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)c1ccc(CN2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000305721129 519836097 /nfs/dbraw/zinc/83/60/97/519836097.db2.gz BJUWHHVJRXJDKK-ZDUSSCGKSA-N 0 1 278.352 2.675 20 5 CFBDMN O=C([O-])[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000426805865 534516681 /nfs/dbraw/zinc/51/66/81/534516681.db2.gz GNSPJIVKFDZRJQ-LBPRGKRZSA-N 0 1 292.316 2.572 20 5 CFBDMN CCC[C@H](NCc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341033274 521162188 /nfs/dbraw/zinc/16/21/88/521162188.db2.gz FURCRFPVHYHNSP-ZDUSSCGKSA-N 0 1 288.351 2.959 20 5 CFBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000310874459 525000280 /nfs/dbraw/zinc/00/02/80/525000280.db2.gz UDMJJIOJPQXRDO-NXEZZACHSA-N 0 1 252.289 2.822 20 5 CFBDMN Cn1c(C(=O)Nc2cccc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000340313971 527044159 /nfs/dbraw/zinc/04/41/59/527044159.db2.gz DYBPUJDALMOMGO-UHFFFAOYSA-N 0 1 295.682 2.545 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@H]2C2CC2)c(Cl)c1 ZINC000230147389 527350598 /nfs/dbraw/zinc/35/05/98/527350598.db2.gz RNFTYCWKEYXJBK-UONOGXRCSA-N 0 1 296.754 2.905 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCC(n3cccn3)CC2)c1 ZINC000365157826 527385961 /nfs/dbraw/zinc/38/59/61/527385961.db2.gz ABPUVPFOVDUVAV-UHFFFAOYSA-N 0 1 286.335 2.628 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000364806830 527386568 /nfs/dbraw/zinc/38/65/68/527386568.db2.gz WSTKUFASPCKHPU-MRXNPFEDSA-N 0 1 290.363 2.986 20 5 CFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCc3ccccc3C2)c1 ZINC000062351277 527394122 /nfs/dbraw/zinc/39/41/22/527394122.db2.gz COCPRXXFTQSDMN-QGZVFWFLSA-N 0 1 298.342 2.687 20 5 CFBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CN(C)C1CCC1 ZINC000744410270 574072780 /nfs/dbraw/zinc/07/27/80/574072780.db2.gz YNXRHZITGVFFSO-UHFFFAOYSA-N 0 1 291.351 2.634 20 5 CFBDMN O=[N+]([O-])c1ccccc1/C=C\CNCc1cccc(F)n1 ZINC000747938906 574221530 /nfs/dbraw/zinc/22/15/30/574221530.db2.gz PZXXRROGFBORPB-XQRVVYSFSA-N 0 1 287.294 2.932 20 5 CFBDMN O=C(OCc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000733694457 574251350 /nfs/dbraw/zinc/25/13/50/574251350.db2.gz MFGZVPCTIGYYDG-UHFFFAOYSA-N 0 1 297.270 2.828 20 5 CFBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000828028844 604795585 /nfs/dbraw/zinc/79/55/85/604795585.db2.gz FCUDKTSIIYKZOB-ZDUSSCGKSA-N 0 1 298.726 2.545 20 5 CFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C)CC1 ZINC000932348537 617679188 /nfs/dbraw/zinc/67/91/88/617679188.db2.gz GNDHEGYWVXCRIR-NWDGAFQWSA-N 0 1 264.325 2.767 20 5 CFBDMN COc1c(O)ccc(CN2CCC[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000891863079 617791210 /nfs/dbraw/zinc/79/12/10/617791210.db2.gz ULOVEZYERZMWBB-QWRGUYRKSA-N 0 1 294.351 2.929 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCCSC[C@H]1C1CC1 ZINC000933913202 617815116 /nfs/dbraw/zinc/81/51/16/617815116.db2.gz RPCDSLQBNRJAQI-ZDUSSCGKSA-N 0 1 293.392 2.707 20 5 CFBDMN COc1c(O)ccc(CN2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000892066274 617934360 /nfs/dbraw/zinc/93/43/60/617934360.db2.gz TUYKISXJSJGUBM-MNOVXSKESA-N 0 1 294.351 2.787 20 5 CFBDMN CC[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(F)F ZINC000845758816 618063297 /nfs/dbraw/zinc/06/32/97/618063297.db2.gz MXFDQNRMRMUMSN-SSDOTTSWSA-N 0 1 276.239 2.761 20 5 CFBDMN CCN1[C@H](C)CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000895099535 618291938 /nfs/dbraw/zinc/29/19/38/618291938.db2.gz IUPWSHXPCDYWID-AOOOYVTPSA-N 0 1 298.774 2.562 20 5 CFBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C)cc1 ZINC000841165163 619261873 /nfs/dbraw/zinc/26/18/73/619261873.db2.gz QDPAUGSZOJGEEA-JHJVBQTASA-N 0 1 263.293 2.655 20 5 CFBDMN CC[C@@H](N[C@H]1CCC1(OC)OC)c1cccc([N+](=O)[O-])c1 ZINC000925229801 620050771 /nfs/dbraw/zinc/05/07/71/620050771.db2.gz INZBUQSWPHWKNF-KGLIPLIRSA-N 0 1 294.351 2.787 20 5 CFBDMN CC(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000897683585 620271182 /nfs/dbraw/zinc/27/11/82/620271182.db2.gz FDZLNMQYDGKCBZ-NHYWBVRUSA-N 0 1 278.352 2.531 20 5 CFBDMN CC(C)c1ccc(CN2C[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000897683585 620271185 /nfs/dbraw/zinc/27/11/85/620271185.db2.gz FDZLNMQYDGKCBZ-NHYWBVRUSA-N 0 1 278.352 2.531 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc([C@H](N)C(C)C)no1 ZINC000041123315 620430580 /nfs/dbraw/zinc/43/05/80/620430580.db2.gz OEYRGJFPYKKRBW-LLVKDONJSA-N 0 1 276.296 2.609 20 5 CFBDMN CCN(CC)[C@@H](CNCC[N+](=O)[O-])c1ccccc1Cl ZINC000899859691 620606433 /nfs/dbraw/zinc/60/64/33/620606433.db2.gz MNKKQUFDCCGLNX-AWEZNQCLSA-N 0 1 299.802 2.589 20 5 CFBDMN O=[N+]([O-])c1cc(F)cc(F)c1OCCN1CCCCC1 ZINC000902696891 621149174 /nfs/dbraw/zinc/14/91/74/621149174.db2.gz KHKXLRTZVDJAEP-UHFFFAOYSA-N 0 1 286.278 2.738 20 5 CFBDMN COc1cc([C@@H](C)NCc2ccn(C)c2)cc([N+](=O)[O-])c1 ZINC000903105824 621255223 /nfs/dbraw/zinc/25/52/23/621255223.db2.gz UTJJKBKYLUSNIZ-LLVKDONJSA-N 0 1 289.335 2.793 20 5 CFBDMN C[C@@H](NCC[C@@H](O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903411466 621365365 /nfs/dbraw/zinc/36/53/65/621365365.db2.gz OJQYNXLIWFNSBQ-NOZJJQNGSA-N 0 1 282.315 2.546 20 5 CFBDMN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000903595801 621404323 /nfs/dbraw/zinc/40/43/23/621404323.db2.gz OQSUTGAVINYVLN-GWCFXTLKSA-N 0 1 280.324 2.526 20 5 CFBDMN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1[N+](=O)[O-] ZINC000903939695 621481739 /nfs/dbraw/zinc/48/17/39/621481739.db2.gz XXYDACIJPBWMTK-DGCLKSJQSA-N 0 1 292.335 2.588 20 5 CFBDMN COC[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000832740174 625503951 /nfs/dbraw/zinc/50/39/51/625503951.db2.gz TWRYBXDNFQYMHM-LBPRGKRZSA-N 0 1 296.342 2.982 20 5 CFBDMN COC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000832744524 625505523 /nfs/dbraw/zinc/50/55/23/625505523.db2.gz DWZQMRCWPQKWQI-LBPRGKRZSA-N 0 1 296.342 2.982 20 5 CFBDMN O=C(Nc1cc(C(F)F)ccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840398871 622565912 /nfs/dbraw/zinc/56/59/12/622565912.db2.gz IDSLTUCUYBGIGX-HZGVNTEJSA-N 0 1 290.653 2.881 20 5 CFBDMN CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Cl)c1 ZINC000840429860 622872086 /nfs/dbraw/zinc/87/20/86/622872086.db2.gz HKDDZQYUAKOURP-BXKDBHETSA-N 0 1 298.726 2.731 20 5 CFBDMN CC(C)C[C@@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000225588806 623045656 /nfs/dbraw/zinc/04/56/56/623045656.db2.gz XHTYNXHOWHBSFU-GFCCVEGCSA-N 0 1 286.759 2.745 20 5 CFBDMN CCC[C@H]1[C@@H](C)CCCN1Cn1nccc1[N+](=O)[O-] ZINC000173388082 623344916 /nfs/dbraw/zinc/34/49/16/623344916.db2.gz IMYUSFVQJGUGGB-RYUDHWBXSA-N 0 1 266.345 2.649 20 5 CFBDMN CC1(C)CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000173438365 623350518 /nfs/dbraw/zinc/35/05/18/623350518.db2.gz ZTHZFHUCTNCDSQ-UHFFFAOYSA-N 0 1 274.324 2.634 20 5 CFBDMN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824635570 623536189 /nfs/dbraw/zinc/53/61/89/623536189.db2.gz IGBQLNBTBVFSOH-DGCLKSJQSA-N 0 1 298.770 2.841 20 5 CFBDMN O=[N+]([O-])CCN[C@H](Cc1ccccc1)c1ccccc1 ZINC000929859946 623977121 /nfs/dbraw/zinc/97/71/21/623977121.db2.gz CMFJERMQMJFOJM-MRXNPFEDSA-N 0 1 270.332 2.837 20 5 CFBDMN CCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837336584 624098416 /nfs/dbraw/zinc/09/84/16/624098416.db2.gz JXALGKZTOGRNER-UHFFFAOYSA-N 0 1 253.254 2.534 20 5 CFBDMN CCCOc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000916854051 624288513 /nfs/dbraw/zinc/28/85/13/624288513.db2.gz WQUFKPBYLYYAEC-UHFFFAOYSA-N 0 1 290.275 2.931 20 5 CFBDMN CCC(F)(F)c1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000828996245 624350896 /nfs/dbraw/zinc/35/08/96/624350896.db2.gz CFRPKLKWDWBZAT-LDYMZIIASA-N 0 1 284.262 2.792 20 5 CFBDMN CC[C@@H]1C[N@@H+](CC)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000829125557 624378202 /nfs/dbraw/zinc/37/82/02/624378202.db2.gz AEFZZZDGDZTFIT-LLVKDONJSA-N 0 1 281.331 2.654 20 5 CFBDMN CC[C@@H]1CN(CC)CCN1c1ccc([N+](=O)[O-])cc1F ZINC000829125557 624378209 /nfs/dbraw/zinc/37/82/09/624378209.db2.gz AEFZZZDGDZTFIT-LLVKDONJSA-N 0 1 281.331 2.654 20 5 CFBDMN C[C@H]1[C@H](c2ccccc2)CCN1Cn1nccc1[N+](=O)[O-] ZINC000175265690 624942601 /nfs/dbraw/zinc/94/26/01/624942601.db2.gz YKSYFVCBESCUFQ-GXTWGEPZSA-N 0 1 286.335 2.627 20 5 CFBDMN C[C@@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000770993620 625963445 /nfs/dbraw/zinc/96/34/45/625963445.db2.gz HDXCOXMCLYKNHA-OPRDCNLKSA-N 0 1 266.297 2.904 20 5 CFBDMN C[C@H](NCc1cnn(CCF)c1)c1cccc([N+](=O)[O-])c1 ZINC000921553495 625985529 /nfs/dbraw/zinc/98/55/29/625985529.db2.gz VBSACHUAZIDUBK-NSHDSACASA-N 0 1 292.314 2.612 20 5 CFBDMN C[C@@H](NCc1cnn2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922540871 626306431 /nfs/dbraw/zinc/30/64/31/626306431.db2.gz MEWJDBIHZVAKSO-LLVKDONJSA-N 0 1 286.335 2.588 20 5 CFBDMN CC/C(C)=C/C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000838044807 626484665 /nfs/dbraw/zinc/48/46/65/626484665.db2.gz QZJTXMCAVRUZEO-RMKNXTFCSA-N 0 1 265.265 2.700 20 5 CFBDMN C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc2ccccc21 ZINC000839454223 626537400 /nfs/dbraw/zinc/53/74/00/626537400.db2.gz FHILLGKKEBABSE-VCTAVGKDSA-N 0 1 284.315 2.682 20 5 CFBDMN C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839508162 626538322 /nfs/dbraw/zinc/53/83/22/626538322.db2.gz DSZKRFKXGAFSCY-MKPLZMMCSA-N 0 1 282.727 2.525 20 5 CFBDMN CCCCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC000839569654 626546948 /nfs/dbraw/zinc/54/69/48/626546948.db2.gz TUNYLMQERIBZII-TZMCWYRMSA-N 0 1 292.335 2.778 20 5 CFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1CC1CCCCC1 ZINC000839605406 626547864 /nfs/dbraw/zinc/54/78/64/626547864.db2.gz WGIIMAIMUFQYAU-BFHYXJOUSA-N 0 1 280.368 2.613 20 5 CFBDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1csc2ccccc21 ZINC000839661667 626550181 /nfs/dbraw/zinc/55/01/81/626550181.db2.gz DRWPAELTLIBVPP-MKPLZMMCSA-N 0 1 290.344 2.744 20 5 CFBDMN C[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839683489 626552248 /nfs/dbraw/zinc/55/22/48/626552248.db2.gz NSDUJOYVZVKZHH-CYZMBNFOSA-N 0 1 268.357 2.517 20 5 CFBDMN Cc1c([C@H](C)NC2COC(C)(C)OC2)cccc1[N+](=O)[O-] ZINC000757698864 626559004 /nfs/dbraw/zinc/55/90/04/626559004.db2.gz ULHAAMBOQAKAMM-NSHDSACASA-N 0 1 294.351 2.705 20 5 CFBDMN CCN1C[C@H](C)N(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000765643667 627152575 /nfs/dbraw/zinc/15/25/75/627152575.db2.gz RDYFRJUDMVWPQO-MNOVXSKESA-N 0 1 281.331 2.653 20 5 CFBDMN CN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCC1 ZINC000777956975 628266983 /nfs/dbraw/zinc/26/69/83/628266983.db2.gz OBQJZANAAHXHRV-UHFFFAOYSA-N 0 1 286.335 2.900 20 5 CFBDMN CCC[C@@H](C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000778752067 628329821 /nfs/dbraw/zinc/32/98/21/628329821.db2.gz OCXNLZUHPBXINP-BDAKNGLRSA-N 0 1 254.286 2.904 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C)[C@@H](C)C1 ZINC000778954476 628341124 /nfs/dbraw/zinc/34/11/24/628341124.db2.gz WZOJUKLBZRPWKB-STQMWFEESA-N 0 1 277.368 2.600 20 5 CFBDMN C[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H]1C ZINC000779274647 628368497 /nfs/dbraw/zinc/36/84/97/628368497.db2.gz QOSZIWBDZNQKGV-YWVKMMECSA-N 0 1 266.297 2.904 20 5 CFBDMN Cc1nn(CN(C)C[C@H]2CC=CCC2)c(C)c1[N+](=O)[O-] ZINC000784006597 628762148 /nfs/dbraw/zinc/76/21/48/628762148.db2.gz AFJSWJLJWLBYFA-ZDUSSCGKSA-N 0 1 278.356 2.654 20 5 CFBDMN Cc1cc(F)ccc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000785151363 628868780 /nfs/dbraw/zinc/86/87/80/628868780.db2.gz PFFOZXBOYGANQI-UHFFFAOYSA-N 0 1 278.239 2.727 20 5 CFBDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000785546593 628893017 /nfs/dbraw/zinc/89/30/17/628893017.db2.gz QRVSWDGCIPEBPQ-JRPNMDOOSA-N 0 1 296.342 2.715 20 5 CFBDMN C[C@H]1CC[C@H](C)N1CC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000785730220 628908384 /nfs/dbraw/zinc/90/83/84/628908384.db2.gz MXZFTDBYAAHOLV-RYUDHWBXSA-N 0 1 292.335 2.511 20 5 CFBDMN C[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789557777 629166670 /nfs/dbraw/zinc/16/66/70/629166670.db2.gz MMDSMCRDZDIGGZ-CYBMUJFWSA-N 0 1 284.743 2.595 20 5 CFBDMN C[C@H](CO)[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423208 634742714 /nfs/dbraw/zinc/74/27/14/634742714.db2.gz WWHNFBLQWJRXLP-RISCZKNCSA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@H](CO)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852424972 634742930 /nfs/dbraw/zinc/74/29/30/634742930.db2.gz HTJFIXHWLQHMGN-BXUZGUMPSA-N 0 1 296.342 2.717 20 5 CFBDMN CCOC(CNC(C)(C)c1ccccc1[N+](=O)[O-])OCC ZINC000795237938 629749841 /nfs/dbraw/zinc/74/98/41/629749841.db2.gz USJIFXKIVWACSA-UHFFFAOYSA-N 0 1 296.367 2.819 20 5 CFBDMN CCN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000796315711 629902717 /nfs/dbraw/zinc/90/27/17/629902717.db2.gz KUZZWJMKNIOJIR-NSHDSACASA-N 0 1 297.786 2.774 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852670010 634802395 /nfs/dbraw/zinc/80/23/95/634802395.db2.gz USEDYPASADVISW-JQWIXIFHSA-N 0 1 296.754 2.717 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]2COC[C@@H]2C1 ZINC000852670010 634802401 /nfs/dbraw/zinc/80/24/01/634802401.db2.gz USEDYPASADVISW-JQWIXIFHSA-N 0 1 296.754 2.717 20 5 CFBDMN CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)C(=O)[O-] ZINC000852734165 634816505 /nfs/dbraw/zinc/81/65/05/634816505.db2.gz FMULOVWNYZDJEG-MRVPVSSYSA-N 0 1 286.715 2.543 20 5 CFBDMN CC(C)(C)SCCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000801938557 630492476 /nfs/dbraw/zinc/49/24/76/630492476.db2.gz GRWDSOLTCYMVBI-UHFFFAOYSA-N 0 1 295.408 2.880 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC12CCCC2 ZINC000837557683 631066033 /nfs/dbraw/zinc/06/60/33/631066033.db2.gz PGGVBFPRKUKHGT-LBPRGKRZSA-N 0 1 291.303 2.924 20 5 CFBDMN CCC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837562433 631067410 /nfs/dbraw/zinc/06/74/10/631067410.db2.gz OXKZCWXXUBXZAZ-UHFFFAOYSA-N 0 1 265.265 2.534 20 5 CFBDMN CC1(C)CC(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000837724769 631116467 /nfs/dbraw/zinc/11/64/67/631116467.db2.gz ZRODIYRMPJCRLE-UHFFFAOYSA-N 0 1 279.292 2.780 20 5 CFBDMN C[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C(C)(F)F ZINC000837747514 631122571 /nfs/dbraw/zinc/12/25/71/631122571.db2.gz DMQRCVMQZGGZCR-ZETCQYMHSA-N 0 1 289.234 2.635 20 5 CFBDMN CCCCc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841162071 631351276 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CSCCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000281477555 195257123 /nfs/dbraw/zinc/25/71/23/195257123.db2.gz SENOJCMPGIMNBW-UHFFFAOYSA-N 0 1 295.364 2.921 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@]3(C2)CCCOC3)c(F)c1 ZINC000342011542 130197749 /nfs/dbraw/zinc/19/77/49/130197749.db2.gz GJCQUADFRVQBQY-OAHLLOKOSA-N 0 1 294.326 2.736 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCCCC[C@H]2CCO)c(F)c1 ZINC000342059911 130228317 /nfs/dbraw/zinc/22/83/17/130228317.db2.gz HJOCGPSKXDWSAP-ZDUSSCGKSA-N 0 1 296.342 2.861 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000332656728 393562118 /nfs/dbraw/zinc/56/21/18/393562118.db2.gz FEEJWNALNVAXAD-LPEHRKFASA-N 0 1 294.355 2.558 20 5 CFBDMN CC[C@H](NCC[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054109992 393619301 /nfs/dbraw/zinc/61/93/01/393619301.db2.gz UZCYGHSYXZPENY-AWEZNQCLSA-N 0 1 265.357 2.587 20 5 CFBDMN O=C1[C@H]2CCCCCC2=NN1c1ccc([N+](=O)[O-])cc1 ZINC000109522570 393878824 /nfs/dbraw/zinc/87/88/24/393878824.db2.gz NNNWSBYLBSRTRW-LBPRGKRZSA-N 0 1 273.292 2.878 20 5 CFBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CCCCC2 ZINC000109522570 393878829 /nfs/dbraw/zinc/87/88/29/393878829.db2.gz NNNWSBYLBSRTRW-LBPRGKRZSA-N 0 1 273.292 2.878 20 5 CFBDMN O=C1[C@@H]2CCCCCC2=NN1c1ccc([N+](=O)[O-])cc1 ZINC000109522568 393878869 /nfs/dbraw/zinc/87/88/69/393878869.db2.gz NNNWSBYLBSRTRW-GFCCVEGCSA-N 0 1 273.292 2.878 20 5 CFBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CCCCC2 ZINC000109522568 393878873 /nfs/dbraw/zinc/87/88/73/393878873.db2.gz NNNWSBYLBSRTRW-GFCCVEGCSA-N 0 1 273.292 2.878 20 5 CFBDMN CCOC[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000459675764 393884913 /nfs/dbraw/zinc/88/49/13/393884913.db2.gz MPWVGSVVXWXJJI-CQSZACIVSA-N 0 1 278.352 2.986 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N(C)C2(C)CCCC2)c1[N+](=O)[O-] ZINC000428664659 393904504 /nfs/dbraw/zinc/90/45/04/393904504.db2.gz MUVMMUPMEZPYBG-UHFFFAOYSA-N 0 1 294.355 2.846 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263346003 393961266 /nfs/dbraw/zinc/96/12/66/393961266.db2.gz OQGQOMSETLTTJR-AAEUAGOBSA-N 0 1 292.335 2.588 20 5 CFBDMN CCCCN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430230295 393970706 /nfs/dbraw/zinc/97/07/06/393970706.db2.gz XTXHKLYSKKIWHX-UHFFFAOYSA-N 0 1 252.314 2.835 20 5 CFBDMN COc1cc(/C=C(\C)c2cnccn2)cc([N+](=O)[O-])c1O ZINC000436923898 394035116 /nfs/dbraw/zinc/03/51/16/394035116.db2.gz VIQPBDGGTBTWHH-WEVVVXLNSA-N 0 1 287.275 2.660 20 5 CFBDMN Cc1cc(CNCc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421371947 394205951 /nfs/dbraw/zinc/20/59/51/394205951.db2.gz FFZGMIZITXAZEH-UHFFFAOYSA-N 0 1 271.320 2.896 20 5 CFBDMN O=[N+]([O-])c1cccc([C@@H](N[C@H]2C[C@@H](O)C2)c2ccccc2)c1 ZINC000453381897 394393169 /nfs/dbraw/zinc/39/31/69/394393169.db2.gz YMYBNXQXRHZBRD-UAGQMJEPSA-N 0 1 298.342 2.797 20 5 CFBDMN C[C@@H](N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000542809656 394714443 /nfs/dbraw/zinc/71/44/43/394714443.db2.gz POGSGNKQPUIDGM-SECBINFHSA-N 0 1 280.324 2.807 20 5 CFBDMN Cc1cccc(CCN2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000570628262 395085886 /nfs/dbraw/zinc/08/58/86/395085886.db2.gz PNTGCYIKQPWCDA-UHFFFAOYSA-N 0 1 297.358 2.899 20 5 CFBDMN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356383689 155248942 /nfs/dbraw/zinc/24/89/42/155248942.db2.gz CBVQXXLSVAWEAQ-LSDHHAIUSA-N 0 1 298.298 2.586 20 5 CFBDMN COc1cc(CN2CCSCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000348190438 154356710 /nfs/dbraw/zinc/35/67/10/154356710.db2.gz YUYCTCQZTVHGNS-LLVKDONJSA-N 0 1 296.392 2.931 20 5 CFBDMN COc1cc(CN2CCSCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000348190439 154357246 /nfs/dbraw/zinc/35/72/46/154357246.db2.gz YUYCTCQZTVHGNS-NSHDSACASA-N 0 1 296.392 2.931 20 5 CFBDMN CO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000366918076 156254421 /nfs/dbraw/zinc/25/44/21/156254421.db2.gz SYZLIRUOTHCJNJ-LBPRGKRZSA-N 0 1 282.315 2.735 20 5 CFBDMN CCCc1[nH]nc(C(=O)N2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000346354085 162391492 /nfs/dbraw/zinc/39/14/92/162391492.db2.gz UAZWTWJDQPWUIR-UHFFFAOYSA-N 0 1 294.355 2.533 20 5 CFBDMN CC(C)(CF)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000349826547 163021236 /nfs/dbraw/zinc/02/12/36/163021236.db2.gz CXRFOVCJHPRFHO-ALCCZGGFSA-N 0 1 252.289 2.946 20 5 CFBDMN CC(C)(C)C(C)(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000350831107 163109302 /nfs/dbraw/zinc/10/93/02/163109302.db2.gz CSDKVCJNYKELOY-UHFFFAOYSA-N 0 1 280.324 2.855 20 5 CFBDMN CC(C)CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352679120 163221227 /nfs/dbraw/zinc/22/12/27/163221227.db2.gz PQYFZPHLDXAXFA-UHFFFAOYSA-N 0 1 264.325 2.835 20 5 CFBDMN CCc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000352777890 163233175 /nfs/dbraw/zinc/23/31/75/163233175.db2.gz DCHOYUADUMISOS-UHFFFAOYSA-N 0 1 271.320 2.842 20 5 CFBDMN Cc1cc(CCNCc2ccc([N+](=O)[O-])cc2Cl)on1 ZINC000353100318 163306736 /nfs/dbraw/zinc/30/67/36/163306736.db2.gz UAVUEHZJGNDGMY-UHFFFAOYSA-N 0 1 295.726 2.877 20 5 CFBDMN CO[C@H](C)CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000285617197 196345453 /nfs/dbraw/zinc/34/54/53/196345453.db2.gz KDDAYVUFVIRCMV-SECBINFHSA-N 0 1 272.732 2.715 20 5 CFBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000194059480 274302917 /nfs/dbraw/zinc/30/29/17/274302917.db2.gz UZPZOTGIAGLLTP-NXEZZACHSA-N 0 1 279.296 2.733 20 5 CFBDMN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCCc4cn[nH]c43)nc2c1 ZINC000297631553 275037642 /nfs/dbraw/zinc/03/76/42/275037642.db2.gz XCZRGIZHQPMYBH-LLVKDONJSA-N 0 1 298.306 2.684 20 5 CFBDMN CCN(CCOC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270783180 276349623 /nfs/dbraw/zinc/34/96/23/276349623.db2.gz PHRSORVILYTYBM-LLVKDONJSA-N 0 1 252.314 2.624 20 5 CFBDMN CCN1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000352699871 276385063 /nfs/dbraw/zinc/38/50/63/276385063.db2.gz SOBRTJFJXVRFSW-NSHDSACASA-N 0 1 297.786 2.774 20 5 CFBDMN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135120573 277229377 /nfs/dbraw/zinc/22/93/77/277229377.db2.gz LFUCRUDDHVQISL-NXEZZACHSA-N 0 1 294.355 2.653 20 5 CFBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000163922687 278379050 /nfs/dbraw/zinc/37/90/50/278379050.db2.gz VHMQSIAKGIEFPQ-GHMZBOCLSA-N 0 1 274.324 2.740 20 5 CFBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000135141086 278379124 /nfs/dbraw/zinc/37/91/24/278379124.db2.gz BEMDRPHFZRJINM-GHMZBOCLSA-N 0 1 293.367 2.549 20 5 CFBDMN CC(C)C[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000330971546 279207136 /nfs/dbraw/zinc/20/71/36/279207136.db2.gz HDXFPYKZFNREMG-GFCCVEGCSA-N 0 1 280.372 2.729 20 5 CFBDMN CC[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269150796 280245888 /nfs/dbraw/zinc/24/58/88/280245888.db2.gz RZLFSMRDORFKPU-LLVKDONJSA-N 0 1 278.308 2.705 20 5 CFBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080306394 280538729 /nfs/dbraw/zinc/53/87/29/280538729.db2.gz IXHJNZVFWXHPCP-JTQLQIEISA-N 0 1 293.348 2.781 20 5 CFBDMN C[C@H](N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000542809657 281634538 /nfs/dbraw/zinc/63/45/38/281634538.db2.gz POGSGNKQPUIDGM-VIFPVBQESA-N 0 1 280.324 2.807 20 5 CFBDMN CC[C@H]1[C@@H](C)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000274840494 288371479 /nfs/dbraw/zinc/37/14/79/288371479.db2.gz VYTMHOHVMYSQEV-UWVGGRQHSA-N 0 1 294.355 2.702 20 5 CFBDMN C[C@@H](F)CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560462440 282028241 /nfs/dbraw/zinc/02/82/41/282028241.db2.gz OHKCUXVCYSEOSU-SNVBAGLBSA-N 0 1 252.289 2.701 20 5 CFBDMN CCO[C@H]1C[C@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000562467945 290045615 /nfs/dbraw/zinc/04/56/15/290045615.db2.gz KSBYDCYDUDAAKS-HIFRSBDPSA-N 0 1 278.352 2.985 20 5 CFBDMN Cc1nc([C@H]2CCCCN2c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000374585308 293387291 /nfs/dbraw/zinc/38/72/91/293387291.db2.gz OEYTUYYONSIIBF-CYBMUJFWSA-N 0 1 287.323 2.753 20 5 CFBDMN COc1ccc(CN[C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC000414517102 533693697 /nfs/dbraw/zinc/69/36/97/533693697.db2.gz YHZWGCDPLOKZRN-VXGBXAGGSA-N 0 1 282.315 2.974 20 5 CFBDMN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000171057205 322399212 /nfs/dbraw/zinc/39/92/12/322399212.db2.gz NJKCZPWCAYAHCP-UHFFFAOYSA-N 0 1 279.340 2.572 20 5 CFBDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000582246789 325188962 /nfs/dbraw/zinc/18/89/62/325188962.db2.gz QMBUBBMROWYDAS-ZDUSSCGKSA-N 0 1 280.324 2.526 20 5 CFBDMN CC1(C)CCC[C@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360876754 520360592 /nfs/dbraw/zinc/36/05/92/520360592.db2.gz YDTSTTIAAUTZPA-NSHDSACASA-N 0 1 292.335 2.857 20 5 CFBDMN COC1CC(NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230691116 522667063 /nfs/dbraw/zinc/66/70/63/522667063.db2.gz YJDPOWSFHVNFLE-UHFFFAOYSA-N 0 1 270.716 2.515 20 5 CFBDMN CN(Cc1csc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000155749678 523528352 /nfs/dbraw/zinc/52/83/52/523528352.db2.gz XOONYUMKWOSYOA-UHFFFAOYSA-N 0 1 270.354 2.515 20 5 CFBDMN C[C@@H](NCc1cccn1C)c1cccc([N+](=O)[O-])c1 ZINC000050595959 525541244 /nfs/dbraw/zinc/54/12/44/525541244.db2.gz CPGLAQHMULOCRO-LLVKDONJSA-N 0 1 259.309 2.784 20 5 CFBDMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000339387275 526054467 /nfs/dbraw/zinc/05/44/67/526054467.db2.gz JTCQVKZYTSVVSV-LLVKDONJSA-N 0 1 290.323 2.999 20 5 CFBDMN O=C(Nc1cccc(Cl)c1O)c1cc([N+](=O)[O-])c[nH]1 ZINC000340316297 527347431 /nfs/dbraw/zinc/34/74/31/527347431.db2.gz AMUYNGWDMWYTDX-UHFFFAOYSA-N 0 1 281.655 2.534 20 5 CFBDMN CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452523151 