVKGDCVFI-UHFFFAOYSA-N 0 3 266.326 1.722 20 5 CDBDHN CN1CCN(CCCNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413034734 363220830 /nfs/dbraw/zinc/22/08/30/363220830.db2.gz OAWDITOSXZMHME-UHFFFAOYSA-N 0 3 297.334 1.178 20 5 CDBDHN C[C@@H](CNC(=O)NCCc1ccccc1[N+](=O)[O-])N(C)C ZINC000454588060 252353912 /nfs/dbraw/zinc/35/39/12/252353912.db2.gz PUILKVWAMYKJMI-NSHDSACASA-N 0 3 294.355 1.387 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000112839637 366160184 /nfs/dbraw/zinc/16/01/84/366160184.db2.gz IEHVBBOTWJJUCH-ZIAGYGMSSA-N 0 3 291.351 1.548 20 5 CDBDHN C[C@H]1CCSCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286332166 356254902 /nfs/dbraw/zinc/25/49/02/356254902.db2.gz XBLDZSQCWXHUPN-NSHDSACASA-N 0 3 297.380 1.584 20 5 CDBDHN CC(=O)c1cc(NC[C@@](C)(O)CN(C)C)ccc1[N+](=O)[O-] ZINC000286387967 356279496 /nfs/dbraw/zinc/27/94/96/356279496.db2.gz YSIOBEHJHWVGRB-CQSZACIVSA-N 0 3 295.339 1.522 20 5 CDBDHN CCC[C@@H](N)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000229925834 356313621 /nfs/dbraw/zinc/31/36/21/356313621.db2.gz QJRRWAHBGPAACE-LLVKDONJSA-N 0 3 261.285 1.975 20 5 CDBDHN C[C@H]1CCCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046861552 357149104 /nfs/dbraw/zinc/14/91/04/357149104.db2.gz QNPGAMOBCBVSGG-JTQLQIEISA-N 0 3 281.312 1.650 20 5 CDBDHN CCc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000331292084 357338673 /nfs/dbraw/zinc/33/86/73/357338673.db2.gz KVGBMIWDGDXAFX-BDAKNGLRSA-N 0 3 295.343 1.093 20 5 CDBDHN O=C1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282704683 357472184 /nfs/dbraw/zinc/47/21/84/357472184.db2.gz GFHQVFGMFIXJBC-CYBMUJFWSA-N 0 3 289.335 1.886 20 5 CDBDHN COc1cc(C[NH2+]CCCCO)c([N+](=O)[O-])cc1[O-] ZINC000193249668 358277302 /nfs/dbraw/zinc/27/73/02/358277302.db2.gz YFJRRGVUGJFSOW-UHFFFAOYSA-N 0 3 270.285 1.171 20 5 CDBDHN CNCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000193140391 358269446 /nfs/dbraw/zinc/26/94/46/358269446.db2.gz ZZIMXSZYMPRRLJ-UHFFFAOYSA-N 0 3 263.297 1.305 20 5 CDBDHN C[C@H](NCCOCCO)c1ccc([N+](=O)[O-])cc1 ZINC000037177161 363605301 /nfs/dbraw/zinc/60/53/01/363605301.db2.gz UGMQCRVFFXMDHP-JTQLQIEISA-N 0 3 254.286 1.254 20 5 CDBDHN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000361662664 358409848 /nfs/dbraw/zinc/40/98/48/358409848.db2.gz RBDZWIOATITVRA-CMPLNLGQSA-N 0 3 250.298 1.655 20 5 CDBDHN CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H]1N(C)C ZINC000332665161 358879800 /nfs/dbraw/zinc/87/98/00/358879800.db2.gz PPPBGFPXTZUZCG-WDEREUQCSA-N 0 3 298.368 1.041 20 5 CDBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC(C3CCCC3)C2)c1 ZINC000366507929 363629612 /nfs/dbraw/zinc/62/96/12/363629612.db2.gz WPJQEDQZKZEZDO-AWEZNQCLSA-N 0 3 294.355 1.274 20 5 CDBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@]1(O)CCOC1 ZINC000339054039 359278952 /nfs/dbraw/zinc/27/89/52/359278952.db2.gz HRQKPZAIOYPALK-PKXJPQMGSA-N 0 3 278.308 1.349 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H](CO)C2)cc1 ZINC000051887253 359949114 /nfs/dbraw/zinc/94/91/14/359949114.db2.gz SBJGWERMHRUBLF-GFCCVEGCSA-N 0 3 250.298 1.452 20 5 CDBDHN CCCCN(C)CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000112310437 360521604 /nfs/dbraw/zinc/52/16/04/360521604.db2.gz RJBCRZMXCVOARZ-UHFFFAOYSA-N 0 3 293.367 1.985 20 5 CDBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000037982639 361285895 /nfs/dbraw/zinc/28/58/95/361285895.db2.gz OPKVUVUUHJEKKR-LLVKDONJSA-N 0 3 284.337 1.119 20 5 CDBDHN O=C(c1csc([N+](=O)[O-])c1)N1CCCNCC1 ZINC000037993139 361389446 /nfs/dbraw/zinc/38/94/46/361389446.db2.gz TVARPZXGITWCKT-UHFFFAOYSA-N 0 3 255.299 1.092 20 5 CDBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 ZINC000582504431 364102230 /nfs/dbraw/zinc/10/22/30/364102230.db2.gz DNXICWKIBQSRIG-CYBMUJFWSA-N 0 3 278.312 1.091 20 5 CDBDHN COc1ccc(CN2CC[C@](C)(C(N)=O)C2)cc1[N+](=O)[O-] ZINC000280411599 364834360 /nfs/dbraw/zinc/83/43/60/364834360.db2.gz YNLMBMXUQWUQGF-AWEZNQCLSA-N 0 3 293.323 1.301 20 5 CDBDHN CCOC[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270954738 366946071 /nfs/dbraw/zinc/94/60/71/366946071.db2.gz YCNUKFLGVYFXSV-HNNXBMFYSA-N 0 3 294.351 1.957 20 5 CDBDHN C[C@@]1(F)CNCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000414772977 241379169 /nfs/dbraw/zinc/37/91/69/241379169.db2.gz VZXJCVOYEMXZGK-CYBMUJFWSA-N 0 3 267.304 1.728 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN[C@@H](C)C1 ZINC000420340190 244111996 /nfs/dbraw/zinc/11/19/96/244111996.db2.gz SCHLIXAPAWQFKX-NSHDSACASA-N 0 3 292.339 1.135 20 5 CDBDHN NC(=O)c1cccc([N+](=O)[O-])c1NCCN1CCCCC1 ZINC000420587066 244266175 /nfs/dbraw/zinc/26/61/75/244266175.db2.gz OVRUDYFWDAJYQX-UHFFFAOYSA-N 0 3 292.339 1.592 20 5 CDBDHN CCC[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037766540 370079480 /nfs/dbraw/zinc/07/94/80/370079480.db2.gz YXMFVAFOOVEBCS-BXKDBHETSA-N 0 3 265.313 1.899 20 5 CDBDHN COCCNCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000162242543 370597714 /nfs/dbraw/zinc/59/77/14/370597714.db2.gz MVWUBDMOHBSRDP-UHFFFAOYSA-N 0 3 295.339 1.182 20 5 CDBDHN CCN1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269678765 373711105 /nfs/dbraw/zinc/71/11/05/373711105.db2.gz QHBQSKIFJJAEEO-HNNXBMFYSA-N 0 3 293.367 1.656 20 5 CDBDHN O=C(C[C@H]1CSCCN1)NCc1ccc([N+](=O)[O-])cc1 ZINC000091135351 373747611 /nfs/dbraw/zinc/74/76/11/373747611.db2.gz LSTIUXJUBBXXRK-NSHDSACASA-N 0 3 295.364 1.306 20 5 CDBDHN Cc1ccc(S(=O)(=O)[N-]CC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000342491469 374258245 /nfs/dbraw/zinc/25/82/45/374258245.db2.gz CDGJQRLSTWFWMH-UHFFFAOYSA-N 0 3 299.352 1.063 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@@H]2CCC(=O)N2)cc1[N+](=O)[O-] ZINC000079927348 374430865 /nfs/dbraw/zinc/43/08/65/374430865.db2.gz FIWKJVAFEXEIFY-JQWIXIFHSA-N 0 3 277.324 1.832 20 5 CDBDHN C[C@H](CCN1CCOCC1)NCc1csc([N+](=O)[O-])c1 ZINC000124211537 374753351 /nfs/dbraw/zinc/75/33/51/374753351.db2.gz QPQARWIRTXYFJH-LLVKDONJSA-N 0 3 299.396 1.857 20 5 CDBDHN C[C@@H]1NCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000277543010 374794374 /nfs/dbraw/zinc/79/43/74/374794374.db2.gz XDFYYPHTWIGBMQ-BRQSLIGTSA-N 0 3 289.335 1.817 20 5 CDBDHN CC(C)c1ccc(CNC[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000330453485 374853532 /nfs/dbraw/zinc/85/35/32/374853532.db2.gz LOFVSDVAADVVOD-OAHLLOKOSA-N 0 3 294.351 1.959 20 5 CDBDHN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(C2CC2)C1 ZINC000331408767 374950379 /nfs/dbraw/zinc/95/03/79/374950379.db2.gz QWYKQXNTIARGEE-GFCCVEGCSA-N 0 3 289.335 1.490 20 5 CDBDHN CC[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N(C)C ZINC000332711809 375044512 /nfs/dbraw/zinc/04/45/12/375044512.db2.gz LKYTVEVSRVQGTM-ZDUSSCGKSA-N 0 3 292.339 1.215 20 5 CDBDHN NC(=O)[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283005986 375109160 /nfs/dbraw/zinc/10/91/60/375109160.db2.gz FZXFQZMFHGSYLR-JQWIXIFHSA-N 0 3 295.314 1.868 20 5 CDBDHN COCCN(C)CCN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943516 375439570 /nfs/dbraw/zinc/43/95/70/375439570.db2.gz YWAXBDQNQAYKRQ-NSHDSACASA-N 0 3 296.371 1.406 20 5 CDBDHN CN(Cc1ccccc1[N+](=O)[O-])C1(CCO)CCOCC1 ZINC000352996403 375563133 /nfs/dbraw/zinc/56/31/33/375563133.db2.gz GTYMKQJIIYBRMQ-UHFFFAOYSA-N 0 3 294.351 1.958 20 5 CDBDHN CN(C)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000356872768 375866160 /nfs/dbraw/zinc/86/61/60/375866160.db2.gz JVPHHCUQAOUKTJ-UHFFFAOYSA-N 0 3 291.351 1.690 20 5 CDBDHN COC[C@H](CCO)NCc1cccc([N+](=O)[O-])c1 ZINC000219134893 375954262 /nfs/dbraw/zinc/95/42/62/375954262.db2.gz JDDRZLJJRXKKKH-NSHDSACASA-N 0 3 254.286 1.082 20 5 CDBDHN Cc1c([C@H](C)NC[C@H](O)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000358047825 375949092 /nfs/dbraw/zinc/94/90/92/375949092.db2.gz OIUXYSXWXFPFTK-HUBLWGQQSA-N 0 3 294.351 1.951 20 5 CDBDHN CN1CC=C(CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347413908 376102022 /nfs/dbraw/zinc/10/20/22/376102022.db2.gz LKBBHYRNPOMZPJ-UHFFFAOYSA-N 0 3 299.334 1.634 20 5 CDBDHN CC[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)NC ZINC000449779601 251016343 /nfs/dbraw/zinc/01/63/43/251016343.db2.gz UFQZOPROEMBXPW-JQWIXIFHSA-N 0 3 279.340 1.640 20 5 CDBDHN CNC(=O)[C@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000492482098 253229602 /nfs/dbraw/zinc/22/96/02/253229602.db2.gz FZPOCIVGFGANAD-HUYFXPKMSA-N 0 3 277.324 1.722 20 5 CDBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000411266822 390966243 /nfs/dbraw/zinc/96/62/43/390966243.db2.gz BBOKDRDFGVVQMK-CYBMUJFWSA-N 0 3 293.323 1.644 20 5 CDBDHN COC(=O)[C@@]1(C)CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000412074926 391111385 /nfs/dbraw/zinc/11/13/85/391111385.db2.gz RLLNZSZAKURIOW-ZDUSSCGKSA-N 0 3 296.327 1.066 20 5 CDBDHN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000518736679 391219101 /nfs/dbraw/zinc/21/91/01/391219101.db2.gz YUKQABMWDIZFDA-UHFFFAOYSA-N 0 3 280.328 1.147 20 5 CDBDHN CCN(C)C[C@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000519834209 391226109 /nfs/dbraw/zinc/22/61/09/391226109.db2.gz IZICHZUEUWAZPW-JTQLQIEISA-N 0 3 284.312 1.295 20 5 CDBDHN CN(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000416287495 391251944 /nfs/dbraw/zinc/25/19/44/391251944.db2.gz DOZPZFQHCMSSPX-UHFFFAOYSA-N 0 3 263.297 1.419 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CNCCC1(F)F ZINC000415009378 391714831 /nfs/dbraw/zinc/71/48/31/391714831.db2.gz XFDCKZJPKVIBQS-GFCCVEGCSA-N 0 3 285.294 1.990 20 5 CDBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ncc([N+](=O)[O-])s1 ZINC000190333799 130091034 /nfs/dbraw/zinc/09/10/34/130091034.db2.gz WYGVPARGQQQKDT-IUCAKERBSA-N 0 3 270.358 1.828 20 5 CDBDHN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000191724383 130287634 /nfs/dbraw/zinc/28/76/34/130287634.db2.gz RBDZWIOATITVRA-PWSUYJOCSA-N 0 3 250.298 1.655 20 5 CDBDHN C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1 ZINC000237602594 131046074 /nfs/dbraw/zinc/04/60/74/131046074.db2.gz OGSYFCLPSJABMS-QWRGUYRKSA-N 0 3 293.323 1.182 20 5 CDBDHN Cc1sc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1[N+](=O)[O-] ZINC000237640019 131049738 /nfs/dbraw/zinc/04/97/38/131049738.db2.gz CITPOSUKBVYRIR-JGVFFNPUSA-N 0 3 283.353 1.787 20 5 CDBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000524721025 392919163 /nfs/dbraw/zinc/91/91/63/392919163.db2.gz ZIMBJJHYLYPATA-JTQLQIEISA-N 0 3 280.328 1.005 20 5 CDBDHN Cc1c(CNC(=O)C(C)(C)N)cccc1[N+](=O)[O-] ZINC000231857069 140219851 /nfs/dbraw/zinc/21/98/51/140219851.db2.gz HWBRUCICMYABST-UHFFFAOYSA-N 0 3 251.286 1.257 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000346128777 153062996 /nfs/dbraw/zinc/06/29/96/153062996.db2.gz DYERTSLEAZLBGA-LLVKDONJSA-N 0 3 279.340 1.594 20 5 CDBDHN CC(C)(C)[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676222 174373654 /nfs/dbraw/zinc/37/36/54/174373654.db2.gz FZQNBBSUUNYKOE-GFCCVEGCSA-N 0 3 279.340 1.627 20 5 CDBDHN CCN(C)C(=O)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000040676062 174373677 /nfs/dbraw/zinc/37/36/77/174373677.db2.gz OFPYVAIKQGGAMX-UHFFFAOYSA-N 0 3 265.313 1.205 20 5 CDBDHN CNc1ccc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-] ZINC000049933511 424460737 /nfs/dbraw/zinc/46/07/37/424460737.db2.gz FWHLHMCNYGPHSK-UHFFFAOYSA-N 0 3 292.339 1.462 20 5 CDBDHN C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCN1 ZINC000261585657 274371465 /nfs/dbraw/zinc/37/14/65/274371465.db2.gz IMQUAVRWZXUAEB-SSDOTTSWSA-N 0 3 279.325 1.398 20 5 CDBDHN COC(=O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177231 277319415 /nfs/dbraw/zinc/31/94/15/277319415.db2.gz PAWMCNMINVVHGB-VIFPVBQESA-N 0 3 252.270 1.809 20 5 CDBDHN C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000248940414 280396059 /nfs/dbraw/zinc/39/60/59/280396059.db2.gz NYGPFWHICODVBC-GHMZBOCLSA-N 0 3 268.313 1.158 20 5 CDBDHN C[C@@H]1CC[C@@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562488171 290531883 /nfs/dbraw/zinc/53/18/83/290531883.db2.gz OTNPTFFCRBKHBL-MFKMUULPSA-N 0 3 298.364 1.757 20 5 CDBDHN CC(C)Oc1nc(NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000564471275 293363326 /nfs/dbraw/zinc/36/33/26/293363326.db2.gz VUMYEVNECPRSJH-LLVKDONJSA-N 0 3 294.355 1.705 20 5 CDBDHN CC[C@@H](COC)NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000568883758 294120167 /nfs/dbraw/zinc/12/01/67/294120167.db2.gz SVANKCWYYCLUQS-JTQLQIEISA-N 0 3 284.312 1.824 20 5 CDBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H]1CCC[C@H]1F ZINC000574750591 295048157 /nfs/dbraw/zinc/04/81/57/295048157.db2.gz ZBXSISHQJAUSOK-TUAOUCFPSA-N 0 3 298.314 1.815 20 5 CDBDHN COC[C@@H](O)CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000338479875 522417469 /nfs/dbraw/zinc/41/74/69/522417469.db2.gz YNXZAHNUPRSIPL-KGBIHWOQSA-N 0 3 280.324 1.595 20 5 CDBDHN C[C@H]1CCC[C@@H](CO)N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000181383924 524140855 /nfs/dbraw/zinc/14/08/55/524140855.db2.gz LOHWALSBRKXTRD-CQDKDKBSSA-N 0 3 294.351 1.864 20 5 CDBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@@H]1N ZINC000424098044 535093644 /nfs/dbraw/zinc/09/36/44/535093644.db2.gz BPLSUTJFUGKFQI-OLZOCXBDSA-N 0 3 277.324 1.679 20 5 CDBDHN C[NH+]1CCC(O[N-]C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000773549010 575823843 /nfs/dbraw/zinc/82/38/43/575823843.db2.gz GKAZLCAUSDNTOH-UHFFFAOYSA-N 0 3 293.323 1.279 20 5 CDBDHN C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826073353 607838061 /nfs/dbraw/zinc/83/80/61/607838061.db2.gz PDBXLFMGIZSTIV-UHFFFAOYSA-N 0 3 291.315 1.185 20 5 CDBDHN C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826073353 607838062 /nfs/dbraw/zinc/83/80/62/607838062.db2.gz PDBXLFMGIZSTIV-UHFFFAOYSA-N 0 3 291.315 1.185 20 5 CDBDHN CSc1ncc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000813108882 617345542 /nfs/dbraw/zinc/34/55/42/617345542.db2.gz MIRVNFIUZLMCAB-YFKPBYRVSA-N 0 3 291.716 1.674 20 5 CDBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000892648290 617559723 /nfs/dbraw/zinc/55/97/23/617559723.db2.gz HTQXASYHETVGDJ-SNVBAGLBSA-N 0 3 296.323 1.825 20 5 CDBDHN CCO[C@H]1C[C@@H](NCc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000894846651 619095775 /nfs/dbraw/zinc/09/57/75/619095775.db2.gz UAAOTIFJXSQPOO-PHIMTYICSA-N 0 3 296.323 1.966 20 5 CDBDHN CC(C)(C)OC(=O)NC(C)(C)CNCC[N+](=O)[O-] ZINC000905146938 626658304 /nfs/dbraw/zinc/65/83/04/626658304.db2.gz UBOFGUMTTHDEAK-UHFFFAOYSA-N 0 3 261.322 1.156 20 5 CDBDHN CC[C@@H](CO)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000915875426 631849082 /nfs/dbraw/zinc/84/90/82/631849082.db2.gz JKSYYKXNRAUDSY-ZJUUUORDSA-N 0 3 281.312 1.282 20 5 CDBDHN CN1CC(CNc2ccc3c([N+](=O)[O-])c[nH]c3n2)C1 ZINC001170253287 1162325843 /nfs/dbraw/zinc/32/58/43/1162325843.db2.gz XHDHOURCUBIYQN-UHFFFAOYSA-N 0 3 261.285 1.445 20 5 CDBDHN COc1ccc(C[C@@H](C)N2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 ZINC001170335707 1162339010 /nfs/dbraw/zinc/33/90/10/1162339010.db2.gz QMDZUWJQSYVCOT-ABAIWWIYSA-N 0 3 294.351 1.991 20 5 CDBDHN C[C@H](N)c1ccn(-c2ncc([N+](=O)[O-])cc2F)n1 ZINC001158348642 1162892156 /nfs/dbraw/zinc/89/21/56/1162892156.db2.gz JGOXXOXGEHZAHL-LURJTMIESA-N 0 3 251.221 1.334 20 5 CDBDHN CC(COC(=O)c1ccc(N2CCNC2=O)cc1)[N+](=O)[O-] ZINC000813105445 1163812605 /nfs/dbraw/zinc/81/26/05/1163812605.db2.gz ZLFJPCNKAABLMU-VIFPVBQESA-N 0 3 293.279 1.038 20 5 CDBDHN CC(COC(=O)c1cccc2[nH]c(=O)oc21)[N+](=O)[O-] ZINC000813112257 1163816029 /nfs/dbraw/zinc/81/60/29/1163816029.db2.gz FAKOWMZIVVYONV-ZCFIWIBFSA-N 0 3 266.209 1.355 20 5 CDBDHN O=[N+]([O-])c1ccc(Cn2cc(CNCC3CC3)nn2)cc1 ZINC000162002100 1179122083 /nfs/dbraw/zinc/12/20/83/1179122083.db2.gz KYTZRQLLNJXFIZ-UHFFFAOYSA-N 0 3 287.323 1.734 20 5 CDBDHN CC(COC(=O)CCNC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000813106876 1163814243 /nfs/dbraw/zinc/81/42/43/1163814243.db2.gz HDCDUXRUHPJXMV-SECBINFHSA-N 0 3 298.270 1.154 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1NCCN(C)CCOCCO ZINC000882951507 711945534 /nfs/dbraw/zinc/94/55/34/711945534.db2.gz IKUCHRBENABGNI-UHFFFAOYSA-N 0 3 297.355 1.256 20 5 CDBDHN CC(COC(=O)c1cnn(-c2ccccc2F)c1)[N+](=O)[O-] ZINC000813101929 712057612 /nfs/dbraw/zinc/05/76/12/712057612.db2.gz LNMONRITPDZVHF-SECBINFHSA-N 0 3 293.254 1.833 20 5 CDBDHN Cc1c(CNC[C@@H]2COCCO2)cccc1[N+](=O)[O-] ZINC000037999912 712479853 /nfs/dbraw/zinc/47/98/53/712479853.db2.gz ZTFGJGFRXTTYKM-GFCCVEGCSA-N 0 3 266.297 1.408 20 5 CDBDHN Cc1ccn(C[C@@H](C)C(=O)OCC(C)[N+](=O)[O-])n1 ZINC000870378897 712533671 /nfs/dbraw/zinc/53/36/71/712533671.db2.gz ZZSAZHJWSAMVNB-PSASIEDQSA-N 0 3 255.274 1.036 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H](O)C1 ZINC001173223357 912310582 /nfs/dbraw/zinc/31/05/82/912310582.db2.gz ZMHFIDZPOKGFJE-BXUZGUMPSA-N 0 3 280.324 1.219 20 5 CDBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(N(C)C)C1 ZINC001173224395 912310800 /nfs/dbraw/zinc/31/08/00/912310800.db2.gz FJBUFRKNOYXZAE-LLVKDONJSA-N 0 3 263.341 1.772 20 5 CDBDHN CN(C)c1ccc(-n2cnc(CN)c2)c([N+](=O)[O-])c1 ZINC001162304665 922242097 /nfs/dbraw/zinc/24/20/97/922242097.db2.gz WYBMHPNYXCMOFV-UHFFFAOYSA-N 0 3 261.285 1.305 20 5 CDBDHN CC(=O)NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001086288758 926944389 /nfs/dbraw/zinc/94/43/89/926944389.db2.gz JKBWUOVMQZKACR-AULYBMBSSA-N 0 3 277.324 1.599 20 5 CDBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3cnccn3)CC2)C1 ZINC001169005764 927607502 /nfs/dbraw/zinc/60/75/02/927607502.db2.gz CWSPFGLCYOMHBO-CHWSQXEVSA-N 0 3 291.355 1.044 20 5 CDBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(CCO)CC2)cc1 ZINC000776581955 927758020 /nfs/dbraw/zinc/75/80/20/927758020.db2.gz JUAKNWAPSXKWJZ-HNNXBMFYSA-N 0 3 294.351 1.723 20 5 CDBDHN COc1cc([N+](=O)[O-])cnc1-n1ccc([C@@H](C)N)n1 ZINC001169228004 927826976 /nfs/dbraw/zinc/82/69/76/927826976.db2.gz KCMDTMYNRXRLKT-SSDOTTSWSA-N 0 3 263.257 1.204 20 5 CDBDHN C[C@@H](N)c1ccn(-c2cnc(Cl)cc2[N+](=O)[O-])n1 ZINC001169230587 927838100 /nfs/dbraw/zinc/83/81/00/927838100.db2.gz TTYRMMIUVHTTDL-ZCFIWIBFSA-N 0 3 267.676 1.849 20 5 CDBDHN COc1cccc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001169232683 927845930 /nfs/dbraw/zinc/84/59/30/927845930.db2.gz IKPBJJWIAUEEHU-QMMMGPOBSA-N 0 3 262.269 1.809 20 5 CDBDHN C[C@@H]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000856795751 928629842 /nfs/dbraw/zinc/62/98/42/928629842.db2.gz IVKRKZQNOHWEDN-UXIGCNINSA-N 0 3 294.351 1.579 20 5 CDBDHN CN1CC(CNc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001159219000 929823465 /nfs/dbraw/zinc/82/34/65/929823465.db2.gz VIXTTWUIRVWLMB-UHFFFAOYSA-N 0 3 273.296 1.512 20 5 CDBDHN C[C@H]1CSC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886202761 930825100 /nfs/dbraw/zinc/82/51/00/930825100.db2.gz DOYJVOUKCZAKRJ-WCBMZHEXSA-N 0 3 253.327 1.831 20 5 CDBDHN C[C@@H](CCO)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000844449989 931607349 /nfs/dbraw/zinc/60/73/49/931607349.db2.gz NMPXGQWPZPISPA-VIFPVBQESA-N 0 3 256.277 1.937 20 5 CDBDHN O=C(NCCN1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000040801345 934181006 /nfs/dbraw/zinc/18/10/06/934181006.db2.gz QXLZOMTVIOMPIZ-UHFFFAOYSA-N 0 3 281.287 1.560 20 5 CDBDHN Cc1nc(NCCN2CCC(C)(C)C2)ncc1[N+](=O)[O-] ZINC001120069861 937778623 /nfs/dbraw/zinc/77/86/23/937778623.db2.gz AYWQFZKUNMFISU-UHFFFAOYSA-N 0 3 279.344 1.837 20 5 CDBDHN COc1ccc(CC(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC001122949782 936087533 /nfs/dbraw/zinc/08/75/33/936087533.db2.gz BZCMQYKDTJIWRQ-JTQLQIEISA-N 0 3 267.281 1.755 20 5 CDBDHN CCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001123666459 936197973 /nfs/dbraw/zinc/19/79/73/936197973.db2.gz KKWGPSXLWNEQDM-UHFFFAOYSA-N 0 3 279.340 1.991 20 5 CDBDHN CN1CCN(C(=N)Nc2cc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001157914795 938561743 /nfs/dbraw/zinc/56/17/43/938561743.db2.gz KGOPMWKNDJFSCE-UHFFFAOYSA-N 0 3 298.734 1.237 20 5 CDBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(OC)n2)C(C)(C)C1 ZINC001158563045 938636877 /nfs/dbraw/zinc/63/68/77/938636877.db2.gz TXSPYEARQUBNSB-UHFFFAOYSA-N 0 3 294.355 1.919 20 5 CDBDHN C[C@@H](Nc1ccc2[nH]cc([N+](=O)[O-])c2n1)[C@H]1CNCCO1 ZINC001159498221 938734152 /nfs/dbraw/zinc/73/41/52/938734152.db2.gz KPUCOOCPNMKFPA-LDYMZIIASA-N 0 3 291.311 1.260 20 5 CDBDHN NCc1cn(-c2cc3cccnc3c([N+](=O)[O-])c2)cn1 ZINC001162304681 938976573 /nfs/dbraw/zinc/97/65/73/938976573.db2.gz XKHNUHQYUWPYNE-UHFFFAOYSA-N 0 3 269.264 1.787 20 5 CDBDHN NCc1ccnn1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001162593779 939098071 /nfs/dbraw/zinc/09/80/71/939098071.db2.gz PLMHVYCGJZCYAY-UHFFFAOYSA-N 0 3 257.253 1.721 20 5 CDBDHN O=[N+]([O-])c1cccc2ncnc(-n3cnc4c3CNCC4)c21 ZINC001164316682 939453315 /nfs/dbraw/zinc/45/33/15/939453315.db2.gz FILQXFJKHILLED-UHFFFAOYSA-N 0 3 296.290 1.369 20 5 CDBDHN C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C2 ZINC001225661782 941895669 /nfs/dbraw/zinc/89/56/69/941895669.db2.gz PDRAVSVUFMARQK-ILWJIGKKSA-N 0 3 279.296 1.699 20 5 CDBDHN C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C2 ZINC001225661782 941895673 /nfs/dbraw/zinc/89/56/73/941895673.db2.gz PDRAVSVUFMARQK-ILWJIGKKSA-N 0 3 279.296 1.699 20 5 CDBDHN O=[N+]([O-])c1cnc(OC2CCN(C3CC3)CC2)nc1 ZINC001226731876 942058328 /nfs/dbraw/zinc/05/83/28/942058328.db2.gz QVGWNUNOEMRGIE-UHFFFAOYSA-N 0 3 264.285 1.390 20 5 CDBDHN CC(C)N1CC[C@H](Oc2cnccc2[N+](=O)[O-])C1 ZINC001228879951 942387477 /nfs/dbraw/zinc/38/74/77/942387477.db2.gz MWJLWKTUCFSWIF-JTQLQIEISA-N 0 3 251.286 1.851 20 5 CDBDHN C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231075636 942776950 /nfs/dbraw/zinc/77/69/50/942776950.db2.gz DDZKJMWAYDNOAZ-JTQLQIEISA-N 0 3 262.337 1.340 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN2CC[C@H]2C1 ZINC001254568502 947529737 /nfs/dbraw/zinc/52/97/37/947529737.db2.gz GJLARHLDAYNHSZ-OCCSQVGLSA-N 0 3 275.352 1.916 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H](CO)c1ccncc1)C2 ZINC001254580568 947537887 /nfs/dbraw/zinc/53/78/87/947537887.db2.gz GNNAVAUMYNWPEM-HOCLYGCPSA-N 0 3 299.330 1.780 20 5 CDBDHN CN(C)C1(C)CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604278 947553071 /nfs/dbraw/zinc/55/30/71/947553071.db2.gz UIQIYPTXACQBIT-CQSZACIVSA-N 0 3 275.352 1.698 20 5 CDBDHN CCN1C[C@@H]2C[C@H]1CN2[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610223 947555871 /nfs/dbraw/zinc/55/58/71/947555871.db2.gz JLKBRCDSMJXYQU-JYJNAYRXSA-N 0 3 287.363 1.840 20 5 CDBDHN Cn1cc([N+](=O)[O-])c(N2CCC23CCN(C)CC3)n1 ZINC001307232124 956383093 /nfs/dbraw/zinc/38/30/93/956383093.db2.gz WXGPYTCRZMNGCH-UHFFFAOYSA-N 0 3 265.317 1.003 20 5 CDBDHN COc1ccc(NC(=O)CNC(C)C)cc1[N+](=O)[O-] ZINC000136477452 342071473 /nfs/dbraw/zinc/07/14/73/342071473.db2.gz PKKOZFGOVUUASV-UHFFFAOYSA-N 0 3 267.285 1.540 20 5 CDBDHN C[C@H](N[C@@H](CO)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000593719401 342828823 /nfs/dbraw/zinc/82/88/23/342828823.db2.gz XMYVEEWEYRXGQC-GXSJLCMTSA-N 0 3 256.277 1.966 20 5 CDBDHN C[C@H](CC[S@@](C)=O)NCc1ccccc1[N+](=O)[O-] ZINC000125499138 187187722 /nfs/dbraw/zinc/18/77/22/187187722.db2.gz XMDVWCPTQKOODQ-MGNBDDOMSA-N 0 3 270.354 1.842 20 5 CDBDHN CO[C@@H](CN)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290011629 361971420 /nfs/dbraw/zinc/97/14/20/361971420.db2.gz QGNLKLCDRSENPJ-CABZTGNLSA-N 0 3 281.312 1.054 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@H]2CCCN3CCCC[C@H]23)nc1 ZINC000594600457 342929842 /nfs/dbraw/zinc/92/98/42/342929842.db2.gz LIWFZFLZYRDBSJ-NWDGAFQWSA-N 0 3 277.328 1.814 20 5 CDBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](O)C2)cc1 ZINC000055897518 349702119 /nfs/dbraw/zinc/70/21/19/349702119.db2.gz IWATYIQITLFUIQ-CYBMUJFWSA-N 0 3 280.324 1.820 20 5 CDBDHN Cc1noc(CN2CC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000595305746 343031166 /nfs/dbraw/zinc/03/11/66/343031166.db2.gz JVRSMAIZNFBPSM-NSHDSACASA-N 0 3 280.328 1.561 20 5 CDBDHN CN(C)C[C@@H](CO)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000596242345 343285015 /nfs/dbraw/zinc/28/50/15/343285015.db2.gz FAFXERGWRSAPMY-JTQLQIEISA-N 0 3 290.323 1.477 20 5 CDBDHN CC[C@@H](C)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596259200 343277551 /nfs/dbraw/zinc/27/75/51/343277551.db2.gz UOSFHFPKEDVOKB-SNVBAGLBSA-N 0 3 280.328 1.616 20 5 CDBDHN CN(CCCN1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000091483124 342404548 /nfs/dbraw/zinc/40/45/48/342404548.db2.gz SQQXEVHFDDKYPC-UHFFFAOYSA-N 0 3 292.383 1.669 20 5 CDBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCNc1cnccn1 ZINC000573815339 362187213 /nfs/dbraw/zinc/18/72/13/362187213.db2.gz OUNYEYQHQDOEAK-CYBMUJFWSA-N 0 3 299.334 1.496 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCN(CCCO)C2)cc1 ZINC000295047074 199318402 /nfs/dbraw/zinc/31/84/02/199318402.db2.gz FMSSAMFGXIOTIF-AWEZNQCLSA-N 0 3 293.367 1.531 20 5 CDBDHN Cc1nc(N(CCN(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000295082205 199335874 /nfs/dbraw/zinc/33/58/74/199335874.db2.gz RJIMNZUVEVSXAA-UHFFFAOYSA-N 0 3 267.333 1.470 20 5 CDBDHN CC(C)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CCN1 ZINC000598571154 343832185 /nfs/dbraw/zinc/83/21/85/343832185.db2.gz HAPWLNCYRIPEPR-ZDUSSCGKSA-N 0 3 295.314 1.804 20 5 CDBDHN COC[C@@H](O)CCNCc1cccc([N+](=O)[O-])c1 ZINC000231604227 362329023 /nfs/dbraw/zinc/32/90/23/362329023.db2.gz CLZOAXXMPIDAHH-LBPRGKRZSA-N 0 3 254.286 1.082 20 5 CDBDHN CCN[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000600003492 344163615 /nfs/dbraw/zinc/16/36/15/344163615.db2.gz YMLDKWJIOGTOFG-SECBINFHSA-N 0 3 251.286 1.840 20 5 CDBDHN CCN[C@@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000602444297 344431153 /nfs/dbraw/zinc/43/11/53/344431153.db2.gz FNGTYQIYGBIFFX-VIFPVBQESA-N 0 3 281.312 1.218 20 5 CDBDHN CC[C@@H]1CN(C)CCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602832531 344614865 /nfs/dbraw/zinc/61/48/65/344614865.db2.gz OZJPJAKQAVRAFZ-GFCCVEGCSA-N 0 3 281.360 1.126 20 5 CDBDHN COC[C@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602836875 344619109 /nfs/dbraw/zinc/61/91/09/344619109.db2.gz HVQKMQHXCNQIFI-GFCCVEGCSA-N 0 3 282.344 1.601 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCSC[C@H]1C1CC1 ZINC000602839193 344620676 /nfs/dbraw/zinc/62/06/76/344620676.db2.gz IYUXJKRIGFBHGT-LBPRGKRZSA-N 0 3 296.396 1.927 20 5 CDBDHN CC[C@@](C)(N)c1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1 ZINC000603203292 344734711 /nfs/dbraw/zinc/73/47/11/344734711.db2.gz NDKMCLHFUIMHKL-CYBMUJFWSA-N 0 3 293.302 1.958 20 5 CDBDHN NC(=O)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000603846111 344837917 /nfs/dbraw/zinc/83/79/17/344837917.db2.gz QAXGTVADPMMROV-LBPRGKRZSA-N 0 3 277.324 1.335 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC[C@H](C)O ZINC000304114032 344897407 /nfs/dbraw/zinc/89/74/07/344897407.db2.gz HHAVLNGEAXCKKD-JTQLQIEISA-N 0 3 268.313 1.854 20 5 CDBDHN CCOC(=O)c1cc(N2CC(N(C)C)C2)ccc1[N+](=O)[O-] ZINC000273284665 192100016 /nfs/dbraw/zinc/10/00/16/192100016.db2.gz JKKSPGADWZFPBN-UHFFFAOYSA-N 0 3 293.323 1.522 20 5 CDBDHN O=[N+]([O-])c1ccn(C2CCN([C@H]3CCCOC3)CC2)n1 ZINC000618759064 347300543 /nfs/dbraw/zinc/30/05/43/347300543.db2.gz BHTZPJXEGDGGQN-LBPRGKRZSA-N 0 3 280.328 1.607 20 5 CDBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000066923917 347546479 /nfs/dbraw/zinc/54/64/79/347546479.db2.gz XEYGTMRSKHCUCR-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN CCN1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000045059334 348768789 /nfs/dbraw/zinc/76/87/89/348768789.db2.gz SKRMUDIIKSOHJP-UHFFFAOYSA-N 0 3 283.353 1.870 20 5 CDBDHN CN(CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000058857618 348872086 /nfs/dbraw/zinc/87/20/86/348872086.db2.gz AUXDAZRNRLUOIX-RUDMXATFSA-N 0 3 289.335 1.818 20 5 CDBDHN CC(C)N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000068916223 349084054 /nfs/dbraw/zinc/08/40/54/349084054.db2.gz AMBOLHMVTADKSO-UHFFFAOYSA-N 0 3 264.329 1.910 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CNCCO1 ZINC000091300080 180126681 /nfs/dbraw/zinc/12/66/81/180126681.db2.gz HOYZYCVSABZPKW-LLVKDONJSA-N 0 3 279.296 1.220 20 5 CDBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cn[nH]c1 ZINC000619847275 350862517 /nfs/dbraw/zinc/86/25/17/350862517.db2.gz LVDRYUMJLWTGJC-UHFFFAOYSA-N 0 3 260.297 1.992 20 5 CDBDHN CNC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000111263825 186381961 /nfs/dbraw/zinc/38/19/61/186381961.db2.gz HSAILVNCYLCZPT-LBPRGKRZSA-N 0 3 277.324 1.553 20 5 CDBDHN O=[N+]([O-])c1ccccc1CNCCCn1cccn1 ZINC000134479846 356322000 /nfs/dbraw/zinc/32/20/00/356322000.db2.gz XVJPUYAVWZSZOC-UHFFFAOYSA-N 0 3 260.297 1.971 20 5 CDBDHN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCNCC1 ZINC000043570355 356751786 /nfs/dbraw/zinc/75/17/86/356751786.db2.gz WYLUDKYGUWZTMO-UHFFFAOYSA-N 0 3 267.260 1.169 20 5 CDBDHN C[C@@H]1NCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000379494215 357164595 /nfs/dbraw/zinc/16/45/95/357164595.db2.gz MTLSXKKEVVAVDV-MVSYMCDOSA-N 0 3 289.335 1.817 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H]1C ZINC000379469199 357122785 /nfs/dbraw/zinc/12/27/85/357122785.db2.gz NTHXUZSGUNWDLD-BDAKNGLRSA-N 0 3 281.287 1.556 20 5 CDBDHN CCc1nn(C)c(NC[C@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000091561879 357718911 /nfs/dbraw/zinc/71/89/11/357718911.db2.gz DHTPIOVYXDSSIS-SNVBAGLBSA-N 0 3 281.360 1.644 20 5 CDBDHN CCN(C)C(=O)CN[C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186811421 357694906 /nfs/dbraw/zinc/69/49/06/357694906.db2.gz QHQLLBFQJYCSCH-GFCCVEGCSA-N 0 3 293.367 1.984 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1N(C)[C@H]1CCCN(C)C1 ZINC000360984219 357764025 /nfs/dbraw/zinc/76/40/25/357764025.db2.gz INTLHASKURTKFE-NSHDSACASA-N 0 3 281.360 1.650 20 5 CDBDHN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000286893929 358024806 /nfs/dbraw/zinc/02/48/06/358024806.db2.gz GLXYVNBEMXQKGN-JTQLQIEISA-N 0 3 295.339 1.673 20 5 CDBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[C@@H](CO)C1 ZINC000361658707 358408339 /nfs/dbraw/zinc/40/83/39/358408339.db2.gz GHIKOVGPLZZBOO-WCQYABFASA-N 0 3 264.325 1.963 20 5 CDBDHN O=[N+]([O-])c1ccc(CCN2CCC(OCCO)CC2)cc1 ZINC000135388408 358401906 /nfs/dbraw/zinc/40/19/06/358401906.db2.gz PJGPCMYRGODQPH-UHFFFAOYSA-N 0 3 294.351 1.611 20 5 CDBDHN COc1ccc(CN[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000294934138 199258143 /nfs/dbraw/zinc/25/81/43/199258143.db2.gz UROFIIHRBVTJRP-AOOOYVTPSA-N 0 3 252.270 1.216 20 5 CDBDHN C[C@H](NC(=O)N(C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176241450 358746051 /nfs/dbraw/zinc/74/60/51/358746051.db2.gz GAWMNLKAQAFBDC-NSHDSACASA-N 0 3 294.355 1.859 20 5 CDBDHN CC1(C)[C@@H]2CN(CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000176263568 358765829 /nfs/dbraw/zinc/76/58/29/358765829.db2.gz CMAOZAUFKAEFOT-AOOOYVTPSA-N 0 3 250.302 1.379 20 5 CDBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000351756690 358961612 /nfs/dbraw/zinc/96/16/12/358961612.db2.gz LLQLJMKJVBVCJF-MFKMUULPSA-N 0 3 250.298 1.450 20 5 CDBDHN CN(C[C@@H]1CCCN(C)C1)c1ncccc1[N+](=O)[O-] ZINC000265218309 359004076 /nfs/dbraw/zinc/00/40/76/359004076.db2.gz NUMUHFQCNHGEAF-LLVKDONJSA-N 0 3 264.329 1.768 20 5 CDBDHN CCC[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000353085599 359143103 /nfs/dbraw/zinc/14/31/03/359143103.db2.gz HZDRBPMRRLPVEP-LBPRGKRZSA-N 0 3 280.328 1.250 20 5 CDBDHN Cc1nccn1CCNCc1ccccc1[N+](=O)[O-] ZINC000050015688 359276084 /nfs/dbraw/zinc/27/60/84/359276084.db2.gz RIDQYUZINSCMPV-UHFFFAOYSA-N 0 3 260.297 1.890 20 5 CDBDHN CC(C)[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000177942359 189080561 /nfs/dbraw/zinc/08/05/61/189080561.db2.gz BFJZHFPSSYDDIP-LBPRGKRZSA-N 0 3 280.328 1.106 20 5 CDBDHN CCn1c(C)nc([N+](=O)[O-])c1NCC1=CCN(C)CC1 ZINC000289759635 360945560 /nfs/dbraw/zinc/94/55/60/360945560.db2.gz VLFPIODIVUFDNT-UHFFFAOYSA-N 0 3 279.344 1.793 20 5 CDBDHN C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)N1C ZINC000293436914 239278923 /nfs/dbraw/zinc/27/89/23/239278923.db2.gz OHQTXABUGAYGDA-ZOWXZIJZSA-N 0 3 293.367 1.653 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000168686623 370795318 /nfs/dbraw/zinc/79/53/18/370795318.db2.gz WJJTTZODTVYFGO-QMMMGPOBSA-N 0 3 285.731 1.928 20 5 CDBDHN CNC(=O)CCN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282550714 367938270 /nfs/dbraw/zinc/93/82/70/367938270.db2.gz XDNHKGKKXDHYNI-UHFFFAOYSA-N 0 3 265.313 1.205 20 5 CDBDHN Cc1nn(C)c(N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000420633458 244300021 /nfs/dbraw/zinc/30/00/21/244300021.db2.gz JEKKEBTXJLLTJF-SNVBAGLBSA-N 0 3 267.333 1.167 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCN1C ZINC000330892795 203361190 /nfs/dbraw/zinc/36/11/90/203361190.db2.gz DHIBQFVPSIJDHX-RKDXNWHRSA-N 0 3 267.285 1.400 20 5 CDBDHN CN(C)[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000170865501 369979513 /nfs/dbraw/zinc/97/95/13/369979513.db2.gz OEMRZMHWTPYCIJ-VIFPVBQESA-N 0 3 269.326 1.432 20 5 CDBDHN CSCC[C@@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000130963095 374275788 /nfs/dbraw/zinc/27/57/88/374275788.db2.gz WRCIPZFWNQRAGJ-BXKDBHETSA-N 0 3 297.380 1.852 20 5 CDBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@](O)(C2CC2)C1 ZINC000376467970 374559825 /nfs/dbraw/zinc/55/98/25/374559825.db2.gz ICYOAUHQUXVRAO-OAHLLOKOSA-N 0 3 292.335 1.820 20 5 CDBDHN Cn1cnc([N+](=O)[O-])c1CN[C@@H]1CCCC12CCOCC2 ZINC000376740496 374569030 /nfs/dbraw/zinc/56/90/30/374569030.db2.gz VRRZZDDBPWCKIZ-GFCCVEGCSA-N 0 3 294.355 1.767 20 5 CDBDHN COCCOC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296221386 374680228 /nfs/dbraw/zinc/68/02/28/374680228.db2.gz GUJDDVQNBDLYEQ-RISCZKNCSA-N 0 3 298.339 1.269 20 5 CDBDHN CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330996100 374879705 /nfs/dbraw/zinc/87/97/05/374879705.db2.gz MEXMYWJJLKDBRE-UHFFFAOYSA-N 0 3 252.318 1.913 20 5 CDBDHN CNC(=O)[C@@H]1CCC[C@@H]1NCc1cccc([N+](=O)[O-])c1C ZINC000331159494 374897938 /nfs/dbraw/zinc/89/79/38/374897938.db2.gz DWUDZMRHTKOEOW-OLZOCXBDSA-N 0 3 291.351 1.908 20 5 CDBDHN C[C@@]1(C(N)=O)CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000280413547 374996040 /nfs/dbraw/zinc/99/60/40/374996040.db2.gz YQKLTWTWVVVRDI-CYBMUJFWSA-N 0 3 263.297 1.292 20 5 CDBDHN CC[C@](C)(O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000161841867 375191361 /nfs/dbraw/zinc/19/13/61/375191361.db2.gz YUARZVCDOASBBU-FZMZJTMJSA-N 0 3 294.355 1.637 20 5 CDBDHN C[C@H](CN(C)C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000351531490 375304422 /nfs/dbraw/zinc/30/44/22/375304422.db2.gz XHDWYFJAVBEHCV-GHMZBOCLSA-N 0 3 294.355 1.905 20 5 CDBDHN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(C)CC1 