smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000246801736 352384368 /nfs/dbraw/zinc/38/43/68/352384368.db2.gz BVCQHPNHVUFOKV-QWRGUYRKSA-N 1 1 293.327 0.486 10 5 CCBEMO O=[N+]([O-])c1cnn(CCN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000248334499 352434923 /nfs/dbraw/zinc/43/49/23/352434923.db2.gz GDTCBLBZQRNVDC-LBPRGKRZSA-N 1 1 279.344 0.961 10 5 CCBEMO CCNC(=O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000035142028 172008831 /nfs/dbraw/zinc/00/88/31/172008831.db2.gz URVKXZDAYQZFRI-UHFFFAOYSA-N 1 1 267.285 0.829 10 5 CCBEMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](C2CC2)CC1 ZINC000149006465 527370529 /nfs/dbraw/zinc/37/05/29/527370529.db2.gz GTMOPQYYQVURTF-UHFFFAOYSA-N 1 1 293.327 0.488 10 5 CCBEMO CCc1nn(C)c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000091741751 349474049 /nfs/dbraw/zinc/47/40/49/349474049.db2.gz CZLSDRFQWIRFPU-WDEREUQCSA-N 1 1 295.343 0.410 10 5 CCBEMO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1F ZINC000283243250 353493820 /nfs/dbraw/zinc/49/38/20/353493820.db2.gz UXKGTUMTISTPHC-ZJUUUORDSA-N 1 1 270.260 0.661 10 5 CCBEMO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1F ZINC000283243250 353493824 /nfs/dbraw/zinc/49/38/24/353493824.db2.gz UXKGTUMTISTPHC-ZJUUUORDSA-N 1 1 270.260 0.661 10 5 CCBEMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1[NH3+] ZINC000035347120 172140610 /nfs/dbraw/zinc/14/06/10/172140610.db2.gz SWYSFUQECZMHJZ-SNVBAGLBSA-N 1 1 285.325 0.973 10 5 CCBEMO C[N@H+]1CCO[C@@H]2CCN(c3ncccc3[N+](=O)[O-])C[C@@H]21 ZINC000285051865 290088207 /nfs/dbraw/zinc/08/82/07/290088207.db2.gz OGBPYLBLCLWLMC-NWDGAFQWSA-N 1 1 278.312 0.899 10 5 CCBEMO Cn1cnc([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000284521270 303021021 /nfs/dbraw/zinc/02/10/21/303021021.db2.gz KCRLPRRRPFSKCZ-NXEZZACHSA-N 1 1 281.316 0.238 10 5 CCBEMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000381355602 336060286 /nfs/dbraw/zinc/06/02/86/336060286.db2.gz FUZFKGPPKXSINY-SKDRFNHKSA-N 1 1 279.296 0.588 10 5 CCBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000246801719 352384342 /nfs/dbraw/zinc/38/43/42/352384342.db2.gz BVCQHPNHVUFOKV-MNOVXSKESA-N 1 1 293.327 0.486 10 5 CCBEMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000179171928 189174434 /nfs/dbraw/zinc/17/44/34/189174434.db2.gz VVJATWHTZMZOHH-VXGBXAGGSA-N 1 1 252.270 0.522 10 5 CCBEMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179169908 189174509 /nfs/dbraw/zinc/17/45/09/189174509.db2.gz WCGIMIKQLRVZRF-GHMZBOCLSA-N 1 1 252.270 0.522 10 5 CCBEMO Cc1c(C[N@H+]2C[C@H](O)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000179175430 189175111 /nfs/dbraw/zinc/17/51/11/189175111.db2.gz HGZAKFMISLARBX-VXGBXAGGSA-N 1 1 266.297 0.831 10 5 CCBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230696186 389159430 /nfs/dbraw/zinc/15/94/30/389159430.db2.gz OTYPOVQSUHNPFQ-MRVPVSSYSA-N 1 1 279.300 0.348 10 5 CCBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000230696186 389159433 /nfs/dbraw/zinc/15/94/33/389159433.db2.gz OTYPOVQSUHNPFQ-MRVPVSSYSA-N 1 1 279.300 0.348 10 5 CCBEMO C[C@H]1C[N@@H+](C)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000408431736 389350754 /nfs/dbraw/zinc/35/07/54/389350754.db2.gz BGJTZJFICXHGLM-VIFPVBQESA-N 1 1 276.300 0.778 10 5 CCBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285569979 196330795 /nfs/dbraw/zinc/33/07/95/196330795.db2.gz SKWXZAPWERFXBG-RKDXNWHRSA-N 1 1 279.300 0.627 10 5 CCBEMO [NH3+]CCc1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000072236563 176345623 /nfs/dbraw/zinc/34/56/23/176345623.db2.gz XQEJUGVELRPZGG-UHFFFAOYSA-N 1 1 263.257 0.793 10 5 CCBEMO [NH3+]CCc1n[nH]c(COc2cccc([N+](=O)[O-])c2)n1 ZINC000072236563 176345624 /nfs/dbraw/zinc/34/56/24/176345624.db2.gz XQEJUGVELRPZGG-UHFFFAOYSA-N 1 1 263.257 0.793 10 5 CCBEMO [NH3+]CCc1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000072236558 348916912 /nfs/dbraw/zinc/91/69/12/348916912.db2.gz JAAYMRGUDPAZLK-UHFFFAOYSA-N 1 1 263.257 0.793 10 5 CCBEMO [NH3+]CCc1n[nH]c(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000072236558 348916914 /nfs/dbraw/zinc/91/69/14/348916914.db2.gz JAAYMRGUDPAZLK-UHFFFAOYSA-N 1 1 263.257 0.793 10 5 CCBEMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000135680134 350406194 /nfs/dbraw/zinc/40/61/94/350406194.db2.gz PMAGQRROFALUSV-SECBINFHSA-N 1 1 279.300 0.628 10 5 CCBEMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000135680134 350406199 /nfs/dbraw/zinc/40/61/99/350406199.db2.gz PMAGQRROFALUSV-SECBINFHSA-N 1 1 279.300 0.628 10 5 CCBEMO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ncc[nH]2)cc1 ZINC000237970027 352291926 /nfs/dbraw/zinc/29/19/26/352291926.db2.gz RSUXSPGWAXMBRH-WCQYABFASA-N 1 1 292.295 0.502 10 5 CCBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245913241 352341964 /nfs/dbraw/zinc/34/19/64/352341964.db2.gz VTGTZYFDDHVPCR-BDAKNGLRSA-N 1 1 279.300 0.627 10 5 CCBEMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000179171940 189174230 /nfs/dbraw/zinc/17/42/30/189174230.db2.gz VVJATWHTZMZOHH-NEPJUHHUSA-N 1 1 252.270 0.522 10 5 CCBEMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408144348 389828772 /nfs/dbraw/zinc/82/87/72/389828772.db2.gz JKNALNDYDJLERM-ONGXEEELSA-N 1 1 293.327 0.495 10 5 CCBEMO CCc1n[nH]c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000171805715 350935807 /nfs/dbraw/zinc/93/58/07/350935807.db2.gz ZIEMPGGRAKRWBP-SECBINFHSA-N 1 1 293.327 0.801 10 5 CCBEMO CCc1[nH]nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000171805715 350935810 /nfs/dbraw/zinc/93/58/10/350935810.db2.gz ZIEMPGGRAKRWBP-SECBINFHSA-N 1 1 293.327 0.801 10 5 CCBEMO CCc1[nH]nc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000171805715 350935814 /nfs/dbraw/zinc/93/58/14/350935814.db2.gz ZIEMPGGRAKRWBP-SECBINFHSA-N 1 1 293.327 0.801 10 5 CCBEMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000227567750 352054186 /nfs/dbraw/zinc/05/41/86/352054186.db2.gz QKEARVYDRWWUAW-JTQLQIEISA-N 1 1 293.323 0.898 10 5 CCBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247000162 352392668 /nfs/dbraw/zinc/39/26/68/352392668.db2.gz FMLYASRXWMDUHM-MNOVXSKESA-N 1 1 293.327 0.486 10 5 CCBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000157954067 188348707 /nfs/dbraw/zinc/34/87/07/188348707.db2.gz VTGTZYFDDHVPCR-RKDXNWHRSA-N 1 1 279.300 0.627 10 5 CCBEMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000359563316 356844954 /nfs/dbraw/zinc/84/49/54/356844954.db2.gz ZJBKEUZEBVBLIN-MNOVXSKESA-N 1 1 295.343 0.639 10 5 CCBEMO C[N@H+]1CCO[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]21 ZINC000301685136 277132327 /nfs/dbraw/zinc/13/23/27/277132327.db2.gz WPQITLZHACXUPY-MNOVXSKESA-N 1 1 264.285 0.509 10 5 CCBEMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](n3cncn3)C2)n1 ZINC000176231023 351163201 /nfs/dbraw/zinc/16/32/01/351163201.db2.gz OEUDJONQMREMNG-LLVKDONJSA-N 1 1 291.315 0.720 10 5 CCBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408111786 274332552 /nfs/dbraw/zinc/33/25/52/274332552.db2.gz FNOZLGKFZFTSIW-MRVPVSSYSA-N 1 1 252.274 0.699 10 5 CCBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408111786 274332553 /nfs/dbraw/zinc/33/25/53/274332553.db2.gz FNOZLGKFZFTSIW-MRVPVSSYSA-N 1 1 252.274 0.699 10 5 CCBEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000127222082 187290009 /nfs/dbraw/zinc/29/00/09/187290009.db2.gz GCJKXAHXDXLFOU-VIFPVBQESA-N 1 1 281.316 0.874 10 5 CCBEMO C[C@H]([NH2+][C@@H]1CC(=O)NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000103033887 185804368 /nfs/dbraw/zinc/80/43/68/185804368.db2.gz NXLYVKUXUMLHBR-OIBJUYFYSA-N 1 1 263.253 0.661 10 5 CCBEMO C[C@@H]1COC[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176260536 351165892 /nfs/dbraw/zinc/16/58/92/351165892.db2.gz XQAAMHQIYKVEKW-AOOOYVTPSA-N 1 1 254.290 0.901 10 5 CCBEMO C[C@@H]1COC[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176260536 351165897 /nfs/dbraw/zinc/16/58/97/351165897.db2.gz XQAAMHQIYKVEKW-AOOOYVTPSA-N 1 1 254.290 0.901 10 5 CCBEMO COc1cc(N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1N ZINC000146535935 350467155 /nfs/dbraw/zinc/46/71/55/350467155.db2.gz JQVKPPJNOPIWOZ-UHFFFAOYSA-N 1 1 266.301 0.937 10 5 CCBEMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179173642 351260057 /nfs/dbraw/zinc/26/00/57/351260057.db2.gz ZYVQVEPLCZDFTN-MNOVXSKESA-N 1 1 282.296 0.401 10 5 CCBEMO CCOC(=O)[C@@H]([NH3+])[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000217425481 351948062 /nfs/dbraw/zinc/94/80/62/351948062.db2.gz LEIKJGIETYKPRF-QWRGUYRKSA-N 1 1 252.270 0.937 10 5 CCBEMO C[N@H+]1CCO[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596096287 360793128 /nfs/dbraw/zinc/79/31/28/360793128.db2.gz DRQIKWJUJQYVAP-MRVPVSSYSA-N 1 1 268.273 0.438 10 5 CCBEMO C[N@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000284527544 388779101 /nfs/dbraw/zinc/77/91/01/388779101.db2.gz KQUYLPAKCJOTRJ-NEPJUHHUSA-N 1 1 278.312 0.899 10 5 CCBEMO O=[N+]([O-])c1ccnn1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000172503759 637177674 /nfs/dbraw/zinc/17/76/74/637177674.db2.gz RVGUSFORDXJLDR-SNVBAGLBSA-N 1 1 251.290 0.529 10 5 CCBEMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1COCC[NH2+]1 ZINC000088372236 349364795 /nfs/dbraw/zinc/36/47/95/349364795.db2.gz PKEYFVVSKLSEFU-NSHDSACASA-N 1 1 265.269 0.199 10 5 CCBEMO CNS(=O)(=O)C[C@](C)([NH3+])c1cc([N+](=O)[O-])ccc1F ZINC000144521114 350463887 /nfs/dbraw/zinc/46/38/87/350463887.db2.gz XAWFTBLLKNFYHE-JTQLQIEISA-N 1 1 291.304 0.457 10 5 CCBEMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176200101 351160610 /nfs/dbraw/zinc/16/06/10/351160610.db2.gz UZIGIPUSDQSSHD-SNVBAGLBSA-N 1 1 281.316 0.344 10 5 CCBEMO C[N@@H+]1CCO[C@@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192786355 351797724 /nfs/dbraw/zinc/79/77/24/351797724.db2.gz AEYXWXPOKCIITQ-JTQLQIEISA-N 1 1 266.301 0.920 10 5 CCBEMO C[N@H+]1CCO[C@@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192786355 351797729 /nfs/dbraw/zinc/79/77/29/351797729.db2.gz AEYXWXPOKCIITQ-JTQLQIEISA-N 1 1 266.301 0.920 10 5 CCBEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408111787 357923350 /nfs/dbraw/zinc/92/33/50/357923350.db2.gz FNOZLGKFZFTSIW-QMMMGPOBSA-N 1 1 252.274 0.699 10 5 CCBEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000408111787 357923353 /nfs/dbraw/zinc/92/33/53/357923353.db2.gz FNOZLGKFZFTSIW-QMMMGPOBSA-N 1 1 252.274 0.699 10 5 CCBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285569974 388794551 /nfs/dbraw/zinc/79/45/51/388794551.db2.gz SKWXZAPWERFXBG-BDAKNGLRSA-N 1 1 279.300 0.627 10 5 CCBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000122396421 389151260 /nfs/dbraw/zinc/15/12/60/389151260.db2.gz YYPACYTYFQNENX-VHSXEESVSA-N 1 1 293.327 0.637 10 5 CCBEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408051597 389822302 /nfs/dbraw/zinc/82/23/02/389822302.db2.gz IKRYXVVMDNJVMD-QMMMGPOBSA-N 1 1 267.289 0.104 10 5 CCBEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408051597 389822306 /nfs/dbraw/zinc/82/23/06/389822306.db2.gz IKRYXVVMDNJVMD-QMMMGPOBSA-N 1 1 267.289 0.104 10 5 CCBEMO O=[N+]([O-])c1ccn(CCN2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000176234740 351163182 /nfs/dbraw/zinc/16/31/82/351163182.db2.gz KTQBPSDTAHTUQD-LLVKDONJSA-N 1 1 265.317 0.571 10 5 CCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195339209 351911089 /nfs/dbraw/zinc/91/10/89/351911089.db2.gz LPOSKGHSGXBJAP-LLVKDONJSA-N 1 1 293.327 0.406 10 5 CCBEMO NC(=O)c1ccc(C[N@H+]2CC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000227567753 352054794 /nfs/dbraw/zinc/05/47/94/352054794.db2.gz QKEARVYDRWWUAW-SNVBAGLBSA-N 1 1 293.323 0.898 10 5 CCBEMO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C[N@H+]1C ZINC000408071023 357902496 /nfs/dbraw/zinc/90/24/96/357902496.db2.gz OSGNVSZCJUWCET-ZJUUUORDSA-N 1 1 267.333 0.853 10 5 CCBEMO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000408087215 357913259 /nfs/dbraw/zinc/91/32/59/357913259.db2.gz AODPYDMRTXEFKM-VIFPVBQESA-N 1 1 264.285 0.843 10 5 CCBEMO Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000301660536 389056285 /nfs/dbraw/zinc/05/62/85/389056285.db2.gz