536074812 /nfs/dbraw/zinc/07/48/12/536074812.db2.gz FMOKFSQXSGFLOC-WDEREUQCSA-N 0 1 292.335 2.857 20 5 CFBDMN C[C@@H]1CC(OC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)C1 ZINC000744212830 574061729 /nfs/dbraw/zinc/06/17/29/574061729.db2.gz MIUFWKNOPREERB-IUCAKERBSA-N 0 1 266.297 2.904 20 5 CFBDMN CO[C@H](C)CN(Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000740887911 574272839 /nfs/dbraw/zinc/27/28/39/574272839.db2.gz HTPHYAQSZATSRF-LLVKDONJSA-N 0 1 284.331 2.979 20 5 CFBDMN CC(C)Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000735272373 574319234 /nfs/dbraw/zinc/31/92/34/574319234.db2.gz AXWOFXGXDSTPDT-UHFFFAOYSA-N 0 1 290.275 2.929 20 5 CFBDMN CC(=O)c1ccc(NCCN2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000742424966 574329750 /nfs/dbraw/zinc/32/97/50/574329750.db2.gz IBZBHKYURGDGEK-NSHDSACASA-N 0 1 291.351 2.694 20 5 CFBDMN C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000752076114 574387685 /nfs/dbraw/zinc/38/76/85/574387685.db2.gz NXAODWOARRKHNV-NXEZZACHSA-N 0 1 252.289 2.822 20 5 CFBDMN CC[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633506 601113017 /nfs/dbraw/zinc/11/30/17/601113017.db2.gz UMFICRKJPFCGKC-UHFFFAOYSA-N 0 1 286.715 2.545 20 5 CFBDMN CC[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(F)F ZINC000845758817 618063575 /nfs/dbraw/zinc/06/35/75/618063575.db2.gz MXFDQNRMRMUMSN-ZETCQYMHSA-N 0 1 276.239 2.761 20 5 CFBDMN CCCCN(Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CC ZINC000077435524 618136047 /nfs/dbraw/zinc/13/60/47/618136047.db2.gz XOIYQTCXNCZYBE-NSHDSACASA-N 0 1 254.334 2.649 20 5 CFBDMN O=[N+]([O-])c1ccc(CCN2CCOC[C@@H]2CC2CC2)cc1 ZINC000933210907 618170136 /nfs/dbraw/zinc/17/01/36/618170136.db2.gz YDVIOMJASBPGJM-INIZCTEOSA-N 0 1 290.363 2.638 20 5 CFBDMN CCC[N@@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000895206173 618471175 /nfs/dbraw/zinc/47/11/75/618471175.db2.gz UNOOWPSHHWMJMC-UHFFFAOYSA-N 0 1 282.340 2.929 20 5 CFBDMN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840980385 619209970 /nfs/dbraw/zinc/20/99/70/619209970.db2.gz YKRNPQBOKATABF-ZYHUDNBSSA-N 0 1 298.770 2.841 20 5 CFBDMN O=C(O[C@H](C1CCCCC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841167407 619264585 /nfs/dbraw/zinc/26/45/85/619264585.db2.gz AORKQVQQTDKORG-OPRDCNLKSA-N 0 1 295.257 2.706 20 5 CFBDMN Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841173747 619288958 /nfs/dbraw/zinc/28/89/58/619288958.db2.gz ZBJOFBAILRCFLO-OPRDCNLKSA-N 0 1 298.364 2.844 20 5 CFBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000840670536 619299466 /nfs/dbraw/zinc/29/94/66/619299466.db2.gz HYBVSGNYJNXAIM-IJLUTSLNSA-N 0 1 283.711 3.000 20 5 CFBDMN O=C(OCc1cc2ccccc2s1)[C@@H]1CC1[N+](=O)[O-] ZINC000840673575 619336210 /nfs/dbraw/zinc/33/62/10/619336210.db2.gz TXAHQZBLJIJUSC-GHMZBOCLSA-N 0 1 277.301 2.610 20 5 CFBDMN CC(C)Oc1cccc([C@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841188711 619342560 /nfs/dbraw/zinc/34/25/60/619342560.db2.gz MHARHYUVMGHORH-ZLKJLUDKSA-N 0 1 293.319 2.743 20 5 CFBDMN O=C(OCc1cc(Cl)cc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840674923 619350258 /nfs/dbraw/zinc/35/02/58/619350258.db2.gz SSVMVAXQOWYGKX-NXEZZACHSA-N 0 1 290.102 2.702 20 5 CFBDMN Cc1ncoc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000894679615 619441558 /nfs/dbraw/zinc/44/15/58/619441558.db2.gz QMZHQDXAWYVLJY-UHFFFAOYSA-N 0 1 275.308 2.566 20 5 CFBDMN COc1c(O)ccc(C[N@H+]2CC(C)(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894924753 619514092 /nfs/dbraw/zinc/51/40/92/619514092.db2.gz AEPQUHAEPKFPMF-JTQLQIEISA-N 0 1 294.351 2.929 20 5 CFBDMN COc1c(O)ccc(CN2CC(C)(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000894924753 619514093 /nfs/dbraw/zinc/51/40/93/619514093.db2.gz AEPQUHAEPKFPMF-JTQLQIEISA-N 0 1 294.351 2.929 20 5 CFBDMN CCn1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000896511085 619747102 /nfs/dbraw/zinc/74/71/02/619747102.db2.gz TYOPRQQUJCPIBO-LLVKDONJSA-N 0 1 288.351 2.970 20 5 CFBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000263058258 620100316 /nfs/dbraw/zinc/10/03/16/620100316.db2.gz FFHVRKKRQWBUHK-MRVPVSSYSA-N 0 1 298.726 2.686 20 5 CFBDMN CC(C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000901590669 620864340 /nfs/dbraw/zinc/86/43/40/620864340.db2.gz PBYKCCSTQQHCMI-ALCCZGGFSA-N 0 1 292.335 2.651 20 5 CFBDMN C[C@H](NCc1cnn(CCF)c1)c1ccc([N+](=O)[O-])cc1 ZINC000901657936 620884255 /nfs/dbraw/zinc/88/42/55/620884255.db2.gz VDNLIHJWAIFQLP-NSHDSACASA-N 0 1 292.314 2.612 20 5 CFBDMN O=C([O-])CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000901972660 620948498 /nfs/dbraw/zinc/94/84/98/620948498.db2.gz WLYUGGUZIDAGAI-HWKANZROSA-N 0 1 290.319 2.547 20 5 CFBDMN Cc1nonc1[C@@H](C)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245225 621296489 /nfs/dbraw/zinc/29/64/89/621296489.db2.gz KQMUHSQLYMLHMP-VHSXEESVSA-N 0 1 290.323 2.741 20 5 CFBDMN C[C@H](NCC[C@@H](O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903411468 621365440 /nfs/dbraw/zinc/36/54/40/621365440.db2.gz OJQYNXLIWFNSBQ-TVQRCGJNSA-N 0 1 282.315 2.546 20 5 CFBDMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000903596874 621404470 /nfs/dbraw/zinc/40/44/70/621404470.db2.gz UXEOMBPZNCBKFW-BXUZGUMPSA-N 0 1 294.351 2.568 20 5 CFBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnnc1 ZINC000924800604 621628945 /nfs/dbraw/zinc/62/89/45/621628945.db2.gz ZLHOZOMCNNUDBE-QWRGUYRKSA-N 0 1 272.308 2.797 20 5 CFBDMN Cc1ccc2nc(NC(=O)CCC(C)(C)[N+](=O)[O-])[nH]c2c1 ZINC000832804900 625522549 /nfs/dbraw/zinc/52/25/49/625522549.db2.gz YQWCVOJQYQBRMW-UHFFFAOYSA-N 0 1 290.323 2.645 20 5 CFBDMN COc1cc(/C=C(/C)c2ncccn2)cc([N+](=O)[O-])c1O ZINC000821017690 622822242 /nfs/dbraw/zinc/82/22/42/622822242.db2.gz LTZSOIYGQOBVKD-TWGQIWQCSA-N 0 1 287.275 2.660 20 5 CFBDMN O=C(Nc1cccc(C(F)F)c1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840421162 622865074 /nfs/dbraw/zinc/86/50/74/622865074.db2.gz LBTHIRYSKAFCLR-HTRCEHHLSA-N 0 1 290.653 2.881 20 5 CFBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(C)c1Cl ZINC000840444043 622878637 /nfs/dbraw/zinc/87/86/37/622878637.db2.gz SLTMHBFFRAPCFN-NXEZZACHSA-N 0 1 268.700 2.561 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@H]2CCCCN2)n1 ZINC000822808466 623179169 /nfs/dbraw/zinc/17/91/69/623179169.db2.gz UTHCPJFHCRALNH-GFCCVEGCSA-N 0 1 288.307 2.768 20 5 CFBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000171640083 623235714 /nfs/dbraw/zinc/23/57/14/623235714.db2.gz TVGAJAIBMQKWLX-LLVKDONJSA-N 0 1 282.315 2.592 20 5 CFBDMN CCn1ccnc1NCc1cccc([N+](=O)[O-])c1C ZINC000231868964 623373046 /nfs/dbraw/zinc/37/30/46/623373046.db2.gz QBTJHAGQUWQVCF-UHFFFAOYSA-N 0 1 260.297 2.732 20 5 CFBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@]1(C)CO ZINC000827698726 624069641 /nfs/dbraw/zinc/06/96/41/624069641.db2.gz BNCCJTOSGRBCDT-IINYFYTJSA-N 0 1 298.770 2.699 20 5 CFBDMN CC(C)(C)c1n[nH]c(SCc2cccnc2[N+](=O)[O-])n1 ZINC000916545318 624253002 /nfs/dbraw/zinc/25/30/02/624253002.db2.gz UFWIXAWZBOXOGN-UHFFFAOYSA-N 0 1 293.352 2.698 20 5 CFBDMN CC(C)(C)c1nc(SCc2cccnc2[N+](=O)[O-])n[nH]1 ZINC000916545318 624253003 /nfs/dbraw/zinc/25/30/03/624253003.db2.gz UFWIXAWZBOXOGN-UHFFFAOYSA-N 0 1 293.352 2.698 20 5 CFBDMN O=C(OCCCc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918489119 624438386 /nfs/dbraw/zinc/43/83/86/624438386.db2.gz SLDKTNFPBVNVQM-UHFFFAOYSA-N 0 1 274.276 2.713 20 5 CFBDMN CO[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000831527668 625041645 /nfs/dbraw/zinc/04/16/45/625041645.db2.gz GRRHHZPBEXGWEA-HZMBPMFUSA-N 0 1 282.315 2.591 20 5 CFBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](CO)CC(C)(C)C ZINC000832084865 625220093 /nfs/dbraw/zinc/22/00/93/625220093.db2.gz OCMCBPWGGWBCNA-ZDUSSCGKSA-N 0 1 298.358 2.963 20 5 CFBDMN Cc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccn1 ZINC000834860454 625904581 /nfs/dbraw/zinc/90/45/81/625904581.db2.gz RRNUCRNBIZISCE-NSHDSACASA-N 0 1 286.335 2.731 20 5 CFBDMN CCn1cncc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537385 626304661 /nfs/dbraw/zinc/30/46/61/626304661.db2.gz DWSPDKAQXYQNKX-LLVKDONJSA-N 0 1 274.324 2.662 20 5 CFBDMN C[C@@H](NCc1cnc2n1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922540147 626306418 /nfs/dbraw/zinc/30/64/18/626306418.db2.gz GTSZNSWBSMRUEB-LLVKDONJSA-N 0 1 286.335 2.588 20 5 CFBDMN CSCC[C@H](C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886068370 626482900 /nfs/dbraw/zinc/48/29/00/626482900.db2.gz WTSRELBTOMNMOK-JTQLQIEISA-N 0 1 269.370 2.563 20 5 CFBDMN CC[C@H](C)N(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839512166 626538412 /nfs/dbraw/zinc/53/84/12/626538412.db2.gz JMLRIXWNJQFDCQ-VIFPVBQESA-N 0 1 299.758 2.917 20 5 CFBDMN CCN1C[C@H](C)N(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000765643668 627152481 /nfs/dbraw/zinc/15/24/81/627152481.db2.gz RDYFRJUDMVWPQO-QWRGUYRKSA-N 0 1 281.331 2.653 20 5 CFBDMN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000767417381 627248913 /nfs/dbraw/zinc/24/89/13/627248913.db2.gz KHJKRERRBZAEAV-UHFFFAOYSA-N 0 1 288.347 2.928 20 5 CFBDMN Cc1ccncc1[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000773953837 627873167 /nfs/dbraw/zinc/87/31/67/627873167.db2.gz UTALGUHEHLCMKI-VIFPVBQESA-N 0 1 275.264 2.544 20 5 CFBDMN CC(C)[C@]1(C)C[C@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000775052232 627987651 /nfs/dbraw/zinc/98/76/51/627987651.db2.gz UNUCFEHEXJDYFK-ZANVPECISA-N 0 1 266.297 2.762 20 5 CFBDMN CC[C@H](C)[C@@H]1CCCCN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860968 628415235 /nfs/dbraw/zinc/41/52/35/628415235.db2.gz LKMVCCWAFZAZGY-AAEUAGOBSA-N 0 1 280.372 2.958 20 5 CFBDMN Cc1ccc2c(c1)CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780727845 628490020 /nfs/dbraw/zinc/49/00/20/628490020.db2.gz HCAZSHIWQKACPC-UHFFFAOYSA-N 0 1 298.298 2.812 20 5 CFBDMN Cc1c(COC(=O)[C@@H](C(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000787960200 629044127 /nfs/dbraw/zinc/04/41/27/629044127.db2.gz HOTUKEHNSBKRCC-CQSZACIVSA-N 0 1 294.351 2.533 20 5 CFBDMN CC[C@@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789566844 629166834 /nfs/dbraw/zinc/16/68/34/629166834.db2.gz OLCIJHCOXQVGOT-AWEZNQCLSA-N 0 1 298.770 2.985 20 5 CFBDMN CC(C)N(CC[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000791053717 629284096 /nfs/dbraw/zinc/28/40/96/629284096.db2.gz NJXQGMRFOZMHRR-UHFFFAOYSA-N 0 1 256.733 2.827 20 5 CFBDMN C[C@@]12COC[C@]1(C)CN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000852461004 634750030 /nfs/dbraw/zinc/75/00/30/634750030.db2.gz SKPXCCGJMLAIER-GASCZTMLSA-N 0 1 294.326 2.592 20 5 CFBDMN Cc1ccoc1CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795169338 629742101 /nfs/dbraw/zinc/74/21/01/629742101.db2.gz NIDJCGQFBOGVBX-CQSZACIVSA-N 0 1 290.319 2.662 20 5 CFBDMN CC(C)[C@H](C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000798819831 630242529 /nfs/dbraw/zinc/24/25/29/630242529.db2.gz KYQOTYYDQVAHEK-SMDDNHRTSA-N 0 1 294.351 2.785 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1N1CCN(C2CCC2)CC1 ZINC000804453317 630682863 /nfs/dbraw/zinc/68/28/63/630682863.db2.gz DWQVCSSYBHLKTL-UHFFFAOYSA-N 0 1 295.770 2.923 20 5 CFBDMN CC(C)(C)SCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837321890 630997243 /nfs/dbraw/zinc/99/72/43/630997243.db2.gz BAQRXLPXHNQWMT-UHFFFAOYSA-N 0 1 299.348 2.875 20 5 CFBDMN CC(C)(C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837341426 631006471 /nfs/dbraw/zinc/00/64/71/631006471.db2.gz UNCRJWIBIRDMOM-UHFFFAOYSA-N 0 1 267.281 2.780 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC=CCC1 ZINC000837365604 631013979 /nfs/dbraw/zinc/01/39/79/631013979.db2.gz NFBIOSQZBWSXES-SNVBAGLBSA-N 0 1 277.276 2.700 20 5 CFBDMN CC(C)CCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837374066 631015846 /nfs/dbraw/zinc/01/58/46/631015846.db2.gz OQRCEXTYAQOXGW-UHFFFAOYSA-N 0 1 267.281 2.780 20 5 CFBDMN O=C(CCC(F)(F)F)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837553065 631064001 /nfs/dbraw/zinc/06/40/01/631064001.db2.gz XQDYWGNGPVMOJB-UHFFFAOYSA-N 0 1 293.197 2.686 20 5 CFBDMN CC(C)[C@@H]1C[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837643925 631095412 /nfs/dbraw/zinc/09/54/12/631095412.db2.gz KFXLGQMGKQOHIR-RYUDHWBXSA-N 0 1 279.292 2.636 20 5 CFBDMN CC1(CC(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837668813 631103213 /nfs/dbraw/zinc/10/32/13/631103213.db2.gz NVJYPRRTSVMQQV-UHFFFAOYSA-N 0 1 265.265 2.534 20 5 CFBDMN C[C@]1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000837744835 631121482 /nfs/dbraw/zinc/12/14/82/631121482.db2.gz BABRNXVDGONFOG-RTUWITSCSA-N 0 1 291.303 2.780 20 5 CFBDMN COc1ccc(CNc2nccn2C2CC2)cc1[N+](=O)[O-] ZINC000840887599 631252262 /nfs/dbraw/zinc/25/22/62/631252262.db2.gz PJFOXYQEWYLAEV-UHFFFAOYSA-N 0 1 288.307 2.747 20 5 CFBDMN CCC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000841209277 631359754 /nfs/dbraw/zinc/35/97/54/631359754.db2.gz LBIZLFAZVJPWCV-LDYMZIIASA-N 0 1 296.710 2.536 20 5 CFBDMN O=C(Oc1ccc(C2CC2)cc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000842373840 631611371 /nfs/dbraw/zinc/61/13/71/631611371.db2.gz GNCSBOMAHJTRJC-MWLCHTKSSA-N 0 1 281.695 2.788 20 5 CFBDMN COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840239727 631640777 /nfs/dbraw/zinc/64/07/77/631640777.db2.gz UJIRCSUXJAGSJT-ZYHUDNBSSA-N 0 1 292.335 2.596 20 5 CFBDMN CON(Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)C ZINC000815117747 632205821 /nfs/dbraw/zinc/20/58/21/632205821.db2.gz PMXLCZOBWSPNLZ-UHFFFAOYSA-N 0 1 268.313 2.710 20 5 CFBDMN C[C@H](NCc1cccc(O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815573326 632289899 /nfs/dbraw/zinc/28/98/99/632289899.db2.gz GICLXRFGHBQNRL-JTQLQIEISA-N 0 1 287.319 2.733 20 5 CFBDMN C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]2C[C@H]2C1 ZINC000816135833 632379860 /nfs/dbraw/zinc/37/98/60/632379860.db2.gz FXGJHIUMSJBDEA-WOFXILAISA-N 0 1 264.281 2.516 20 5 CFBDMN CC[C@@H]1CN(C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000816660796 632507358 /nfs/dbraw/zinc/50/73/58/632507358.db2.gz PSFNENNIJAXGRP-GFCCVEGCSA-N 0 1 297.786 2.774 20 5 CFBDMN CC(C)[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840342661 632653439 /nfs/dbraw/zinc/65/34/39/632653439.db2.gz PCYFLWQPEDAPQG-MCIONIFRSA-N 0 1 276.336 2.507 20 5 CFBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@H]4C[C@H]4C3)c2)cc1 ZINC000853575223 635039346 /nfs/dbraw/zinc/03/93/46/635039346.db2.gz CCINFBMZRQEAPM-KBPBESRZSA-N 0 1 298.346 2.758 20 5 CFBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(C)ccc1C ZINC000863272484 637612603 /nfs/dbraw/zinc/61/26/03/637612603.db2.gz AQINYIDLAQQZSN-HZSPNIEDSA-N 0 1 276.336 2.536 20 5 CFBDMN O=[N+]([O-])c1ccc(N2CCN([C@@H]3C=CCCC3)CC2)cc1 ZINC000076667810 650396550 /nfs/dbraw/zinc/39/65/50/650396550.db2.gz JHFKPAQJKSQANH-CQSZACIVSA-N 0 1 287.363 2.826 20 5 CFBDMN O=[N+]([O-])c1ccc(N2CCN([C@H]3C=CCCC3)CC2)cc1 ZINC000076667807 650396799 /nfs/dbraw/zinc/39/67/99/650396799.db2.gz JHFKPAQJKSQANH-AWEZNQCLSA-N 0 1 287.363 2.826 20 5 CFBDMN COc1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000865699656 638523637 /nfs/dbraw/zinc/52/36/37/638523637.db2.gz YHZWGCDPLOKZRN-NWDGAFQWSA-N 0 1 282.315 2.974 20 5 CFBDMN Cc1ccc(CNCc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000865787059 638574168 /nfs/dbraw/zinc/57/41/68/638574168.db2.gz GDUISEMJVVJWRH-UHFFFAOYSA-N 0 1 288.351 2.970 20 5 CFBDMN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000866613052 638854960 /nfs/dbraw/zinc/85/49/60/638854960.db2.gz DZAGUQGRCZPTGN-MFKMUULPSA-N 0 1 286.335 2.666 20 5 CFBDMN Cc1nn(CN(C)C2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000193394472 650650396 /nfs/dbraw/zinc/65/03/96/650650396.db2.gz OZAQSZLZMAJCDH-UHFFFAOYSA-N 0 1 280.372 2.876 20 5 CFBDMN CCOCCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872015945 641546908 /nfs/dbraw/zinc/54/69/08/641546908.db2.gz AOAZZHFMBODADQ-JTQLQIEISA-N 0 1 270.304 2.811 20 5 CFBDMN C[C@@H](NC[C@](C)(O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035996 641568173 /nfs/dbraw/zinc/56/81/73/641568173.db2.gz OTUWIZRHBYEEIK-OTYXRUKQSA-N 0 1 282.315 2.546 20 5 CFBDMN COC[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872051069 641585145 /nfs/dbraw/zinc/58/51/45/641585145.db2.gz FODXQXLAIJBXAG-JOYOIKCWSA-N 0 1 282.315 2.810 20 5 CFBDMN COC[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872051070 641585223 /nfs/dbraw/zinc/58/52/23/641585223.db2.gz FODXQXLAIJBXAG-SKDRFNHKSA-N 0 1 282.315 2.810 20 5 CFBDMN C[C@H](N[C@H]1CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872063939 641595490 /nfs/dbraw/zinc/59/54/90/641595490.db2.gz ALFVRHHRRXWFPF-GAFUQQFSSA-N 0 1 282.315 2.688 20 5 CFBDMN C[C@H](N[C@@H](CO)CC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069060 641599671 /nfs/dbraw/zinc/59/96/71/641599671.db2.gz LNPWCXNAAYVRRY-CMPLNLGQSA-N 0 1 296.342 2.936 20 5 CFBDMN CCO[C@H]1C[C@@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872078096 641610220 /nfs/dbraw/zinc/61/02/20/641610220.db2.gz DWWHFDLBEGBCIC-MXWKQRLJSA-N 0 1 282.315 2.952 20 5 CFBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC/C=C/CO ZINC000872086845 641620013 /nfs/dbraw/zinc/62/00/13/641620013.db2.gz YJGKCHPIYYWQKF-FSIBCCDJSA-N 0 1 282.365 2.516 20 5 CFBDMN CCC[C@H](CCO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094063 641625727 /nfs/dbraw/zinc/62/57/27/641625727.db2.gz YQDDVRMNOLWOBD-GHMZBOCLSA-N 0 1 284.331 2.936 20 5 CFBDMN Cc1ccc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000872160997 641682612 /nfs/dbraw/zinc/68/26/12/641682612.db2.gz QKKCKGAIYGJJFM-NSHDSACASA-N 0 1 292.335 2.588 20 5 CFBDMN Cc1ccc(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000872162011 641683639 /nfs/dbraw/zinc/68/36/39/641683639.db2.gz KIZKSYSJQPCMNF-NSHDSACASA-N 0 1 292.335 2.731 20 5 CFBDMN Cc1c(C[N@H+]2CCCCC[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000080992681 650718031 /nfs/dbraw/zinc/71/80/31/650718031.db2.gz LKKVUNYBBCEUOG-AWEZNQCLSA-N 0 1 292.335 2.732 20 5 CFBDMN CO[C@H]1CC[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319532 644224916 /nfs/dbraw/zinc/22/49/16/644224916.db2.gz WVKOSPILLGKECX-FZMZJTMJSA-N 0 1 264.325 2.594 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3CSC[C@@H]3C2)cc1F ZINC000879565926 644325115 /nfs/dbraw/zinc/32/51/15/644325115.db2.gz RLKBERVUSFBGRU-NEPJUHHUSA-N 0 1 296.367 2.919 20 5 CFBDMN C[C@@H]1CCN[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000127935580 644379213 /nfs/dbraw/zinc/37/92/13/644379213.db2.gz VDTGQQIVCPTYCH-BXKDBHETSA-N 0 1 288.307 2.705 20 5 CFBDMN CC(C)(O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000879964289 644478773 /nfs/dbraw/zinc/47/87/73/644478773.db2.gz WJZRMQHLLQBDIL-GFCCVEGCSA-N 0 1 296.342 2.717 20 5 CFBDMN CC(C)(O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000879964290 644478942 /nfs/dbraw/zinc/47/89/42/644478942.db2.gz WJZRMQHLLQBDIL-LBPRGKRZSA-N 0 1 296.342 2.717 20 5 CFBDMN CC(C)(C)OCc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000885617845 646721418 /nfs/dbraw/zinc/72/14/18/646721418.db2.gz FALIUJFOVQGASQ-CHWSQXEVSA-N 0 1 292.335 2.605 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CC[C@H](c2ccco2)C1 ZINC000886005476 646810405 /nfs/dbraw/zinc/81/04/05/646810405.db2.gz BRYPMIJCJUCQER-NSHDSACASA-N 0 1 273.292 2.572 20 5 CFBDMN CS[C@H]1CCCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886080177 646857069 /nfs/dbraw/zinc/85/70/69/646857069.db2.gz AYCUAYIJTMIGRM-LBPRGKRZSA-N 0 1 281.381 2.707 20 5 CFBDMN O=[N+]([O-])c1cc(CNC[C@H]2CC3(CCC3)CO2)cs1 ZINC000886288872 646955628 /nfs/dbraw/zinc/95/56/28/646955628.db2.gz JGXDFTPKYABIIG-LLVKDONJSA-N 0 1 282.365 2.705 20 5 CFBDMN O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886558218 647046376 /nfs/dbraw/zinc/04/63/76/647046376.db2.gz DOSXHZCRBKEIGA-PHIMTYICSA-N 0 1 282.340 2.529 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]([C@@H]3CCCO3)C2)c(F)c1 ZINC000886830739 647155902 /nfs/dbraw/zinc/15/59/02/647155902.db2.gz WSUFURWINQSCBF-WFASDCNBSA-N 0 1 294.326 2.735 20 5 CFBDMN CC(C)N1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000924093279 647921405 /nfs/dbraw/zinc/92/14/05/647921405.db2.gz QBDRBAZLLDWFHH-SECBINFHSA-N 0 1 292.295 2.783 20 5 CFBDMN CC(C)(NCC[N+](=O)[O-])c1ccc(Br)cc1 ZINC000929887723 649144854 /nfs/dbraw/zinc/14/48/54/649144854.db2.gz VJJMXCLKCSPSRP-UHFFFAOYSA-N 0 1 287.157 2.551 20 5 CFBDMN C[C@@H](NCC[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000930220888 649206666 /nfs/dbraw/zinc/20/66/66/649206666.db2.gz RXTWGMFFQOZTMV-SSDOTTSWSA-N 0 1 291.120 2.516 20 5 CFBDMN CC(C)[C@H](NCC[N+](=O)[O-])c1ccccc1Cl ZINC000930224813 649209944 /nfs/dbraw/zinc/20/99/44/649209944.db2.gz RMVAGDSXICDLJZ-LBPRGKRZSA-N 0 1 256.733 2.903 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC(c3ncco3)CC2)cc1 ZINC000931449081 649429394 /nfs/dbraw/zinc/42/93/94/649429394.db2.gz NWJXUDJSOBBECC-UHFFFAOYSA-N 0 1 287.319 2.962 20 5 CFBDMN CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1CC[N+](=O)[O-] ZINC000931688482 649472260 /nfs/dbraw/zinc/47/22/60/649472260.db2.gz IAHWPVBALRMGBP-LLVKDONJSA-N 0 1 284.306 2.809 20 5 CFBDMN COC(C)(C)[C@@H](C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000932370820 649586399 /nfs/dbraw/zinc/58/63/99/649586399.db2.gz VPWIQNJSASJVRT-SECBINFHSA-N 0 1 270.304 2.637 20 5 CFBDMN CCOC(=O)[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932647891 649633875 /nfs/dbraw/zinc/63/38/75/649633875.db2.gz AFDDUBMDJMELHR-WCQYABFASA-N 0 1 292.335 2.541 20 5 CFBDMN CCOc1cc(CN(C)[C@@H]2CC[C@H]2OC)ccc1[N+](=O)[O-] ZINC000934109530 649750470 /nfs/dbraw/zinc/75/04/70/649750470.db2.gz AOLAUQDVVWCXSR-TZMCWYRMSA-N 0 1 294.351 2.603 20 5 CFBDMN CO[C@H]1CC[C@H]1N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000724123899 770797882 /nfs/dbraw/zinc/79/78/82/770797882.db2.gz ZRONSHXCOINVAI-YPMHNXCESA-N 0 1 284.743 2.857 20 5 CFBDMN C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccncc1F ZINC001225489932 775478152 /nfs/dbraw/zinc/47/81/52/775478152.db2.gz DMCSQEUPVTYARD-QMMMGPOBSA-N 0 1 278.239 2.975 20 5 CFBDMN C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])c1cccnc1F ZINC001225490783 775479246 /nfs/dbraw/zinc/47/92/46/775479246.db2.gz KNLAIYUCHHYAOT-MRVPVSSYSA-N 0 1 278.239 2.975 20 5 CFBDMN CC(C)N1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226258664 775758808 /nfs/dbraw/zinc/75/88/08/775758808.db2.gz PIFWQDQTYVRVOS-LLVKDONJSA-N 0 1 299.758 2.895 20 5 CFBDMN Cc1ccc2nc(O[C@H](C[N+](=O)[O-])c3cccnc3)[nH]c2c1 ZINC001226510341 775853116 /nfs/dbraw/zinc/85/31/16/775853116.db2.gz XXRUJSCBCKYUEU-CQSZACIVSA-N 0 1 298.302 2.663 20 5 CFBDMN CN1CC[C@@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227129330 776108892 /nfs/dbraw/zinc/10/88/92/776108892.db2.gz KDRVFLFECNOTOZ-SSDOTTSWSA-N 0 1 291.134 2.985 20 5 CFBDMN Cc1cccc2nc(O[C@@H](C[N+](=O)[O-])c3cccnc3)[nH]c21 ZINC001227267368 776165130 /nfs/dbraw/zinc/16/51/30/776165130.db2.gz CFMNXBFMDMIKFO-ZDUSSCGKSA-N 0 1 298.302 2.663 20 5 CFBDMN CC[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015648 776364384 /nfs/dbraw/zinc/36/43/84/776364384.db2.gz GLHSEQBSVLQROP-JTQLQIEISA-N 0 1 286.278 2.736 20 5 CFBDMN CCN1CCC[C@H](Oc2cc([N+](=O)[O-])cc(F)c2F)C1 ZINC001228015648 776364396 /nfs/dbraw/zinc/36/43/96/776364396.db2.gz GLHSEQBSVLQROP-JTQLQIEISA-N 0 1 286.278 2.736 20 5 CFBDMN C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228239823 776431515 /nfs/dbraw/zinc/43/15/15/776431515.db2.gz BBKISKONJSNRCN-UFBFGSQYSA-N 0 1 289.291 2.811 20 5 CFBDMN C[C@H]1CCC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602841 776537255 /nfs/dbraw/zinc/53/72/55/776537255.db2.gz GBWQDLFKVDCERZ-WPRPVWTQSA-N 0 1 293.323 2.925 20 5 CFBDMN CC(=O)c1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001228970652 776673006 /nfs/dbraw/zinc/67/30/06/776673006.db2.gz KNJMWXZLMLESJA-GFCCVEGCSA-N 0 1 292.335 2.661 20 5 CFBDMN CC(C)[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396260 776800233 /nfs/dbraw/zinc/80/02/33/776800233.db2.gz RUQWIFGITNIOKL-GFCCVEGCSA-N 0 1 280.324 2.552 20 5 CFBDMN Cc1nc2[nH]cnc2c(O[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001229438290 776810497 /nfs/dbraw/zinc/81/04/97/776810497.db2.gz HFNOBPVWXGAFTO-QMMMGPOBSA-N 0 1 299.290 2.710 20 5 CFBDMN CC[C@H]1OC(=O)C(Oc2cc([N+](=O)[O-])c(C)cc2O)=C1C ZINC001229751485 776887242 /nfs/dbraw/zinc/88/72/42/776887242.db2.gz VKMLKPVNFXUDOL-LLVKDONJSA-N 0 1 293.275 2.597 20 5 CFBDMN O=C1CC(Oc2ccc3c(c2)oc(=O)c2cc(O)ccc32)C1 ZINC001229797752 776894054 /nfs/dbraw/zinc/89/40/54/776894054.db2.gz MBXSUVPHWVODRQ-UHFFFAOYSA-N 0 1 296.278 2.762 20 5 CFBDMN CCN1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229916877 776917879 /nfs/dbraw/zinc/91/78/79/776917879.db2.gz DJAQTCAEYZIAKH-VIFPVBQESA-N 0 1 285.731 2.506 20 5 CFBDMN CCN1CCC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230880179 777081268 /nfs/dbraw/zinc/08/12/68/777081268.db2.gz ZDVSUBXWYZIBOB-SECBINFHSA-N 0 1 285.731 2.506 20 5 CFBDMN CC(C)(O)[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000721804295 777586016 /nfs/dbraw/zinc/58/60/16/777586016.db2.gz OCIQYKOFIHEANF-LLVKDONJSA-N 0 1 298.770 2.841 20 5 CFBDMN CCN1CC[C@H](Oc2cc([N+](=O)[O-])c(C)cc2F)C1 ZINC001234057579 778155363 /nfs/dbraw/zinc/15/53/63/778155363.db2.gz VZEYBEZPQFBQEE-JTQLQIEISA-N 0 1 268.288 2.515 20 5 CFBDMN CCC[C@H](C)[C@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229379743 778300057 /nfs/dbraw/zinc/30/00/57/778300057.db2.gz XUXICARFZBEPHO-WPRPVWTQSA-N 0 1 283.328 2.992 20 5 CFBDMN CO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000706533230 781186917 /nfs/dbraw/zinc/18/69/17/781186917.db2.gz KGPKBLZEVOGDHR-HOMQSWHASA-N 0 1 270.716 2.515 20 5 CFBDMN CC(C)(O)[C@@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000707137200 781226670 /nfs/dbraw/zinc/22/66/70/781226670.db2.gz FPWBVEPQKKQTPB-ZDUSSCGKSA-N 0 1 298.770 2.984 20 5 CFBDMN COCC1(N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000707157098 781227696 /nfs/dbraw/zinc/22/76/96/781227696.db2.gz UUXKPJDQBFOWPY-UHFFFAOYSA-N 0 1 284.743 2.859 20 5 CFBDMN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccccn1 ZINC000067697001 346814616 /nfs/dbraw/zinc/81/46/16/346814616.db2.gz ORKIMUUYLJUGND-FNORWQNLSA-N 0 1 269.304 2.793 20 5 CFBDMN CCc1nc([C@H](C)Sc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000594893180 349496367 /nfs/dbraw/zinc/49/63/67/349496367.db2.gz RTPAAZUGRHWPLH-ZETCQYMHSA-N 0 1 279.325 2.524 20 5 CFBDMN Cc1c[nH]c(CNCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000594942609 349521674 /nfs/dbraw/zinc/52/16/74/349521674.db2.gz KETRQYRNEFZATO-UHFFFAOYSA-N 0 1 294.742 2.612 20 5 CFBDMN CCN1CCC[C@@H]1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067948939 346829001 /nfs/dbraw/zinc/82/90/01/346829001.db2.gz XJJUSRQBQKGSTG-CYBMUJFWSA-N 0 1 291.351 2.694 20 5 CFBDMN Cc1noc(CN2CCC[C@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000595305214 349598397 /nfs/dbraw/zinc/59/83/97/349598397.db2.gz YRBWJESTDBOKPW-NSHDSACASA-N 0 1 267.329 2.902 20 5 CFBDMN Cc1noc(CN2C3CCCC2CCC3)c1[N+](=O)[O-] ZINC000595325369 349602214 /nfs/dbraw/zinc/60/22/14/349602214.db2.gz GQKXGQOMTSHQKZ-UHFFFAOYSA-N 0 1 265.313 2.798 20 5 CFBDMN Cc1noc(CN(C)[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595291940 349592056 /nfs/dbraw/zinc/59/20/56/349592056.db2.gz YHQXQIKJHRHVLT-ONGXEEELSA-N 0 1 267.329 2.902 20 5 CFBDMN CCc1nc([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000595427540 349622692 /nfs/dbraw/zinc/62/26/92/349622692.db2.gz ZJUYNFWEVXBUQX-ZJUUUORDSA-N 0 1 289.339 2.687 20 5 CFBDMN CC[C@H]1[C@@H](C)CCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595442292 349627992 /nfs/dbraw/zinc/62/79/92/349627992.db2.gz REUTUEYTFWSZRT-WPRPVWTQSA-N 0 1 253.302 2.512 20 5 CFBDMN 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CCCCC[C@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000489291490 245934505 /nfs/dbraw/zinc/93/45/05/245934505.db2.gz MBTZEMBSODQWKV-NSHDSACASA-N 0 1 294.355 2.811 20 5 CFBDMN CC(C)CN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000065961473 373907207 /nfs/dbraw/zinc/90/72/07/373907207.db2.gz RDWUPOSFMJVKPL-UHFFFAOYSA-N 0 1 290.323 2.733 20 5 CFBDMN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076071849 374528546 /nfs/dbraw/zinc/52/85/46/374528546.db2.gz CKPZTSQOZQEBSW-CYBMUJFWSA-N 0 1 266.366 2.922 20 5 CFBDMN CCN(Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)O ZINC000079618988 374622867 /nfs/dbraw/zinc/62/28/67/374622867.db2.gz BGFMPZMHQRWTLV-UHFFFAOYSA-N 0 1 286.759 2.841 20 5 CFBDMN CC[C@H](COC)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000079737246 374628881 /nfs/dbraw/zinc/62/88/81/374628881.db2.gz DTLCVPSQHGEJDE-SNVBAGLBSA-N 0 1 272.732 2.763 20 5 CFBDMN CC[C@H](NCc1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000090224364 375006220 /nfs/dbraw/zinc/00/62/20/375006220.db2.gz BALLIIRBNCQVTK-HNNXBMFYSA-N 0 1 288.351 2.878 20 5 CFBDMN C[C@H](Cn1cccn1)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097771 375187728 /nfs/dbraw/zinc/18/77/28/375187728.db2.gz MLUZRANANKINRF-SNVBAGLBSA-N 0 1 294.742 2.623 20 5 CFBDMN CCCc1[nH]nc(C(=O)N2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000112727469 375956170 /nfs/dbraw/zinc/95/61/70/375956170.db2.gz AAERUTJAJUJPFG-UHFFFAOYSA-N 0 1 294.355 2.533 20 5 CFBDMN C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000120028634 376531398 /nfs/dbraw/zinc/53/13/98/376531398.db2.gz HXIZKLNBEGVXGG-NSHDSACASA-N 0 1 252.339 2.532 20 5 CFBDMN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000120028634 376531407 /nfs/dbraw/zinc/53/14/07/376531407.db2.gz HXIZKLNBEGVXGG-NSHDSACASA-N 0 1 252.339 2.532 20 5 CFBDMN CCc1[nH]nc(C(=O)N2CCC(C)(CC)CC2)c1[N+](=O)[O-] ZINC000264655788 190126212 /nfs/dbraw/zinc/12/62/12/190126212.db2.gz GUFVLVKWFZIJFT-UHFFFAOYSA-N 0 1 294.355 2.533 20 5 CFBDMN CCn1nccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000125219371 377128638 /nfs/dbraw/zinc/12/86/38/377128638.db2.gz BGEMTDNLFGCCLI-LLVKDONJSA-N 0 1 274.324 2.662 20 5 CFBDMN CCOCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130360416 377545550 /nfs/dbraw/zinc/54/55/50/377545550.db2.gz AFXZHFJJSXKYKK-UHFFFAOYSA-N 0 1 264.325 2.596 20 5 CFBDMN Cc1ccnc(NC[C@H](c2ccco2)N(C)C)c1[N+](=O)[O-] ZINC000265176766 190163541 /nfs/dbraw/zinc/16/35/41/190163541.db2.gz IEGIRQKKURVHIV-LLVKDONJSA-N 0 1 290.323 2.606 20 5 CFBDMN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132481695 377844193 /nfs/dbraw/zinc/84/41/93/377844193.db2.gz MRVDGWUAUXMKEJ-MNOVXSKESA-N 0 1 294.355 2.653 20 5 CFBDMN CCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000133078840 377900269 /nfs/dbraw/zinc/90/02/69/377900269.db2.gz ZFIODFHYCNSBMO-NSHDSACASA-N 0 1 294.355 2.797 20 5 CFBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC000135141066 378089530 /nfs/dbraw/zinc/08/95/30/378089530.db2.gz BEMDRPHFZRJINM-WDEREUQCSA-N 0 1 293.367 2.549 20 5 CFBDMN Cc1cc(-c2nc(C3(N)CCCC3)no2)cc([N+](=O)[O-])c1 ZINC000137135479 378219664 /nfs/dbraw/zinc/21/96/64/378219664.db2.gz GRRLDMGIQRCMCH-UHFFFAOYSA-N 0 1 288.307 2.681 20 5 CFBDMN CC[C@@]1(C)CN(CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000135734121 378161723 /nfs/dbraw/zinc/16/17/23/378161723.db2.gz MATFJLJBYZPGNC-HNNXBMFYSA-N 0 1 278.352 2.638 20 5 CFBDMN CCOc1cc(CN2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000331169287 378643671 /nfs/dbraw/zinc/64/36/71/378643671.db2.gz NSMOBXRMPOPSPZ-ZDUSSCGKSA-N 0 1 294.351 2.604 20 5 CFBDMN C[C@H]1CCCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000332240579 378740035 /nfs/dbraw/zinc/74/00/35/378740035.db2.gz URFDALISEHCPNP-NSHDSACASA-N 0 1 264.325 2.922 20 5 CFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCOC[C@@H](C)C1 ZINC000332315749 378746054 /nfs/dbraw/zinc/74/60/54/378746054.db2.gz YLCFYGQSVKPGIC-RYUDHWBXSA-N 0 1 264.325 2.624 20 5 CFBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000332660676 378784166 /nfs/dbraw/zinc/78/41/66/378784166.db2.gz FWYQHKUENFATEC-JTQLQIEISA-N 0 1 294.355 2.531 20 5 CFBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](C)(CC)C2)c1[N+](=O)[O-] ZINC000332680715 378788096 /nfs/dbraw/zinc/78/80/96/378788096.db2.gz STOOOIWPNRHVST-CQSZACIVSA-N 0 1 294.355 2.533 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2CC(C)(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000332711197 378792842 /nfs/dbraw/zinc/79/28/42/378792842.db2.gz OZUXJYAPLHDARS-SECBINFHSA-N 0 1 294.355 2.702 20 5 CFBDMN CC(C)CC[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000332716257 378794598 /nfs/dbraw/zinc/79/45/98/378794598.db2.gz QFOJDIJDGBSRFP-INIZCTEOSA-N 0 1 292.379 2.750 20 5 CFBDMN Cc1cn[nH]c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000289462673 197358794 /nfs/dbraw/zinc/35/87/94/197358794.db2.gz IIMIOXQTFXOLPC-LLVKDONJSA-N 0 1 274.324 2.786 20 5 CFBDMN CO[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266542935 190265713 /nfs/dbraw/zinc/26/57/13/190265713.db2.gz QOJMBJPWZPJDLM-VXGBXAGGSA-N 0 1 264.325 2.767 20 5 CFBDMN C[C@H](NCc1ccn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000267064034 190300505 /nfs/dbraw/zinc/30/05/05/190300505.db2.gz HJRUFUDLGDEXKT-NSHDSACASA-N 0 1 259.309 2.784 20 5 CFBDMN C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267646527 190343816 /nfs/dbraw/zinc/34/38/16/190343816.db2.gz WOWIDZLXQKSGPA-VIFPVBQESA-N 0 1 261.281 2.578 20 5 CFBDMN CCc1[nH]nc(C(=O)N2CCC[C@@](C)(CC)C2)c1[N+](=O)[O-] ZINC000174752900 379934874 /nfs/dbraw/zinc/93/48/74/379934874.db2.gz KCWYQKHHPFFHLW-CQSZACIVSA-N 0 1 294.355 2.533 20 5 CFBDMN CC[C@H](NCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000175051275 379986942 /nfs/dbraw/zinc/98/69/42/379986942.db2.gz RHDJQYQWSVIOQI-AWEZNQCLSA-N 0 1 274.324 2.569 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C ZINC000175285311 380038355 /nfs/dbraw/zinc/03/83/55/380038355.db2.gz HBNYQQBQMIQCDM-LLVKDONJSA-N 0 1 264.325 2.978 20 5 CFBDMN Cc1cc2[nH]ncc2cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295462824 380871670 /nfs/dbraw/zinc/87/16/70/380871670.db2.gz QGALNNHICLSADE-UHFFFAOYSA-N 0 1 290.323 2.645 20 5 CFBDMN Cc1cnn([C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000368075407 380914188 /nfs/dbraw/zinc/91/41/88/380914188.db2.gz YMZYBFCNQNYOEV-HNNXBMFYSA-N 0 1 286.335 2.547 20 5 CFBDMN Cc1cnn([C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000368075407 380914190 /nfs/dbraw/zinc/91/41/90/380914190.db2.gz YMZYBFCNQNYOEV-HNNXBMFYSA-N 0 1 286.335 2.547 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000408161884 380915999 /nfs/dbraw/zinc/91/59/99/380915999.db2.gz QRCWGVKVXRSNCO-GHMZBOCLSA-N 0 1 290.319 2.563 20 5 CFBDMN C[C@H]1CC[C@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000408157490 380916225 /nfs/dbraw/zinc/91/62/25/380916225.db2.gz CVPPCNFZPRVJIQ-UWVGGRQHSA-N 0 1 278.308 2.561 20 5 CFBDMN C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408373088 380922373 /nfs/dbraw/zinc/92/23/73/380922373.db2.gz KFSYVWZNCLFTQE-WDEREUQCSA-N 0 1 292.335 2.951 20 5 CFBDMN CO[C@@]1(C)CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000279275443 194363809 /nfs/dbraw/zinc/36/38/09/194363809.db2.gz JPRXZCDDKNVRQJ-AWEZNQCLSA-N 0 1 264.325 2.596 20 5 CFBDMN O=[N+]([O-])c1cnc2c(c1)CN([C@@H]1C[C@@H]1c1ccccc1)CC2 ZINC000411478899 381029941 /nfs/dbraw/zinc/02/99/41/381029941.db2.gz LBEOBJGDDDZPGW-NVXWUHKLSA-N 0 1 295.342 2.904 20 5 CFBDMN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279335792 194389875 /nfs/dbraw/zinc/38/98/75/194389875.db2.gz PFYNQCLKXURFIT-LRDDRELGSA-N 0 1 290.363 2.637 20 5 CFBDMN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000296091253 381251520 /nfs/dbraw/zinc/25/15/20/381251520.db2.gz RDWQPERKXPVSPQ-ZDUSSCGKSA-N 0 1 289.379 2.511 20 5 CFBDMN O=[N+]([O-])c1cc(F)c(N[C@@H]2CCc3[nH]cnc3C2)c(F)c1 ZINC000370266741 381416955 /nfs/dbraw/zinc/41/69/55/381416955.db2.gz PDJZUHUKJFJUIH-SSDOTTSWSA-N 0 1 294.261 2.566 20 5 CFBDMN COc1cc(CN2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184230297 381387764 /nfs/dbraw/zinc/38/77/64/381387764.db2.gz DCXFHYSTMITCLV-VHSXEESVSA-N 0 1 282.315 2.973 20 5 CFBDMN COc1cc(CN2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184234514 381390027 /nfs/dbraw/zinc/39/00/27/381390027.db2.gz BQWURBLLNQBKNW-PHIMTYICSA-N 0 1 294.326 2.974 20 5 CFBDMN COc1cc(CN2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000184234528 381390296 /nfs/dbraw/zinc/39/02/96/381390296.db2.gz BQWURBLLNQBKNW-GHMZBOCLSA-N 0 1 294.326 2.974 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](CC2CC2)C1 ZINC000359735236 381586762 /nfs/dbraw/zinc/58/67/62/381586762.db2.gz XZMIYNKOSDZPBL-LLVKDONJSA-N 0 1 290.319 2.563 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCOCC3(CCC3)C2)cc1 ZINC000371893835 381717932 /nfs/dbraw/zinc/71/79/32/381717932.db2.gz LCAKOTGLFMTJFJ-UHFFFAOYSA-N 0 1 276.336 2.597 20 5 CFBDMN COCC1=CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000185831670 381747507 /nfs/dbraw/zinc/74/75/07/381747507.db2.gz NIBIVCCFBFCOGE-LBPRGKRZSA-N 0 1 276.336 2.934 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC(c3cnccn3)CC2)cc1 ZINC000372694593 381852412 /nfs/dbraw/zinc/85/24/12/381852412.db2.gz QBHKECZWWHDKNG-UHFFFAOYSA-N 0 1 298.346 2.764 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](CO)c1ccsc1 ZINC000349568919 381962581 /nfs/dbraw/zinc/96/25/81/381962581.db2.gz NHFJKWGOJJJWDV-CQSZACIVSA-N 0 1 292.360 2.788 20 5 CFBDMN Cc1nc([C@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])n[nH]1 ZINC000343905024 382011702 /nfs/dbraw/zinc/01/17/02/382011702.db2.gz AUMKYXHMMOSDGE-QMMMGPOBSA-N 0 1 298.306 2.743 20 5 CFBDMN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)n[nH]1 ZINC000343935694 382028609 /nfs/dbraw/zinc/02/86/09/382028609.db2.gz CKWGJHTZMAQDPE-MRVPVSSYSA-N 0 1 298.306 2.743 20 5 CFBDMN CCCc1[nH]nc(C(=O)N2CCCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000187100309 382098548 /nfs/dbraw/zinc/09/85/48/382098548.db2.gz VJSPWSXBRIIQGD-JTQLQIEISA-N 0 1 294.355 2.533 20 5 CFBDMN CCCc1[nH]nc(C(=O)N2CCCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000187100331 382098686 /nfs/dbraw/zinc/09/86/86/382098686.db2.gz VJSPWSXBRIIQGD-SNVBAGLBSA-N 0 1 294.355 2.533 20 5 CFBDMN O=[N+]([O-])c1cccc(CN[C@H]2C[C@@H](CO)c3ccccc32)c1 ZINC000376958712 382197611 /nfs/dbraw/zinc/19/76/11/382197611.db2.gz SEGBCJTVEROKMC-GUYCJALGSA-N 0 1 298.342 2.905 20 5 CFBDMN CCOc1cc(CN(C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000352229713 382237923 /nfs/dbraw/zinc/23/79/23/382237923.db2.gz GFSGZZRAAABOOS-ZDUSSCGKSA-N 0 1 294.351 2.604 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@@H](CO)C2)c(Cl)c1 ZINC000376878265 382187012 /nfs/dbraw/zinc/18/70/12/382187012.db2.gz SWHNUZJJPZRCHW-LLVKDONJSA-N 0 1 298.770 2.843 20 5 CFBDMN C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419370043 382300135 /nfs/dbraw/zinc/30/01/35/382300135.db2.gz IYNKCLJZFQJMMZ-WOPDTQHZSA-N 0 1 291.351 2.510 20 5 CFBDMN C[C@@H](CO)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352555358 382394406 /nfs/dbraw/zinc/39/44/06/382394406.db2.gz MCOPCTXQSHTVHJ-BLLLJJGKSA-N 0 1 286.331 2.655 20 5 CFBDMN CS[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000294160596 382438756 /nfs/dbraw/zinc/43/87/56/382438756.db2.gz AXWAOMWPDGMUMO-SNVBAGLBSA-N 0 1 270.329 2.671 20 5 CFBDMN C[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)O1 ZINC000384675286 382556011 /nfs/dbraw/zinc/55/60/11/382556011.db2.gz YXWLKNBREQYCIW-JRKPZEMJSA-N 0 1 284.743 2.904 20 5 CFBDMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358375172 382593940 /nfs/dbraw/zinc/59/39/40/382593940.db2.gz PLQWHSBEGQLDNF-SCZZXKLOSA-N 0 1 292.257 2.559 20 5 CFBDMN CC[C@@H]1[C@H](CO)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000385821500 382578218 /nfs/dbraw/zinc/57/82/18/382578218.db2.gz RRADFWIOCPZVOY-GXFFZTMASA-N 0 1 298.770 2.841 20 5 CFBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)C1CCCCC1 ZINC000191297608 382697960 /nfs/dbraw/zinc/69/79/60/382697960.db2.gz UCOWMQUQPMHATP-INIZCTEOSA-N 0 1 292.379 2.968 20 5 CFBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191400750 382699796 /nfs/dbraw/zinc/69/97/96/382699796.db2.gz GMACOBMPAVDFDP-LLVKDONJSA-N 0 1 286.715 2.543 20 5 CFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000578309001 382908665 /nfs/dbraw/zinc/90/86/65/382908665.db2.gz WWWNXSOCTDJSSC-CQSZACIVSA-N 0 1 294.376 2.628 20 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ZINC000839726119 626553446 /nfs/dbraw/zinc/55/34/46/626553446.db2.gz UTIHVVVATZKCEH-QLFBSQMISA-N 0 1 288.347 2.699 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(Nc2cnn(C)c2C(F)F)n1 ZINC000758230795 626583828 /nfs/dbraw/zinc/58/38/28/626583828.db2.gz URKSUKVMBDJUNJ-UHFFFAOYSA-N 0 1 283.238 2.713 20 5 CFBDMN CC[C@](C)(CC(=O)OC)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000760913083 626784357 /nfs/dbraw/zinc/78/43/57/626784357.db2.gz UASKOVOICOEXJG-CQSZACIVSA-N 0 1 298.314 2.555 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CCO)C2)cc1Cl ZINC000761511058 626841795 /nfs/dbraw/zinc/84/17/95/626841795.db2.gz JATVZOKMOGNRFJ-NSHDSACASA-N 0 1 298.770 2.843 20 5 CFBDMN Cc1noc(CN2CCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000851791294 634531836 /nfs/dbraw/zinc/53/18/36/634531836.db2.gz WUKGAORIGOEZQE-UHFFFAOYSA-N 0 1 265.313 2.657 20 5 CFBDMN O=[N+]([O-])c1ccc(CN(CCOC(F)F)C2CC2)cc1 ZINC000851883609 634571769 /nfs/dbraw/zinc/57/17/69/634571769.db2.gz VXASOBAGGXVZNU-UHFFFAOYSA-N 0 1 286.278 2.798 20 5 CFBDMN Cc1nn(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000779860356 628414913 /nfs/dbraw/zinc/41/49/13/628414913.db2.gz XOWXUYUKIJOINO-IACUBPJLSA-N 0 1 292.383 2.958 20 5 CFBDMN CCc1cc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)[nH]n1 ZINC000783626682 628727995 /nfs/dbraw/zinc/72/79/95/628727995.db2.gz OQPMBVGSHHBZHF-UHFFFAOYSA-N 0 1 294.742 2.824 20 5 CFBDMN O=[N+]([O-])c1ccc(N2CCN(CCCCCF)CC2)cc1 ZINC000792863523 629459494 /nfs/dbraw/zinc/45/94/94/629459494.db2.gz XPVJODOHBYBCSB-UHFFFAOYSA-N 0 1 295.358 2.857 20 5 CFBDMN C[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793249143 629513232 /nfs/dbraw/zinc/51/32/32/629513232.db2.gz DPFYZCHCPMKMOG-CQSZACIVSA-N 0 1 298.770 2.985 20 5 CFBDMN C[C@H](CO)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852424976 634742560 /nfs/dbraw/zinc/74/25/60/634742560.db2.gz HTJFIXHWLQHMGN-RISCZKNCSA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@H](CO)[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423206 634742798 /nfs/dbraw/zinc/74/27/98/634742798.db2.gz WWHNFBLQWJRXLP-BXUZGUMPSA-N 0 1 296.342 2.717 20 5 CFBDMN Cc1ccc(COC(=O)[C@@H](C(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000835479233 629768264 /nfs/dbraw/zinc/76/82/64/629768264.db2.gz HHWRGGZFGBYPQT-CQSZACIVSA-N 0 1 294.351 2.533 20 5 CFBDMN O=[N+]([O-])c1ccc(OCCN2CCC(F)(F)CC2)cc1 ZINC000796540269 629932044 /nfs/dbraw/zinc/93/20/44/629932044.db2.gz QWHUCDKOBFAQRU-UHFFFAOYSA-N 0 1 286.278 2.705 20 5 CFBDMN CC(C)[C@H](C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000798819643 630242559 /nfs/dbraw/zinc/24/25/59/630242559.db2.gz DHLJCVOGOZMAMC-SMDDNHRTSA-N 0 1 294.351 2.785 20 5 CFBDMN COCC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C ZINC000802284737 630523404 /nfs/dbraw/zinc/52/34/04/630523404.db2.gz QUKHXPJOBZZPIX-JTQLQIEISA-N 0 1 284.312 2.531 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1CSC(=S)N1CCCC1 ZINC000840018005 630655239 /nfs/dbraw/zinc/65/52/39/630655239.db2.gz ACZTUVXBPAWETC-UHFFFAOYSA-N 0 1 298.389 2.914 20 5 CFBDMN CCN1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000804572435 630757190 /nfs/dbraw/zinc/75/71/90/630757190.db2.gz BSGVIZXHPXBKKG-SNVBAGLBSA-N 0 1 283.759 2.779 20 5 CFBDMN O=C(Nc1cccc2c1ccn2C(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855342378 635514134 /nfs/dbraw/zinc/51/41/34/635514134.db2.gz BGXVKQOZARVNCC-LDYMZIIASA-N 0 1 295.245 2.640 20 5 CFBDMN C[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000837552719 631062964 /nfs/dbraw/zinc/06/29/64/631062964.db2.gz GVHIBDXZLDIZKL-ZCFIWIBFSA-N 0 1 293.197 2.542 20 5 CFBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)nc1 ZINC000809688850 631263541 /nfs/dbraw/zinc/26/35/41/631263541.db2.gz QAULJEMKGSYHIA-UHFFFAOYSA-N 0 1 289.310 2.803 20 5 CFBDMN CC(C)[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000841166256 631350935 /nfs/dbraw/zinc/35/09/35/631350935.db2.gz MUPJPPBIRWPOOO-OASPWFOLSA-N 0 1 299.273 2.870 20 5 CFBDMN CN(Cn1nccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841693207 631452463 /nfs/dbraw/zinc/45/24/63/631452463.db2.gz TYMOIQLRLCGJEV-NWDGAFQWSA-N 0 1 280.372 2.895 20 5 CFBDMN Cc1ccc(C(C)C)cc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842283252 631578993 /nfs/dbraw/zinc/57/89/93/631578993.db2.gz WKJJXJSSKTVJJH-VXGBXAGGSA-N 0 1 263.293 2.689 20 5 CFBDMN CC(C)S[C@@H]1CCCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842332699 631595501 /nfs/dbraw/zinc/59/55/01/631595501.db2.gz RLWPVTWFODWMMO-DDHJBXDOSA-N 0 1 287.381 2.648 20 5 CFBDMN CC(C)(CCOC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842348467 631601035 /nfs/dbraw/zinc/60/10/35/631601035.db2.gz FEPCSDBZRVDWFB-CHWSQXEVSA-N 0 1 277.320 2.563 20 5 CFBDMN C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)N1C ZINC000815177770 632223861 /nfs/dbraw/zinc/22/38/61/632223861.db2.gz VTUUDRGRZWAKHS-PHIMTYICSA-N 0 1 297.786 2.773 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CO)CC2)cc1Cl ZINC000816666974 632508950 /nfs/dbraw/zinc/50/89/50/632508950.db2.gz YWSYUQRGXQTSEW-LLVKDONJSA-N 0 1 298.770 2.843 20 5 CFBDMN CC(C)(C)c1nc(CNc2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000840334089 632557093 /nfs/dbraw/zinc/55/70/93/632557093.db2.gz HALIQGODNMPMNR-UHFFFAOYSA-N 0 1 293.302 2.762 20 5 CFBDMN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840338418 632600719 /nfs/dbraw/zinc/60/07/19/632600719.db2.gz BNZLMYAOJCNCFB-CHWSQXEVSA-N 0 1 296.754 2.742 20 5 CFBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1CO ZINC000857061697 635922084 /nfs/dbraw/zinc/92/20/84/635922084.db2.gz ULDCGQBJAZKDQO-CMPLNLGQSA-N 0 1 298.770 2.699 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1C=CCC1 ZINC000850508797 634024315 /nfs/dbraw/zinc/02/43/15/634024315.db2.gz OKPBIFRJERBIGJ-GHMZBOCLSA-N 0 1 262.309 2.973 20 5 CFBDMN CSc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000855286003 635500978 /nfs/dbraw/zinc/50/09/78/635500978.db2.gz ZBESBJXXTUFAKH-GMSGAONNSA-N 0 1 286.740 2.666 20 5 CFBDMN O=[N+]([O-])c1ccc2cnn(CN(C3CC3)C3CC3)c2c1 ZINC000863304054 637621993 /nfs/dbraw/zinc/62/19/93/637621993.db2.gz LOSSEQLCIQRUOG-UHFFFAOYSA-N 0 1 272.308 2.529 20 5 CFBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000866614030 638854703 /nfs/dbraw/zinc/85/47/03/638854703.db2.gz WVXCJQPYMSHTLM-GHMZBOCLSA-N 0 1 274.324 2.740 20 5 CFBDMN C[C@@H](N[C@@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032824 641563673 /nfs/dbraw/zinc/56/36/73/641563673.db2.gz ALUCBCQGLCKOJN-NXEZZACHSA-N 0 1 268.288 2.564 20 5 CFBDMN CC[C@@](C)(O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034950 641566059 /nfs/dbraw/zinc/56/60/59/641566059.db2.gz SJASKWUBWMUZEN-TVQRCGJNSA-N 0 1 270.304 2.546 20 5 CFBDMN C[C@H](CCCO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872041099 641575923 /nfs/dbraw/zinc/57/59/23/641575923.db2.gz GDSIZZWPADJMFP-NXEZZACHSA-N 0 1 270.304 2.546 20 5 CFBDMN C[C@H](Cn1cccn1)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046439 641581667 /nfs/dbraw/zinc/58/16/67/641581667.db2.gz HKTSFDRGNNSNNU-GHMZBOCLSA-N 0 1 292.314 2.670 20 5 CFBDMN C[C@H](NCCC1(O)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070779 641601894 /nfs/dbraw/zinc/60/18/94/641601894.db2.gz WIQWAVBHLPHEFV-JTQLQIEISA-N 0 1 282.315 2.690 20 5 CFBDMN C[C@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091482 641624705 /nfs/dbraw/zinc/62/47/05/641624705.db2.gz IIPXNRGFKJVMFH-KLBPJQLPSA-N 0 1 282.315 2.950 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cccnc1 ZINC000873006309 641982647 /nfs/dbraw/zinc/98/26/47/641982647.db2.gz DSMWWLLAHUZUDN-UHFFFAOYSA-N 0 1 271.320 2.896 20 5 CFBDMN CO[C@@H](CNCc1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000873050420 641995968 /nfs/dbraw/zinc/99/59/68/641995968.db2.gz WASFSKGWSJHJDY-NSHDSACASA-N 0 1 292.257 2.570 20 5 CFBDMN C[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000245766750 650833498 /nfs/dbraw/zinc/83/34/98/650833498.db2.gz