ZINC000302838025 375258960 /nfs/dbraw/zinc/25/89/60/375258960.db2.gz PSMODIMTZMIFLM-UHFFFAOYSA-N 0 3 292.339 1.464 20 5 CDBDHN C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000351938040 375343091 /nfs/dbraw/zinc/34/30/91/375343091.db2.gz WTNIJYUSUPFNAK-STQMWFEESA-N 0 3 293.367 1.998 20 5 CDBDHN CC(C)NC(=O)CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293948884 375460257 /nfs/dbraw/zinc/46/02/57/375460257.db2.gz ZDDZHXQFTCSKAZ-SNVBAGLBSA-N 0 3 294.355 1.742 20 5 CDBDHN C[C@H](O)CCN(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248372665 376290170 /nfs/dbraw/zinc/29/01/70/376290170.db2.gz BPDWVVPHNSXPMY-NWDGAFQWSA-N 0 3 298.339 1.037 20 5 CDBDHN COc1cc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)ccn1 ZINC000347565010 376410748 /nfs/dbraw/zinc/41/07/48/376410748.db2.gz QFQHEUFVBLRYDD-SNVBAGLBSA-N 0 3 291.311 1.546 20 5 CDBDHN CN[C@@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000054074575 376575671 /nfs/dbraw/zinc/57/56/71/376575671.db2.gz HBJGKOADKGHKQV-IUCAKERBSA-N 0 3 251.286 1.380 20 5 CDBDHN Cc1c(NC(=O)CNC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000232742152 377414684 /nfs/dbraw/zinc/41/46/84/377414684.db2.gz BGSWDOSOGLZHNJ-LLVKDONJSA-N 0 3 293.323 1.610 20 5 CDBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)C12CCCN1CCC2 ZINC000278630033 194076149 /nfs/dbraw/zinc/07/61/49/194076149.db2.gz NABFCQBKCZSLHA-UHFFFAOYSA-N 0 3 289.335 1.839 20 5 CDBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CCCC3)C2)nc1 ZINC000072089511 285130306 /nfs/dbraw/zinc/13/03/06/285130306.db2.gz VHUIQLLNSWCNRV-LBPRGKRZSA-N 0 3 262.313 1.664 20 5 CDBDHN C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCN(C2CC2)C1 ZINC000451080768 390595692 /nfs/dbraw/zinc/59/56/92/390595692.db2.gz CFCJXZGGKCRPJO-LLVKDONJSA-N 0 3 293.371 1.244 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000286918990 390814954 /nfs/dbraw/zinc/81/49/54/390814954.db2.gz IIBHEXIFAXREKU-JTQLQIEISA-N 0 3 281.312 1.040 20 5 CDBDHN CN(C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000416306067 391985217 /nfs/dbraw/zinc/98/52/17/391985217.db2.gz YWLSPFYZQMAJLA-UHFFFAOYSA-N 0 3 281.287 1.558 20 5 CDBDHN C[C@@H]1CN[C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000237603479 131046405 /nfs/dbraw/zinc/04/64/05/131046405.db2.gz HRZJTUSJWVOFLH-WDEREUQCSA-N 0 3 293.323 1.182 20 5 CDBDHN C[C@H]1NCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000262849310 131267878 /nfs/dbraw/zinc/26/78/78/131267878.db2.gz ZECQFTMSRZWJDW-BDAKNGLRSA-N 0 3 281.287 1.556 20 5 CDBDHN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000265589655 131607367 /nfs/dbraw/zinc/60/73/67/131607367.db2.gz RKDCUUVRBTWKFA-VIFPVBQESA-N 0 3 299.758 1.857 20 5 CDBDHN C[C@@H]1[C@H](CO)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000488717182 392721958 /nfs/dbraw/zinc/72/19/58/392721958.db2.gz KUIZWLDHNFPYGW-NEPJUHHUSA-N 0 3 280.324 1.676 20 5 CDBDHN C[C@@H]1CCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000525804399 392937561 /nfs/dbraw/zinc/93/75/61/392937561.db2.gz VLTWTZXGTFETBX-GFCCVEGCSA-N 0 3 291.351 1.595 20 5 CDBDHN CCc1n[nH]c(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000422026610 392950424 /nfs/dbraw/zinc/95/04/24/392950424.db2.gz UIHZVTCEAJEVEN-SECBINFHSA-N 0 3 295.343 1.047 20 5 CDBDHN CCc1[nH]nc(C(=O)N(C)C[C@H]2CCCN2C)c1[N+](=O)[O-] ZINC000422026610 392950426 /nfs/dbraw/zinc/95/04/26/392950426.db2.gz UIHZVTCEAJEVEN-SECBINFHSA-N 0 3 295.343 1.047 20 5 CDBDHN CO[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000282062263 393170603 /nfs/dbraw/zinc/17/06/03/393170603.db2.gz BPHPCXUHTVOAAM-YPMHNXCESA-N 0 3 295.339 1.256 20 5 CDBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC1(C(N)=O)CC1 ZINC000449239408 393131651 /nfs/dbraw/zinc/13/16/51/393131651.db2.gz JJKLXGFLIYCASG-SECBINFHSA-N 0 3 263.297 1.133 20 5 CDBDHN CNC(=O)C[C@@H](C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000449602542 393135644 /nfs/dbraw/zinc/13/56/44/393135644.db2.gz PBZSRJXHJLTWPU-OKPNEXGHSA-N 0 3 277.324 1.722 20 5 CDBDHN C[C@H]1[NH2+]CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000189322829 140111992 /nfs/dbraw/zinc/11/19/92/140111992.db2.gz JNQBFZBQDOEJHU-ZJUUUORDSA-N 0 3 299.352 1.014 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000333982131 149293621 /nfs/dbraw/zinc/29/36/21/149293621.db2.gz HLGYWKZYCOCWAV-GXSJLCMTSA-N 0 3 295.314 1.946 20 5 CDBDHN COc1cc(CN(C)[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000352668690 155341748 /nfs/dbraw/zinc/34/17/48/155341748.db2.gz UIPODEHRWMTIAT-WCQYABFASA-N 0 3 280.324 1.949 20 5 CDBDHN Cc1c([C@H](C)NC[C@@H](O)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000358047826 157860882 /nfs/dbraw/zinc/86/08/82/157860882.db2.gz OIUXYSXWXFPFTK-SLEUVZQESA-N 0 3 294.351 1.951 20 5 CDBDHN C[C@H](NC[C@@]1(O)CCO[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284848587 196143673 /nfs/dbraw/zinc/14/36/73/196143673.db2.gz ABBAKSLJPXPPQW-RBZYPMLTSA-N 0 3 295.339 1.368 20 5 CDBDHN CN1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000044538543 175199438 /nfs/dbraw/zinc/19/94/38/175199438.db2.gz LPRLIJLOZHMIAW-SNVBAGLBSA-N 0 3 295.314 1.806 20 5 CDBDHN C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@@H](C)CN1 ZINC000086467555 296914116 /nfs/dbraw/zinc/91/41/16/296914116.db2.gz OFIOEXIBSHLNBX-BDAKNGLRSA-N 0 3 281.287 1.556 20 5 CDBDHN CCN1CCN(CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000286768155 424631584 /nfs/dbraw/zinc/63/15/84/424631584.db2.gz ZRECNWJQOWXKAV-CYBMUJFWSA-N 0 3 293.367 2.000 20 5 CDBDHN CC[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)N(CC)CC ZINC000269118469 270314357 /nfs/dbraw/zinc/31/43/57/270314357.db2.gz QDIASTRWFZBIFG-LBPRGKRZSA-N 0 3 297.359 1.028 20 5 CDBDHN COc1ccc(CN[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000323437179 270331528 /nfs/dbraw/zinc/33/15/28/270331528.db2.gz RKBKPDAYCQLFFS-ZYHUDNBSSA-N 0 3 266.297 1.606 20 5 CDBDHN CNC(=O)C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297151714 277231648 /nfs/dbraw/zinc/23/16/48/277231648.db2.gz CKDJSVZHZNASIM-ZJUUUORDSA-N 0 3 265.313 1.770 20 5 CDBDHN C[C@@H]1[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCCN1C ZINC000447684587 279119146 /nfs/dbraw/zinc/11/91/46/279119146.db2.gz BTOPQCNJLSSIRE-MWLCHTKSSA-N 0 3 289.339 1.788 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN([C@H](C)CO)CC2)c1 ZINC000345037815 281011147 /nfs/dbraw/zinc/01/11/47/281011147.db2.gz QXSAMPKBRBDOAB-CYBMUJFWSA-N 0 3 293.367 1.796 20 5 CDBDHN COCC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532036482 281892990 /nfs/dbraw/zinc/89/29/90/281892990.db2.gz FPUCIWDSELSCKQ-LBPRGKRZSA-N 0 3 294.355 1.537 20 5 CDBDHN CC(C)[C@H](CN(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050708755 519814350 /nfs/dbraw/zinc/81/43/50/519814350.db2.gz GAULFXHUPLROBM-ZDUSSCGKSA-N 0 3 294.355 1.493 20 5 CDBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N(C)C1CC1 ZINC000340727082 524460447 /nfs/dbraw/zinc/46/04/47/524460447.db2.gz OJOSXIZZHGESRM-MRVPVSSYSA-N 0 3 266.301 1.135 20 5 CDBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)N(C)C1CC1 ZINC000068219668 524463580 /nfs/dbraw/zinc/46/35/80/524463580.db2.gz LNZUHRCWGDDJGY-MRVPVSSYSA-N 0 3 267.285 1.400 20 5 CDBDHN C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)CCN1C ZINC000157350625 524918999 /nfs/dbraw/zinc/91/89/99/524918999.db2.gz BQZBOHNXPVCRQS-VHSXEESVSA-N 0 3 292.339 1.390 20 5 CDBDHN Cc1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000731678828 575059523 /nfs/dbraw/zinc/05/95/23/575059523.db2.gz RBXWPUQZNZNDIG-ZDUSSCGKSA-N 0 3 276.296 1.450 20 5 CDBDHN Cc1cc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000731678828 575059524 /nfs/dbraw/zinc/05/95/24/575059524.db2.gz RBXWPUQZNZNDIG-ZDUSSCGKSA-N 0 3 276.296 1.450 20 5 CDBDHN CC(=O)Nc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1F ZINC000813104890 617343121 /nfs/dbraw/zinc/34/31/21/617343121.db2.gz SORVSTUDVFFRFV-ZETCQYMHSA-N 0 3 284.243 1.606 20 5 CDBDHN CC(COC(=O)c1c[nH]nc1-c1ccoc1)[N+](=O)[O-] ZINC000813115378 617349317 /nfs/dbraw/zinc/34/93/17/617349317.db2.gz QJLGVBGNDFXGRA-SSDOTTSWSA-N 0 3 265.225 1.492 20 5 CDBDHN CN(C)CCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934011519 617840745 /nfs/dbraw/zinc/84/07/45/617840745.db2.gz MTCAROMIPYNQNL-ZIAGYGMSSA-N 0 3 291.351 1.718 20 5 CDBDHN O=C(CCN1CC[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000934017570 617856219 /nfs/dbraw/zinc/85/62/19/617856219.db2.gz SIZNWZGWTQYANL-JTQLQIEISA-N 0 3 297.286 1.129 20 5 CDBDHN Cc1cc(C2(C(=O)OCC(C)[N+](=O)[O-])CC2)on1 ZINC000893045067 618092748 /nfs/dbraw/zinc/09/27/48/618092748.db2.gz PAYADTCXWLWKHN-QMMMGPOBSA-N 