MMTKTNRGRMWIAC-VXGBXAGGSA-N 1 1 278.312 0.817 10 5 CCBEMO O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000021809035 171328507 /nfs/dbraw/zinc/32/85/07/171328507.db2.gz DRIXQBAWYZJDHP-UHFFFAOYSA-N 1 1 289.288 0.328 10 5 CCBEMO NC(=O)[C@]1(O)CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000284976185 196169465 /nfs/dbraw/zinc/16/94/65/196169465.db2.gz XGFQLLDZGWXARX-ZDUSSCGKSA-N 1 1 279.296 0.407 10 5 CCBEMO CN(C)c1[nH]cnc(=NN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000040608371 174353129 /nfs/dbraw/zinc/35/31/29/174353129.db2.gz RKZPCEAHIGGQGN-UHFFFAOYSA-N 1 1 281.320 0.025 10 5 CCBEMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1COCC[NH2+]1 ZINC000088372237 349364825 /nfs/dbraw/zinc/36/48/25/349364825.db2.gz PKEYFVVSKLSEFU-LLVKDONJSA-N 1 1 265.269 0.199 10 5 CCBEMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195053912 351895651 /nfs/dbraw/zinc/89/56/51/351895651.db2.gz KTAXWJKMKJTBAV-NSHDSACASA-N 1 1 293.327 0.488 10 5 CCBEMO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179169922 189174221 /nfs/dbraw/zinc/17/42/21/189174221.db2.gz WCGIMIKQLRVZRF-MNOVXSKESA-N 1 1 252.270 0.522 10 5 CCBEMO Cc1nn(C)c(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000408027694 389820351 /nfs/dbraw/zinc/82/03/51/389820351.db2.gz OUEQJGUGCGGKPN-GHMZBOCLSA-N 1 1 295.343 0.546 10 5 CCBEMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000285284136 196240090 /nfs/dbraw/zinc/24/00/90/196240090.db2.gz FVKVZJFWHXPFES-QMMMGPOBSA-N 1 1 265.273 0.238 10 5 CCBEMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC000301677108 277131481 /nfs/dbraw/zinc/13/14/81/277131481.db2.gz SUKZDDPSNNCOFY-MNOVXSKESA-N 1 1 264.285 0.509 10 5 CCBEMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000359972620 232123225 /nfs/dbraw/zinc/12/32/25/232123225.db2.gz GGOWKARCKUIXEF-VXGBXAGGSA-N 1 1 266.297 0.831 10 5 CCBEMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000135680161 350406538 /nfs/dbraw/zinc/40/65/38/350406538.db2.gz PMAGQRROFALUSV-VIFPVBQESA-N 1 1 279.300 0.628 10 5 CCBEMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[N@H+]2CCCC[C@H]2C1 ZINC000135680161 350406540 /nfs/dbraw/zinc/40/65/40/350406540.db2.gz PMAGQRROFALUSV-VIFPVBQESA-N 1 1 279.300 0.628 10 5 CCBEMO O=[N+]([O-])c1ccc(CN2CC[NH+](CCO)CC2)nc1 ZINC000217661269 351949971 /nfs/dbraw/zinc/94/99/71/351949971.db2.gz ZNEZIFDLPOEHJA-UHFFFAOYSA-N 1 1 266.301 0.100 10 5 CCBEMO O=[N+]([O-])c1ccn(CCN2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000248371808 352436029 /nfs/dbraw/zinc/43/60/29/352436029.db2.gz ZCQDJCRJWRLFLX-LBPRGKRZSA-N 1 1 279.344 0.961 10 5 CCBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408113532 357924306 /nfs/dbraw/zinc/92/43/06/357924306.db2.gz SWGKCICTNRMVBM-SNVBAGLBSA-N 1 1 295.343 0.689 10 5 CCBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000408113532 357924310 /nfs/dbraw/zinc/92/43/10/357924310.db2.gz SWGKCICTNRMVBM-SNVBAGLBSA-N 1 1 295.343 0.689 10 5 CCBEMO CC[N@@H+]1CCO[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596115613 360800039 /nfs/dbraw/zinc/80/00/39/360800039.db2.gz DLOOGOUQEPPSIK-VIFPVBQESA-N 1 1 282.300 0.828 10 5 CCBEMO CC[N@H+]1CCO[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596115613 360800045 /nfs/dbraw/zinc/80/00/45/360800045.db2.gz DLOOGOUQEPPSIK-VIFPVBQESA-N 1 1 282.300 0.828 10 5 CCBEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000408152086 389829439 /nfs/dbraw/zinc/82/94/39/389829439.db2.gz VLOAJDJBPFPWNR-VIFPVBQESA-N 1 1 278.312 0.953 10 5 CCBEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000408152086 389829440 /nfs/dbraw/zinc/82/94/40/389829440.db2.gz VLOAJDJBPFPWNR-VIFPVBQESA-N 1 1 278.312 0.953 10 5 CCBEMO Cn1cnc([N+](=O)[O-])c1N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000284521273 303020975 /nfs/dbraw/zinc/02/09/75/303020975.db2.gz KCRLPRRRPFSKCZ-UWVGGRQHSA-N 1 1 281.316 0.238 10 5 CCBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174862192 351107878 /nfs/dbraw/zinc/10/78/78/351107878.db2.gz ZVQXJLBEVUQECW-VXGBXAGGSA-N 1 1 279.344 0.960 10 5 CCBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCn1ccc([N+](=O)[O-])n1 ZINC000246112253 352348531 /nfs/dbraw/zinc/34/85/31/352348531.db2.gz CDYCICZZBPHRRW-RYUDHWBXSA-N 1 1 279.344 0.960 10 5 CCBEMO Cc1n[nH]c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000299537424 354025201 /nfs/dbraw/zinc/02/52/01/354025201.db2.gz GGZOPHYFBIQJHJ-VIFPVBQESA-N 1 1 279.300 0.547 10 5 CCBEMO Cc1[nH]nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000299537424 354025204 /nfs/dbraw/zinc/02/52/04/354025204.db2.gz GGZOPHYFBIQJHJ-VIFPVBQESA-N 1 1 279.300 0.547 10 5 CCBEMO Cc1[nH]nc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000299537424 354025208 /nfs/dbraw/zinc/02/52/08/354025208.db2.gz GGZOPHYFBIQJHJ-VIFPVBQESA-N 1 1 279.300 0.547 10 5 CCBEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000246066884 285001949 /nfs/dbraw/zinc/00/19/49/285001949.db2.gz YYPACYTYFQNENX-UWVGGRQHSA-N 1 1 293.327 0.637 10 5 CCBEMO C[NH+]1CCN(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006126010 170178009 /nfs/dbraw/zinc/17/80/09/170178009.db2.gz SIBLSEQWXRBWAJ-QPJJXVBHSA-N 1 1 290.323 0.887 10 5 CCBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408069673 274332869 /nfs/dbraw/zinc/33/28/69/274332869.db2.gz FJOGXXHZSZGBTR-SSDOTTSWSA-N 1 1 253.262 0.094 10 5 CCBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408069673 274332870 /nfs/dbraw/zinc/33/28/70/274332870.db2.gz FJOGXXHZSZGBTR-SSDOTTSWSA-N 1 1 253.262 0.094 10 5 CCBEMO CNS(=O)(=O)C[C@@](C)([NH3+])c1cc([N+](=O)[O-])ccc1F ZINC000222082465 351981298 /nfs/dbraw/zinc/98/12/98/351981298.db2.gz XAWFTBLLKNFYHE-SNVBAGLBSA-N 1 1 291.304 0.457 10 5 CCBEMO C[C@H]1C[N@@H+](C)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000408306552 358025091 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C[C@H]1C[N@H+]2CCC[C@H]2CN1Cn1cc([N+](=O)[O-])cn1 ZINC000247147958 649703877 /nfs/dbraw/zinc/70/38/77/649703877.db2.gz RPZWMRSDDUCCJV-QWRGUYRKSA-N 1 1 265.317 0.917 10 5 CCBEMO COC(=O)[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000250831489 649792601 /nfs/dbraw/zinc/79/26/01/649792601.db2.gz ABSSEJNTGMZFJX-KOLCDFICSA-N 1 1 296.327 0.841 10 5 CCBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](CCO)C1 ZINC000124306580 350094020 /nfs/dbraw/zinc/09/40/20/350094020.db2.gz DIRUABYJVNWOGF-LLVKDONJSA-N 1 1 268.317 0.804 10 5 CCBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000174847496 351106852 /nfs/dbraw/zinc/10/68/52/351106852.db2.gz OPJPINDRXWBAIE-NSHDSACASA-N 1 1 291.315 0.720 10 5 CCBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCn1cc([N+](=O)[O-])cn1 ZINC000174862205 351107624 /nfs/dbraw/zinc/10/76/24/351107624.db2.gz ZVQXJLBEVUQECW-NWDGAFQWSA-N 1 1 279.344 0.960 10 5 CCBEMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195328786 351909861 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CCBEMO COC(=O)[C@@H]([NH3+])Cc1cc([N+](=O)[O-])ccc1OC ZINC000069553526 348852028 /nfs/dbraw/zinc/85/20/28/348852028.db2.gz SFDZAKRODYRCGY-VIFPVBQESA-N 1 1 254.242 0.646 10 5 CCBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000172060137 350955346 /nfs/dbraw/zinc/95/53/46/350955346.db2.gz FMLYASRXWMDUHM-WDEREUQCSA-N 1 1 293.327 0.486 10 5 CCBEMO C[N@@H+]1CCO[C@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192786338 351797836 /nfs/dbraw/zinc/79/78/36/351797836.db2.gz AEYXWXPOKCIITQ-SNVBAGLBSA-N 1 1 266.301 0.920 10 5 CCBEMO C[N@H+]1CCO[C@H](CNc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192786338 351797840 /nfs/dbraw/zinc/79/78/40/351797840.db2.gz AEYXWXPOKCIITQ-SNVBAGLBSA-N 1 1 266.301 0.920 10 5 CCBEMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195321364 351910133 /nfs/dbraw/zinc/91/01/33/351910133.db2.gz BHTWTQAWASHIPI-SECBINFHSA-N 1 1 292.295 0.616 10 5 CCBEMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195339217 351910657 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279.300 0.547 10 5 CCBEMO Cc1[nH]nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000299537421 354025912 /nfs/dbraw/zinc/02/59/12/354025912.db2.gz GGZOPHYFBIQJHJ-SECBINFHSA-N 1 1 