RJQRLHDIPGELKZ-VXGBXAGGSA-N 0 1 288.351 2.880 20 5 CFBDMN CC(C)(O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000877796277 643562576 /nfs/dbraw/zinc/56/25/76/643562576.db2.gz BSGVDBUVVZFICI-LBPRGKRZSA-N 0 1 296.342 2.717 20 5 CFBDMN Cc1ccc(CN2CC[C@H](C(F)F)C2)cc1[N+](=O)[O-] ZINC000878319888 643838345 /nfs/dbraw/zinc/83/83/45/643838345.db2.gz CQSVDLKDHXOUEY-NSHDSACASA-N 0 1 270.279 2.990 20 5 CFBDMN Cc1ccc(CN2[C@H](C)C[C@@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000878475333 643907759 /nfs/dbraw/zinc/90/77/59/643907759.db2.gz MCUXRDLGKKBLRP-DABQJJPHSA-N 0 1 278.352 2.637 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CF)C1 ZINC000880237992 644600899 /nfs/dbraw/zinc/60/08/99/644600899.db2.gz MJAABWOQLWXMJO-NSHDSACASA-N 0 1 282.315 2.785 20 5 CFBDMN Cc1nn(CN2CCC[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000129621868 645295508 /nfs/dbraw/zinc/29/55/08/645295508.db2.gz VONWIQLWMMTUGT-CYBMUJFWSA-N 0 1 280.372 2.876 20 5 CFBDMN CC(C)c1c[nH]c(CNCCc2ccccc2[N+](=O)[O-])n1 ZINC000883019683 645566578 /nfs/dbraw/zinc/56/65/78/645566578.db2.gz YNYPSGCOQARYFX-UHFFFAOYSA-N 0 1 288.351 2.774 20 5 CFBDMN C[C@@H](N(C)Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000885951609 646778399 /nfs/dbraw/zinc/77/83/99/646778399.db2.gz LOHBEPDSAJAWJH-SNVBAGLBSA-N 0 1 251.330 2.856 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1C2CCCC1CCC2 ZINC000886020553 646823659 /nfs/dbraw/zinc/82/36/59/646823659.db2.gz CLAZFNAUOXPSCD-UHFFFAOYSA-N 0 1 261.325 2.897 20 5 CFBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CC3(CCC3)CO2)cs1 ZINC000886288873 646955785 /nfs/dbraw/zinc/95/57/85/646955785.db2.gz JGXDFTPKYABIIG-NSHDSACASA-N 0 1 282.365 2.705 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886560145 647047342 /nfs/dbraw/zinc/04/73/42/647047342.db2.gz PGORMTIFUUITCG-AOOOYVTPSA-N 0 1 282.340 2.529 20 5 CFBDMN O=[N+]([O-])CCN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000929890313 649145367 /nfs/dbraw/zinc/14/53/67/649145367.db2.gz UYCDDHNXYWFPSM-OAHLLOKOSA-N 0 1 260.337 2.805 20 5 CFBDMN CCCCOc1ccc([C@@H](C)NCC[N+](=O)[O-])cc1OC ZINC000930208513 649207012 /nfs/dbraw/zinc/20/70/12/649207012.db2.gz RCKRJIWYHABODV-GFCCVEGCSA-N 0 1 296.367 2.801 20 5 CFBDMN CC(C)[C@@H](NCC[N+](=O)[O-])c1ccccc1Cl ZINC000930224812 649210126 /nfs/dbraw/zinc/21/01/26/649210126.db2.gz RMVAGDSXICDLJZ-GFCCVEGCSA-N 0 1 256.733 2.903 20 5 CFBDMN C[C@H](NCC[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000930228719 649210662 /nfs/dbraw/zinc/21/06/62/649210662.db2.gz DLOCJEGUAHRQOJ-LBPRGKRZSA-N 0 1 271.320 2.676 20 5 CFBDMN C[C@@H]1C[C@@H]1[C@H](NCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000930239238 649212184 /nfs/dbraw/zinc/21/21/84/649212184.db2.gz UZFAMUPEZHZBRN-JIMOISOXSA-N 0 1 268.744 2.903 20 5 CFBDMN Cc1nc(C)c(CN(C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000930352648 649236188 /nfs/dbraw/zinc/23/61/88/649236188.db2.gz BKHNGESWQRUCCC-UHFFFAOYSA-N 0 1 288.351 2.609 20 5 CFBDMN CCO[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000932975554 649665872 /nfs/dbraw/zinc/66/58/72/649665872.db2.gz VHSMWHWPZJKUJL-NEPJUHHUSA-N 0 1 264.325 2.767 20 5 CFBDMN C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC001225489042 775478105 /nfs/dbraw/zinc/47/81/05/775478105.db2.gz PAQPFVLTZURTKK-YFKPBYRVSA-N 0 1 251.160 2.630 20 5 CFBDMN C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccccn1 ZINC001225492540 775478866 /nfs/dbraw/zinc/47/88/66/775478866.db2.gz XRWSPDWTOMESFB-SECBINFHSA-N 0 1 260.249 2.835 20 5 CFBDMN CCC[C@H](CC(=O)OCC)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491213 775478925 /nfs/dbraw/zinc/47/89/25/775478925.db2.gz NKNFOPWTRXWDKB-LLVKDONJSA-N 0 1 297.307 2.801 20 5 CFBDMN COC1CCC(Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225490129 775479084 /nfs/dbraw/zinc/47/90/84/775479084.db2.gz GDWYKZBPZMXOEW-UHFFFAOYSA-N 0 1 267.281 2.637 20 5 CFBDMN COC1=CC[C@H](Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225494749 775479825 /nfs/dbraw/zinc/47/98/25/775479825.db2.gz WEADLTFVLSZFSS-NSHDSACASA-N 0 1 265.265 2.762 20 5 CFBDMN CC(C)[N@H+]1CC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225962224 775649130 /nfs/dbraw/zinc/64/91/30/775649130.db2.gz CSMMMSMXYTYWAQ-VIFPVBQESA-N 0 1 286.278 2.735 20 5 CFBDMN CC(C)N1CC[C@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225962224 775649135 /nfs/dbraw/zinc/64/91/35/775649135.db2.gz CSMMMSMXYTYWAQ-VIFPVBQESA-N 0 1 286.278 2.735 20 5 CFBDMN CC(C)[N@H+]1CC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225962222 775649318 /nfs/dbraw/zinc/64/93/18/775649318.db2.gz 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/nfs/dbraw/zinc/21/77/61/351217761.db2.gz WPTLAGGIRQKDOF-UHFFFAOYSA-N 0 1 273.204 2.581 20 5 CFBDMN CC[C@@H](NCc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000610517412 351576394 /nfs/dbraw/zinc/57/63/94/351576394.db2.gz DTGPEMRFRKXJKT-CQSZACIVSA-N 0 1 274.324 2.867 20 5 CFBDMN CC[C@@H](NCc1cc(C)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000610517412 351576398 /nfs/dbraw/zinc/57/63/98/351576398.db2.gz DTGPEMRFRKXJKT-CQSZACIVSA-N 0 1 274.324 2.867 20 5 CFBDMN Cc1nc(Nc2cnn(-c3ccncc3)c2)ccc1[N+](=O)[O-] ZINC000610754830 351604307 /nfs/dbraw/zinc/60/43/07/351604307.db2.gz KRVPRMUDZFPXJP-UHFFFAOYSA-N 0 1 296.290 2.623 20 5 CFBDMN COc1ccc(CN2CC[C@H](C(F)F)C2)cc1[N+](=O)[O-] ZINC000611179467 351649034 /nfs/dbraw/zinc/64/90/34/351649034.db2.gz CRSLYBHSVCMZJE-JTQLQIEISA-N 0 1 286.278 2.690 20 5 CFBDMN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000611222024 351652577 /nfs/dbraw/zinc/65/25/77/351652577.db2.gz HMAXENQELHFMEW-UWVGGRQHSA-N 0 1 269.370 2.575 20 5 CFBDMN C[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611249399 351656996 /nfs/dbraw/zinc/65/69/96/351656996.db2.gz UOOZUWSMXOALMO-LLVKDONJSA-N 0 1 292.335 2.598 20 5 CFBDMN CC1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611249827 351657166 /nfs/dbraw/zinc/65/71/66/351657166.db2.gz YKKCZJPKCNSMFW-UHFFFAOYSA-N 0 1 292.335 2.598 20 5 CFBDMN CC[C@@H]1CCCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611264240 351659980 /nfs/dbraw/zinc/65/99/80/351659980.db2.gz CXAOEAXEXUDHCZ-GFCCVEGCSA-N 0 1 292.335 2.740 20 5 CFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000611268530 351661217 /nfs/dbraw/zinc/66/12/17/351661217.db2.gz DSALKMJUDREARE-ZDUSSCGKSA-N 0 1 262.309 2.675 20 5 CFBDMN O=[N+]([O-])c1ccsc1Nc1cnn(-c2ccccn2)c1 ZINC000611412909 351685930 /nfs/dbraw/zinc/68/59/30/351685930.db2.gz NEGUBBYIAFHBEV-UHFFFAOYSA-N 0 1 287.304 2.981 20 5 CFBDMN CC[C@H](CO)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000122194855 187020426 /nfs/dbraw/zinc/02/04/26/187020426.db2.gz DVCATYOYCGPWIJ-SNVBAGLBSA-N 0 1 275.308 2.634 20 5 CFBDMN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000271524902 191193232 /nfs/dbraw/zinc/19/32/32/191193232.db2.gz OYWWHERCOROLAQ-JTQLQIEISA-N 0 1 277.349 2.945 20 5 CFBDMN CCCCCC(C)(C)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153423323 188081941 /nfs/dbraw/zinc/08/19/41/188081941.db2.gz FYWXVLJFCXBYIG-UHFFFAOYSA-N 0 1 282.344 2.654 20 5 CFBDMN CCCCOC(=O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271797913 191334180 /nfs/dbraw/zinc/33/41/80/191334180.db2.gz WAIVJSBHMUPNCL-LBPRGKRZSA-N 0 1 294.351 2.979 20 5 CFBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1(C)C ZINC000273647740 192246208 /nfs/dbraw/zinc/24/62/08/192246208.db2.gz TXUPJOFHQRNMAH-SNVBAGLBSA-N 0 1 292.335 2.809 20 5 CFBDMN CCC(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000192224588 540435313 /nfs/dbraw/zinc/43/53/13/540435313.db2.gz XDFVCKZMQREBEW-UHFFFAOYSA-N 0 1 290.323 2.637 20 5 CFBDMN C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000177209344 189036918 /nfs/dbraw/zinc/03/69/18/189036918.db2.gz ILUDRMZPNAVJOA-NXEZZACHSA-N 0 1 275.308 2.966 20 5 CFBDMN CCCc1[nH]nc(C(=O)N(CC)C[C@H](C)CC)c1[N+](=O)[O-] ZINC000177993799 189084255 /nfs/dbraw/zinc/08/42/55/189084255.db2.gz XVTDFCIKLRDHIY-SNVBAGLBSA-N 0 1 296.371 2.779 20 5 CFBDMN Cc1ccc(CN2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000179396271 189190996 /nfs/dbraw/zinc/19/09/96/189190996.db2.gz IOHZKRWTMUXFLD-GFCCVEGCSA-N 0 1 264.325 2.514 20 5 CFBDMN COc1cc(CN(C)CC2CC2)c([N+](=O)[O-])cc1F ZINC000184247393 189380611 /nfs/dbraw/zinc/38/06/11/189380611.db2.gz ZQTFECQGWYQLOR-UHFFFAOYSA-N 0 1 268.288 2.584 20 5 CFBDMN CN(C)[C@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000301941091 201270386 /nfs/dbraw/zinc/27/03/86/201270386.db2.gz VMYWKFIPCVOQCR-SNVBAGLBSA-N 0 1 281.337 2.964 20 5 CFBDMN COCC(C)(C)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000426419278 239223579 /nfs/dbraw/zinc/22/35/79/239223579.db2.gz INKMRFGQSIBSAI-UHFFFAOYSA-N 0 1 278.352 2.626 20 5 CFBDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330925 241051388 /nfs/dbraw/zinc/05/13/88/241051388.db2.gz USPMPWQFYMKBPR-UEKVPHQBSA-N 0 1 296.342 2.715 20 5 CFBDMN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H](C)O1 ZINC000446086325 241278038 /nfs/dbraw/zinc/27/80/38/241278038.db2.gz YWFGCVUKEQLHSP-AGIUHOORSA-N 0 1 278.352 2.635 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCSC[C@@H]2C2CC2)c1 ZINC000449528398 242005399 /nfs/dbraw/zinc/00/53/99/242005399.db2.gz PCDGBPJGDYWWEL-CQSZACIVSA-N 0 1 278.377 2.922 20 5 CFBDMN C[C@H]1CC[C@H](N(CCO)Cc2csc([N+](=O)[O-])c2)C1 ZINC000330851233 203312062 /nfs/dbraw/zinc/31/20/62/203312062.db2.gz NOGMSIMIRRSEMC-JQWIXIFHSA-N 0 1 284.381 2.639 20 5 CFBDMN Cc1cc(N(C)CCCCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000276234095 193252228 /nfs/dbraw/zinc/25/22/28/193252228.db2.gz NYGDCGYYOQLBOG-UHFFFAOYSA-N 0 1 289.335 2.660 20 5 CFBDMN CCOC[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000459669604 245267177 /nfs/dbraw/zinc/26/71/77/245267177.db2.gz DPWUEKHBCXCASZ-ZDUSSCGKSA-N 0 1 294.351 2.691 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOC[C@@H](C)C1 ZINC000332297607 204579867 /nfs/dbraw/zinc/57/98/67/204579867.db2.gz URWJKGTYWIZFGH-RYUDHWBXSA-N 0 1 264.325 2.624 20 5 CFBDMN CCCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000024165785 372272587 /nfs/dbraw/zinc/27/25/87/372272587.db2.gz OHJIOHLUPIOPOV-UHFFFAOYSA-N 0 1 279.340 2.574 20 5 CFBDMN CCCCOCCNCc1ccccc1[N+](=O)[O-] ZINC000041066816 372809521 /nfs/dbraw/zinc/80/95/21/372809521.db2.gz QFTZPPCJJWJAKC-UHFFFAOYSA-N 0 1 252.314 2.501 20 5 CFBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000048579937 373203586 /nfs/dbraw/zinc/20/35/86/373203586.db2.gz CNJBSABIZUNBCU-UHFFFAOYSA-N 0 1 297.742 2.529 20 5 CFBDMN C[C@@H](Cn1cccn1)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443674 373379005 /nfs/dbraw/zinc/37/90/05/373379005.db2.gz YUYLGWPSNPEPEB-JTQLQIEISA-N 0 1 294.742 2.623 20 5 CFBDMN C[C@@H](N[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000062999672 373778621 /nfs/dbraw/zinc/77/86/21/373778621.db2.gz DFUVRNMWDQNBGO-WBMJQRKESA-N 0 1 286.331 2.979 20 5 CFBDMN O=[N+]([O-])c1ccccc1N1CCN([C@@H]2C=CCCC2)CC1 ZINC000066472370 373934342 /nfs/dbraw/zinc/93/43/42/373934342.db2.gz RUNHPOQTIYSCDA-CQSZACIVSA-N 0 1 287.363 2.826 20 5 CFBDMN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000068475304 374030262 /nfs/dbraw/zinc/03/02/62/374030262.db2.gz OMWFUSUPEFHSDT-GFCCVEGCSA-N 0 1 278.352 2.637 20 5 CFBDMN CC(C)(O)[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000119217338 376375668 /nfs/dbraw/zinc/37/56/68/376375668.db2.gz IOIDLARLOOZLAS-ZDUSSCGKSA-N 0 1 298.770 2.984 20 5 CFBDMN CN(CC(C)(C)C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000263735308 190075625 /nfs/dbraw/zinc/07/56/25/190075625.db2.gz AJXJGFQJFAPQBJ-UHFFFAOYSA-N 0 1 290.323 2.589 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000120135476 376554426 /nfs/dbraw/zinc/55/44/26/376554426.db2.gz CRCLLFQOKACFNT-TXEJJXNPSA-N 0 1 291.351 2.715 20 5 CFBDMN C[C@@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CN1C1CC1 ZINC000121759432 376900015 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CC(C)OCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000171497740 379322543 /nfs/dbraw/zinc/32/25/43/379322543.db2.gz SRHZPRBKJAAAOR-UHFFFAOYSA-N 0 1 266.341 2.842 20 5 CFBDMN COC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000267054442 190299755 /nfs/dbraw/zinc/29/97/55/190299755.db2.gz RJHVVYNAEOUNDW-UHFFFAOYSA-N 0 1 298.314 2.507 20 5 CFBDMN C[C@H](NCc1ccc(C(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178639781 380473862 /nfs/dbraw/zinc/47/38/62/380473862.db2.gz ILAMQVSFIQTFOQ-NSHDSACASA-N 0 1 299.330 2.545 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411949007 381068694 /nfs/dbraw/zinc/06/86/94/381068694.db2.gz QEJOXYJAEJFJAN-IAGOWNOFSA-N 0 1 298.342 2.903 20 5 CFBDMN C[C@]1(F)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347397573 381123122 /nfs/dbraw/zinc/12/31/22/381123122.db2.gz WLCYYTAYZPZMBX-ZDUSSCGKSA-N 0 1 252.289 2.571 20 5 CFBDMN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000412077341 381146121 /nfs/dbraw/zinc/14/61/21/381146121.db2.gz JWKJJVNUZRBHRI-ZYHUDNBSSA-N 0 1 298.770 2.841 20 5 CFBDMN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182666496 381133405 /nfs/dbraw/zinc/13/34/05/381133405.db2.gz QENRXORLGOCCAA-SJORKVTESA-N 0 1 298.342 2.685 20 5 CFBDMN COc1cc([C@H](C)NCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347531870 381203783 /nfs/dbraw/zinc/20/37/83/381203783.db2.gz CJVBJRVOWQJTOU-NSHDSACASA-N 0 1 287.319 2.849 20 5 CFBDMN Cc1cnn([C@H]2CCN(Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000289903202 381212031 /nfs/dbraw/zinc/21/20/31/381212031.db2.gz NNNFOTJUUKLYPY-AWEZNQCLSA-N 0 1 286.335 2.547 20 5 CFBDMN C[C@H](CNCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000359111396 381272269 /nfs/dbraw/zinc/27/22/69/381272269.db2.gz BIWJECZQDQXIJB-MRVPVSSYSA-N 0 1 262.231 2.883 20 5 CFBDMN CC[C@@H]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184234158 381390017 /nfs/dbraw/zinc/39/00/17/381390017.db2.gz KAZANAAQEAOCPV-SNVBAGLBSA-N 0 1 282.315 2.974 20 5 CFBDMN CCOC(=O)C[C@@H](C)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000412991245 381524205 /nfs/dbraw/zinc/52/42/05/381524205.db2.gz 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O=C(O[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000920129720 624686219 /nfs/dbraw/zinc/68/62/19/624686219.db2.gz OEBAUTZUIKHHOO-GFCCVEGCSA-N 0 1 272.260 2.767 20 5 CFBDMN CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000831533715 625044637 /nfs/dbraw/zinc/04/46/37/625044637.db2.gz KBTDBPHPFYNCIR-IINYFYTJSA-N 0 1 282.315 2.591 20 5 CFBDMN CC(C)c1ccc(CNCC2OCCCO2)cc1[N+](=O)[O-] ZINC000922277521 626257326 /nfs/dbraw/zinc/25/73/26/626257326.db2.gz UMJCCDJBNIDLKK-UHFFFAOYSA-N 0 1 294.351 2.571 20 5 CFBDMN C[C@@H](NCc1cnc(Cl)n1C)c1ccc([N+](=O)[O-])cc1 ZINC000922542302 626306792 /nfs/dbraw/zinc/30/67/92/626306792.db2.gz UGBUIWHPMGZALS-SECBINFHSA-N 0 1 294.742 2.833 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@]23C[C@H]2COC32CCC2)c(F)c1 ZINC000923030350 626444155 /nfs/dbraw/zinc/44/41/55/626444155.db2.gz GHPZJOPFBYEMBR-XHDPSFHLSA-N 0 1 292.310 2.535 20 5 CFBDMN CC(C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839466925 626537483 /nfs/dbraw/zinc/53/74/83/626537483.db2.gz JZWDRIVOPMYYCE-HZSPNIEDSA-N 0 1 276.336 2.555 20 5 CFBDMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839507293 626538338 /nfs/dbraw/zinc/53/83/38/626538338.db2.gz HLEKSKSDKINHJG-GGZOMVNGSA-N 0 1 282.727 2.525 20 5 CFBDMN CCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000839603047 626547738 /nfs/dbraw/zinc/54/77/38/626547738.db2.gz NXGZNDTYHVIXBM-YNEHKIRRSA-N 0 1 294.351 2.943 20 5 CFBDMN CC1(C)CC[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000839605221 626547867 /nfs/dbraw/zinc/54/78/67/626547867.db2.gz SJLNHRYAPLBISF-MRVWCRGKSA-N 0 1 288.347 2.581 20 5 CFBDMN C[C@H]1CC[C@H](c2ccccc2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839762556 626553747 /nfs/dbraw/zinc/55/37/47/626553747.db2.gz RZUAXOIDNSGUOH-ZGKBOVNRSA-N 0 1 288.347 2.651 20 5 CFBDMN CCCCC[C@@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000767763191 627282813 /nfs/dbraw/zinc/28/28/13/627282813.db2.gz RZAHMUVSUKOFKD-GFCCVEGCSA-N 0 1 266.345 2.794 20 5 CFBDMN O=C1Nc2ccccc2/C1=C\c1cc(O)ccc1[N+](=O)[O-] 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CFBDMN O=C(Nc1c[nH]nn1)c1cc2ccccc2c2cccnc12 ZINC000798248386 630173989 /nfs/dbraw/zinc/17/39/89/630173989.db2.gz XRSNZLANLONONY-UHFFFAOYSA-N 0 1 289.298 2.758 20 5 CFBDMN CC(C)[C@H](C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000798819605 630242677 /nfs/dbraw/zinc/24/26/77/630242677.db2.gz CEFBQBWKIVYJPT-BXUZGUMPSA-N 0 1 294.351 2.785 20 5 CFBDMN CC1(C)CC(COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000802294180 630524645 /nfs/dbraw/zinc/52/46/45/630524645.db2.gz OVDJHRHWRFHYRV-UHFFFAOYSA-N 0 1 252.270 2.516 20 5 CFBDMN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)N(C)C ZINC000803613681 630631179 /nfs/dbraw/zinc/63/11/79/630631179.db2.gz IVPFRIWFEJEOQY-JTQLQIEISA-N 0 1 293.367 2.781 20 5 CFBDMN CCCCO[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837472769 631041868 /nfs/dbraw/zinc/04/18/68/631041868.db2.gz WNQAJCBXTYHNHT-SNVBAGLBSA-N 0 1 297.307 2.549 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC12CCCC2 ZINC000837557680 631065817 /nfs/dbraw/zinc/06/58/17/631065817.db2.gz PGGVBFPRKUKHGT-GFCCVEGCSA-N 0 1 291.303 2.924 20 5 CFBDMN CSc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl ZINC000840509673 631160582 /nfs/dbraw/zinc/16/05/82/631160582.db2.gz JZWYWLXMJDNFKL-VXNVDRBHSA-N 0 1 286.740 2.666 20 5 CFBDMN O=C(OCCCCCCF)c1ccc([N+](=O)[O-])[nH]1 ZINC000810909388 631473608 /nfs/dbraw/zinc/47/36/08/631473608.db2.gz DCYQLQJEKVJHEN-UHFFFAOYSA-N 0 1 258.249 2.610 20 5 CFBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000842302358 631583803 /nfs/dbraw/zinc/58/38/03/631583803.db2.gz KWHHRVFSMUXKQG-KNBVPPQFSA-N 0 1 287.674 2.749 20 5 CFBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000844837303 632320650 /nfs/dbraw/zinc/32/06/50/632320650.db2.gz ZQGLCWMZFQOARX-PRHODGIISA-N 0 1 298.726 2.686 20 5 CFBDMN O=C([O-])C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1 ZINC000844837080 632320745 /nfs/dbraw/zinc/32/07/45/632320745.db2.gz FNOIOJPHDXZETG-UHFFFAOYSA-N 0 1 298.726 2.545 20 5 CFBDMN CCC(CC)(COC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000847985476 633176526 /nfs/dbraw/zinc/17/65/26/633176526.db2.gz ZHDDOQSHWVCMBJ-HTQZYQBOSA-N 0 1 283.246 2.564 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000850388571 633972526 /nfs/dbraw/zinc/97/25/26/633972526.db2.gz OCVVNSYSXDUFJG-CHWSQXEVSA-N 0 1 296.754 2.641 20 5 CFBDMN CCCN(CC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492884 635016758 /nfs/dbraw/zinc/01/67/58/635016758.db2.gz DTLPWFYCMPNCRR-UHFFFAOYSA-N 0 1 289.339 2.543 20 5 CFBDMN O=[N+]([O-])c1cnn(CN2CCCC[C@@H]2CC2CCC2)c1 ZINC000853605982 635048193 /nfs/dbraw/zinc/04/81/93/635048193.db2.gz OUVDFJAINXSASO-CYBMUJFWSA-N 0 1 278.356 2.794 20 5 CFBDMN C[C@H]1C[C@H](c2ccccc2)CN1Cn1nccc1[N+](=O)[O-] ZINC000115512572 636017480 /nfs/dbraw/zinc/01/74/80/636017480.db2.gz NCYJDEQTLAAUDP-JSGCOSHPSA-N 0 1 286.335 2.627 20 5 CFBDMN CCCCCN(Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000116256273 636323824 /nfs/dbraw/zinc/32/38/24/636323824.db2.gz XJSARVVFMCWSRA-UHFFFAOYSA-N 0 1 254.334 2.649 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCC12CC2 ZINC000860176062 636814471 /nfs/dbraw/zinc/81/44/71/636814471.db2.gz MLBKKPMFVRBNAA-LBPRGKRZSA-N 0 1 291.303 2.924 20 5 CFBDMN Cc1c(CNc2ccc3nn[nH]c3c2)cccc1[N+](=O)[O-] ZINC000864019284 637835490 /nfs/dbraw/zinc/83/54/90/637835490.db2.gz YNLZGDHSPGNKDD-UHFFFAOYSA-N 0 1 283.291 2.787 20 5 CFBDMN Cc1c(CNc2ccc3n[nH]nc3c2)cccc1[N+](=O)[O-] ZINC000864019284 637835496 /nfs/dbraw/zinc/83/54/96/637835496.db2.gz YNLZGDHSPGNKDD-UHFFFAOYSA-N 0 1 283.291 2.787 20 5 CFBDMN CCN1C(=O)N=NC1SCc1ccc(C)c([N+](=O)[O-])c1 ZINC000865346380 638275232 /nfs/dbraw/zinc/27/52/32/638275232.db2.gz LOXUEVMXFPYYKW-UHFFFAOYSA-N 0 1 294.336 2.513 20 5 CFBDMN O=[N+]([O-])c1cccc(CN[C@@H]2CCCC[C@@H]2F)c1 ZINC000865698651 638522305 /nfs/dbraw/zinc/52/23/05/638522305.db2.gz DYSJYBACMFJINY-QWHCGFSZSA-N 0 1 252.289 2.965 20 5 CFBDMN Cc1ccc(O)c(CNCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000865787460 638573890 /nfs/dbraw/zinc/57/38/90/638573890.db2.gz NJTVGNFYYSNYNZ-UHFFFAOYSA-N 0 1 287.319 2.602 20 5 CFBDMN O=[N+]([O-])c1ccc2cnn(CN3CCC4(CCC4)C3)c2c1 ZINC000121836941 638897716 /nfs/dbraw/zinc/89/77/16/638897716.db2.gz PDWNVJNCVOLIIB-UHFFFAOYSA-N 0 1 286.335 2.778 20 5 CFBDMN CC(C)C[C@@H]1CCCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000122169133 638949172 /nfs/dbraw/zinc/94/91/72/638949172.db2.gz IEQZNQJDUPWFIR-LBPRGKRZSA-N 0 1 266.345 2.649 20 5 CFBDMN Cc1cc(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872039314 641573768 /nfs/dbraw/zinc/57/37/68/641573768.db2.gz SHXBNYWXNRGWIF-SECBINFHSA-N 0 1 278.287 2.616 20 5 CFBDMN CC(C)[C@@H](CO)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071148 641602812 /nfs/dbraw/zinc/60/28/12/641602812.db2.gz LALSCIXDZLLQLA-WDEREUQCSA-N 0 1 284.331 2.649 20 5 CFBDMN C[C@@H](NC[C@@H]1CCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872078880 641611300 /nfs/dbraw/zinc/61/13/00/641611300.db2.gz TYFKJWAKYBDMEY-GBIKHYSHSA-N 0 1 282.315 2.546 20 5 CFBDMN C[C@H](N[C@H]1C[C@H](O)C12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872083876 641617956 /nfs/dbraw/zinc/61/79/56/641617956.db2.gz BSAVATYGWQKYNJ-XDTLVQLUSA-N 0 1 294.326 2.688 20 5 CFBDMN CCC[C@H](CCO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094069 641625741 /nfs/dbraw/zinc/62/57/41/641625741.db2.gz YQDDVRMNOLWOBD-WDEREUQCSA-N 0 1 284.331 2.936 20 5 CFBDMN CC[C@H](C[C@H](C)O)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094982 641626339 /nfs/dbraw/zinc/62/63/39/641626339.db2.gz QKFKPFFEGGETNE-HBNTYKKESA-N 0 1 284.331 2.934 20 5 CFBDMN Cc1nn(CN(C)C[C@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000872818141 641945829 /nfs/dbraw/zinc/94/58/29/641945829.db2.gz GZJGSMVCAUKJKR-JTQLQIEISA-N 0 1 282.388 2.980 20 5 CFBDMN CCn1cc(CNCc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000873054124 641997593 /nfs/dbraw/zinc/99/75/93/641997593.db2.gz LWINRFNOFZBJLO-UHFFFAOYSA-N 0 1 288.351 2.718 20 5 CFBDMN Cc1noc(CN[C@H](C)[C@@]23C[C@@H]2CCCC3)c1[N+](=O)[O-] ZINC000879265904 644201585 /nfs/dbraw/zinc/20/15/85/644201585.db2.gz LHBWVOBRGWMFCP-UHIISALHSA-N 0 1 279.340 2.950 20 5 CFBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879555640 644317554 /nfs/dbraw/zinc/31/75/54/644317554.db2.gz AILIJIOMTKVYMT-JQWIXIFHSA-N 0 1 296.367 2.919 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CF)C1 ZINC000880231307 644591884 /nfs/dbraw/zinc/59/18/84/644591884.db2.gz XXMRFQUUCLEUCX-LLVKDONJSA-N 0 1 282.315 2.785 20 5 CFBDMN CCN1CC[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000882961054 645531982 /nfs/dbraw/zinc/53/19/82/645531982.db2.gz DAFXTYWFDWNGHP-SNVBAGLBSA-N 0 1 292.364 2.711 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCC3)O2)c(F)c1 ZINC000883363766 645770302 /nfs/dbraw/zinc/77/03/02/645770302.db2.gz MRXVOKOMJCDQQO-CYBMUJFWSA-N 0 1 294.326 2.925 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000886021479 646824386 /nfs/dbraw/zinc/82/43/86/646824386.db2.gz XHWIYVDRCNDXQC-AAEUAGOBSA-N 0 1 261.325 2.754 20 5 CFBDMN CN(Cc1cccnc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000886146709 646895566 /nfs/dbraw/zinc/89/55/66/646895566.db2.gz ANPNLARSERBGKS-UHFFFAOYSA-N 0 1 293.367 2.507 20 5 CFBDMN O=C(NC[C@]12C[C@H]1CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000927432991 648777008 /nfs/dbraw/zinc/77/70/08/648777008.db2.gz BXBSEJVZESYGLU-ABAIWWIYSA-N 0 1 290.319 2.611 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1C(C)C ZINC000929132635 648987132 /nfs/dbraw/zinc/98/71/32/648987132.db2.gz FVZVJYZDSNVYKY-CQSZACIVSA-N 0 1 291.351 2.715 20 5 CFBDMN O=[N+]([O-])CCN[C@H](c1ccccc1F)C1CCCC1 ZINC000930233435 649211228 /nfs/dbraw/zinc/21/12/28/649211228.db2.gz QKDLROWVYNDRRK-AWEZNQCLSA-N 0 1 266.316 2.923 20 5 CFBDMN Cc1nc(C)c(CN(C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000930439524 649247888 /nfs/dbraw/zinc/24/78/88/649247888.db2.gz JATKRASCCPKFNV-UHFFFAOYSA-N 