0 3 254.242 1.223 20 5 CDBDHN CC[C@@H](CN1CCOCC1)NCc1ccccc1[N+](=O)[O-] ZINC000922591129 618276669 /nfs/dbraw/zinc/27/66/69/618276669.db2.gz PLHIVYPJVRDXGY-AWEZNQCLSA-N 0 3 293.367 1.795 20 5 CDBDHN CN(C)[C@@H](CNCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000905055745 626605518 /nfs/dbraw/zinc/60/55/18/626605518.db2.gz RNXZQZQZDSZFOT-LBPRGKRZSA-N 0 3 255.293 1.295 20 5 CDBDHN CCCOc1cccc(CCNCC[N+](=O)[O-])c1 ZINC000905174673 626679159 /nfs/dbraw/zinc/67/91/59/626679159.db2.gz FVLGTFBLOBVKLE-UHFFFAOYSA-N 0 3 252.314 1.884 20 5 CDBDHN O=[N+]([O-])CCNCCc1cccc(Br)c1 ZINC000905283773 626737668 /nfs/dbraw/zinc/73/76/68/626737668.db2.gz HOAYQNMCGGQQEG-UHFFFAOYSA-N 0 3 273.130 1.858 20 5 CDBDHN Cc1cccc(N[C@@H](C)[C@H]2CNCCO2)c1[N+](=O)[O-] ZINC001170567743 1162950546 /nfs/dbraw/zinc/95/05/46/1162950546.db2.gz LTWPKYOQMQRNED-CMPLNLGQSA-N 0 3 265.313 1.692 20 5 CDBDHN CC(COC(=O)c1ccn(-c2cccc(F)c2)n1)[N+](=O)[O-] ZINC000813105506 1163804134 /nfs/dbraw/zinc/80/41/34/1163804134.db2.gz NOXVVTOBUMRMPR-SECBINFHSA-N 0 3 293.254 1.833 20 5 CDBDHN CCC[C@@H](O)[C@@H](CO)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131243 1165514753 /nfs/dbraw/zinc/51/47/53/1165514753.db2.gz PWSTVIVVTULOGP-UKRRQHHQSA-N 0 3 296.367 1.823 20 5 CDBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(C(N)=O)CC1 ZINC000876526698 1165864618 /nfs/dbraw/zinc/86/46/18/1165864618.db2.gz BOOIOINPOVNYCY-UHFFFAOYSA-N 0 3 291.351 1.909 20 5 CDBDHN O=[N+]([O-])c1cc(OC2CCN(C3CC3)CC2)ccn1 ZINC001233858257 913089519 /nfs/dbraw/zinc/08/95/19/913089519.db2.gz SQQMDIKPYIMRAH-UHFFFAOYSA-N 0 3 263.297 1.995 20 5 CDBDHN O=[N+]([O-])c1cc2c(cc1NC1CSC1)CNC2 ZINC001168364974 909612609 /nfs/dbraw/zinc/61/26/09/909612609.db2.gz XEWGFTIOGBGJEC-UHFFFAOYSA-N 0 3 251.311 1.725 20 5 CDBDHN O=C(CCO)CN[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912720 912103036 /nfs/dbraw/zinc/10/30/36/912103036.db2.gz OQQQMZMDZGWBOV-CYBMUJFWSA-N 0 3 292.335 1.383 20 5 CDBDHN C[C@H](N)c1cn([C@@H](C)c2cccc([N+](=O)[O-])c2)nn1 ZINC000881100279 929782107 /nfs/dbraw/zinc/78/21/07/929782107.db2.gz GBKNFPVQVXVVKF-IUCAKERBSA-N 0 3 261.285 1.815 20 5 CDBDHN CC(C)(C)[C@@H](CO)NCc1cccnc1[N+](=O)[O-] ZINC000886120323 930810003 /nfs/dbraw/zinc/81/00/03/930810003.db2.gz BHRQOAVAWRXWEH-SNVBAGLBSA-N 0 3 253.302 1.486 20 5 CDBDHN NCc1ccnn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001155124368 937638262 /nfs/dbraw/zinc/63/82/62/937638262.db2.gz HTYDPRKNPOUNTO-UHFFFAOYSA-N 0 3 258.241 1.116 20 5 CDBDHN CC(C)(C)OC(=O)NCC[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000932695309 933747117 /nfs/dbraw/zinc/74/71/17/933747117.db2.gz MXNCHPPMQXTZHK-NSHDSACASA-N 0 3 287.360 1.500 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000049096525 934409070 /nfs/dbraw/zinc/40/90/70/934409070.db2.gz DSIUCDDSTFVBOS-SNVBAGLBSA-N 0 3 278.312 1.001 20 5 CDBDHN Cc1c(CNC[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000037999649 934843040 /nfs/dbraw/zinc/84/30/40/934843040.db2.gz YSIZHJOAMLITKU-LLVKDONJSA-N 0 3 298.364 1.428 20 5 CDBDHN CN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000796500347 935310934 /nfs/dbraw/zinc/31/09/34/935310934.db2.gz GAROVDABSUHEEY-LBPRGKRZSA-N 0 3 266.297 1.085 20 5 CDBDHN Cc1cc(Cl)nc(-n2cnc3c2CNCC3)c1[N+](=O)[O-] ZINC001164314041 939452698 /nfs/dbraw/zinc/45/26/98/939452698.db2.gz ZIKGNARTSVOOHI-UHFFFAOYSA-N 0 3 293.714 1.783 20 5 CDBDHN CN(C)C1(C)CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001165118169 939512280 /nfs/dbraw/zinc/51/22/80/939512280.db2.gz POLGJDAFDUQASY-UHFFFAOYSA-N 0 3 281.272 1.038 20 5 CDBDHN COc1ccc([N+](=O)[O-])c(OC2CCN(C)CC2)n1 ZINC001234879604 943965736 /nfs/dbraw/zinc/96/57/36/943965736.db2.gz QQGHYSRGYYZMBF-UHFFFAOYSA-N 0 3 267.285 1.471 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCC1(F)COC1)C2 ZINC001254574116 947532801 /nfs/dbraw/zinc/53/28/01/947532801.db2.gz GHPQGYBRETYFHD-LLVKDONJSA-N 0 3 266.272 1.390 20 5 CDBDHN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN3CC[C@H]3C1)C2 ZINC001254605696 947552116 /nfs/dbraw/zinc/55/21/16/947552116.db2.gz CQOYWWPOSQCTPA-GJZGRUSLSA-N 0 3 273.336 1.452 20 5 CDBDHN CO[C@H]1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC001307780099 956438615 /nfs/dbraw/zinc/43/86/15/956438615.db2.gz DNWFKRJTLQZSGM-PWSUYJOCSA-N 0 3 268.317 1.148 20 5 CDBDHN C[C@@H](NC[C@H](O)C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC001308071281 956464768 /nfs/dbraw/zinc/46/47/68/956464768.db2.gz YLUZRDBRMRODHF-SKDRFNHKSA-N 0 3 268.313 1.377 20 5 CDBDHN CC(C)(C)N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001317902625 957809951 /nfs/dbraw/zinc/80/99/51/957809951.db2.gz XUBRPTPEDASJDJ-UHFFFAOYSA-N 0 3 267.333 1.165 20 5 CDBDHN C[C@@]1(CO)CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001319965604 958819096 /nfs/dbraw/zinc/81/90/96/958819096.db2.gz SPUXTCLIXAPVHM-LSDHHAIUSA-N 0 3 294.351 1.723 20 5 CDBDHN O=C(CCCF)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132461712 1163309927 /nfs/dbraw/zinc/30/99/27/1163309927.db2.gz XPNTXIFYBYQLFN-UHFFFAOYSA-N 0 3 283.303 1.550 20 5 CDBDHN CCN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000150221088 342473706 /nfs/dbraw/zinc/47/37/06/342473706.db2.gz KCXFUDYLWGNLAZ-UHFFFAOYSA-N 0 3 263.341 1.775 20 5 CDBDHN CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000601183961 342489122 /nfs/dbraw/zinc/48/91/22/342489122.db2.gz DWWUVIQQEZKHBO-NWDGAFQWSA-N 0 3 293.371 1.508 20 5 CDBDHN CN1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000590776523 342595348 /nfs/dbraw/zinc/59/53/48/342595348.db2.gz NJKYJWZRUOCSHV-RNCFNFMXSA-N 0 3 293.298 1.510 20 5 CDBDHN CC1(C)CN[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000591670603 342641323 /nfs/dbraw/zinc/64/13/23/342641323.db2.gz DBEIZGXQZBNSLN-LBPRGKRZSA-N 0 3 292.339 1.121 20 5 CDBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCCN3CCCC[C@H]23)nc1 ZINC000594600459 342929909 /nfs/dbraw/zinc/92/99/09/342929909.db2.gz LIWFZFLZYRDBSJ-VXGBXAGGSA-N 0 3 277.328 1.814 20 5 CDBDHN CN(C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000075956518 342316730 /nfs/dbraw/zinc/31/67/30/342316730.db2.gz NVKGHFGSUDOYKY-VIFPVBQESA-N 0 3 266.301 1.089 20 5 CDBDHN Nc1nc(N2CCN(C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000076650577 342322812 /nfs/dbraw/zinc/32/28/12/342322812.db2.gz NCPIPLUWOYXNSM-UHFFFAOYSA-N 0 3 292.343 1.032 20 5 CDBDHN CCN(CC)CC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000299275467 362010585 /nfs/dbraw/zinc/01/05/85/362010585.db2.gz KNKNQFFPXSIKDH-UHFFFAOYSA-N 0 3 295.339 1.561 20 5 CDBDHN C[C@H](NCCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000290109605 362101716 /nfs/dbraw/zinc/10/17/16/362101716.db2.gz YHGUPMSEDKMUOA-JTQLQIEISA-N 0 3 278.312 1.271 20 5 CDBDHN CC[C@H](NC)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595933626 343185603 /nfs/dbraw/zinc/18/56/03/343185603.db2.gz IYGYLCVRBDJIPA-JTQLQIEISA-N 0 3 263.297 1.482 20 5 CDBDHN CC[C@@H](NC)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595925352 343193165 /nfs/dbraw/zinc/19/31/65/343193165.db2.gz ZPRNWPWQMRXFNZ-SNVBAGLBSA-N 0 3 251.286 1.840 20 5 CDBDHN Nc1ccc(NC[C@@H]2CCCCN2C2CC2)nc1[N+](=O)[O-] ZINC000596211561 343267886 /nfs/dbraw/zinc/26/78/86/343267886.db2.gz UINUIGYMPONRAZ-NSHDSACASA-N 0 3 291.355 1.423 20 5 CDBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CC(N)=O)C1 ZINC000588977170 342446591 /nfs/dbraw/zinc/44/65/91/342446591.db2.gz GXKKUZKKAFQAKT-GHMZBOCLSA-N 0 3 277.324 1.853 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1cnn(C)c1 ZINC000602810385 344602765 /nfs/dbraw/zinc/60/27/65/344602765.db2.gz LNCMYBMELYWNJD-VIFPVBQESA-N 0 3 278.316 1.184 20 5 CDBDHN Cc1c(NC(=O)/C=C/CN(C)C)cccc1[N+](=O)[O-] ZINC000265636201 362482527 /nfs/dbraw/zinc/48/25/27/362482527.db2.gz OLUGHRGOCRCUAO-VMPITWQZSA-N 0 3 263.297 1.960 20 5 CDBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCS[C@H](C)CC1 ZINC000602818300 344608321 /nfs/dbraw/zinc/60/83/21/344608321.db2.gz CZNXXBOSVTYLDD-SNVBAGLBSA-N 0 3 284.385 1.927 20 5 CDBDHN CCN(CCSC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602847432 344624652 /nfs/dbraw/zinc/62/46/52/344624652.db2.gz BNEPIQMSRHUVET-UHFFFAOYSA-N 0 3 272.374 1.785 20 5 CDBDHN Cc1c(C(=O)N2CCNCC2(C)C)cccc1[N+](=O)[O-] ZINC000088139153 346014294 /nfs/dbraw/zinc/01/42/94/346014294.db2.gz ZXVTURIVVOHGEA-UHFFFAOYSA-N 0 3 277.324 1.727 20 5 CDBDHN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@H](C)CN1 ZINC000086467982 179298917 /nfs/dbraw/zinc/29/89/17/179298917.db2.gz AWLSUBUXYWPUPR-HTQZYQBOSA-N 0 3 269.326 1.479 20 5 CDBDHN CN1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273346156 192120961 /nfs/dbraw/zinc/12/09/61/192120961.db2.gz