279.300 0.547 10 5 CCBEMO Cc1[nH]nc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000299537421 354025914 /nfs/dbraw/zinc/02/59/14/354025914.db2.gz GGZOPHYFBIQJHJ-SECBINFHSA-N 1 1 279.300 0.547 10 5 CCBEMO C[N@H+]1CC[C@@H]2OCCN(c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284540175 277154815 /nfs/dbraw/zinc/15/48/15/277154815.db2.gz LQQCLHYCJXZYED-NEPJUHHUSA-N 1 1 278.312 0.899 10 5 CCBEMO Cc1n[nH]c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000264961061 352611089 /nfs/dbraw/zinc/61/10/89/352611089.db2.gz NKUJDIYRWJFCKX-WPRPVWTQSA-N 1 1 293.327 0.935 10 5 CCBEMO Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000264961061 352611092 /nfs/dbraw/zinc/61/10/92/352611092.db2.gz NKUJDIYRWJFCKX-WPRPVWTQSA-N 1 1 293.327 0.935 10 5 CCBEMO Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000264961061 352611093 /nfs/dbraw/zinc/61/10/93/352611093.db2.gz NKUJDIYRWJFCKX-WPRPVWTQSA-N 1 1 293.327 0.935 10 5 CCBEMO C[N@H+]1CCO[C@H]2CCN(c3ncccc3[N+](=O)[O-])C[C@@H]21 ZINC000285051869 283031875 /nfs/dbraw/zinc/03/18/75/283031875.db2.gz OGBPYLBLCLWLMC-RYUDHWBXSA-N 1 1 278.312 0.899 10 5 CCBEMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000284815296 196136801 /nfs/dbraw/zinc/13/68/01/196136801.db2.gz LGNGWAPZKXRVBF-CYBMUJFWSA-N 1 1 279.296 0.407 10 5 CCBEMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000191804996 227179230 /nfs/dbraw/zinc/17/92/30/227179230.db2.gz FFKVGJXALWSETG-JTQLQIEISA-N 1 1 293.327 0.731 10 5 CCBEMO O=[N+]([O-])c1cnn(CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246894354 649693698 /nfs/dbraw/zinc/69/36/98/649693698.db2.gz BUBXXQJHWKXQPI-JTQLQIEISA-N 1 1 251.290 0.529 10 5 CCBEMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](CCO)C1 ZINC000124306829 350094549 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CCBEMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000195321373 296187262 /nfs/dbraw/zinc/18/72/62/296187262.db2.gz BHTWTQAWASHIPI-VIFPVBQESA-N 1 1 292.295 0.616 10 5 CCBEMO COCC[N@H+]1CCN(Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000117323084 616374503 /nfs/dbraw/zinc/37/45/03/616374503.db2.gz QOROWTFXZRIBIK-LLVKDONJSA-N 1 1 283.332 0.401 10 5 CCBEMO O=[N+]([O-])c1cnn(CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000014186991 645010275 /nfs/dbraw/zinc/01/02/75/645010275.db2.gz BUBXXQJHWKXQPI-SNVBAGLBSA-N 1 1 251.290 0.529 10 5 CCBEMO O=[N+]([O-])c1ccn(CCN2CCC[N@H+](C3CC3)CC2)n1 ZINC000176245810 351163781 /nfs/dbraw/zinc/16/37/81/351163781.db2.gz DSXKZJMHFLRLGH-UHFFFAOYSA-N 1 1 279.344 0.961 10 5 CCBEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@@H]2C1 ZINC000408063401 357897479 /nfs/dbraw/zinc/89/74/79/357897479.db2.gz RBJIMKKZHBPMPF-NEPJUHHUSA-N 1 1 294.311 0.468 10 5 CCBEMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1c([N+](=O)[O-])ncn1C ZINC000408071020 357902468 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CCBEMO Cc1nn(C)c(C(=O)N2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000408112218 357923412 /nfs/dbraw/zinc/92/34/12/357923412.db2.gz JOWOUYCWQDYTPO-MRVPVSSYSA-N 1 1 281.316 0.413 10 5 CCBEMO C[C@@H](O)C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000176232392 351162852 /nfs/dbraw/zinc/16/28/52/351162852.db2.gz KSSTXGAEVMDTML-NWDGAFQWSA-N 1 1 297.359 0.178 10 5 CCBEMO C[C@@H]1COC[C@@H](C)[NH+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176260568 351165713 /nfs/dbraw/zinc/16/57/13/351165713.db2.gz XQAAMHQIYKVEKW-NXEZZACHSA-N 1 1 254.290 0.901 10 5 CCBEMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195053898 351895573 /nfs/dbraw/zinc/89/55/73/351895573.db2.gz KTAXWJKMKJTBAV-LLVKDONJSA-N 1 1 293.327 0.488 10 5 CCBEMO Cc1c(CNC(=O)[C@@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000231856651 352137441 /nfs/dbraw/zinc/13/74/41/352137441.db2.gz LOSZTJFDKJYINE-NSHDSACASA-N 1 1 279.296 0.508 10 5 CCBEMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000284843534 196142839 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Cc1nn(C)c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1[N+](=O)[O-] ZINC000301654426 