0 1 288.351 2.609 20 5 CFBDMN CC(C)(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(F)c1 ZINC001125429459 770379786 /nfs/dbraw/zinc/37/97/86/770379786.db2.gz WDQXLIACBHBRLO-UPJWGTAASA-N 0 1 294.326 2.694 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H](CO)CC1 ZINC000293093020 775561483 /nfs/dbraw/zinc/56/14/83/775561483.db2.gz KOSYBWKTMBYESC-NSHDSACASA-N 0 1 298.770 2.843 20 5 CFBDMN CCN1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225943340 775643470 /nfs/dbraw/zinc/64/34/70/775643470.db2.gz YYMLITWJXLYONA-NSHDSACASA-N 0 1 268.288 2.597 20 5 CFBDMN CCN1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2F)C1 ZINC001225943338 775643891 /nfs/dbraw/zinc/64/38/91/775643891.db2.gz YYMLITWJXLYONA-LLVKDONJSA-N 0 1 268.288 2.597 20 5 CFBDMN CCN1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226195935 775734224 /nfs/dbraw/zinc/73/42/24/775734224.db2.gz NEFBHVHEYVTKBN-QMMMGPOBSA-N 0 1 288.706 2.860 20 5 CFBDMN O=[N+]([O-])C[C@@H](Oc1nc2ccc(Cl)cc2[nH]1)C1CC1 ZINC001227262562 776162637 /nfs/dbraw/zinc/16/26/37/776162637.db2.gz SIDGURLVHUGCAJ-LLVKDONJSA-N 0 1 281.699 2.650 20 5 CFBDMN CN1CCC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC001228209680 776422498 /nfs/dbraw/zinc/42/24/98/776422498.db2.gz WBJKZFFAWMOBNQ-JTQLQIEISA-N 0 1 293.348 2.678 20 5 CFBDMN Cc1cc(C)c(O[C@@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001228229711 776427840 /nfs/dbraw/zinc/42/78/40/776427840.db2.gz KWNBBBQVBAITOY-CQSZACIVSA-N 0 1 276.336 2.685 20 5 CFBDMN O=[N+]([O-])c1cc(CNC[C@H]2CC[C@@H](C3CC3)O2)cs1 ZINC000722319644 776448638 /nfs/dbraw/zinc/44/86/38/776448638.db2.gz JRDRKIGVJVJYIC-NEPJUHHUSA-N 0 1 282.365 2.704 20 5 CFBDMN CC(=O)c1cc(C)cc([N+](=O)[O-])c1OC1CCN(C)CC1 ZINC001228454202 776496209 /nfs/dbraw/zinc/49/62/09/776496209.db2.gz VAJLKAXTRFJKCF-UHFFFAOYSA-N 0 1 292.335 2.579 20 5 CFBDMN C[C@H](Oc1[nH]c(=O)ncc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001228482733 776502996 /nfs/dbraw/zinc/50/29/96/776502996.db2.gz PMYVDQKHGCINDC-ZETCQYMHSA-N 0 1 295.682 2.884 20 5 CFBDMN C[C@@H]1CCCC[C@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228602830 776535684 /nfs/dbraw/zinc/53/56/84/776535684.db2.gz FYXLHDVZCHOTMK-PSASIEDQSA-N 0 1 293.323 2.925 20 5 CFBDMN C[C@@H]1CCC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602839 776536004 /nfs/dbraw/zinc/53/60/04/776536004.db2.gz GBWQDLFKVDCERZ-SCZZXKLOSA-N 0 1 293.323 2.925 20 5 CFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)C(C)C)cc1O ZINC001228808567 776620010 /nfs/dbraw/zinc/62/00/10/776620010.db2.gz CASRGZFUGHSKRU-QMMMGPOBSA-N 0 1 283.280 2.510 20 5 CFBDMN CCC(CC)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228808641 776620091 /nfs/dbraw/zinc/62/00/91/776620091.db2.gz CSJKQNRYSGOXKQ-UHFFFAOYSA-N 0 1 283.280 2.654 20 5 CFBDMN CC[C@@H](C)[C@@H](C)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228813673 776621209 /nfs/dbraw/zinc/62/12/09/776621209.db2.gz FQYOVZDVVVUNDL-RKDXNWHRSA-N 0 1 297.307 2.900 20 5 CFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCC[C@@H]2C)cc1O ZINC001228811016 776621686 /nfs/dbraw/zinc/62/16/86/776621686.db2.gz MLWWTNQSOYUPGB-QPUJVOFHSA-N 0 1 295.291 2.654 20 5 CFBDMN C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])C1CC1 ZINC001228863298 776638143 /nfs/dbraw/zinc/63/81/43/776638143.db2.gz WRCHOCFVVQMOLH-YFKPBYRVSA-N 0 1 292.213 2.892 20 5 CFBDMN C[C@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])C1CC1 ZINC001228863298 776638144 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GZLNLSBIOBLYSG-UHFFFAOYSA-N 0 1 282.300 2.874 20 5 CFBDMN CC[C@H]1[C@H](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185616568 381682929 /nfs/dbraw/zinc/68/29/29/381682929.db2.gz QTWZJDPDHPYJRR-YPMHNXCESA-N 0 1 291.351 2.654 20 5 CFBDMN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC2[N+](=O)[O-])o1 ZINC000371765035 381696247 /nfs/dbraw/zinc/69/62/47/381696247.db2.gz JPANXBGNPMVFLT-AVGNSLFASA-N 0 1 292.335 2.561 20 5 CFBDMN CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000359968172 381703593 /nfs/dbraw/zinc/70/35/93/381703593.db2.gz OCFMVYXRYZRVOS-NSHDSACASA-N 0 1 281.331 2.573 20 5 CFBDMN C/C=C/C[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000185821613 381745742 /nfs/dbraw/zinc/74/57/42/381745742.db2.gz XBGASYCPDHPOFX-VUDBWIFFSA-N 0 1 284.743 2.665 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN(C(C)C)[C@@H]1CCOC1 ZINC000291833751 381774064 /nfs/dbraw/zinc/77/40/64/381774064.db2.gz OGOVNXGTOUWFHD-CQSZACIVSA-N 0 1 294.351 2.603 20 5 CFBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](c1ccccc1)C1CC1 ZINC000343591538 381822165 /nfs/dbraw/zinc/82/21/65/381822165.db2.gz ZFUJZQJNKWNLHR-AWEZNQCLSA-N 0 1 286.335 2.569 20 5 CFBDMN C[C@@H]1[C@H](C)N(C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349210500 381849752 /nfs/dbraw/zinc/84/97/52/381849752.db2.gz FHNDVKFLCSDKPN-VHSXEESVSA-N 0 1 283.759 2.777 20 5 CFBDMN Cc1cccc2c1N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000356947079 381918176 /nfs/dbraw/zinc/91/81/76/381918176.db2.gz CNLSJDOGMHGSMV-UHFFFAOYSA-N 0 1 298.298 2.812 20 5 CFBDMN COc1cc(CN2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000351938522 382079809 /nfs/dbraw/zinc/07/98/09/382079809.db2.gz WLTOXWYLBCEFON-MNOVXSKESA-N 0 1 296.392 2.929 20 5 CFBDMN C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000376409112 382134440 /nfs/dbraw/zinc/13/44/40/382134440.db2.gz RZUAXOIDNSGUOH-NMFUWQPSSA-N 0 1 288.347 2.651 20 5 CFBDMN Cc1nc(N[C@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000363449416 382233257 /nfs/dbraw/zinc/23/32/57/382233257.db2.gz KNEMXCMCTLHDEG-AWEZNQCLSA-N 0 1 298.346 2.897 20 5 CFBDMN O=[N+]([O-])c1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000376923595 382191689 /nfs/dbraw/zinc/19/16/89/382191689.db2.gz BKHFCUXJBQVSJS-CQSZACIVSA-N 0 1 295.302 2.914 20 5 CFBDMN Cc1ccc(O)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000357676816 382274046 /nfs/dbraw/zinc/27/40/46/382274046.db2.gz VSZWPSSJHNBIEI-UHFFFAOYSA-N 0 1 288.259 2.567 20 5 CFBDMN Cc1ncc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000293862056 382311278 /nfs/dbraw/zinc/31/12/78/382311278.db2.gz UPLWXAYLIGOEBA-QMMMGPOBSA-N 0 1 292.364 2.793 20 5 CFBDMN Cc1c(Nc2ncc([N+](=O)[O-])cn2)cnn1C1CCCC1 ZINC000302891860 382345877 /nfs/dbraw/zinc/34/58/77/382345877.db2.gz PUFYIRJMBSZDIN-UHFFFAOYSA-N 0 1 288.311 2.748 20 5 CFBDMN C[C@@H](CO)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352555359 382394455 /nfs/dbraw/zinc/39/44/55/382394455.db2.gz MCOPCTXQSHTVHJ-LRDDRELGSA-N 0 1 286.331 2.655 20 5 CFBDMN C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)O1 ZINC000294949812 382545717 /nfs/dbraw/zinc/54/57/17/382545717.db2.gz CCBNPSXRDLXEHW-VYUIOLGVSA-N 0 1 284.743 2.904 20 5 CFBDMN CO[C@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000189107787 382545683 /nfs/dbraw/zinc/54/56/83/382545683.db2.gz ZUHLUTNPJIRGMX-DTWKUNHWSA-N 0 1 272.732 2.761 20 5 CFBDMN C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCS1 ZINC000192190100 382705408 /nfs/dbraw/zinc/70/54/08/382705408.db2.gz DYQWJRZAQLRBBJ-LBPRGKRZSA-N 0 1 296.392 2.801 20 5 CFBDMN C[C@H](NCCn1cc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000336839513 382730925 /nfs/dbraw/zinc/73/09/25/382730925.db2.gz OTWVCOOHMUQTNX-JTQLQIEISA-N 0 1 294.742 2.796 20 5 CFBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@H]2OC(F)F)cs1 ZINC000337288066 382794796 /nfs/dbraw/zinc/79/47/96/382794796.db2.gz LJDKDAZZCWPELV-RKDXNWHRSA-N 0 1 292.307 2.906 20 5 CFBDMN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000575919987 382803878 /nfs/dbraw/zinc/80/38/78/382803878.db2.gz GNRYJUTWGIPCIL-UHFFFAOYSA-N 0 1 280.324 2.692 20 5 CFBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000337681676 382854831 /nfs/dbraw/zinc/85/48/31/382854831.db2.gz IBBSYKXXTRCZGE-JQWIXIFHSA-N 0 1 291.351 2.572 20 5 CFBDMN CCOc1cccc(NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000338709032 383029809 /nfs/dbraw/zinc/02/98/09/383029809.db2.gz BAVGNXFQQHFUPE-UHFFFAOYSA-N 0 1 291.351 2.667 20 5 CFBDMN CC[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000339083972 383143814 /nfs/dbraw/zinc/14/38/14/383143814.db2.gz ONZDILRJLDWXPV-NSHDSACASA-N 0 1 293.348 2.998 20 5 CFBDMN CO[C@@H](C)C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000339003210 383116848 /nfs/dbraw/zinc/11/68/48/383116848.db2.gz GJNCMLAJXPZYDW-NSHDSACASA-N 0 1 282.340 2.546 20 5 CFBDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339003193 383117208 /nfs/dbraw/zinc/11/72/08/383117208.db2.gz FXEYDZXNRZMBNF-ZJUUUORDSA-N 0 1 250.298 2.531 20 5 CFBDMN Cc1cc(CNCc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000449403461 383266451 /nfs/dbraw/zinc/26/64/51/383266451.db2.gz PYTSQXGFHJSETD-UHFFFAOYSA-N 0 1 271.320 2.896 20 5 CFBDMN CC(C)CC[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000519797887 383235320 /nfs/dbraw/zinc/23/53/20/383235320.db2.gz OTRMUAMWDBLLNX-AWEZNQCLSA-N 0 1 292.379 2.750 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[C@H]1O ZINC000248411260 383237877 /nfs/dbraw/zinc/23/78/77/383237877.db2.gz DPRFWMGTJRCRGW-BXUZGUMPSA-N 0 1 298.770 2.841 20 5 CFBDMN CCO[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449492699 383330268 /nfs/dbraw/zinc/33/02/68/383330268.db2.gz JWUPWPFBIIZSAB-NHYWBVRUSA-N 0 1 294.351 2.547 20 5 CFBDMN CCO[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000449492700 383330615 /nfs/dbraw/zinc/33/06/15/383330615.db2.gz JWUPWPFBIIZSAB-XHDPSFHLSA-N 0 1 294.351 2.547 20 5 CFBDMN CO[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1(C)C ZINC000449498318 383335550 /nfs/dbraw/zinc/33/55/50/383335550.db2.gz KCVMNBCIPVMNEM-AWEZNQCLSA-N 0 1 294.351 2.547 20 5 CFBDMN CC(C)OC1CC(N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459343125 383286018 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CC[C@@H](C)[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000265696747 383979957 /nfs/dbraw/zinc/97/99/57/383979957.db2.gz PCNDNVVHXROISH-MWLCHTKSSA-N 0 1 294.355 2.667 20 5 CFBDMN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000265696748 383980109 /nfs/dbraw/zinc/98/01/09/383980109.db2.gz PCNDNVVHXROISH-ONGXEEELSA-N 0 1 294.355 2.667 20 5 CFBDMN CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000573855664 384001458 /nfs/dbraw/zinc/00/14/58/384001458.db2.gz QUDRSLLELQIBLN-ZDUSSCGKSA-N 0 1 280.324 2.670 20 5 CFBDMN O=[N+]([O-])c1ccc(CN(C[C@@H]2CCCO2)C2CC2)cc1 ZINC000130525289 285111905 /nfs/dbraw/zinc/11/19/05/285111905.db2.gz BJIUMSZBKRDHOM-HNNXBMFYSA-N 0 1 276.336 2.738 20 5 CFBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000268256088 384582226 /nfs/dbraw/zinc/58/22/26/384582226.db2.gz YANJIISNXXXALH-NSHDSACASA-N 0 1 294.355 2.667 20 5 CFBDMN C[C@@H]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269128882 384727496 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292.257 2.823 20 5 CFBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CCCC3)c2)cc1 ZINC000728896619 574134953 /nfs/dbraw/zinc/13/49/53/574134953.db2.gz RMDJJIMKSFPSML-UHFFFAOYSA-N 0 1 272.308 2.512 20 5 CFBDMN CN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728897329 574135392 /nfs/dbraw/zinc/13/53/92/574135392.db2.gz PHSBWLIMEHOKHT-UHFFFAOYSA-N 0 1 272.308 2.510 20 5 CFBDMN C[C@@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@H](C)C1 ZINC000737344357 574136788 /nfs/dbraw/zinc/13/67/88/574136788.db2.gz HSRUYNHGMCWSAS-KKZNHRDASA-N 0 1 266.297 2.904 20 5 CFBDMN CCC1(CC)CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000755931519 574198973 /nfs/dbraw/zinc/19/89/73/574198973.db2.gz PCWWDXRAQZDBRT-UHFFFAOYSA-N 0 1 280.372 2.878 20 5 CFBDMN CC[C@H](C(=O)OCc1ccccc1[N+](=O)[O-])N(CC)CC ZINC000741033707 574278771 /nfs/dbraw/zinc/27/87/71/574278771.db2.gz UERATNMDKLKGCW-CYBMUJFWSA-N 0 1 294.351 2.758 20 5 CFBDMN CO[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000749841174 574312045 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CCC(=O)c1ccc(N(C)Cc2cnc[nH]2)c([N+](=O)[O-])c1 ZINC000853743822 635090543 /nfs/dbraw/zinc/09/05/43/635090543.db2.gz VVZMOOXENMVJDL-UHFFFAOYSA-N 0 1 288.307 2.547 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1CSCCOC(F)F ZINC000853796201 635109944 /nfs/dbraw/zinc/10/99/44/635109944.db2.gz PXNMCXZPJVWMBT-UHFFFAOYSA-N 0 1 279.264 2.773 20 5 CFBDMN CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855237025 635490913 /nfs/dbraw/zinc/49/09/13/635490913.db2.gz FEDDXJGAOONCIZ-BXKDBHETSA-N 0 1 297.742 2.764 20 5 CFBDMN O=C(Nc1ccc2c(c1)C=CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855859585 635674452 /nfs/dbraw/zinc/67/44/52/635674452.db2.gz VRRDDOKEUBJPJD-ZIAGYGMSSA-N 0 1 272.304 2.640 20 5 CFBDMN CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865398474 638308939 /nfs/dbraw/zinc/30/89/39/638308939.db2.gz WJPHZFAXUNFJCN-UHFFFAOYSA-N 0 1 285.294 2.674 20 5 CFBDMN Cc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000866479178 638827902 /nfs/dbraw/zinc/82/79/02/638827902.db2.gz QYFMLUWMEKNEMN-SNVBAGLBSA-N 0 1 275.308 2.929 20 5 CFBDMN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000866613050 638854596 /nfs/dbraw/zinc/85/45/96/638854596.db2.gz DZAGUQGRCZPTGN-GWCFXTLKSA-N 0 1 286.335 2.666 20 5 CFBDMN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000866613053 638854714 /nfs/dbraw/zinc/85/47/14/638854714.db2.gz DZAGUQGRCZPTGN-ZWNOBZJWSA-N 0 1 286.335 2.666 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000869703423 639357415 /nfs/dbraw/zinc/35/74/15/639357415.db2.gz FPFCXMMWDKQSDJ-IAQYHMDHSA-N 0 1 291.303 2.924 20 5 CFBDMN Cc1ccc(CON=C(N)C(C)C)cc1[N+](=O)[O-] ZINC000871741890 641432177 /nfs/dbraw/zinc/43/21/77/641432177.db2.gz ZUHHDBSWGYZNLX-UHFFFAOYSA-N 0 1 251.286 2.558 20 5 CFBDMN C[C@@H](NC[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028444 641559227 /nfs/dbraw/zinc/55/92/27/641559227.db2.gz PQCXWWMAGRSEEJ-MNOVXSKESA-N 0 1 282.315 2.954 20 5 CFBDMN CC[C@H](C)[C@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036138 641568657 /nfs/dbraw/zinc/56/86/57/641568657.db2.gz QJIOQXREDKEKHJ-OUJBWJOFSA-N 0 1 284.331 2.792 20 5 CFBDMN C[C@@H](NCC1(CO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063001 641594260 /nfs/dbraw/zinc/59/42/60/641594260.db2.gz SGUDCQSEJHMLON-SNVBAGLBSA-N 0 1 282.315 2.547 20 5 CFBDMN C[C@H](N[C@H]1C[C@H](O)C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063496 641595202 /nfs/dbraw/zinc/59/52/02/641595202.db2.gz QQAOHSJJVVKLMS-UWJYBYFXSA-N 0 1 282.315 2.544 20 5 CFBDMN C/C=C\C[C@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063662 641595353 /nfs/dbraw/zinc/59/53/53/641595353.db2.gz RLCKGALTVUKZPI-ANDSXOESSA-N 0 1 282.315 2.712 20 5 CFBDMN C/C=C/C[C@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063664 641595784 /nfs/dbraw/zinc/59/57/84/641595784.db2.gz RLCKGALTVUKZPI-MJKAUQOVSA-N 0 1 282.315 2.712 20 5 CFBDMN C[C@H](N[C@@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074874 641607094 /nfs/dbraw/zinc/60/70/94/641607094.db2.gz JUGLUHZMEUVLOU-JOYOIKCWSA-N 0 1 282.315 2.952 20 5 CFBDMN C[C@H](NC[C@@H]1CCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872078881 641611120 /nfs/dbraw/zinc/61/11/20/641611120.db2.gz TYFKJWAKYBDMEY-OUJBWJOFSA-N 0 1 282.315 2.546 20 5 CFBDMN C[C@H](N[C@H]1COC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085295 641618704 /nfs/dbraw/zinc/61/87/04/641618704.db2.gz PCWGCYWIHQDDCG-VHSXEESVSA-N 0 1 282.315 2.952 20 5 CFBDMN Cc1c(CNCc2ccccc2CO)cccc1[N+](=O)[O-] ZINC000873021981 641987161 /nfs/dbraw/zinc/98/71/61/641987161.db2.gz QVHRYQGXQCKBPF-UHFFFAOYSA-N 0 1 286.331 2.685 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)c(F)c1 ZINC000873155883 642038071 /nfs/dbraw/zinc/03/80/71/642038071.db2.gz HWULTLWCDVVFCJ-DGFSRKRXSA-N 0 1 294.326 2.781 20 5 CFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CSC1 ZINC000877634006 643417744 /nfs/dbraw/zinc/41/77/44/643417744.db2.gz JPEUUASVNPNBAG-UHFFFAOYSA-N 0 1 292.282 2.819 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879563540 644322806 /nfs/dbraw/zinc/32/28/06/644322806.db2.gz 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MGQDIKREGUGDND-LBPRGKRZSA-N 0 1 288.351 2.970 20 5 CFBDMN CCn1nccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000596092421 349792829 /nfs/dbraw/zinc/79/28/29/349792829.db2.gz AAHRTDQZSRWWKO-AWEZNQCLSA-N 0 1 286.335 2.588 20 5 CFBDMN CC(C)(C)N1CC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000596307381 349857842 /nfs/dbraw/zinc/85/78/42/349857842.db2.gz LNISFADRROTOMZ-VIFPVBQESA-N 0 1 298.774 2.928 20 5 CFBDMN CC(C)(C)N1CC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000596306804 349858232 /nfs/dbraw/zinc/85/82/32/349858232.db2.gz IGYOVUNUEOIHOW-SECBINFHSA-N 0 1 269.370 2.941 20 5 CFBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C)c2nccs2)n1 ZINC001231264417 781924911 /nfs/dbraw/zinc/92/49/11/781924911.db2.gz QQDILVCRKBCGHJ-SSDOTTSWSA-N 0 1 281.293 2.600 20 5 CFBDMN CCCN1CC[C@@H](Nc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000596518893 349928694 /nfs/dbraw/zinc/92/86/94/349928694.db2.gz YWZULSQBSLFSJO-CYBMUJFWSA-N 0 1 291.351 2.694 20 5 CFBDMN O=[N+]([O-])c1cccnc1NC[C@@H]1CCN1Cc1ccccc1 ZINC000596551641 349939351 /nfs/dbraw/zinc/93/93/51/349939351.db2.gz HPGCMYKEEAVUQF-AWEZNQCLSA-N 0 1 298.346 2.676 20 5 CFBDMN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000075892212 347105888 /nfs/dbraw/zinc/10/58/88/347105888.db2.gz GMRTVQWXOCVQGO-PHIMTYICSA-N 0 1 266.366 2.921 20 5 CFBDMN CC(C)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067127002 346792908 /nfs/dbraw/zinc/79/29/08/346792908.db2.gz LECVFJPRIZLWQF-UHFFFAOYSA-N 0 1 283.759 2.779 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN[C@H](CCO)c1ccccc1 ZINC000077468256 347193825 /nfs/dbraw/zinc/19/38/25/347193825.db2.gz KNCPQFZFYLAOOH-OAHLLOKOSA-N 0 1 286.331 2.808 20 5 CFBDMN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000083168337 347448879 /nfs/dbraw/zinc/44/88/79/347448879.db2.gz HFTJDKZFOFCFID-UHFFFAOYSA-N 0 1 261.281 2.720 20 5 CFBDMN Nc1ccc2c(c1)CC[C@@H]2NCc1ccccc1[N+](=O)[O-] ZINC000094088618 347690767 /nfs/dbraw/zinc/69/07/67/347690767.db2.gz REYSZNBAXPNIDQ-HNNXBMFYSA-N 0 1 283.331 2.954 20 5 CFBDMN CC(C)OCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000168961956 348049699 /nfs/dbraw/zinc/04/96/99/348049699.db2.gz TVVXFAGKVJRZBZ-UHFFFAOYSA-N 0 1 272.732 2.763 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1CSC[C@@H]1CCCO1 ZINC000413007697 233001947 /nfs/dbraw/zinc/00/19/47/233001947.db2.gz URNVRXKYNIHLQC-NSHDSACASA-N 0 1 269.322 2.713 20 5 CFBDMN CN(c1ccc([N+](=O)[O-])s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000588073607 348770722 /nfs/dbraw/zinc/77/07/22/348770722.db2.gz MFAUVGRJCSKHOL-ZACCUICWSA-N 0 1 281.381 2.718 20 5 CFBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C)[C@@H]2C)c1 ZINC000589501621 348836105 /nfs/dbraw/zinc/83/61/05/348836105.db2.gz TUKWAWOHPCIQAL-QWRGUYRKSA-N 0 1 292.335 2.612 20 5 CFBDMN CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCC1 ZINC000589501849 348837258 /nfs/dbraw/zinc/83/72/58/348837258.db2.gz GMYHXYRMZOZOCX-UHFFFAOYSA-N 0 1 292.335 2.756 20 5 CFBDMN Cc1cc(CNc2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000589687942 348850490 /nfs/dbraw/zinc/85/04/90/348850490.db2.gz ZECXFYGVZOZKFU-UHFFFAOYSA-N 0 1 264.260 2.686 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CC3(CCC3)[C@H]3COC[C@@H]32)c1 ZINC000590970292 348974310 /nfs/dbraw/zinc/97/43/10/348974310.db2.gz IBIHHTLPXZSPFU-GJZGRUSLSA-N 0 1 288.347 2.596 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](C2CCC2)C1 ZINC000591127167 348990302 /nfs/dbraw/zinc/99/03/02/348990302.db2.gz ODRWMPADFFBZLG-NSHDSACASA-N 0 1 290.319 2.563 20 5 CFBDMN CCc1ccc(-c2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-] ZINC000592356720 349107719 /nfs/dbraw/zinc/10/77/19/349107719.db2.gz GNZWNNTZQFRIKZ-LLVKDONJSA-N 0 1 288.307 2.632 20 5 CFBDMN CN(CCN1CCCCC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000593517993 349288588 /nfs/dbraw/zinc/28/85/88/349288588.db2.gz WMNCJHGMMXSSNS-UHFFFAOYSA-N 0 1 298.774 2.565 20 5 CFBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000593737828 349316924 /nfs/dbraw/zinc/31/69/24/349316924.db2.gz WGKODVUKWUOULM-TXEJJXNPSA-N 0 1 290.319 2.525 20 5 CFBDMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738711 349317311 /nfs/dbraw/zinc/31/73/11/349317311.db2.gz KBBAWMJBDGTUCH-ZWNOBZJWSA-N 0 1 292.335 2.913 20 5 CFBDMN C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739285 349318214 /nfs/dbraw/zinc/31/82/14/349318214.db2.gz XUOAVFICKPMGFO-WDEREUQCSA-N 0 1 292.335 2.913 20 5 CFBDMN CC[C@H](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597974596 350168614 /nfs/dbraw/zinc/16/86/14/350168614.db2.gz AIHMDWKVDYHVBU-VIFPVBQESA-N 0 1 290.323 2.637 20 5 CFBDMN Cc1ccc([C@H](C)NCc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000599083966 350373339 /nfs/dbraw/zinc/37/33/39/350373339.db2.gz NVJQRMFPLKLZKX-NSHDSACASA-N 0 1 287.319 2.855 20 5 CFBDMN O=[N+]([O-])c1cnc(NC[C@H]2CCN2C2CCCC2)c(F)c1 ZINC000599165234 350387454 /nfs/dbraw/zinc/38/74/54/350387454.db2.gz OIKSOPVZNTWVNN-LLVKDONJSA-N 0 1 294.330 2.558 20 5 CFBDMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000599627796 350467119 /nfs/dbraw/zinc/46/71/19/350467119.db2.gz ZHWGYKSPFPTMQI-LFNDISMMSA-N 0 1 282.315 2.635 20 5 CFBDMN CCC(O)(CC)CN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599673122 350478647 /nfs/dbraw/zinc/47/86/47/350478647.db2.gz KOJZLZQBDAXUDT-UHFFFAOYSA-N 0 1 284.331 2.717 20 5 CFBDMN Cc1ncc(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000600157622 350523583 /nfs/dbraw/zinc/52/35/83/350523583.db2.gz YOFXLRMXWXMPGE-UHFFFAOYSA-N 0 1 275.308 2.566 20 5 CFBDMN Cc1ncc([C@H](C)NCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000601149202 350682151 /nfs/dbraw/zinc/68/21/51/350682151.db2.gz GSPFBBZRVKWZDQ-QMMMGPOBSA-N 0 1 293.348 2.916 20 5 CFBDMN Cc1ncc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000601149202 350682154 /nfs/dbraw/zinc/68/21/54/350682154.db2.gz GSPFBBZRVKWZDQ-QMMMGPOBSA-N 0 1 293.348 2.916 20 5 CFBDMN C[C@H](N[C@@H](C)[C@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601301129 350720210 /nfs/dbraw/zinc/72/02/10/350720210.db2.gz RRRSRCRWRYWIAL-LAEOZQHASA-N 0 1 292.257 2.557 20 5 CFBDMN CCc1c(=O)n(-c2cccc([N+](=O)[O-])c2)[nH]c1C(C)C ZINC000601931118 350805176 /nfs/dbraw/zinc/80/51/76/350805176.db2.gz FXLJKKRZGSDIKQ-GFCCVEGCSA-N 0 1 275.308 2.980 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c2c(c1=O)CC[C@H]2C ZINC000601934942 350808052 /nfs/dbraw/zinc/80/80/52/350808052.db2.gz FYCXOOWXYNUAAI-KOLCDFICSA-N 0 1 273.292 2.652 20 5 CFBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)[C@H](C)CC2 ZINC000601938023 350809482 /nfs/dbraw/zinc/80/94/82/350809482.db2.gz FPMGSCYYIBXJGK-OQPBUACISA-N 0 1 273.292 2.652 20 5 CFBDMN CCc1[nH]n(-c2ccc([N+](=O)[O-])cc2C)c(=O)c1C ZINC000601942669 350812197 /nfs/dbraw/zinc/81/21/97/350812197.db2.gz NIMGYGSNPPTUPF-VIFPVBQESA-N 0 1 261.281 2.652 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC1CCC1 ZINC000111298178 186391542 /nfs/dbraw/zinc/39/15/42/186391542.db2.gz PAOFXWRYWPCGML-UHFFFAOYSA-N 0 1 291.351 2.574 20 5 CFBDMN Cn1cc(CN2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602436040 350881672 /nfs/dbraw/zinc/88/16/72/350881672.db2.gz UITUXHXQLPTIST-CQSZACIVSA-N 0 1 286.335 2.665 20 5 CFBDMN C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000602444265 350886059 /nfs/dbraw/zinc/88/60/59/350886059.db2.gz DOVPOPMQYLMRPN-BNOWGMLFSA-N 0 1 292.383 2.729 20 5 CFBDMN C[C@@H]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000602444265 350886060 /nfs/dbraw/zinc/88/60/60/350886060.db2.gz DOVPOPMQYLMRPN-BNOWGMLFSA-N 0 1 292.383 2.729 20 5 CFBDMN C[C@@H](F)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602673985 350971438 /nfs/dbraw/zinc/97/14/38/350971438.db2.gz AYSSVSISBWOMSS-MRVPVSSYSA-N 0 1 267.260 2.574 20 5 CFBDMN O=[N+]([O-])c1ccc2oc(CNCC3=CCCC3)nc2c1 ZINC000602718274 350997657 /nfs/dbraw/zinc/99/76/57/350997657.db2.gz MCMITWQPLGIAMW-UHFFFAOYSA-N 0 1 273.292 2.936 20 5 CFBDMN CCn1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000112096918 186469772 /nfs/dbraw/zinc/46/97/72/186469772.db2.gz WLAWTLZOQHPGHR-LLVKDONJSA-N 0 1 