BOYVEXBXKDWZJH-QMMMGPOBSA-N 0 3 282.275 1.560 20 5 CDBDHN C[C@H](NC[C@H](CO)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000280200399 362879650 /nfs/dbraw/zinc/87/96/50/362879650.db2.gz BKHZFDLLGLVOAX-IACUBPJLSA-N 0 3 294.351 1.890 20 5 CDBDHN CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000029606933 348671944 /nfs/dbraw/zinc/67/19/44/348671944.db2.gz DYDJWWHEEJZXNN-UHFFFAOYSA-N 0 3 283.353 1.870 20 5 CDBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](C)C1 ZINC000046954165 348801770 /nfs/dbraw/zinc/80/17/70/348801770.db2.gz WBZLLASSTRUARF-QWRGUYRKSA-N 0 3 294.355 1.773 20 5 CDBDHN CN1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344554134 362937093 /nfs/dbraw/zinc/93/70/93/362937093.db2.gz GIQCNBHJWVFLCP-VIFPVBQESA-N 0 3 281.287 1.415 20 5 CDBDHN CCc1nnc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000271170100 190975788 /nfs/dbraw/zinc/97/57/88/190975788.db2.gz SRPCKIUITDTIBE-QMMMGPOBSA-N 0 3 289.295 1.766 20 5 CDBDHN CCc1nc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000271170100 190975792 /nfs/dbraw/zinc/97/57/92/190975792.db2.gz SRPCKIUITDTIBE-QMMMGPOBSA-N 0 3 289.295 1.766 20 5 CDBDHN CN1CCO[C@@H](CNCc2ccc([N+](=O)[O-])cc2)C1 ZINC000105471994 186058867 /nfs/dbraw/zinc/05/88/67/186058867.db2.gz GILACSWPMDAEFO-ZDUSSCGKSA-N 0 3 265.313 1.015 20 5 CDBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCSC1 ZINC000152634383 188034090 /nfs/dbraw/zinc/03/40/90/188034090.db2.gz UWMNQDGHSJYPAL-NSHDSACASA-N 0 3 283.353 1.194 20 5 CDBDHN COC(=O)[C@@H](C)CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153747002 188100572 /nfs/dbraw/zinc/10/05/72/188100572.db2.gz SBQIRPLFEYGWCL-GWCFXTLKSA-N 0 3 296.323 1.369 20 5 CDBDHN Cc1cccc(C(=O)NCC2=CCN(C)CC2)c1[N+](=O)[O-] ZINC000271763922 191312079 /nfs/dbraw/zinc/31/20/79/191312079.db2.gz AHYOLTGVWCKVLR-UHFFFAOYSA-N 0 3 289.335 1.895 20 5 CDBDHN CN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273522620 192185264 /nfs/dbraw/zinc/18/52/64/192185264.db2.gz YYXXYWXICGLOOK-UHFFFAOYSA-N 0 3 296.302 1.950 20 5 CDBDHN CN(C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000308684481 356331233 /nfs/dbraw/zinc/33/12/33/356331233.db2.gz RLJKJPWERCUIDY-UHFFFAOYSA-N 0 3 280.328 1.247 20 5 CDBDHN CCN1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000048411460 357182642 /nfs/dbraw/zinc/18/26/42/357182642.db2.gz WKVCOQWBELAIFF-ZDUSSCGKSA-N 0 3 277.324 1.809 20 5 CDBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN(C)C ZINC000286897675 358024764 /nfs/dbraw/zinc/02/47/64/358024764.db2.gz GTAADSYQLFQSCF-JTQLQIEISA-N 0 3 265.313 1.583 20 5 CDBDHN COc1ccc(CN[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000135309130 358168946 /nfs/dbraw/zinc/16/89/46/358168946.db2.gz PPDMTUCLVWERNV-GXSJLCMTSA-N 0 3 266.297 1.870 20 5 CDBDHN C[C@H]1CCNC(=O)[C@H]1NCCOc1cccc([N+](=O)[O-])c1 ZINC000193631770 358310380 /nfs/dbraw/zinc/31/03/80/358310380.db2.gz UNOXACGCEUHTSR-GWCFXTLKSA-N 0 3 293.323 1.088 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000287296842 358379036 /nfs/dbraw/zinc/37/90/36/358379036.db2.gz VADXLTRNFDXXTN-JTQLQIEISA-N 0 3 265.313 1.204 20 5 CDBDHN O=[N+]([O-])c1cccnc1N[C@H]1CCCN(CCCO)C1 ZINC000294862985 199219584 /nfs/dbraw/zinc/21/95/84/199219584.db2.gz CIWBQFRLXMLMPD-NSHDSACASA-N 0 3 280.328 1.249 20 5 CDBDHN CN(C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000132186411 358517201 /nfs/dbraw/zinc/51/72/01/358517201.db2.gz GDLMIZSFYLYFHY-UHFFFAOYSA-N 0 3 278.312 1.453 20 5 CDBDHN CN1CCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264858707 358748499 /nfs/dbraw/zinc/74/84/99/358748499.db2.gz DKPYXULVFOLNKL-LLVKDONJSA-N 0 3 292.339 1.217 20 5 CDBDHN CC(C)[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCS1 ZINC000176285484 358785899 /nfs/dbraw/zinc/78/58/99/358785899.db2.gz HSMSSZYOYOOTTQ-LLVKDONJSA-N 0 3 284.385 1.865 20 5 CDBDHN CN(CCn1ccc([N+](=O)[O-])n1)[C@H](CO)c1ccccc1 ZINC000267150444 358852027 /nfs/dbraw/zinc/85/20/27/358852027.db2.gz CDXMLASKXRFRCQ-CYBMUJFWSA-N 0 3 290.323 1.457 20 5 CDBDHN CCN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](C)OC ZINC000291354572 358945646 /nfs/dbraw/zinc/94/56/46/358945646.db2.gz YFYKBZNTVMJEBG-NSHDSACASA-N 0 3 283.328 1.113 20 5 CDBDHN CC[C@@H](NC(=O)CNC)c1cccc([N+](=O)[O-])c1 ZINC000236901259 359061139 /nfs/dbraw/zinc/06/11/39/359061139.db2.gz UHJNOPHQJIQHLX-LLVKDONJSA-N 0 3 251.286 1.382 20 5 CDBDHN O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H]1CN1CCCC1 ZINC000548085618 360109374 /nfs/dbraw/zinc/10/93/74/360109374.db2.gz LWPYSODVRNIEKF-SNVBAGLBSA-N 0 3 293.327 1.018 20 5 CDBDHN C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000135994459 360218073 /nfs/dbraw/zinc/21/80/73/360218073.db2.gz URHRPWKJXJUPHI-ZJUUUORDSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000177088603 189027786 /nfs/dbraw/zinc/02/77/86/189027786.db2.gz ZVICZJFWFCPEDX-PWSUYJOCSA-N 0 3 289.335 1.950 20 5 CDBDHN Cc1nc(N2C[C@@H]3CCCN3C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297205763 360625773 /nfs/dbraw/zinc/62/57/73/360625773.db2.gz RRYUXWIGJWKVOD-KOLCDFICSA-N 0 3 277.328 1.366 20 5 CDBDHN CN1CC[C@](O)(CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000358330177 360960447 /nfs/dbraw/zinc/96/04/47/360960447.db2.gz NPJFYKANDWTVLV-LBPRGKRZSA-N 0 3 287.266 1.352 20 5 CDBDHN C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000581168596 363968108 /nfs/dbraw/zinc/96/81/08/363968108.db2.gz CUVRCDUJLDIAIA-NXEZZACHSA-N 0 3 295.343 1.168 20 5 CDBDHN C[C@@]1(CO)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000546105060 365209124 /nfs/dbraw/zinc/20/91/24/365209124.db2.gz NWXUVNQCIPTIPY-ZDUSSCGKSA-N 0 3 250.298 1.942 20 5 CDBDHN CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000270826088 366934376 /nfs/dbraw/zinc/93/43/76/366934376.db2.gz BXUGDUWGALDCKB-BXUZGUMPSA-N 0 3 280.324 1.676 20 5 CDBDHN COCCNCCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414690349 241326837 /nfs/dbraw/zinc/32/68/37/241326837.db2.gz AIXYFECPZJNNBL-UHFFFAOYSA-N 0 3 296.327 1.261 20 5 CDBDHN CN1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774215 367017185 /nfs/dbraw/zinc/01/71/85/367017185.db2.gz BOUOCWFCXYWWIO-UHFFFAOYSA-N 0 3 267.304 1.871 20 5 CDBDHN C[C@@H](NCCN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295989283 370822058 /nfs/dbraw/zinc/82/20/58/370822058.db2.gz PJKHVAULMBLDOC-GFCCVEGCSA-N 0 3 293.367 1.702 20 5 CDBDHN CN(C)CCO[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000352054067 367680780 /nfs/dbraw/zinc/68/07/80/367680780.db2.gz YVLJYMKPWKHZIR-GFCCVEGCSA-N 0 3 279.340 1.752 20 5 CDBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC(C)(CO)CO ZINC000272360326 367693590 /nfs/dbraw/zinc/69/35/90/367693590.db2.gz SCYOCBOJZWLQTE-GFCCVEGCSA-N 0 3 296.367 1.887 20 5 CDBDHN CCN(C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340307882 284332556 /nfs/dbraw/zinc/33/25/56/284332556.db2.gz QTUNZGRTMUSYNF-UHFFFAOYSA-N 0 3 293.367 1.940 20 5 CDBDHN C[C@H](Cn1cccn1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642935 373295574 /nfs/dbraw/zinc/29/55/74/373295574.db2.gz CPSMXCGFMGRANY-RISCZKNCSA-N 0 3 290.323 1.503 20 5 CDBDHN C[C@@H](Cn1cccn1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269642936 373300984 /nfs/dbraw/zinc/30/09/84/373300984.db2.gz CPSMXCGFMGRANY-SMDDNHRTSA-N 0 3 290.323 1.503 20 5 CDBDHN COCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269672298 373652670 /nfs/dbraw/zinc/65/26/70/373652670.db2.gz VEVUUYIEZCDXOY-HNNXBMFYSA-N 0 3 294.351 1.987 20 5 CDBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCO[C@@H]2C2CC2)c1 ZINC000368463261 373840909 /nfs/dbraw/zinc/84/09/09/373840909.db2.gz UASVEFYOVLMEKW-RRFJBIMHSA-N 0 3 292.335 1.785 20 5 CDBDHN CCN(CCOC)CCOc1ccccc1[N+](=O)[O-] ZINC000299131658 374424208 /nfs/dbraw/zinc/42/42/08/374424208.db2.gz MFTGVHZFGOTINT-UHFFFAOYSA-N 0 3 268.313 1.942 20 5 CDBDHN CN(C)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000124873554 374855060 /nfs/dbraw/zinc/85/50/60/374855060.db2.gz SBEAFDOCTWLZMK-UHFFFAOYSA-N 0 3 280.328 1.075 20 5 CDBDHN COC[C@H](CO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000279630133 374937737 /nfs/dbraw/zinc/93/77/37/374937737.db2.gz BSYPEDLJJQZRAO-FUEXJSSKSA-N 0 3 266.297 1.205 20 5 CDBDHN CC(C)c1ccc(CN[C@@H]2COCC[C@H]2O)cc1[N+](=O)[O-] ZINC000601160495 375393409 /nfs/dbraw/zinc/39/34/09/375393409.db2.gz YEZYIWUQUJOTMS-UKRRQHHQSA-N 0 3 294.351 1.958 20 5 CDBDHN CCN1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000132718006 375577826 /nfs/dbraw/zinc/57/78/26/375577826.db2.gz OTVOIPHDAQWQSR-UHFFFAOYSA-N 0 3 295.314 1.948 20 5 CDBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)CC(N)=O ZINC000345043084 375731333 /nfs/dbraw/zinc/73/13/33/375731333.db2.gz DSVWZGWNBMXPHA-CDCCAWJDSA-N 0 3 277.324 1.852 20 5 CDBDHN Cc1ccc([C@H](C)NC[C@@H](O)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000358040073 375948434 /nfs/dbraw/zinc/94/84/34/375948434.db2.gz BNECENHJVSOYRZ-CORIIIEPSA-N 0 3 294.351 1.951 20 5 CDBDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])cn2)CCSC1 ZINC000267055011 376619009 /nfs/dbraw/zinc/61/90/09/376619009.db2.gz FUKYYMHDIIOTHE-GFCCVEGCSA-N 0 3 282.369 1.839 20 5 CDBDHN CCC1(O)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267087127 377061967 /nfs/dbraw/zinc/06/19/67/377061967.db2.gz OTRAPLYQYPLBJE-UHFFFAOYSA-N 0 3 268.317 1.028 20 5 CDBDHN C[C@H]1[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])CCCN1C ZINC000345166588 377404245 /nfs/dbraw/zinc/40/42/45/377404245.db2.gz SQUNEEYHRCNZNN-VHSXEESVSA-N 0 3 293.327 1.016 20 5 CDBDHN CCOC1CC(O)(CNCc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000444016770 250073778 /nfs/dbraw/zinc/07/37/78/250073778.db2.gz NCDGIYFATAQOTN-UHFFFAOYSA-N 0 3 294.351 1.923 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCN2CCSCC2)cc1 ZINC000226248049 285114383 /nfs/dbraw/zinc/11/43/83/285114383.db2.gz RNGHTYSXLZIDAY-UHFFFAOYSA-N 0 3 281.381 1.733 20 5 CDBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCCC[C@H]2O)cc1 ZINC000037691593 285115720 /nfs/dbraw/zinc/11/57/20/285115720.db2.gz MDSTXVZXGKBJLO-QWHCGFSZSA-N 0 3 250.298 1.988 20 5 CDBDHN CN(C)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC000505338102 254086128 /nfs/dbraw/zinc/08/61/28/254086128.db2.gz NEUJGWMIQJABSR-UHFFFAOYSA-N 0 3 289.295 1.632 20 5 CDBDHN C[C@@H](CN(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000286916742 390815222 /nfs/dbraw/zinc/81/52/22/390815222.db2.gz HYWAMKGCAOAYAW-QMMMGPOBSA-N 0 3 269.276 1.414 20 5 CDBDHN C[C@H]1CCN(C)CCN1c1nc2sccn2c1[N+](=O)[O-] ZINC000354092475 391057733 /nfs/dbraw/zinc/05/77/33/391057733.db2.gz OCPQBWOVEPJAGG-VIFPVBQESA-N 0 3 295.368 1.834 20 5 CDBDHN CC(C)(O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568107615 391585350 /nfs/dbraw/zinc/58/53/50/391585350.db2.gz SRYBDBWYPIMPGU-LLVKDONJSA-N 0 3 250.298 1.943 20 5 CDBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CCS1 ZINC000192169994 130386741 /nfs/dbraw/zinc/38/67/41/130386741.db2.gz UBCXOFDBXIBBHO-NSHDSACASA-N 0 3 297.380 1.584 20 5 CDBDHN C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000267069858 391926102 /nfs/dbraw/zinc/92/61/02/391926102.db2.gz KPQDLXFTDFZRSG-QWRGUYRKSA-N 0 3 252.318 1.912 20 5 CDBDHN O=[N+]([O-])c1cccc(CN(CCO)C2CCOCC2)c1 ZINC000438348964 392007313 /nfs/dbraw/zinc/00/73/13/392007313.db2.gz ZTFXHBVKHFBTRL-UHFFFAOYSA-N 0 3 280.324 1.568 20 5 CDBDHN COC(=O)c1cnc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000419012679 392885463 /nfs/dbraw/zinc/88/54/63/392885463.db2.gz WZGPPJKWOYKAAH-UHFFFAOYSA-N 0 3 294.311 1.283 20 5 CDBDHN NC(=O)CC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421352590 392931066 /nfs/dbraw/zinc/93/10/66/392931066.db2.gz QYXHLGWOSQTHGQ-UHFFFAOYSA-N 0 3 297.742 1.993 20 5 CDBDHN CCCN1C[C@H](CNCc2ccccc2[N+](=O)[O-])CC1=O ZINC000421354764 392933544 /nfs/dbraw/zinc/93/35/44/392933544.db2.gz SQIWHKCVZCCSII-LBPRGKRZSA-N 0 3 291.351 1.943 20 5 CDBDHN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000430199669 393090421 /nfs/dbraw/zinc/09/04/21/393090421.db2.gz DDLUOEUAJGZLOY-ZLKJLUDKSA-N 0 3 292.335 1.806 20 5 CDBDHN CNC(=O)[C@@]1(C)CCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000430255442 393095444 /nfs/dbraw/zinc/09/54/44/393095444.db2.gz FGOWKRUXIUEWCM-HNNXBMFYSA-N 0 3 291.351 1.861 20 5 CDBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000532080416 393066099 /nfs/dbraw/zinc/06/60/99/393066099.db2.gz WRBGGPFLCBLPQM-SKDRFNHKSA-N 0 3 292.339 1.146 20 5 CDBDHN Cc1ccc(C(=O)N[C@@H]2CNCCC2(F)F)cc1[N+](=O)[O-] ZINC000449654691 393137576 /nfs/dbraw/zinc/13/75/76/393137576.db2.gz FINUKLGKUPVBOE-LLVKDONJSA-N 0 3 299.277 1.630 20 5 CDBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)nc1 ZINC000252667018 140322393 /nfs/dbraw/zinc/32/23/93/140322393.db2.gz FNFYPADALJCYQX-NWDGAFQWSA-N 0 3 278.312 1.265 20 5 CDBDHN COCC[C@@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000312171629 149228224 /nfs/dbraw/zinc/22/82/24/149228224.db2.gz VLKIKRIGZFUMMF-YPMHNXCESA-N 0 3 282.340 1.951 20 5 CDBDHN COc1ccc(CNC[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000312965544 149241426 /nfs/dbraw/zinc/24/14/26/149241426.db2.gz JXFRVYJCXXCOHW-AWEZNQCLSA-N 0 3 280.324 1.854 20 5 CDBDHN O=[N+]([O-])c1ccc(CNCCN2CCCOCC2)c(F)c1 ZINC000349351561 154096136 /nfs/dbraw/zinc/09/61/36/154096136.db2.gz QMTKJJFLULMNTP-UHFFFAOYSA-N 0 3 297.330 1.546 20 5 CDBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000375349785 160371544 /nfs/dbraw/zinc/37/15/44/160371544.db2.gz PNLUCERHWHNKMZ-RYUDHWBXSA-N 0 3 280.328 1.435 20 5 CDBDHN O=C1C[C@@]2(CN1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000353750719 156059687 /nfs/dbraw/zinc/05/96/87/156059687.db2.gz YOUTVMGSAKIYIH-OAHLLOKOSA-N 0 3 289.335 1.697 20 5 CDBDHN CCN(C)CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000354019833 156228205 /nfs/dbraw/zinc/22/82/05/156228205.db2.gz KURZTGNZNGLESU-UHFFFAOYSA-N 0 3 265.313 1.585 20 5 CDBDHN CN(CCN1CCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000013758067 170589663 /nfs/dbraw/zinc/58/96/63/170589663.db2.gz HDONRULVHLWTNY-UHFFFAOYSA-N 0 3 291.351 1.692 20 5 CDBDHN CO[C@@H](C)CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285704345 196372801 /nfs/dbraw/zinc/37/28/01/196372801.db2.gz ONGLHRQNXURQHK-GXFFZTMASA-N 0 3 268.313 1.595 20 5 CDBDHN CSCC[C@H](N)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040464243 174273354 /nfs/dbraw/zinc/27/33/54/174273354.db2.gz WRCIPZFWNQRAGJ-SKDRFNHKSA-N 0 3 297.380 1.852 20 5 CDBDHN CCC[C@@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000040676272 174373990 /nfs/dbraw/zinc/37/39/90/174373990.db2.gz VLWQICUBSFMERT-GFCCVEGCSA-N 0 3 265.313 1.381 20 5 CDBDHN CN(CCN(C)C1CC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000274461878 263024596 /nfs/dbraw/zinc/02/45/96/263024596.db2.gz KRBYWYVWBMRTPW-UHFFFAOYSA-N 0 3 295.368 1.834 20 5 CDBDHN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCN1C ZINC000194724550 280051396 /nfs/dbraw/zinc/05/13/96/280051396.db2.gz DJMSAPBSHXAKEW-LLVKDONJSA-N 0 3 293.323 1.427 20 5 CDBDHN Cc1n[nH]c(C(=O)NC(C)(C)CN2CCCC2)c1[N+](=O)[O-] ZINC000457054032 280189514 /nfs/dbraw/zinc/18/95/14/280189514.db2.gz PXRTZXREBRIUDZ-UHFFFAOYSA-N 0 3 295.343 1.231 20 5 CDBDHN CN1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000520999651 281064581 /nfs/dbraw/zinc/06/45/81/281064581.db2.gz OUDRTHXSDVCNKI-AWEZNQCLSA-N 0 3 276.340 1.912 20 5 CDBDHN CC(C)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067386876 519681949 /nfs/dbraw/zinc/68/19/49/519681949.db2.gz AHGLMGCJWKBXTD-UHFFFAOYSA-N 0 3 293.367 2.000 20 5 CDBDHN CCN(CCNC(=O)c1cc([N+](=O)[O-])ccc1N)C1CC1 ZINC000184372422 521071990 /nfs/dbraw/zinc/07/19/90/521071990.db2.gz XXLIJEFUKXOGKR-UHFFFAOYSA-N 0 3 292.339 1.391 20 5 CDBDHN CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000050699694 521638039 /nfs/dbraw/zinc/63/80/39/521638039.db2.gz BBNKADZFAACLGJ-LLVKDONJSA-N 0 3 292.339 1.391 20 5 CDBDHN Cc1ccc(CNC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000068803197 524581188 /nfs/dbraw/zinc/58/11/88/524581188.db2.gz BSUTYJSGTIZSIZ-AWEZNQCLSA-N 0 3 292.383 1.239 20 5 CDBDHN Cc1ccc([C@@H](C)N[C@@H]2CCC(=O)NC2)cc1[N+](=O)[O-] ZINC000111018283 525744280 /nfs/dbraw/zinc/74/42/80/525744280.db2.gz HDNWORNYPLTISM-ZYHUDNBSSA-N 0 3 277.324 1.832 20 5 CDBDHN CC[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268827832 535808184 /nfs/dbraw/zinc/80/81/84/535808184.db2.gz LSIAVEBYXHRECL-DGCLKSJQSA-N 0 3 277.324 1.866 20 5 CDBDHN CCC(=O)Nc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813114597 617349214 /nfs/dbraw/zinc/34/92/14/617349214.db2.gz UCYAJBFBEDEZAE-SECBINFHSA-N 0 3 280.280 1.857 20 5 CDBDHN CN1C[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000893934235 618192558 /nfs/dbraw/zinc/19/25/58/618192558.db2.gz GGYZTUAISVYMBH-NOZJJQNGSA-N 0 3 265.288 1.874 20 5 CDBDHN COc1c(O)ccc(CNC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000892432391 618196312 /nfs/dbraw/zinc/19/63/12/618196312.db2.gz OHAHVBYNWZJSCM-JTQLQIEISA-N 0 3 282.296 1.578 20 5 CDBDHN CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000910287420 628963549 /nfs/dbraw/zinc/96/35/49/628963549.db2.gz GUPBPFYZSXHMEI-SNVBAGLBSA-N 0 3 280.328 1.479 20 5 CDBDHN C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000401270064 1186409169 /nfs/dbraw/zinc/40/91/69/1186409169.db2.gz UITSEDFXDVWOCQ-GARJFASQSA-N 0 3 277.324 1.806 20 5 CDBDHN