389055901 /nfs/dbraw/zinc/05/59/01/389055901.db2.gz KSTCXGOKZCMOGY-ZJUUUORDSA-N 1 1 281.316 0.156 10 5 CCBEMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@H]21 ZINC000471715373 277124600 /nfs/dbraw/zinc/12/46/00/277124600.db2.gz MAHQITJNMXZAHC-GHMZBOCLSA-N 1 1 264.285 0.509 10 5 CCBEMO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000408339301 281014777 /nfs/dbraw/zinc/01/47/77/281014777.db2.gz BRJNHFQWZAEEMY-RYUDHWBXSA-N 1 1 278.312 0.817 10 5 CCBEMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000359972617 533962319 /nfs/dbraw/zinc/96/23/19/533962319.db2.gz GGOWKARCKUIXEF-NEPJUHHUSA-N 1 1 266.297 0.831 10 5 CCBEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cn1nccc1[N+](=O)[O-] ZINC000153231755 637688456 /nfs/dbraw/zinc/68/84/56/637688456.db2.gz QEVPSGJUBLYKGN-GHMZBOCLSA-N 1 1 265.317 0.917 10 5 CCBEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cn1nccc1[N+](=O)[O-] ZINC000247128292 649703355 /nfs/dbraw/zinc/70/33/55/649703355.db2.gz QEVPSGJUBLYKGN-MNOVXSKESA-N 1 1 265.317 0.917 10 5 CCBEMO Cc1cc(N2CC[NH+]([C@@H](C)CO)CC2)ncc1[N+](=O)[O-] ZINC000080600960 349221489 /nfs/dbraw/zinc/22/14/89/349221489.db2.gz GEZQQSFOFOZLMG-NSHDSACASA-N 1 1 280.328 0.801 10 5 CCBEMO Cc1cc(N2CC[NH+]([C@H](C)CO)CC2)ncc1[N+](=O)[O-] ZINC000080600965 349221965 /nfs/dbraw/zinc/22/19/65/349221965.db2.gz GEZQQSFOFOZLMG-LLVKDONJSA-N 1 1 280.328 0.801 10 5 CCBEMO CCc1n[nH]c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000171805719 350935500 /nfs/dbraw/zinc/93/55/00/350935500.db2.gz ZIEMPGGRAKRWBP-VIFPVBQESA-N 1 1 293.327 0.801 10 5 CCBEMO CCc1[nH]nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000171805719 350935503 /nfs/dbraw/zinc/93/55/03/350935503.db2.gz ZIEMPGGRAKRWBP-VIFPVBQESA-N 1 1 293.327 0.801 10 5 CCBEMO CCc1[nH]nc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000171805719 350935508 /nfs/dbraw/zinc/93/55/08/350935508.db2.gz ZIEMPGGRAKRWBP-VIFPVBQESA-N 1 1 293.327 0.801 10 5 CCBEMO Cn1cnc([N+](=O)[O-])c1N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285127695 353558047 /nfs/dbraw/zinc/55/80/47/353558047.db2.gz RYVMJYDPHKKZHY-NXEZZACHSA-N 1 1 281.316 0.238 10 5 CCBEMO CCn1nc(C)c([N+](=O)[O-])c1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000359563318 356844815 /nfs/dbraw/zinc/84/48/15/356844815.db2.gz ZJBKEUZEBVBLIN-QWRGUYRKSA-N 1 1 295.343 0.639 10 5 CCBEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285569976 388794441 /nfs/dbraw/zinc/79/44/41/388794441.db2.gz SKWXZAPWERFXBG-DTWKUNHWSA-N 1 1 279.300 0.627 10 5 CCBEMO Cc1nn(C)c(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000408027697 389820374 /nfs/dbraw/zinc/82/03/74/389820374.db2.gz OUEQJGUGCGGKPN-QWRGUYRKSA-N 1 1 295.343 0.546 10 5 CCBEMO COC(=O)[C@H]([NH3+])Cc1cc([N+](=O)[O-])ccc1OC ZINC000069553529 348852056 /nfs/dbraw/zinc/85/20/56/348852056.db2.gz SFDZAKRODYRCGY-SECBINFHSA-N 1 1 254.242 0.646 10 5 CCBEMO Cn1cnc([N+](=O)[O-])c1N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000284521276 353555680 /nfs/dbraw/zinc/55/56/80/353555680.db2.gz KCRLPRRRPFSKCZ-VHSXEESVSA-N 1 1 281.316 0.238 10 5 CCBEMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000153169789 389296150 /nfs/dbraw/zinc/29/61/50/389296150.db2.gz SUKZDDPSNNCOFY-WDEREUQCSA-N 1 1 264.285 0.509 10 5 CCBEMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)[C@H]2C1 ZINC000408063408 277152221 /nfs/dbraw/zinc/15/22/21/277152221.db2.gz RBJIMKKZHBPMPF-RYUDHWBXSA-N 1 1 294.311 0.468 10 5 CCBEMO C[NH2+]CCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049630100 522017338 /nfs/dbraw/zinc/01/73/38/522017338.db2.gz NBUBELDVLXPQIF-UHFFFAOYSA-N 1 1 259.287 0.556 10 5 CCBEMO CCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000074258560 348983177 /nfs/dbraw/zinc/98/31/77/348983177.db2.gz TXKHULFXERKFPR-UHFFFAOYSA-N 1 1 280.332 0.889 10 5 CCBEMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000174847510 351106735 /nfs/dbraw/zinc/10/67/35/351106735.db2.gz OPJPINDRXWBAIE-LLVKDONJSA-N 1 1 291.315 0.720 10 5 CCBEMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408069674 