274.324 2.662 20 5 CFBDMN CO[C@@H](C)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602624476 350950688 /nfs/dbraw/zinc/95/06/88/350950688.db2.gz BPPFNKBBGTTWPC-QMMMGPOBSA-N 0 1 292.257 2.738 20 5 CFBDMN Cc1ccccc1C(C)(C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602833492 351039919 /nfs/dbraw/zinc/03/99/19/351039919.db2.gz VTZMSFYVCPMRSQ-UHFFFAOYSA-N 0 1 288.351 2.662 20 5 CFBDMN Cc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000610518223 351576537 /nfs/dbraw/zinc/57/65/37/351576537.db2.gz GSATXEVUGYTEOC-LLVKDONJSA-N 0 1 274.324 2.786 20 5 CFBDMN Cc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000610518223 351576541 /nfs/dbraw/zinc/57/65/41/351576541.db2.gz GSATXEVUGYTEOC-LLVKDONJSA-N 0 1 274.324 2.786 20 5 CFBDMN COc1ccc(CN2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000611177210 351647557 /nfs/dbraw/zinc/64/75/57/351647557.db2.gz ARNRTTNLBWAWAM-UHFFFAOYSA-N 0 1 276.336 2.979 20 5 CFBDMN CC(C)N(Cc1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611254842 351658821 /nfs/dbraw/zinc/65/88/21/351658821.db2.gz JAVWUCDRENJJCB-UHFFFAOYSA-N 0 1 274.324 2.729 20 5 CFBDMN CCO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000611516453 351702634 /nfs/dbraw/zinc/70/26/34/351702634.db2.gz HQHBMUFCBDQCBW-ZDUSSCGKSA-N 0 1 294.351 2.604 20 5 CFBDMN CC[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611285935 351664177 /nfs/dbraw/zinc/66/41/77/351664177.db2.gz QYRQRAAAIJLFRN-NSHDSACASA-N 0 1 292.335 2.598 20 5 CFBDMN CC[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611285935 351664181 /nfs/dbraw/zinc/66/41/81/351664181.db2.gz QYRQRAAAIJLFRN-NSHDSACASA-N 0 1 292.335 2.598 20 5 CFBDMN CC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611285934 351664202 /nfs/dbraw/zinc/66/42/02/351664202.db2.gz QYRQRAAAIJLFRN-LLVKDONJSA-N 0 1 292.335 2.598 20 5 CFBDMN CC[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611285934 351664203 /nfs/dbraw/zinc/66/42/03/351664203.db2.gz QYRQRAAAIJLFRN-LLVKDONJSA-N 0 1 292.335 2.598 20 5 CFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000121943092 187006248 /nfs/dbraw/zinc/00/62/48/187006248.db2.gz GOVTXMBNRVAWQO-TUAOUCFPSA-N 0 1 291.351 2.795 20 5 CFBDMN O=[N+]([O-])c1cc(CSc2nc(C3CC3)n[nH]2)cs1 ZINC000123394342 187089749 /nfs/dbraw/zinc/08/97/49/187089749.db2.gz FXQFZAIVOZOGLB-UHFFFAOYSA-N 0 1 282.350 2.944 20 5 CFBDMN O=[N+]([O-])c1cc(CSc2n[nH]c(C3CC3)n2)cs1 ZINC000123394342 187089750 /nfs/dbraw/zinc/08/97/50/187089750.db2.gz FXQFZAIVOZOGLB-UHFFFAOYSA-N 0 1 282.350 2.944 20 5 CFBDMN C[C@H](O)C[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123741773 187107194 /nfs/dbraw/zinc/10/71/94/187107194.db2.gz BLCAFDOTUKYIEI-FZMZJTMJSA-N 0 1 296.342 2.859 20 5 CFBDMN Cc1n[nH]cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000271473067 191158077 /nfs/dbraw/zinc/15/80/77/191158077.db2.gz JHQUQCRKUALLSS-LLVKDONJSA-N 0 1 274.324 2.786 20 5 CFBDMN CC[C@H]1CC[C@@H](C)N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000271561403 191212588 /nfs/dbraw/zinc/21/25/88/191212588.db2.gz PTBAXYRFTJRYKP-NEPJUHHUSA-N 0 1 291.351 2.796 20 5 CFBDMN O=[N+]([O-])c1cccc(CN(CC2=CCCOC2)C2CC2)c1 ZINC000154294038 188134114 /nfs/dbraw/zinc/13/41/14/188134114.db2.gz YQFAQGTVSCUOPZ-UHFFFAOYSA-N 0 1 288.347 2.906 20 5 CFBDMN CC(C)(O)[C@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119505151 540467791 /nfs/dbraw/zinc/46/77/91/540467791.db2.gz IOKIJGMNMUEJKE-CYBMUJFWSA-N 0 1 298.770 2.984 20 5 CFBDMN C[C@@H]1C[C@H](NCCc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000297671379 200258027 /nfs/dbraw/zinc/25/80/27/200258027.db2.gz LABNBVKDPWSZLX-YPMHNXCESA-N 0 1 286.335 2.629 20 5 CFBDMN CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177431680 189050547 /nfs/dbraw/zinc/05/05/47/189050547.db2.gz QVYJBMQXFNSBFM-NEPJUHHUSA-N 0 1 293.367 2.501 20 5 CFBDMN CCCCN(CCCO)Cc1cc([N+](=O)[O-])ccc1OC ZINC000182126428 189314855 /nfs/dbraw/zinc/31/48/55/189314855.db2.gz LQBQBRBRPATBGU-UHFFFAOYSA-N 0 1 296.367 2.588 20 5 CFBDMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330927 241052845 /nfs/dbraw/zinc/05/28/45/241052845.db2.gz USPMPWQFYMKBPR-ZETOZRRWSA-N 0 1 296.342 2.715 20 5 CFBDMN CC(C)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444639951 241159036 /nfs/dbraw/zinc/15/90/36/241159036.db2.gz OEGVJYRTZBONRW-NSHDSACASA-N 0 1 288.351 2.949 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](SC)C1 ZINC000451320863 242804412 /nfs/dbraw/zinc/80/44/12/242804412.db2.gz BHUCPFGMEINLQR-LBPRGKRZSA-N 0 1 282.365 2.541 20 5 CFBDMN CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457279067 244465867 /nfs/dbraw/zinc/46/58/67/244465867.db2.gz LKKUOLLXULGFBE-DZGCQCFKSA-N 0 1 292.335 2.855 20 5 CFBDMN COCC1(C)CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459621901 245245282 /nfs/dbraw/zinc/24/52/82/245245282.db2.gz MKVYSOQPNIRUFD-NTUHNPAUSA-N 0 1 290.363 2.966 20 5 CFBDMN CN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000049100005 373271883 /nfs/dbraw/zinc/27/18/83/373271883.db2.gz MJWMWXDEHFVIED-JTQLQIEISA-N 0 1 269.732 2.754 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCCO2)c(Cl)c1 ZINC000049963736 373338175 /nfs/dbraw/zinc/33/81/75/373338175.db2.gz CSXJMBWCBTVVGC-LBPRGKRZSA-N 0 1 284.743 2.907 20 5 CFBDMN CC[C@H](C)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072601238 374268879 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/nfs/dbraw/zinc/58/94/76/383589476.db2.gz CSBAFPSSQFTONJ-LLVKDONJSA-N 0 1 282.365 2.541 20 5 CFBDMN CC[C@H]1CN(C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000570988683 383653944 /nfs/dbraw/zinc/65/39/44/383653944.db2.gz ZWTUVZXVZWNQPZ-NSHDSACASA-N 0 1 283.759 2.779 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263346008 383659086 /nfs/dbraw/zinc/65/90/86/383659086.db2.gz OQGQOMSETLTTJR-YPMHNXCESA-N 0 1 292.335 2.588 20 5 CFBDMN C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@@H]2CCCC[C@H]12 ZINC000531342500 383853689 /nfs/dbraw/zinc/85/36/89/383853689.db2.gz IAEIXYUACFETIQ-JHJVBQTASA-N 0 1 292.383 2.729 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CCN(CCCCF)C2 ZINC000574350944 384083022 /nfs/dbraw/zinc/08/30/22/384083022.db2.gz XUWCLPZUMDFKFO-UHFFFAOYSA-N 0 1 252.289 2.703 20 5 CFBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000277538496 384331352 /nfs/dbraw/zinc/33/13/52/384331352.db2.gz ZAKIBXLAWVHPSP-DTWKUNHWSA-N 0 1 290.327 2.795 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CNC1CC(F)(F)C1 ZINC000277772178 384400507 /nfs/dbraw/zinc/40/05/07/384400507.db2.gz YGYPNBRQQQBNNP-UHFFFAOYSA-N 0 1 286.278 2.881 20 5 CFBDMN C[C@@H]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000269128885 384728236 /nfs/dbraw/zinc/72/82/36/384728236.db2.gz KMMPODHECPUFGN-MWLCHTKSSA-N 0 1 278.308 2.609 20 5 CFBDMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269312123 384747152 /nfs/dbraw/zinc/74/71/52/384747152.db2.gz ZEYMDGAUZOODSU-NXEZZACHSA-N 0 1 278.308 2.704 20 5 CFBDMN C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000270187933 385008033 /nfs/dbraw/zinc/00/80/33/385008033.db2.gz WBDHTSOZIKHVEV-HZMBPMFUSA-N 0 1 298.770 2.841 20 5 CFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000270187933 385008040 /nfs/dbraw/zinc/00/80/40/385008040.db2.gz WBDHTSOZIKHVEV-HZMBPMFUSA-N 0 1 298.770 2.841 20 5 CFBDMN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccsc1 ZINC000282346423 385289498 /nfs/dbraw/zinc/28/94/98/385289498.db2.gz 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/nfs/dbraw/zinc/59/43/72/385594372.db2.gz YMSNXBKJNAPKIP-TVQRCGJNSA-N 0 1 278.308 2.609 20 5 CFBDMN C[C@H]1CC[C@@](CO)(N(C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000275154612 385947755 /nfs/dbraw/zinc/94/77/55/385947755.db2.gz QCLPBJJVVCMCPP-XHDPSFHLSA-N 0 1 296.342 2.717 20 5 CFBDMN CC(C)c1ccc(CN2C[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000471805144 393917711 /nfs/dbraw/zinc/91/77/11/393917711.db2.gz PQSNGQQNHDWWFV-WCQYABFASA-N 0 1 278.352 2.673 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000346339503 393927301 /nfs/dbraw/zinc/92/73/01/393927301.db2.gz AZNXNCNKMSVJNP-UHFFFAOYSA-N 0 1 294.355 2.704 20 5 CFBDMN CCCN(Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430226126 393970627 /nfs/dbraw/zinc/97/06/27/393970627.db2.gz MACFFQCGOCITTI-UHFFFAOYSA-N 0 1 264.325 2.978 20 5 CFBDMN CCC(C)(C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269476055 394004546 /nfs/dbraw/zinc/00/45/46/394004546.db2.gz JLYXFIHVVXYPNV-UHFFFAOYSA-N 0 1 282.344 2.702 20 5 CFBDMN CC1(C)CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284304237 394136206 /nfs/dbraw/zinc/13/62/06/394136206.db2.gz ZIKILKAPJUFDCX-UHFFFAOYSA-N 0 1 279.296 2.877 20 5 CFBDMN Cc1cc(N2CCN(C)[C@@H](C)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000360049831 394144548 /nfs/dbraw/zinc/14/45/48/394144548.db2.gz HFNIZXFLBUITFT-QWRGUYRKSA-N 0 1 281.331 2.571 20 5 CFBDMN CC[C@@H](C)N1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000450861065 394342267 /nfs/dbraw/zinc/34/22/67/394342267.db2.gz PHUVJJOAYDUDKZ-GFCCVEGCSA-N 0 1 293.367 2.524 20 5 CFBDMN CO[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000170819815 394371768 /nfs/dbraw/zinc/37/17/68/394371768.db2.gz OOFFSOVFFSDWSI-FZMZJTMJSA-N 0 1 264.325 2.767 20 5 CFBDMN COc1cc(CN2C[C@@H](C)S[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000539809104 394634759 /nfs/dbraw/zinc/63/47/59/394634759.db2.gz KEYRWVBOHYKLHK-GHMZBOCLSA-N 0 1 296.392 2.929 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CCN(CC[C@@H]1CCCCO1)C2 ZINC000543444321 394730580 /nfs/dbraw/zinc/73/05/80/394730580.db2.gz VSUAZXVDBZKDRU-AWEZNQCLSA-N 0 1 290.363 2.912 20 5 CFBDMN CCOc1cc(CN2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000547769050 394888200 /nfs/dbraw/zinc/88/82/00/394888200.db2.gz ISDXMGLNAYFPGK-PHIMTYICSA-N 0 1 264.325 2.976 20 5 CFBDMN CC[C@H]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356593040 155311930 /nfs/dbraw/zinc/31/19/30/155311930.db2.gz KJCUNHGTUKZPLT-JQWIXIFHSA-N 0 1 292.335 2.999 20 5 CFBDMN O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000356981548 155453998 /nfs/dbraw/zinc/45/39/98/155453998.db2.gz PRZYUFNCKFKJOD-UHFFFAOYSA-N 0 1 296.246 2.516 20 5 CFBDMN Cc1ccc(S(=O)(=O)Nc2ccsc2)cc1[N+](=O)[O-] ZINC000360230127 156059896 /nfs/dbraw/zinc/05/98/96/156059896.db2.gz IXNNMIOANLPKJC-UHFFFAOYSA-N 0 1 298.345 2.766 20 5 CFBDMN CN1Cc2ccccc2[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000367165702 156291106 /nfs/dbraw/zinc/29/11/06/156291106.db2.gz PGKLYIUQQVTSNA-OAHLLOKOSA-N 0 1 298.346 2.776 20 5 CFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000373934542 157048721 /nfs/dbraw/zinc/04/87/21/157048721.db2.gz ASKJNNGHTWTWIU-JHJVBQTASA-N 0 1 294.738 2.669 20 5 CFBDMN CO[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000374675977 157147105 /nfs/dbraw/zinc/14/71/05/157147105.db2.gz GHHNHXPLJULFMY-ZDUSSCGKSA-N 0 1 282.315 2.735 20 5 CFBDMN CC(C)(NCc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000344305844 162003684 /nfs/dbraw/zinc/00/36/84/162003684.db2.gz OWQJSOMDKUCYOC-UHFFFAOYSA-N 0 1 293.348 2.782 20 5 CFBDMN C[C@H](F)CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351879729 163210909 /nfs/dbraw/zinc/21/09/09/163210909.db2.gz UTEYIWZSSPJUCO-JTQLQIEISA-N 0 1 252.289 2.701 20 5 CFBDMN C[C@H]1CSC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000352795777 163237341 /nfs/dbraw/zinc/23/73/41/163237341.db2.gz FJFOBWWJNIZISB-KWQFWETISA-N 0 1 270.329 2.575 20 5 CFBDMN CCc1nocc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000353360770 163351097 /nfs/dbraw/zinc/35/10/97/163351097.db2.gz LSLAZBGEQKKRER-UHFFFAOYSA-N 0 1 289.335 2.820 20 5 CFBDMN CC[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330436467 287057359 /nfs/dbraw/zinc/05/73/59/287057359.db2.gz RAXOSIGCTLBXIY-LLVKDONJSA-N 0 1 250.298 2.675 20 5 CFBDMN C[C@@H](c1cnccn1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285177024 196214686 /nfs/dbraw/zinc/21/46/86/196214686.db2.gz BMPUFFMMBJXJGZ-LBPRGKRZSA-N 0 1 286.335 2.620 20 5 CFBDMN Cc1c(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000229298125 270258709 /nfs/dbraw/zinc/25/87/09/270258709.db2.gz GNNJGRRKVOMYTK-YGRLFVJLSA-N 0 1 292.335 2.588 20 5 CFBDMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000163922493 274255602 /nfs/dbraw/zinc/25/56/02/274255602.db2.gz VHMQSIAKGIEFPQ-MNOVXSKESA-N 0 1 274.324 2.740 20 5 CFBDMN Cc1cc(N2CCN(C3CCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000360048933 274706664 /nfs/dbraw/zinc/70/66/64/274706664.db2.gz ZZWQWLOMYQKYQR-UHFFFAOYSA-N 0 1 293.342 2.717 20 5 CFBDMN CCC[C@H](C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269357805 276039841 /nfs/dbraw/zinc/03/98/41/276039841.db2.gz IIPSRDLJIWKISU-VIFPVBQESA-N 0 1 282.344 2.702 20 5 CFBDMN CC(C)c1ccc(CN2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353605787 276053037 /nfs/dbraw/zinc/05/30/37/276053037.db2.gz LXSSAHTYPFOILF-ZDUSSCGKSA-N 0 1 291.395 2.854 20 5 CFBDMN CC1(C)C[C@@H](NCCF)c2cc([N+](=O)[O-])ccc21 ZINC000281098524 276143083 /nfs/dbraw/zinc/14/30/83/276143083.db2.gz QMQAOXMHYQUBFV-GFCCVEGCSA-N 0 1 252.289 2.876 20 5 CFBDMN CC(C)[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274712941 277932479 /nfs/dbraw/zinc/93/24/79/277932479.db2.gz LWYYHVCYHQYQPY-CQSZACIVSA-N 0 1 292.335 2.951 20 5 CFBDMN CC[C@H]1CN(CC)CCN1c1ccccc1[N+](=O)[O-] ZINC000450827477 288285770 /nfs/dbraw/zinc/28/57/70/288285770.db2.gz HYUFLEQJXZWFIS-LBPRGKRZSA-N 0 1 263.341 2.515 20 5 CFBDMN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000565218300 290283925 /nfs/dbraw/zinc/28/39/25/290283925.db2.gz PKADFJULMXKFRE-QMTHXVAHSA-N 0 1 286.335 2.666 20 5 CFBDMN C[C@H]1CCSCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000332246304 300027993 /nfs/dbraw/zinc/02/79/93/300027993.db2.gz BKCALZNKDUOJKO-JTQLQIEISA-N 0 1 282.365 2.628 20 5 CFBDMN Cc1ncncc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000572735043 322630490 /nfs/dbraw/zinc/63/04/90/322630490.db2.gz OIYIGYZDMOMILA-NSHDSACASA-N 0 1 286.335 2.852 20 5 CFBDMN Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000057591059 524583887 /nfs/dbraw/zinc/58/38/87/524583887.db2.gz CEZJCGGSZLXXMF-UHFFFAOYSA-N 0 1 257.293 2.588 20 5 CFBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000310874460 524622002 /nfs/dbraw/zinc/62/20/02/524622002.db2.gz UDMJJIOJPQXRDO-UWVGGRQHSA-N 0 1 252.289 2.822 20 5 CFBDMN C[C@@H](NCc1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000054788180 525553376 /nfs/dbraw/zinc/55/33/76/525553376.db2.gz QAEPNCBKBJAJJG-SECBINFHSA-N 0 1 263.322 2.902 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H](N)CC(C)C)no1 ZINC000339384294 525558015 /nfs/dbraw/zinc/55/80/15/525558015.db2.gz DGRLRGRKBHSKAR-GFCCVEGCSA-N 0 1 290.323 2.999 20 5 CFBDMN Cc1c(CNCc2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000232782313 525725989 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C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C(=O)[O-] ZINC000737452047 574142271 /nfs/dbraw/zinc/14/22/71/574142271.db2.gz WPDKVPQNWUJFEF-UHFFFAOYSA-N 0 1 286.715 2.543 20 5 CFBDMN CC(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccn1 ZINC000733689090 574250821 /nfs/dbraw/zinc/25/08/21/574250821.db2.gz VDJBFKTXEKBNAA-CYBMUJFWSA-N 0 1 289.291 2.872 20 5 CFBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444711 600215202 /nfs/dbraw/zinc/21/52/02/600215202.db2.gz PFTHXIOSKYJDEO-UHFFFAOYSA-N 0 1 286.715 2.543 20 5 CFBDMN O=C(Nc1ncccc1O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176309596 617989005 /nfs/dbraw/zinc/98/90/05/617989005.db2.gz GPMJYDAPKBAYKP-UHFFFAOYSA-N 0 1 293.666 2.601 20 5 CFBDMN COc1c(O)ccc(C[N@H+]2CCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000891618936 617688007 /nfs/dbraw/zinc/68/80/07/617688007.db2.gz VWNYMOTXUPHUER-GFCCVEGCSA-N 0 1 294.351 2.929 20 5 CFBDMN COc1c(O)ccc(CN2CCC[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000891863080 617791144 /nfs/dbraw/zinc/79/11/44/617791144.db2.gz 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Cc1nonc1[C@H](C)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245224 621296127 /nfs/dbraw/zinc/29/61/27/621296127.db2.gz KQMUHSQLYMLHMP-UWVGGRQHSA-N 0 1 290.323 2.741 20 5 CFBDMN C[C@@H](NC/C=C\Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903445456 621384154 /nfs/dbraw/zinc/38/41/54/621384154.db2.gz TVVPKFVXXDLGDU-ZTHSNPKKSA-N 0 1 255.705 2.580 20 5 CFBDMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000903596876 621404352 /nfs/dbraw/zinc/40/43/52/621404352.db2.gz UXEOMBPZNCBKFW-RISCZKNCSA-N 0 1 294.351 2.568 20 5 CFBDMN Cc1cc(NC(=O)[C@H]2CCCN2C(C)C)ccc1[N+](=O)[O-] ZINC000904186963 621538713 /nfs/dbraw/zinc/53/87/13/621538713.db2.gz DQRJGLPSPQOBSA-CQSZACIVSA-N 0 1 291.351 2.715 20 5 CFBDMN CC(C)(C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000905032273 621683684 /nfs/dbraw/zinc/68/36/84/621683684.db2.gz DWVNBQVRMHIZTF-UHFFFAOYSA-N 0 1 291.351 2.798 20 5 CFBDMN O=[N+]([O-])CCN[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000905077536 621689744 /nfs/dbraw/zinc/68/97/44/621689744.db2.gz 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293.392 2.850 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1CN(CC(F)F)C1CCC1 ZINC000887102559 647213534 /nfs/dbraw/zinc/21/35/34/647213534.db2.gz UOJDNVYTLPXOOX-UHFFFAOYSA-N 0 1 286.278 2.920 20 5 CFBDMN C[C@H](NCC[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000930579131 649279034 /nfs/dbraw/zinc/27/90/34/649279034.db2.gz RXTWGMFFQOZTMV-ZETCQYMHSA-N 0 1 291.120 2.516 20 5 CFBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])C1(C(F)(F)F)CC1 ZINC000932295806 649575630 /nfs/dbraw/zinc/57/56/30/649575630.db2.gz JXCMXWVDXHUWRR-UHFFFAOYSA-N 0 1 290.241 2.827 20 5 CFBDMN O=[N+]([O-])c1ccc(CCN[C@H](c2ncccn2)C2CC2)cc1 ZINC000932361865 649585273 /nfs/dbraw/zinc/58/52/73/649585273.db2.gz YRFRMRPSUXCGBS-HNNXBMFYSA-N 0 1 298.346 2.668 20 5 CFBDMN CC(C)N1CC[C@H](Oc2c(Cl)nccc2[N+](=O)[O-])C1 ZINC001225430450 775454216 /nfs/dbraw/zinc/45/42/16/775454216.db2.gz BUNBYJRIZYAYHS-VIFPVBQESA-N 0 1 285.731 2.505 20 5 CFBDMN CO[C@H]1CCCC[C@@H]1Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225494750 775479815 /nfs/dbraw/zinc/47/98/15/775479815.db2.gz 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CN(Cn1nccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841693210 631453442 /nfs/dbraw/zinc/45/34/42/631453442.db2.gz TYMOIQLRLCGJEV-VXGBXAGGSA-N 0 1 280.372 2.895 20 5 CFBDMN O=[N+]([O-])c1c(Cl)cccc1-c1nc([C@@H]2CCCN2)no1 ZINC000842646789 631691348 /nfs/dbraw/zinc/69/13/48/631691348.db2.gz JIEVCOCPTXPAOD-VIFPVBQESA-N 0 1 294.698 2.723 20 5 CFBDMN O=C(OC1(c2c(F)cccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000842937866 631787247 /nfs/dbraw/zinc/78/72/47/631787247.db2.gz JJBNCQPLHPFCET-GMSGAONNSA-N 0 1 299.685 2.677 20 5 CFBDMN C[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(F)(F)F ZINC000842946182 631790521 /nfs/dbraw/zinc/79/05/21/631790521.db2.gz JJBVBQSURMSTKC-LURJTMIESA-N 0 1 280.202 2.668 20 5 CFBDMN Cc1ncsc1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576752 632291250 /nfs/dbraw/zinc/29/12/50/632291250.db2.gz XTFATZQCXLBUQO-MRVPVSSYSA-N 0 1 292.364 2.793 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CCC1 ZINC000845221854 632387849 /nfs/dbraw/zinc/38/78/49/632387849.db2.gz SPSVCQNCRNOUIY-QWHCGFSZSA-N 0 1 291.303 2.780 20 5 CFBDMN Cc1nn(CN2CC[C@H](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000817370254 632615555 /nfs/dbraw/zinc/61/55/55/632615555.db2.gz ITYWHEWKAZXPFO-ZDUSSCGKSA-N 0 1 278.356 2.569 20 5 CFBDMN CC1(C)CC[C@H](CO)N(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000856805252 635865745 /nfs/dbraw/zinc/86/57/45/635865745.db2.gz LTLVHLGUCWOOQL-GFCCVEGCSA-N 0 1 296.342 2.717 20 5 CFBDMN O=C(Oc1cccc(C2CCCC2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000847119526 632928479 /nfs/dbraw/zinc/92/84/79/632928479.db2.gz ANGZUVIAVVYDID-ZIAGYGMSSA-N 0 1 275.304 2.915 20 5 CFBDMN C[C@H]1CCCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848480676 633265172 /nfs/dbraw/zinc/26/51/72/633265172.db2.gz QGHCJAFVLSBROA-LBPRGKRZSA-N 0 1 286.335 2.900 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000849860043 633745215 /nfs/dbraw/zinc/74/52/15/633745215.db2.gz ZGGJULDXNNIKIX-WQAKAFBOSA-N 0 1 291.303 2.780 20 5 CFBDMN Cc1ccc(N2CCCc3[nH]ncc3C2)c([N+](=O)[O-])c1 ZINC000852968246 634868528 /nfs/dbraw/zinc/86/85/28/634868528.db2.gz OXXLIBAINFSJJZ-UHFFFAOYSA-N 0 1 272.308 2.579 20 5 CFBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@H]4C[C@H]4C3)c2)c1 ZINC000853575275 635039331 /nfs/dbraw/zinc/03/93/31/635039331.db2.gz CXWMGCWDLRGXQH-KBPBESRZSA-N 0 1 298.346 2.758 20 5 CFBDMN CC[C@H](NC)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000854159630 635235677 /nfs/dbraw/zinc/23/56/77/635235677.db2.gz BBCSBFYUEJIOJI-NSHDSACASA-N 0 1 276.296 2.624 20 5 CFBDMN O=C(NCCCCCCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000862625665 637453612 /nfs/dbraw/zinc/45/36/12/637453612.db2.gz XLBNDQWCLHPOMS-HUUCEWRRSA-N 0 1 290.363 2.571 20 5 CFBDMN CC(C)(O)[C@@H]1CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000119000835 637457453 /nfs/dbraw/zinc/45/74/53/637457453.db2.gz SSXZMWRGMJRJNQ-ZDUSSCGKSA-N 0 1 298.770 2.984 20 5 CFBDMN Cc1ccc(CNCc2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000865787140 638574072 /nfs/dbraw/zinc/57/40/72/638574072.db2.gz IVHLFQQKXZWVBT-UHFFFAOYSA-N 0 1 288.351 2.970 20 5 CFBDMN C[C@H](N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866498994 638831169 /nfs/dbraw/zinc/83/11/69/638831169.db2.gz CBULCFDGRCICMZ-SKWCMTHISA-N 0 1 289.257 2.778 20 5 CFBDMN Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121240016 638875175 /nfs/dbraw/zinc/87/51/75/638875175.db2.gz WMXSBEHUJOWNMT-JQWIXIFHSA-N 0 1 288.351 2.941 20 5 CFBDMN C[C@H](NC[C@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016080 641547034 /nfs/dbraw/zinc/54/70/34/641547034.db2.gz DJQMYEMRVCZTFL-VHSXEESVSA-N 0 1 268.288 2.564 20 5 CFBDMN C[C@@H](NC[C@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016078 641547256 /nfs/dbraw/zinc/54/72/56/641547256.db2.gz DJQMYEMRVCZTFL-NXEZZACHSA-N 0 1 268.288 2.564 20 5 CFBDMN CSCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019225 641549727 /nfs/dbraw/zinc/54/97/27/641549727.db2.gz UQWOZGDMJPKLMM-QMMMGPOBSA-N 0 1 258.318 2.748 20 5 CFBDMN C[C@@H](N[C@@H](C)Cn1ccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019885 641550697 /nfs/dbraw/zinc/55/06/97/641550697.db2.gz BAAGTLHHTWAGDI-WDEREUQCSA-N 0 1 292.314 2.670 20 5 CFBDMN C[C@H](Cn1ccnc1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019883 641551307 /nfs/dbraw/zinc/55/13/07/641551307.db2.gz BAAGTLHHTWAGDI-MNOVXSKESA-N 0 1 292.314 2.670 20 5 CFBDMN CC[C@H](O)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043546 641577556 /nfs/dbraw/zinc/57/75/56/641577556.db2.gz JFHQUHIBPSORQR-ZJUUUORDSA-N 0 1 270.304 2.546 20 5 CFBDMN C[C@H](N[C@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051349 641584535 /nfs/dbraw/zinc/58/45/35/641584535.db2.gz JJZBGQJIGBEBLQ-ONGXEEELSA-N 0 1 282.315 2.546 20 5 CFBDMN CC[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872073208 641604744 /nfs/dbraw/zinc/60/47/44/641604744.db2.gz OROOCLYXBRCPOD-VHSXEESVSA-N 0 1 270.304 2.810 20 5 CFBDMN CC[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872073207 641604865 /nfs/dbraw/zinc/60/48/65/641604865.db2.gz OROOCLYXBRCPOD-UWVGGRQHSA-N 0 1 270.304 2.810 20 5 CFBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC/C=C\CO ZINC000872086847 641620614 /nfs/dbraw/zinc/62/06/14/641620614.db2.gz YJGKCHPIYYWQKF-UMBAGQNISA-N 0 1 282.365 2.516 20 5 CFBDMN CO[C@H]1C[C@H](N[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089759 641623756 /nfs/dbraw/zinc/62/37/56/641623756.db2.gz DLVMDNFPMPQQPV-OPRDCNLKSA-N 0 1 268.288 2.562 20 5 CFBDMN C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091484 641624339 /nfs/dbraw/zinc/62/43/39/641624339.db2.gz IIPXNRGFKJVMFH-SVDPJWKOSA-N 0 1 282.315 2.950 20 5 CFBDMN Cc1c(CN[C@@H]2c3ccccc3C[C@@H]2O)cccc1[N+](=O)[O-] ZINC000873022317 641987422 /nfs/dbraw/zinc/98/74/22/641987422.db2.gz UWCRUKCJSKELDG-DLBZAZTESA-N 0 1 298.342 2.651 20 5 CFBDMN O=[N+]([O-])c1cc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)cs1 ZINC000873154846 642035928 /nfs/dbraw/zinc/03/59/28/642035928.db2.gz BKYSPUVUJXODOS-SRVKXCTJSA-N 0 1 282.365 2.704 20 5 CFBDMN CC(F)(F)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000876400045 642852724 /nfs/dbraw/zinc/85/27/24/642852724.db2.gz NYUOODUOSVHHLZ-GMSGAONNSA-N 0 1 288.225 2.541 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3CSC[C@H]3C2)c(F)c1 ZINC000877739178 643504167 /nfs/dbraw/zinc/50/41/67/643504167.db2.gz RRKOYLYSMYNSAF-VXGBXAGGSA-N 0 1 296.367 2.919 20 5 CFBDMN C[C@@H]1CCN[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000127935093 644378478 /nfs/dbraw/zinc/37/84/78/644378478.db2.gz VDTGQQIVCPTYCH-SKDRFNHKSA-N 0 1 288.307 2.705 20 5 CFBDMN CC(C)(O)[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879960750 644476644 /nfs/dbraw/zinc/47/66/44/644476644.db2.gz MHZYBLNNFWONTA-GFCCVEGCSA-N 0 1 296.342 2.717 20 5 CFBDMN COCC1([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000880186573 644569428 /nfs/dbraw/zinc/56/94/28/644569428.db2.gz GRYAEUIJCZMXCO-UHFFFAOYSA-N 0 1 294.351 2.604 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H]2CCC[C@H]21 ZINC000886021480 646824479 /nfs/dbraw/zinc/82/44/79/646824479.db2.gz XHWIYVDRCNDXQC-DGCLKSJQSA-N 0 1 261.325 2.754 20 5 CFBDMN Cc1n[nH]c(CNCc2cccc([N+](=O)[O-])c2C)c1C ZINC000886086069 646859416 /nfs/dbraw/zinc/85/94/16/646859416.db2.gz GXJHDWGAMHWUKL-UHFFFAOYSA-N 0 1 274.324 2.533 20 5 CFBDMN C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC(C)(C)C1 ZINC000886123254 646882176 /nfs/dbraw/zinc/88/21/76/646882176.db2.gz VLACGRHFTJDBAH-LLVKDONJSA-N 0 1 263.341 2.858 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886832286 647155724 /nfs/dbraw/zinc/15/57/24/647155724.db2.gz FOMZYJUCOQBLIP-NHYWBVRUSA-N 0 1 294.326 2.735 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]([C@H]3CCCO3)C2)c(F)c1 ZINC000886830737 647155966 /nfs/dbraw/zinc/15/59/66/647155966.db2.gz WSUFURWINQSCBF-IUODEOHRSA-N 0 1 294.326 2.735 20 5 CFBDMN Cc1c(NC(=O)[C@@H](C)N(C)CCCF)cccc1[N+](=O)[O-] ZINC000887140022 647228344 /nfs/dbraw/zinc/22/83/44/647228344.db2.gz NKYMBTQFMRLBOJ-LLVKDONJSA-N 0 1 297.330 2.522 20 5 CFBDMN COC1(OC)CC[C@@H]1N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000925490713 648182548 /nfs/dbraw/zinc/18/25/48/648182548.db2.gz CJEBJHMMQDBGGX-RISCZKNCSA-N 0 1 294.351 2.705 20 5 CFBDMN Cc1ccc(CN[C@@H](C)c2ccnnc2)cc1[N+](=O)[O-] ZINC000926797576 648620902 /nfs/dbraw/zinc/62/09/02/648620902.db2.gz UOKUXCKNWFYWHV-NSHDSACASA-N 0 1 272.308 2.544 20 5 CFBDMN CCC[C@H](O)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000927023510 648687291 /nfs/dbraw/zinc/68/72/91/648687291.db2.gz UIYKIDKDWAFGFR-MNOVXSKESA-N 0 1 284.331 2.936 20 5 CFBDMN COc1ccccc1[C@@H]1CC[C@H](C)CN1CC[N+](=O)[O-] ZINC000930449006 649249920 /nfs/dbraw/zinc/24/99/20/649249920.db2.gz KRRIBPUVKOOHAY-JSGCOSHPSA-N 0 1 278.352 2.745 20 5 CFBDMN CCCCN(C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891448906 770621271 /nfs/dbraw/zinc/62/12/71/770621271.db2.gz GHNHZJVBHMWAHL-UHFFFAOYSA-N 0 1 268.313 2.541 20 5 CFBDMN CCN(CC[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC001167172503 770123353 /nfs/dbraw/zinc/12/33/53/770123353.db2.gz YYWVODAMNBFUIB-UHFFFAOYSA-N 0 1 258.321 2.938 20 5 CFBDMN CC(C)(C)CN(CC[N+](=O)[O-])Cc1ccccc1 ZINC001167355817 770365833 /nfs/dbraw/zinc/36/58/33/770365833.db2.gz BGCODBVMTPFODL-UHFFFAOYSA-N 0 1 250.342 2.811 20 5 CFBDMN Cc1ncn(C)c1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211191299 770448443 /nfs/dbraw/zinc/44/84/43/770448443.db2.gz RQPXLKCUIGRJQA-UHFFFAOYSA-N 0 1 250.233 2.519 20 5 CFBDMN CC(C)[N@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225793752 775594702 /nfs/dbraw/zinc/59/47/02/775594702.db2.gz DUQGLNZIUVDNRA-SNVBAGLBSA-N 0 1 268.288 2.595 20 5 CFBDMN CC(C)[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795777 775596029 /nfs/dbraw/zinc/59/60/29/775596029.db2.gz HRGQAPRXXWLRDU-NSHDSACASA-N 0 1 282.315 2.986 20 5 CFBDMN CCN1CCC(Oc2cc(C(C)=O)ccc2[N+](=O)[O-])CC1 ZINC001225804164 775598960 /nfs/dbraw/zinc/59/89/60/775598960.db2.gz OTXRPIUZZVEWFK-UHFFFAOYSA-N 0 1 292.335 2.661 20 5 CFBDMN CCN1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226257471 775758608 /nfs/dbraw/zinc/75/86/08/775758608.db2.gz FLUNNTMOQRITJD-SNVBAGLBSA-N 0 1 285.731 2.506 20 5 CFBDMN C[C@H]1CCC[C@@H]1Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227091032 776091307 /nfs/dbraw/zinc/09/13/07/776091307.db2.gz IMGWYHMGDDLOJS-UFBFGSQYSA-N 0 1 289.291 2.811 20 5 CFBDMN CCCCN(Cn1nccc1[N+](=O)[O-])[C@@H](C)CC ZINC000123704487 776098743 /nfs/dbraw/zinc/09/87/43/776098743.db2.gz GNZREFYGOAREEQ-NSHDSACASA-N 0 1 254.334 2.649 20 5 CFBDMN CN1CC[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227129334 776108365 /nfs/dbraw/zinc/10/83/65/776108365.db2.gz KDRVFLFECNOTOZ-ZETCQYMHSA-N 0 1 291.134 2.985 20 5 CFBDMN CC(C)C[C@H](C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604226 776537224 /nfs/dbraw/zinc/53/72/24/776537224.db2.gz PUNHSMYNCAWSRL-QMMMGPOBSA-N 0 1 281.312 2.781 20 5 CFBDMN Cc1c(COC2CN(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001223333617 776585512 /nfs/dbraw/zinc/58/55/12/776585512.db2.gz ZGHYHCWJWHMSRA-UHFFFAOYSA-N 0 1 278.352 2.903 20 5 CFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@H](C)C2)cc1O ZINC001228813834 776621182 /nfs/dbraw/zinc/62/11/82/776621182.db2.gz GOSYQZOPXARDLT-RKDXNWHRSA-N 0 1 295.291 2.654 20 5 CFBDMN CCN1CCC(Oc2c(C(C)=O)cccc2[N+](=O)[O-])CC1 ZINC001228970527 776672994 /nfs/dbraw/zinc/67/29/94/776672994.db2.gz 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C[C@@H](O)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092969465 500889551 /nfs/dbraw/zinc/88/95/51/500889551.db2.gz LEJZFNIDNBNGFM-DIECRNLCSA-N 0 1 290.363 2.701 20 5 CFBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000263487443 519637840 /nfs/dbraw/zinc/63/78/40/519637840.db2.gz HRCGCSBSCCQUMB-UHFFFAOYSA-N 0 1 286.715 2.543 20 5 CFBDMN CCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049480550 521512540 /nfs/dbraw/zinc/51/25/40/521512540.db2.gz BOSMVGTUZHLPLV-VIFPVBQESA-N 0 1 299.758 2.917 20 5 CFBDMN CC[C@@H](CSC)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356780313 522602338 /nfs/dbraw/zinc/60/23/38/522602338.db2.gz NLTXAVVGLZAPIZ-JTQLQIEISA-N 0 1 298.364 2.514 20 5 CFBDMN COc1ccc(CNCc2ccsc2)cc1[N+](=O)[O-] ZINC000059639521 524073378 /nfs/dbraw/zinc/07/33/78/524073378.db2.gz QOMJXLAFVXUYGD-UHFFFAOYSA-N 0 1 278.333 2.955 20 5 CFBDMN C[C@@H]1OCC[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000230152446 525582561 /nfs/dbraw/zinc/58/25/61/525582561.db2.gz 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DXQFVHKJUCUXDX-UHFFFAOYSA-N 0 1 292.335 2.828 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1NCc1cc(N(C)C)ccn1 ZINC000895466940 618600728 /nfs/dbraw/zinc/60/07/28/618600728.db2.gz YKJGSYMNJSSCAQ-UHFFFAOYSA-N 0 1 286.335 2.976 20 5 CFBDMN CCn1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000892620692 618658049 /nfs/dbraw/zinc/65/80/49/618658049.db2.gz DDBFADMVKYJKOY-NSHDSACASA-N 0 1 288.351 2.970 20 5 CFBDMN O=C(OCCCSCc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000840669644 619263491 /nfs/dbraw/zinc/26/34/91/619263491.db2.gz FZPOSARKQMVQQF-CHWSQXEVSA-N 0 1 295.360 2.518 20 5 CFBDMN COc1ccc([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000840670840 619301936 /nfs/dbraw/zinc/30/19/36/619301936.db2.gz KNUXNRMJOOKNFM-BCMRRPTOSA-N 0 1 299.710 2.618 20 5 CFBDMN CN1CC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000895769768 619603316 /nfs/dbraw/zinc/60/33/16/619603316.db2.gz IAVXFCLHOJOWBN-LBPRGKRZSA-N 0 1 293.367 2.888 20 5 CFBDMN CC(C)c1ccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263531232 620155285 /nfs/dbraw/zinc/15/52/85/620155285.db2.gz WQQKKFUMLBKIFY-NSHDSACASA-N 0 1 294.351 2.871 20 5 CFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cn(C)cn1 ZINC000898043111 620328521 /nfs/dbraw/zinc/32/85/21/620328521.db2.gz FBDJLUSAQRLAGS-WUXMJOGZSA-N 0 1 286.335 2.521 20 5 CFBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000902005359 620955423 /nfs/dbraw/zinc/95/54/23/620955423.db2.gz DMBMLAMYRIIUAY-SZTZYQKNSA-N 0 1 290.319 2.547 20 5 CFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000903630772 621411792 /nfs/dbraw/zinc/41/17/92/621411792.db2.gz DHWGTSCCKNVAQB-GRYCIOLGSA-N 0 1 292.335 2.698 20 5 CFBDMN COC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000832744522 625505073 /nfs/dbraw/zinc/50/50/73/625505073.db2.gz DWZQMRCWPQKWQI-GFCCVEGCSA-N 0 1 296.342 2.982 20 5 CFBDMN Cc1ccc(CNCc2ccncc2C)cc1[N+](=O)[O-] ZINC000228661716 623156052 /nfs/dbraw/zinc/15/60/52/623156052.db2.gz AOZVSWPQGOSBBT-UHFFFAOYSA-N 0 1 271.320 2.896 20 5 CFBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000171640076 623236066 /nfs/dbraw/zinc/23/60/66/623236066.db2.gz TVGAJAIBMQKWLX-NSHDSACASA-N 0 1 282.315 2.592 20 5 CFBDMN CCCCCN(CCO)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171859452 623245872 /nfs/dbraw/zinc/24/58/72/623245872.db2.gz UTYZIXUMSQPGJG-UHFFFAOYSA-N 0 1 284.331 2.718 20 5 CFBDMN CC[C@H]1CN(C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823200207 623260105 /nfs/dbraw/zinc/26/01/05/623260105.db2.gz RSZVZCYVTUBEDF-ZDUSSCGKSA-N 0 1 297.786 2.774 20 5 CFBDMN O=C(NCCCCC1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000825676548 623736875 /nfs/dbraw/zinc/73/68/75/623736875.db2.gz HEECFWHJJIFLFR-UHFFFAOYSA-N 0 1 278.308 2.611 20 5 CFBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)[C@H]1O ZINC000827152058 623955085 /nfs/dbraw/zinc/95/50/85/623955085.db2.gz PWTKXZVILSINQC-MSRIBSCDSA-N 0 1 298.770 2.697 20 5 CFBDMN C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000915208257 623998698 /nfs/dbraw/zinc/99/86/98/623998698.db2.gz DEKBZBOHQALRBK-BNOWGMLFSA-N 0 1 278.356 2.649 20 5 CFBDMN CC[C@H](C)CN(CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000174948671 624915788 /nfs/dbraw/zinc/91/57/88/624915788.db2.gz UXXFBZZCKIKWBJ-JTQLQIEISA-N 0 1 268.361 2.734 20 5 CFBDMN C[C@@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C ZINC000770993597 625962031 /nfs/dbraw/zinc/96/20/31/625962031.db2.gz HDXCOXMCLYKNHA-BBBLOLIVSA-N 0 1 266.297 2.904 20 5 CFBDMN Cc1ccc(NCCNCc2csc([N+](=O)[O-])c2)nc1 ZINC000922924630 626425561 /nfs/dbraw/zinc/42/55/61/626425561.db2.gz GCLOLKBMHUGYMN-UHFFFAOYSA-N 0 1 292.364 2.561 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC2([C@@H]3CCCCO3)CC2)c(F)c1 ZINC000923031174 626444431 /nfs/dbraw/zinc/44/44/31/626444431.db2.gz VKECQWRWJBMOKB-AWEZNQCLSA-N 0 1 294.326 2.925 20 5 CFBDMN CCc1cc(CNc2c(F)cc([N+](=O)[O-])cc2F)n[nH]1 ZINC000749320537 626540646 /nfs/dbraw/zinc/54/06/46/626540646.db2.gz YKUXDDMQGVSEJK-UHFFFAOYSA-N 0 1 282.250 2.771 20 5 CFBDMN CCc1ccc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)cc1 ZINC000839686796 626550955 /nfs/dbraw/zinc/55/09/55/626550955.db2.gz PTWKXKFXEQCCMG-KFWWJZLASA-N 0 1 290.363 2.728 20 5 CFBDMN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839699304 626551395 /nfs/dbraw/zinc/55/13/95/626551395.db2.gz VLYIXHBUYWRSQP-RBSFLKMASA-N 0 1 288.347 2.714 20 5 CFBDMN O=C(Nc1cccc(NC2CCCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839671536 626551638 /nfs/dbraw/zinc/55/16/38/626551638.db2.gz LSAYNNONVNDFDV-ZIAGYGMSSA-N 0 1 289.335 2.645 20 5 CFBDMN CC(C)c1ccc(C[C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839716537 626553080 /nfs/dbraw/zinc/55/30/80/626553080.db2.gz AEKDZIIPFLDMFM-NILFDRSVSA-N 0 1 290.363 2.522 20 5 CFBDMN O=C(Nc1csc2ccccc12)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839721630 626553381 /nfs/dbraw/zinc/55/33/81/626553381.db2.gz XGAPHHOEBFULQC-PSASIEDQSA-N 0 1 262.290 2.505 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1COC(C)(C)OC1 ZINC000757704250 626559313 /nfs/dbraw/zinc/55/93/13/626559313.db2.gz IIQLVTXURXGSQY-NSHDSACASA-N 0 1 294.351 2.705 20 5 CFBDMN CC(C)CONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000762619627 626926269 /nfs/dbraw/zinc/92/62/69/626926269.db2.gz NKXUBHHDRAWSBI-UHFFFAOYSA-N 0 1 298.314 2.715 20 5 CFBDMN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000765636524 627152144 /nfs/dbraw/zinc/15/21/44/627152144.db2.gz QJYNRDNLKWNCPN-QWRGUYRKSA-N 0 1 281.331 2.653 20 5 CFBDMN CC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774853037 627971751 /nfs/dbraw/zinc/97/17/51/627971751.db2.gz MLUBDXNCGYGJGN-LLVKDONJSA-N 0 1 279.296 2.877 20 5 CFBDMN COC(=O)/C(C)=C/CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775550002 628035786 /nfs/dbraw/zinc/03/57/86/628035786.db2.gz WCMNHJVHOMVBDU-YTRUQHMWSA-N 0 1 292.335 2.673 20 5 CFBDMN CCN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777951437 628267153 /nfs/dbraw/zinc/26/71/53/628267153.db2.gz JMOHVYSDUZCWAT-UHFFFAOYSA-N 0 1 286.335 2.900 20 5 CFBDMN CC[C@H](C)[C@H]1CCCCN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860976 628415271 /nfs/dbraw/zinc/41/52/71/628415271.db2.gz 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CCn1cc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783636335 628729045 /nfs/dbraw/zinc/72/90/45/628729045.db2.gz OPIDQIMQJPCFCK-UHFFFAOYSA-N 0 1 294.742 2.754 20 5 CFBDMN C[C@H](O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783659053 628731652 /nfs/dbraw/zinc/73/16/52/628731652.db2.gz FYLYMOQUIXPDID-JQWIXIFHSA-N 0 1 298.770 2.841 20 5 CFBDMN CC[C@@]1(O)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783678933 628733936 /nfs/dbraw/zinc/73/39/36/628733936.db2.gz BLHJWSOBUJBUNC-CYBMUJFWSA-N 0 1 284.743 2.595 20 5 CFBDMN O=[N+]([O-])CCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000791054645 629284069 /nfs/dbraw/zinc/28/40/69/629284069.db2.gz MYEHPVSCPATRHU-CYBMUJFWSA-N 0 1 252.289 2.533 20 5 CFBDMN O=[N+]([O-])CCNC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000791053341 629284295 /nfs/dbraw/zinc/28/42/95/629284295.db2.gz DONSWLIVJDPOML-UHFFFAOYSA-N 0 1 288.269 2.951 20 5 CFBDMN O=[N+]([O-])CCN1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000791052457 629284320 /nfs/dbraw/zinc/28/43/20/629284320.db2.gz OFJWCKJQQZQVBS-STQMWFEESA-N 0 1 298.408 2.693 20 5 CFBDMN Cc1[nH]c2ccccc2c1C1CCN(CC[N+](=O)[O-])CC1 ZINC000791052394 629284389 /nfs/dbraw/zinc/28/43/89/629284389.db2.gz MVGUERSRLFQLAS-UHFFFAOYSA-N 0 1 287.363 2.932 20 5 CFBDMN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2cncn2c1 ZINC000792563896 629434606 /nfs/dbraw/zinc/43/46/06/629434606.db2.gz GHJATVSPKWZSMQ-UHFFFAOYSA-N 0 1 297.270 2.600 20 5 CFBDMN C[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793249142 629513420 /nfs/dbraw/zinc/51/34/20/629513420.db2.gz DPFYZCHCPMKMOG-AWEZNQCLSA-N 0 1 298.770 2.985 20 5 CFBDMN CC[C@@H]1CCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000793820997 629597878 /nfs/dbraw/zinc/59/78/78/629597878.db2.gz NVPZZENYCGYWJD-CQSZACIVSA-N 0 1 286.335 2.900 20 5 CFBDMN Cc1nn(CN(C)[C@@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000794685956 629674804 /nfs/dbraw/zinc/67/48/04/629674804.db2.gz OKEKKICZYNQOQN-LLVKDONJSA-N 0 1 266.345 2.568 20 5 CFBDMN O=C(OC[C@H]1CCCCC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000835644179 629912018 /nfs/dbraw/zinc/91/20/18/629912018.db2.gz UYKAVFBLYYFADZ-MRVPVSSYSA-N 0 1 288.250 2.905 20 5 CFBDMN O=[N+]([O-])c1cccc(OCCN2CCC(F)(F)CC2)c1 ZINC000796543085 629932979 /nfs/dbraw/zinc/93/29/79/629932979.db2.gz PGIIUCNIBCIWFU-UHFFFAOYSA-N 0 1 286.278 2.705 20 5 CFBDMN O=C(CC1CCC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837550033 631063080 /nfs/dbraw/zinc/06/30/80/631063080.db2.gz KXARRBFCOXUJGL-UHFFFAOYSA-N 0 1 265.265 2.534 20 5 CFBDMN C[C@H]1CC[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000837616905 631087462 /nfs/dbraw/zinc/08/74/62/631087462.db2.gz RVQDSYMDHLGPIW-UWVGGRQHSA-N 0 1 279.292 2.780 20 5 CFBDMN CCc1cc(C)cc(CC)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841217867 631360531 /nfs/dbraw/zinc/36/05/31/631360531.db2.gz QQNDDWZSAKTTRY-CHWSQXEVSA-N 0 1 276.336 2.724 20 5 CFBDMN O=C(O[C@H]1CCc2sc(Cl)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000842323297 631591829 /nfs/dbraw/zinc/59/18/29/631591829.db2.gz IYZHSDDUMQYEHN-NJUXHZRNSA-N 0 1 287.724 2.597 20 5 CFBDMN Cc1cccc2c1[C@@H](C)C[C@H]2OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842331840 631595479 /nfs/dbraw/zinc/59/54/79/631595479.db2.gz NUYLVMULOREZRC-WKSBVSIWSA-N 0 1 275.304 2.752 20 5 CFBDMN C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(F)(F)F ZINC000842946184 631790148 /nfs/dbraw/zinc/79/01/48/631790148.db2.gz JJBVBQSURMSTKC-ZCFIWIBFSA-N 0 1 280.202 2.668 20 5 CFBDMN CCCN[C@H](C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000843218902 631901114 /nfs/dbraw/zinc/90/11/14/631901114.db2.gz JTAGIJAQUGARHJ-SSDOTTSWSA-N 0 1 282.325 2.767 20 5 CFBDMN Cc1ncsc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576753 632291148 /nfs/dbraw/zinc/29/11/48/632291148.db2.gz XTFATZQCXLBUQO-QMMMGPOBSA-N 0 1 292.364 2.793 20 5 CFBDMN CC[C@H]1CN(C)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000816660797 632507713 /nfs/dbraw/zinc/50/77/13/632507713.db2.gz PSFNENNIJAXGRP-LBPRGKRZSA-N 0 1 297.786 2.774 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](CO)CC2)cc1Cl ZINC000816666975 632508174 /nfs/dbraw/zinc/50/81/74/632508174.db2.gz YWSYUQRGXQTSEW-NSHDSACASA-N 0 1 298.770 2.843 20 5 CFBDMN C[C@@H]1CCCN1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848480675 633264918 /nfs/dbraw/zinc/26/49/18/633264918.db2.gz QGHCJAFVLSBROA-GFCCVEGCSA-N 0 1 286.335 2.900 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@H]2C[C@H]21 ZINC000849860045 633745495 /nfs/dbraw/zinc/74/54/95/633745495.db2.gz ZGGJULDXNNIKIX-ZWKOPEQDSA-N 0 1 291.303 2.780 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H](O)c3ccccc32)cc1 ZINC000850368257 633958831 /nfs/dbraw/zinc/95/88/31/633958831.db2.gz APBLGGXPGCCUIB-JKSUJKDBSA-N 0 1 284.315 2.863 20 5 CFBDMN CCCN[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504868 634069835 /nfs/dbraw/zinc/06/98/35/634069835.db2.gz HLIXHSBVEVQAPH-VIFPVBQESA-N 0 1 276.296 2.705 20 5 CFBDMN O=[N+]([O-])c1cc(F)c(N2CCCc3[nH]ncc3C2)c(F)c1 ZINC000852967709 634868628 /nfs/dbraw/zinc/86/86/28/634868628.db2.gz HTKCAVUTPUSKFL-UHFFFAOYSA-N 0 1 294.261 2.549 20 5 CFBDMN CC(C)c1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000853921070 635164906 /nfs/dbraw/zinc/16/49/06/635164906.db2.gz OCLNDZUQBPPISH-CHWSQXEVSA-N 0 1 263.293 2.518 20 5 CFBDMN CC[C@H](NC)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000854159461 635235267 /nfs/dbraw/zinc/23/52/67/635235267.db2.gz CHZSEHWVVIBTAD-JTQLQIEISA-N 0 1 276.296 2.624 20 5 CFBDMN C[C@@H]1C[C@H](c2ccccc2)CN1Cn1nccc1[N+](=O)[O-] ZINC000115512569 636018040 /nfs/dbraw/zinc/01/80/40/636018040.db2.gz NCYJDEQTLAAUDP-OCCSQVGLSA-N 0 1 286.335 2.627 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@@H]2F)cc1 ZINC000865699454 638523305 /nfs/dbraw/zinc/52/33/05/638523305.db2.gz RJMMRBGZQCQIRB-QWHCGFSZSA-N 0 1 252.289 2.965 20 5 CFBDMN C[C@H](NCC(C)(C)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866408555 638816656 /nfs/dbraw/zinc/81/66/56/638816656.db2.gz ANDQKPFZQFHGRT-QMMMGPOBSA-N 0 1 255.293 2.576 20 5 CFBDMN Cc1nn(CN2CCC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121052578 638819241 /nfs/dbraw/zinc/81/92/41/638819241.db2.gz QJVKRFVPRLTLQU-LLVKDONJSA-N 0 1 288.351 2.942 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1-c1nc([C@H]2CCCN2)no1 ZINC000871789499 641458701 /nfs/dbraw/zinc/45/87/01/641458701.db2.gz ZDPRESPVUOVHAG-SNVBAGLBSA-N 0 1 288.307 2.686 20 5 CFBDMN C[C@@H](Cn1cccn1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046441 641581017 /nfs/dbraw/zinc/58/10/17/641581017.db2.gz HKTSFDRGNNSNNU-QWRGUYRKSA-N 0 1 292.314 2.670 20 5 CFBDMN C[C@H](N[C@H]1CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872046948 641581539 /nfs/dbraw/zinc/58/15/39/641581539.db2.gz AAJIUCMNSUYEAE-IUCAKERBSA-N 0 1 270.329 2.890 20 5 CFBDMN C[C@@H](N[C@H](CCO)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049560 641584118 /nfs/dbraw/zinc/58/41/18/641584118.db2.gz STGDBRQQHSEHFU-BXKDBHETSA-N 0 1 282.315 2.546 20 5 CFBDMN CO[C@@H](C)[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064293 641596953 /nfs/dbraw/zinc/59/69/53/641596953.db2.gz FJXYXZZPGHSILN-GUBZILKMSA-N 0 1 270.304 2.808 20 5 CFBDMN C[C@@H](NCCC1(O)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070780 641602006 /nfs/dbraw/zinc/60/20/06/641602006.db2.gz WIQWAVBHLPHEFV-SNVBAGLBSA-N 0 1 282.315 2.690 20 5 CFBDMN C[C@H](NCCC(C)(C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872074118 641605785 /nfs/dbraw/zinc/60/57/85/641605785.db2.gz BPSMOHFCJHYZRE-JTQLQIEISA-N 0 1 284.331 2.793 20 5 CFBDMN C[C@H](NC[C@@H]1CC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077516 641610122 /nfs/dbraw/zinc/61/01/22/641610122.db2.gz JWXKSCPJBKOTIE-VWYCJHECSA-N 0 1 282.315 2.952 20 5 CFBDMN CC1(C)[C@H]2[C@H](CCCN2Cc2cccc([N+](=O)[O-])c2)[C@@H]1O ZINC000872254997 641718592 /nfs/dbraw/zinc/71/85/92/641718592.db2.gz NVBLKHIUAWBCHN-ZNMIVQPWSA-N 0 1 290.363 2.576 20 5 CFBDMN CCn1ncc(Nc2sccc2[N+](=O)[O-])c1C ZINC000872778202 641932292 /nfs/dbraw/zinc/93/22/92/641932292.db2.gz CZSPNQZWKKSPMM-UHFFFAOYSA-N 0 1 252.299 2.925 20 5 CFBDMN CN1CCC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1Cl ZINC000872781032 641934403 /nfs/dbraw/zinc/93/44/03/641934403.db2.gz PCZGTEPTKVKIGD-KGLIPLIRSA-N 0 1 295.770 2.921 20 5 CFBDMN CN1CCC[C@@H]2[C@@H]1CCN2c1c(F)cc([N+](=O)[O-])cc1F ZINC000872780131 641934701 /nfs/dbraw/zinc/93/47/01/641934701.db2.gz JUJYXYSUQBJPKQ-QWHCGFSZSA-N 0 1 297.305 2.546 20 5 CFBDMN CN1CCC[C@H]2[C@H]1CCN2c1c(F)cc([N+](=O)[O-])cc1F ZINC000872780130 641935159 /nfs/dbraw/zinc/93/51/59/641935159.db2.gz JUJYXYSUQBJPKQ-OLZOCXBDSA-N 0 1 297.305 2.546 20 5 CFBDMN Cc1cc(CNCc2c(C)ccc([N+](=O)[O-])c2C)n(C)n1 ZINC000873123085 642019194 /nfs/dbraw/zinc/01/91/94/642019194.db2.gz YGHLQCOCCHUEFS-UHFFFAOYSA-N 0 1 288.351 2.543 20 5 CFBDMN O=[N+]([O-])c1cc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)cs1 ZINC000873154844 642036068 /nfs/dbraw/zinc/03/60/68/642036068.db2.gz BKYSPUVUJXODOS-SDDRHHMPSA-N 0 1 282.365 2.704 20 5 CFBDMN CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000879317542 644221693 /nfs/dbraw/zinc/22/16/93/644221693.db2.gz FNOVQPKZAXDTNW-BXUZGUMPSA-N 0 1 264.325 2.594 20 5 CFBDMN CC(C)(O)[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000879964944 644480625 /nfs/dbraw/zinc/48/06/25/644480625.db2.gz UFEIFLJPCSTBDG-LBPRGKRZSA-N 0 1 296.342 2.717 20 5 CFBDMN O=[N+]([O-])c1ccc(CCNC2(c3ncccn3)CCC2)cc1 ZINC000880365930 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CC[C@H](C)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000104687801 393861706 /nfs/dbraw/zinc/86/17/06/393861706.db2.gz BCLYYILFDFVDPU-JTQLQIEISA-N 0 1 280.324 2.692 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN(C(C)C)C1CC1 ZINC000430211234 393968977 /nfs/dbraw/zinc/96/89/77/393968977.db2.gz XDVVTFWGPCYWDA-UHFFFAOYSA-N 0 1 264.325 2.976 20 5 CFBDMN CC1=C[C@H](C)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430285319 393979574 /nfs/dbraw/zinc/97/95/74/393979574.db2.gz SGTBFJFEDQJZSR-LBPRGKRZSA-N 0 1 276.336 2.872 20 5 CFBDMN CC(C)N1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269666790 394005172 /nfs/dbraw/zinc/00/51/72/394005172.db2.gz WAEBOZLJLAJGSB-UHFFFAOYSA-N 0 1 299.321 2.794 20 5 CFBDMN CC(C)c1ccc(CN(C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000132113614 394147416 /nfs/dbraw/zinc/14/74/16/394147416.db2.gz CANPSVPJJIBNLU-CYBMUJFWSA-N 0 1 278.352 2.939 20 5 CFBDMN Cc1cc(CNCc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000421368184 394204171 /nfs/dbraw/zinc/20/41/71/394204171.db2.gz BJSBBUQJMWTUJG-UHFFFAOYSA-N 0 1 271.320 2.896 20 5 CFBDMN CCn1ccnc1CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000453330163 394386392 /nfs/dbraw/zinc/38/63/92/394386392.db2.gz UUZVAGVZOOKAFE-LBPRGKRZSA-N 0 1 288.351 2.532 20 5 CFBDMN C[C@H](C1CC1)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000556799542 395015827 /nfs/dbraw/zinc/01/58/27/395015827.db2.gz QMFTYHOPTJHQBM-SECBINFHSA-N 0 1 250.298 2.531 20 5 CFBDMN CC[C@@H]1C[N@@H+](C)CCN1c1cc(C)c([N+](=O)[O-])cc1F ZINC000558980083 395080372 /nfs/dbraw/zinc/08/03/72/395080372.db2.gz CIRPAAFXBDZACB-LLVKDONJSA-N 0 1 281.331 2.573 20 5 CFBDMN