357901245 /nfs/dbraw/zinc/90/12/45/357901245.db2.gz FJOGXXHZSZGBTR-ZETCQYMHSA-N 1 1 253.262 0.094 10 5 CCBEMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000408069674 357901249 /nfs/dbraw/zinc/90/12/49/357901249.db2.gz FJOGXXHZSZGBTR-ZETCQYMHSA-N 1 1 253.262 0.094 10 5 CCBEMO Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ncc1[N+](=O)[O-] ZINC000301660533 389056083 /nfs/dbraw/zinc/05/60/83/389056083.db2.gz MMTKTNRGRMWIAC-NWDGAFQWSA-N 1 1 278.312 0.817 10 5 CCBEMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1[NH3+] ZINC000021037968 171292727 /nfs/dbraw/zinc/29/27/27/171292727.db2.gz FYDPBDVSSUKPQH-NSHDSACASA-N 1 1 285.325 0.973 10 5 CCBEMO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+](CCO)CC1 ZINC000052121440 348505332 /nfs/dbraw/zinc/50/53/32/348505332.db2.gz ULGUOZBMPGJMSG-UHFFFAOYSA-N 1 1 269.276 0.848 10 5 CCBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000153887194 188109860 /nfs/dbraw/zinc/10/98/60/188109860.db2.gz XRTJPDKMZLXTIK-BDAKNGLRSA-N 1 1 281.316 0.776 10 5 CCBEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000153887194 188109863 /nfs/dbraw/zinc/10/98/63/188109863.db2.gz XRTJPDKMZLXTIK-BDAKNGLRSA-N 1 1 281.316 0.776 10 5 CCBEMO CCc1nn(C)c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000091741750 349474025 /nfs/dbraw/zinc/47/40/25/349474025.db2.gz CZLSDRFQWIRFPU-GHMZBOCLSA-N 1 1 295.343 0.410 10 5 CCBEMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408051594 357890056 /nfs/dbraw/zinc/89/00/56/357890056.db2.gz IKRYXVVMDNJVMD-MRVPVSSYSA-N 1 1 267.289 0.104 10 5 CCBEMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408051594 357890060 /nfs/dbraw/zinc/89/00/60/357890060.db2.gz IKRYXVVMDNJVMD-MRVPVSSYSA-N 1 1 267.289 0.104 10 5 CCBEMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000185170308 388790535 /nfs/dbraw/zinc/79/05/35/388790535.db2.gz CCNXQMJAQNTGAF-CHWSQXEVSA-N 1 1 296.323 0.791 10 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/nfs/dbraw/zinc/17/49/19/189174919.db2.gz XUISKSFLCWZTHS-VXGBXAGGSA-N 1 1 252.270 0.522 10 5 CCBEMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000185137264 388788596 /nfs/dbraw/zinc/78/85/96/388788596.db2.gz ARXXJKJDTBXYHJ-NEPJUHHUSA-N 1 1 282.296 0.401 10 5 CCBEMO C[N@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC000408027864 389820234 /nfs/dbraw/zinc/82/02/34/389820234.db2.gz PJIQSYIVIQCUOS-NEPJUHHUSA-N 1 1 278.312 0.899 10 5 CCBEMO O=C(Nc1c(O)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000039073142 174162267 /nfs/dbraw/zinc/16/22/67/174162267.db2.gz BUTNHYVHZIHMDJ-ZETCQYMHSA-N 1 1 251.242 0.991 10 5 CCBEMO CC(=O)N[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176211018 351161257 /nfs/dbraw/zinc/16/12/57/351161257.db2.gz LOJNHNQSADVYFR-NSHDSACASA-N 1 1 281.316 0.392 10 5 CCBEMO Cc1n[nH]c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000264961053 352610995 /nfs/dbraw/zinc/61/09/95/352610995.db2.gz NKUJDIYRWJFCKX-SCZZXKLOSA-N 1 1 293.327 0.935 10 5 CCBEMO Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000264961053 352610997 /nfs/dbraw/zinc/61/09/97/352610997.db2.gz NKUJDIYRWJFCKX-SCZZXKLOSA-N 1 1 293.327 0.935 10 5 CCBEMO Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000264961053 352610998 /nfs/dbraw/zinc/61/09/98/352610998.db2.gz NKUJDIYRWJFCKX-SCZZXKLOSA-N 1 1 293.327 0.935 10 5 CCBEMO Cc1n[nH]c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000408025397 357872620 /nfs/dbraw/zinc/87/26/20/357872620.db2.gz QZDIAFQPNUUWPJ-JTQLQIEISA-N 1 1 293.327 0.937 10 5 CCBEMO Cc1n[nH]c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000408025397 357872624 /nfs/dbraw/zinc/87/26/24/357872624.db2.gz QZDIAFQPNUUWPJ-JTQLQIEISA-N 1 1 293.327 0.937 10 5 CCBEMO Cn1cnc([N+](=O)[O-])c1CN1CC[N@@H+](C)CC1(C)C ZINC000408055523 357892414 /nfs/dbraw/zinc/89/24/14/357892414.db2.gz VJTRFCPMHDWFBM-UHFFFAOYSA-N 1 1 267.333 0.854 10 5 CCBEMO Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ncc1[N+](=O)[O-] ZINC000301660531 389056150 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