CC[C@@H]1CN(C)CCN1c1cc(C)c([N+](=O)[O-])cc1F ZINC000558980083 395080376 /nfs/dbraw/zinc/08/03/76/395080376.db2.gz CIRPAAFXBDZACB-LLVKDONJSA-N 0 1 281.331 2.573 20 5 CFBDMN CCC[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)OC ZINC000356389433 155251017 /nfs/dbraw/zinc/25/10/17/155251017.db2.gz CISSNIOGTFQCKK-LBPRGKRZSA-N 0 1 270.304 2.639 20 5 CFBDMN C[C@H](NCc1c[nH]c2nccnc12)c1ccccc1[N+](=O)[O-] ZINC000356442035 155267385 /nfs/dbraw/zinc/26/73/85/155267385.db2.gz SZXHRJGKYNDSKQ-JTQLQIEISA-N 0 1 297.318 2.669 20 5 CFBDMN Cc1cscc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356762105 155357836 /nfs/dbraw/zinc/35/78/36/155357836.db2.gz GKWLCRKIVRBBOY-UHFFFAOYSA-N 0 1 278.289 2.923 20 5 CFBDMN Cc1ccnc(NCCc2ccc3cn[nH]c3c2)c1[N+](=O)[O-] ZINC000343060174 154100103 /nfs/dbraw/zinc/10/01/03/154100103.db2.gz JCXXZKUTXYDBEU-UHFFFAOYSA-N 0 1 297.318 2.829 20 5 CFBDMN Cc1cc(C)cc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])c1 ZINC000363064406 156145943 /nfs/dbraw/zinc/14/59/43/156145943.db2.gz ZOMFNHDQONUBDJ-SOUVJXGZSA-N 0 1 288.347 2.632 20 5 CFBDMN Cc1ccc2nc(CNc3ccc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000342445659 161630405 /nfs/dbraw/zinc/63/04/05/161630405.db2.gz ZNORVHNHBISAJK-UHFFFAOYSA-N 0 1 283.291 2.787 20 5 CFBDMN O=[N+]([O-])c1cccc(CNCc2ccc3cc[nH]c3n2)c1 ZINC000353223267 163320608 /nfs/dbraw/zinc/32/06/08/163320608.db2.gz SGXKEAJQXGKHMI-UHFFFAOYSA-N 0 1 282.303 2.761 20 5 CFBDMN COc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000020186569 171050898 /nfs/dbraw/zinc/05/08/98/171050898.db2.gz LDDGIWBZQRKCTM-NSHDSACASA-N 0 1 287.319 2.849 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1F ZINC000284753904 196124589 /nfs/dbraw/zinc/12/45/89/196124589.db2.gz LPVKBYODRSUPFP-HUUCEWRRSA-N 0 1 294.326 2.877 20 5 CFBDMN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1 ZINC000035368237 172159538 /nfs/dbraw/zinc/15/95/38/172159538.db2.gz WZLWOLBETXKNLQ-RNCFNFMXSA-N 0 1 284.743 2.905 20 5 CFBDMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000044499300 175184731 /nfs/dbraw/zinc/18/47/31/175184731.db2.gz WKIOQQZVGZHBKZ-MNOVXSKESA-N 0 1 274.324 2.740 20 5 CFBDMN COC[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000077897108 177307587 /nfs/dbraw/zinc/30/75/87/177307587.db2.gz VFMIZLJLWAALAG-JTQLQIEISA-N 0 1 284.743 2.717 20 5 CFBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000089513216 260184709 /nfs/dbraw/zinc/18/47/09/260184709.db2.gz XSLWUCQLCXXPPK-JTQLQIEISA-N 0 1 275.283 2.980 20 5 CFBDMN Cc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000417992645 533685512 /nfs/dbraw/zinc/68/55/12/533685512.db2.gz OUTMWTXFVKLFPR-UHFFFAOYSA-N 0 1 288.351 2.662 20 5 CFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000227832198 270258131 /nfs/dbraw/zinc/25/81/31/270258131.db2.gz PKLGDKDXBIIRBK-ABAIWWIYSA-N 0 1 292.335 2.843 20 5 CFBDMN COCCCCN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000397370536 270317888 /nfs/dbraw/zinc/31/78/88/270317888.db2.gz QNAFOPKYFBMWTP-UHFFFAOYSA-N 0 1 270.304 2.592 20 5 CFBDMN CCN1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182627667 273664268 /nfs/dbraw/zinc/66/42/68/273664268.db2.gz ZKOVBDCGKUDOEI-CYBMUJFWSA-N 0 1 277.368 2.602 20 5 CFBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000222511395 274255513 /nfs/dbraw/zinc/25/55/13/274255513.db2.gz FKIKAWUKGAZWSA-VHSXEESVSA-N 0 1 260.297 2.730 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000271026705 276040720 /nfs/dbraw/zinc/04/07/20/276040720.db2.gz ZVYBYBPSVOBYQA-NXEZZACHSA-N 0 1 294.355 2.559 20 5 CFBDMN CN(C)[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000067949202 276827760 /nfs/dbraw/zinc/82/77/60/276827760.db2.gz UCKLMHABIVQXKU-ZDUSSCGKSA-N 0 1 275.308 2.903 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000269520372 278000806 /nfs/dbraw/zinc/00/08/06/278000806.db2.gz QFJGTEJVCMLCEA-VHSXEESVSA-N 0 1 294.355 2.702 20 5 CFBDMN CSC1(CN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000347780075 278124303 /nfs/dbraw/zinc/12/43/03/278124303.db2.gz KWOVFYZGOVNREV-UHFFFAOYSA-N 0 1 278.377 2.849 20 5 CFBDMN C[C@@]1(F)CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449350784 278125214 /nfs/dbraw/zinc/12/52/14/278125214.db2.gz NJIGTZLMGXCHHW-CYBMUJFWSA-N 0 1 268.288 2.624 20 5 CFBDMN Cc1cc(N2C[C@@H]3COC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000368109215 280585820 /nfs/dbraw/zinc/58/58/20/280585820.db2.gz NPFFWPAPWUHJHI-TXEJJXNPSA-N 0 1 299.330 2.534 20 5 CFBDMN COC[C@H](NCc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000119804416 280610764 /nfs/dbraw/zinc/61/07/64/280610764.db2.gz IVJXMCRXCHEBFJ-LBPRGKRZSA-N 0 1 284.743 2.763 20 5 CFBDMN CC[C@H]1C[C@H](C)CN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000332735546 281234902 /nfs/dbraw/zinc/23/49/02/281234902.db2.gz XZJIROJKZZDABP-UWVGGRQHSA-N 0 1 294.355 2.702 20 5 CFBDMN Cc1cscc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161614789 281762352 /nfs/dbraw/zinc/76/23/52/281762352.db2.gz VZCVMERYAURBGY-UHFFFAOYSA-N 0 1 298.345 2.766 20 5 CFBDMN C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000166633587 290062486 /nfs/dbraw/zinc/06/24/86/290062486.db2.gz VZBKFZBMDYKLNP-GOPGUHFVSA-N 0 1 298.342 2.904 20 5 CFBDMN COc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000566630666 290406492 /nfs/dbraw/zinc/40/64/92/290406492.db2.gz NCAXBBPQKLYDSF-CQSZACIVSA-N 0 1 299.330 2.776 20 5 CFBDMN CC(C)C[C@H](N)c1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000339393447 519377813 /nfs/dbraw/zinc/37/78/13/519377813.db2.gz GROWFRJGSANIFG-LBPRGKRZSA-N 0 1 290.323 2.615 20 5 CFBDMN CCCCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C(C)C ZINC000354728547 520145874 /nfs/dbraw/zinc/14/58/74/520145874.db2.gz HRHKRPGAPOOMGH-UHFFFAOYSA-N 0 1 282.344 2.667 20 5 CFBDMN CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000195527273 520360218 /nfs/dbraw/zinc/36/02/18/520360218.db2.gz CMVICRVUIFDZFX-UHFFFAOYSA-N 0 1 299.758 2.917 20 5 CFBDMN CCCCN(CCOC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000068853418 520536110 /nfs/dbraw/zinc/53/61/10/520536110.db2.gz QEPOMGLHAMRBJE-UHFFFAOYSA-N 0 1 296.367 2.852 20 5 CFBDMN CCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049480551 521514470 /nfs/dbraw/zinc/51/44/70/521514470.db2.gz BOSMVGTUZHLPLV-SECBINFHSA-N 0 1 299.758 2.917 20 5 CFBDMN CC[C@@H](COC)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000079742451 522595827 /nfs/dbraw/zinc/59/58/27/522595827.db2.gz SZFNCRPSXVJUNI-JTQLQIEISA-N 0 1 272.732 2.763 20 5 CFBDMN Cc1cccc(NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000158248810 524675241 /nfs/dbraw/zinc/67/52/41/524675241.db2.gz HXVJYOFUXFJKDK-UHFFFAOYSA-N 0 1 257.293 2.953 20 5 CFBDMN C[C@H]1OCC[C@]1(C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000235650054 525054685 /nfs/dbraw/zinc/05/46/85/525054685.db2.gz IFTUKTWGTWFTDW-RNCFNFMXSA-N 0 1 284.743 2.905 20 5 CFBDMN Cc1cc(NCc2ccn(C)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000317017033 525282488 /nfs/dbraw/zinc/28/24/88/525282488.db2.gz BVDAPOMASAEPQB-UHFFFAOYSA-N 0 1 297.318 2.797 20 5 CFBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000077221020 525450016 /nfs/dbraw/zinc/45/00/16/525450016.db2.gz QVQHEGIZYXBWBU-LBPRGKRZSA-N 0 1 299.330 2.712 20 5 CFBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000056196949 525535254 /nfs/dbraw/zinc/53/52/54/525535254.db2.gz YVVGSAMRNBFGBD-QWRGUYRKSA-N 0 1 293.367 2.549 20 5 CFBDMN C[C@@H]1OCC[C@@]1(C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000235446548 525581558 /nfs/dbraw/zinc/58/15/58/525581558.db2.gz IFTUKTWGTWFTDW-TVQRCGJNSA-N 0 1 284.743 2.905 20 5 CFBDMN O=[N+]([O-])c1ccccc1CNCCOC1CCCC1 ZINC000111607894 534887331 /nfs/dbraw/zinc/88/73/31/534887331.db2.gz TWPQLFVROQSVGY-UHFFFAOYSA-N 0 1 264.325 2.644 20 5 CFBDMN O=C([O-])[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444688 526273369 /nfs/dbraw/zinc/27/33/69/526273369.db2.gz QSBSHYPFYAEVTL-SNVBAGLBSA-N 0 1 298.726 2.545 20 5 CFBDMN O=C([O-])[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050444688 526273374 /nfs/dbraw/zinc/27/33/74/526273374.db2.gz QSBSHYPFYAEVTL-SNVBAGLBSA-N 0 1 298.726 2.545 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H](CO)C2)ccc1Cl ZINC000360876203 527329086 /nfs/dbraw/zinc/32/90/86/527329086.db2.gz ZDBAPKYZHZVVKI-GFCCVEGCSA-N 0 1 298.770 2.843 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H](CO)c3ccccc32)cc1 ZINC000364990540 527350622 /nfs/dbraw/zinc/35/06/22/527350622.db2.gz JAUAUWBVWLWGQP-SUMWQHHRSA-N 0 1 298.342 2.905 20 5 CFBDMN Cn1cnc([N+](=O)[O-])c1CN1CCCC2(CCCCC2)C1 ZINC000363427747 527489201 /nfs/dbraw/zinc/48/92/01/527489201.db2.gz YTCUNKSRVSBSJZ-UHFFFAOYSA-N 0 1 292.383 2.875 20 5 CFBDMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000050925108 527599379 /nfs/dbraw/zinc/59/93/79/527599379.db2.gz JAOQPAGAOYDZBD-CYBMUJFWSA-N 0 1 292.335 2.814 20 5 CFBDMN CCc1noc(C)c1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000755152527 574143056 /nfs/dbraw/zinc/14/30/56/574143056.db2.gz NUUAXFGGZGOUPA-UHFFFAOYSA-N 0 1 293.254 2.845 20 5 CFBDMN Cn1ccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000748098771 574229418 /nfs/dbraw/zinc/22/94/18/574229418.db2.gz NKIRZXUTVNGSDD-UHFFFAOYSA-N 0 1 279.727 2.877 20 5 CFBDMN O=C(O[C@H]1CCc2ccc(F)cc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000749061936 574278567 /nfs/dbraw/zinc/27/85/67/574278567.db2.gz AWGODSUDDZXBLY-LBPRGKRZSA-N 0 1 290.250 2.906 20 5 CFBDMN C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000093633527 601114244 /nfs/dbraw/zinc/11/42/44/601114244.db2.gz OQTGBGCGPUIMQT-UHFFFAOYSA-N 0 1 286.715 2.543 20 5 CFBDMN C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C(=O)[O-])C1CC1 ZINC000833694684 605131238 /nfs/dbraw/zinc/13/12/38/605131238.db2.gz XVXGCCWNUYLLKO-LBPRGKRZSA-N 0 1 298.726 2.543 20 5 CFBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1coc2ccccc21 ZINC000851477558 634382951 /nfs/dbraw/zinc/38/29/51/634382951.db2.gz IMLBCRNQGOPVFD-HLUHBDAQSA-N 0 1 275.260 2.702 20 5 CFBDMN COc1c(O)ccc(C[N@H+]2CCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000891618937 617687811 /nfs/dbraw/zinc/68/78/11/617687811.db2.gz VWNYMOTXUPHUER-LBPRGKRZSA-N 0 1 294.351 2.929 20 5 CFBDMN COC(C)(C)[C@H](C)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000932372085 617696817 /nfs/dbraw/zinc/69/68/17/617696817.db2.gz FISWKEYNINDZSO-QMMMGPOBSA-N 0 1 288.294 2.776 20 5 CFBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964257 618054721 /nfs/dbraw/zinc/05/47/21/618054721.db2.gz BWEJNFNONDWBGB-UHFFFAOYSA-N 0 1 286.715 2.545 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CNC1([C@H]2CCCCO2)CC1 ZINC000933372253 618212422 /nfs/dbraw/zinc/21/24/22/618212422.db2.gz IYWWLMZZFZIVPC-CQSZACIVSA-N 0 1 294.326 2.925 20 5 CFBDMN O=[N+]([O-])c1ccccc1CNC1([C@@H]2CCCCO2)CC1 ZINC000933375546 618214974 /nfs/dbraw/zinc/21/49/74/618214974.db2.gz KTHRKYVKGRDFHK-AWEZNQCLSA-N 0 1 276.336 2.786 20 5 CFBDMN CC1(C)COC[C@@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000313016362 618972613 /nfs/dbraw/zinc/97/26/13/618972613.db2.gz AYEGGTMTSSAKBK-LBPRGKRZSA-N 0 1 284.743 2.763 20 5 CFBDMN CN(Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841694946 619168843 /nfs/dbraw/zinc/16/88/43/619168843.db2.gz YRGYRWYEAITYCN-STQMWFEESA-N 0 1 280.372 2.895 20 5 CFBDMN O=C(O[C@@H](C1CCCCC1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000841167406 619264445 /nfs/dbraw/zinc/26/44/45/619264445.db2.gz AORKQVQQTDKORG-BBBLOLIVSA-N 0 1 295.257 2.706 20 5 CFBDMN Cc1ccc(CNCc2cncs2)cc1[N+](=O)[O-] ZINC000168971056 620141359 /nfs/dbraw/zinc/14/13/59/620141359.db2.gz YZNBVORZTGHVJZ-UHFFFAOYSA-N 0 1 263.322 2.650 20 5 CFBDMN CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263531231 620155239 /nfs/dbraw/zinc/15/52/39/620155239.db2.gz WQQKKFUMLBKIFY-LLVKDONJSA-N 0 1 294.351 2.871 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000902008832 620956684 /nfs/dbraw/zinc/95/66/84/620956684.db2.gz XXGPUTPOJMQWCG-GFCCVEGCSA-N 0 1 292.335 2.651 20 5 CFBDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000902010089 620956973 /nfs/dbraw/zinc/95/69/73/620956973.db2.gz OIHUFBAUMVUFLV-SNVBAGLBSA-N 0 1 298.726 2.687 20 5 CFBDMN Cc1nonc1[C@H](C)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245226 621296613 /nfs/dbraw/zinc/29/66/13/621296613.db2.gz KQMUHSQLYMLHMP-ZJUUUORDSA-N 0 1 290.323 2.741 20 5 CFBDMN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000903595804 621404517 /nfs/dbraw/zinc/40/45/17/621404517.db2.gz OQSUTGAVINYVLN-ZWNOBZJWSA-N 0 1 280.324 2.526 20 5 CFBDMN CCCCOc1ccc(CNCC[N+](=O)[O-])cc1Cl ZINC000905229749 621720539 /nfs/dbraw/zinc/72/05/39/621720539.db2.gz NDDXDIXTNJAYEA-UHFFFAOYSA-N 0 1 286.759 2.885 20 5 CFBDMN CCCn1c(=O)[nH]nc1S/C=C\c1ccc([N+](=O)[O-])o1 ZINC000821690863 622961986 /nfs/dbraw/zinc/96/19/86/622961986.db2.gz SDBRJKQBHWFOST-ALCCZGGFSA-N 0 1 296.308 2.658 20 5 CFBDMN C[C@]1(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@]1(F)Cl ZINC000822071173 623027662 /nfs/dbraw/zinc/02/76/62/623027662.db2.gz VCYKFNXZCKISIM-WDEREUQCSA-N 0 1 290.678 2.784 20 5 CFBDMN C[C@H]1CCN[C@@H](c2nc(-c3ccc([N+](=O)[O-])s3)no2)C1 ZINC000823069495 623227998 /nfs/dbraw/zinc/22/79/98/623227998.db2.gz ORAOOPXHCWPCQY-JGVFFNPUSA-N 0 1 294.336 2.767 20 5 CFBDMN CCOC[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000172156658 623265737 /nfs/dbraw/zinc/26/57/37/623265737.db2.gz RDSLBJCXQUYKKC-GFCCVEGCSA-N 0 1 296.342 2.982 20 5 CFBDMN CO[C@@]1(C)CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000230261393 623268762 /nfs/dbraw/zinc/26/87/62/623268762.db2.gz XDZICSVLFVCVLG-AWEZNQCLSA-N 0 1 282.315 2.735 20 5 CFBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)F)c1nnc[nH]1 ZINC000230431445 623275862 /nfs/dbraw/zinc/27/58/62/623275862.db2.gz LQBSCJINLRITOB-ZCFIWIBFSA-N 0 1 283.238 2.824 20 5 CFBDMN Cc1c(-c2noc([C@@H]3CCCCN3)n2)cccc1[N+](=O)[O-] ZINC000823270146 623280959 /nfs/dbraw/zinc/28/09/59/623280959.db2.gz NTKBHEBEYJJTRJ-NSHDSACASA-N 0 1 288.307 2.768 20 5 CFBDMN CCCCN(C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172894229 623315944 /nfs/dbraw/zinc/31/59/44/623315944.db2.gz NVGDRXDPHKUHFI-UHFFFAOYSA-N 0 1 289.339 2.543 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](CCCO)C2)ccc1Cl ZINC000825336959 623675834 /nfs/dbraw/zinc/67/58/34/623675834.db2.gz BDVMBCNHZCDVAM-LLVKDONJSA-N 0 1 298.770 2.843 20 5 CFBDMN C[C@@]12COC[C@@H]1CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000827279990 623980204 /nfs/dbraw/zinc/98/02/04/623980204.db2.gz CNSVKIJWEUNTCK-SMDDNHRTSA-N 0 1 296.754 2.717 20 5 CFBDMN O=C(OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000919664906 624595668 /nfs/dbraw/zinc/59/56/68/624595668.db2.gz MRJGDEBUEOFKFJ-UHFFFAOYSA-N 0 1 280.667 2.933 20 5 CFBDMN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC000830546486 624776996 /nfs/dbraw/zinc/77/69/96/624776996.db2.gz ZBYNGLWAQJXWMN-UHFFFAOYSA-N 0 1 299.758 2.917 20 5 CFBDMN CC[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000068449967 624999338 /nfs/dbraw/zinc/99/93/38/624999338.db2.gz GPGCHCCDGXYSEO-SECBINFHSA-N 0 1 299.758 2.917 20 5 CFBDMN CO[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000831527670 625042201 /nfs/dbraw/zinc/04/22/01/625042201.db2.gz GRRHHZPBEXGWEA-IINYFYTJSA-N 0 1 282.315 2.591 20 5 CFBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(CCF)C2)cc1 ZINC000831539881 625048012 /nfs/dbraw/zinc/04/80/12/625048012.db2.gz ZYJUJHXMLCTYQN-LBPRGKRZSA-N 0 1 252.289 2.744 20 5 CFBDMN CCCCCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000839033164 626521325 /nfs/dbraw/zinc/52/13/25/626521325.db2.gz ANQLRNZJAKPJTR-UHFFFAOYSA-N 0 1 292.383 2.692 20 5 CFBDMN CC(C)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839466926 626537456 /nfs/dbraw/zinc/53/74/56/626537456.db2.gz JZWDRIVOPMYYCE-MGPQQGTHSA-N 0 1 276.336 2.555 20 5 CFBDMN C[C@H]1CCCN1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000749321203 626540652 /nfs/dbraw/zinc/54/06/52/626540652.db2.gz GZTQXTKCTNASNT-VIFPVBQESA-N 0 1 285.294 2.769 20 5 CFBDMN CCCCN(C)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839665811 626550367 /nfs/dbraw/zinc/55/03/67/626550367.db2.gz JTSILUGOOQMGLL-ZIAGYGMSSA-N 0 1 291.351 2.527 20 5 CFBDMN CC(C)c1ccc(C[C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839716536 626553119 /nfs/dbraw/zinc/55/31/19/626553119.db2.gz AEKDZIIPFLDMFM-KCPJHIHWSA-N 0 1 290.363 2.522 20 5 CFBDMN CC[C@@](C)(CC(=O)OC)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000760913081 626784018 /nfs/dbraw/zinc/78/40/18/626784018.db2.gz UASKOVOICOEXJG-AWEZNQCLSA-N 0 1 298.314 2.555 20 5 CFBDMN Cc1nn(CN2CC[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289359 626821854 /nfs/dbraw/zinc/82/18/54/626821854.db2.gz GJODUITUYTXYBN-JTQLQIEISA-N 0 1 274.324 2.552 20 5 CFBDMN Cc1nn(CN2C3CCC2CC3)c2ccc([N+](=O)[O-])cc12 ZINC000764884091 627104363 /nfs/dbraw/zinc/10/43/63/627104363.db2.gz UUNYJRLBKMKLNM-UHFFFAOYSA-N 0 1 286.335 2.837 20 5 CFBDMN Cc1nn(CN2CCC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765039191 627115083 /nfs/dbraw/zinc/11/50/83/627115083.db2.gz RBYHKYJAVVGHRX-UHFFFAOYSA-N 0 1 288.351 2.942 20 5 CFBDMN O=[N+]([O-])c1ccccc1C[C@@H](NCc1ccon1)C1CC1 ZINC000766420662 627201910 /nfs/dbraw/zinc/20/19/10/627201910.db2.gz JLCBZHLZFYLOKN-CQSZACIVSA-N 0 1 287.319 2.694 20 5 CFBDMN O=C(OCCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000768185790 627324151 /nfs/dbraw/zinc/32/41/51/627324151.db2.gz CPLHPOASHISRJJ-UHFFFAOYSA-N 0 1 296.229 2.601 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C(=O)OCCN2CCCCC2)c1 ZINC000770390585 627518082 /nfs/dbraw/zinc/51/80/82/627518082.db2.gz VLHAEMQUQPGNSA-UHFFFAOYSA-N 0 1 292.335 2.546 20 5 CFBDMN C[C@@H]1[C@H](C)N(Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1C ZINC000771459419 627605792 /nfs/dbraw/zinc/60/57/92/627605792.db2.gz JYIMWWCIQBNBIR-MNOVXSKESA-N 0 1 297.786 2.773 20 5 CFBDMN C[C@@H](c1ccco1)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579528 628160772 /nfs/dbraw/zinc/16/07/72/628160772.db2.gz MOAWOBQTATZVPG-FZMZJTMJSA-N 0 1 290.319 2.914 20 5 CFBDMN C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(C)c1 ZINC000783636503 628729265 /nfs/dbraw/zinc/72/92/65/628729265.db2.gz MQVXEJFZLPXXQO-VIFPVBQESA-N 0 1 294.742 2.833 20 5 CFBDMN Cc1nn(CN2CC[C@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000784034288 628767051 /nfs/dbraw/zinc/76/70/51/628767051.db2.gz VHVMJQAYVKDLAL-LBPRGKRZSA-N 0 1 280.372 2.734 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@H](O)c2ccco2)c(Cl)c1 ZINC000784496471 628821698 /nfs/dbraw/zinc/82/16/98/628821698.db2.gz VKQREIABOFOZQS-LBPRGKRZSA-N 0 1 296.710 2.664 20 5 CFBDMN O=[N+]([O-])CCN1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000791052452 629283845 /nfs/dbraw/zinc/28/38/45/629283845.db2.gz OFJWCKJQQZQVBS-OLZOCXBDSA-N 0 1 298.408 2.693 20 5 CFBDMN Cc1cc(Cl)nc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000805965996 629366121 /nfs/dbraw/zinc/36/61/21/629366121.db2.gz ATGZPIFVJIVAPP-UHFFFAOYSA-N 0 1 295.682 2.637 20 5 CFBDMN CC1=C(C)CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000794890256 629699828 /nfs/dbraw/zinc/69/98/28/629699828.db2.gz PWGOTHHQBRDEJL-UHFFFAOYSA-N 0 1 286.335 2.944 20 5 CFBDMN Cc1ccoc1CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000795169337 629741660 /nfs/dbraw/zinc/74/16/60/629741660.db2.gz NIDJCGQFBOGVBX-AWEZNQCLSA-N 0 1 290.319 2.662 20 5 CFBDMN CCN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000796315710 629902255 /nfs/dbraw/zinc/90/22/55/629902255.db2.gz KUZZWJMKNIOJIR-LLVKDONJSA-N 0 1 297.786 2.774 20 5 CFBDMN O=C(O[C@@H](C1CC1)C1CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000836042119 630232030 /nfs/dbraw/zinc/23/20/30/630232030.db2.gz IJPALHPFPIIRSY-GFCCVEGCSA-N 0 1 264.281 2.658 20 5 CFBDMN COCC1(C)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801526314 630453606 /nfs/dbraw/zinc/45/36/06/630453606.db2.gz JZCVTULQARIXQI-UHFFFAOYSA-N 0 1 296.342 2.982 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000837331934 631002143 /nfs/dbraw/zinc/00/21/43/631002143.db2.gz CCXJQVZOBJUKKE-UHFFFAOYSA-N 0 1 279.292 2.924 20 5 CFBDMN CSCC(C)(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837705555 631112675 /nfs/dbraw/zinc/11/26/75/631112675.db2.gz VBYGSFFGPDFFSR-UHFFFAOYSA-N 0 1 299.348 2.733 20 5 CFBDMN C[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C(C)(F)F ZINC000837747513 631122638 /nfs/dbraw/zinc/12/26/38/631122638.db2.gz DMQRCVMQZGGZCR-SSDOTTSWSA-N 0 1 289.234 2.635 20 5 CFBDMN Cc1c(Cl)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1Cl ZINC000841080795 631333140 /nfs/dbraw/zinc/33/31/40/631333140.db2.gz VZHZPNSYYKPGQM-GMSGAONNSA-N 0 1 289.118 2.906 20 5 CFBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000841241957 631367085 /nfs/dbraw/zinc/36/70/85/631367085.db2.gz FJSZMNVCNPXNOK-IACUBPJLSA-N 0 1 276.336 2.650 20 5 CFBDMN CCC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842299252 631582498 /nfs/dbraw/zinc/58/24/98/631582498.db2.gz KETDDCOYIXUTKA-JHJVBQTASA-N 0 1 263.293 2.736 20 5 CFBDMN Cc1cc(OC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C(C)C ZINC000840246855 631669353 /nfs/dbraw/zinc/66/93/53/631669353.db2.gz SQOJFHLYTGIMAT-CHWSQXEVSA-N 0 1 263.293 2.689 20 5 CFBDMN CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840380238 633055224 /nfs/dbraw/zinc/05/52/24/633055224.db2.gz UQNMDDJIBSDZIU-VXGBXAGGSA-N 0 1 290.319 2.519 20 5 CFBDMN Cc1nn(CN2CC[C@@H]3C[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853579866 635041619 /nfs/dbraw/zinc/04/16/19/635041619.db2.gz ZYZRLDJGZLZWMU-VXGBXAGGSA-N 0 1 286.335 2.552 20 5 CFBDMN CC[C@H](NC)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000854139294 635227493 /nfs/dbraw/zinc/22/74/93/635227493.db2.gz OMRPCXQOUHYITA-NSHDSACASA-N 0 1 276.296 2.624 20 5 CFBDMN CC[C@H](C)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000862486496 637400690 /nfs/dbraw/zinc/40/06/90/637400690.db2.gz FWIGCQAPJFQROD-ZWKOPEQDSA-N 0 1 262.309 2.804 20 5 CFBDMN C[C@H](CN(C)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000863315376 637624289 /nfs/dbraw/zinc/62/42/89/637624289.db2.gz VDNAMXJMBLWURM-GFCCVEGCSA-N 0 1 280.372 2.897 20 5 CFBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000863532072 637685965 /nfs/dbraw/zinc/68/59/65/637685965.db2.gz DHADNYJDNIYRCR-CYBMUJFWSA-N 0 1 298.726 2.687 20 5 CFBDMN CCN[C@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000863659141 637730231 /nfs/dbraw/zinc/73/02/31/637730231.db2.gz CNMCQGXYWCUJTF-SECBINFHSA-N 0 1 276.296 2.624 20 5 CFBDMN C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccnn1C ZINC000865839625 638605113 /nfs/dbraw/zinc/60/51/13/638605113.db2.gz PJRMBNQISPPJHK-VIFPVBQESA-N 0 1 294.742 2.833 20 5 CFBDMN Cc1[nH]ncc1CN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000865901416 638650229 /nfs/dbraw/zinc/65/02/29/638650229.db2.gz VTMRKQPVXFKDTL-UHFFFAOYSA-N 0 1 260.297 2.571 20 5 CFBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nccs1 ZINC000866236798 638776765 /nfs/dbraw/zinc/77/67/65/638776765.db2.gz CTXQFEZKWUELPF-SECBINFHSA-N 0 1 295.339 2.911 20 5 CFBDMN Cc1nn(CN2CCC(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121055152 638819595 /nfs/dbraw/zinc/81/95/95/638819595.db2.gz NCLJNVRHSFEIEQ-UHFFFAOYSA-N 0 1 288.351 2.942 20 5 CFBDMN C[C@@H](N[C@@H](C)c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000866614031 638854790 /nfs/dbraw/zinc/85/47/90/638854790.db2.gz WVXCJQPYMSHTLM-MNOVXSKESA-N 0 1 274.324 2.740 20 5 CFBDMN CC(C)C[C@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029221 641559048 /nfs/dbraw/zinc/55/90/48/641559048.db2.gz PDPGMCKLDNEHPW-QWRGUYRKSA-N 0 1 284.331 2.792 20 5 CFBDMN C[C@H](NCC1(O)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034729 641565409 /nfs/dbraw/zinc/56/54/09/641565409.db2.gz IPZBQVWOWRUKQV-JTQLQIEISA-N 0 1 282.315 2.690 20 5 CFBDMN C[C@@H](NCC1(O)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034731 641566343 /nfs/dbraw/zinc/56/63/43/641566343.db2.gz IPZBQVWOWRUKQV-SNVBAGLBSA-N 0 1 282.315 2.690 20 5 CFBDMN CCC[C@@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036645 641569922 /nfs/dbraw/zinc/56/99/22/641569922.db2.gz UHIOQNYFTSBJLM-NXEZZACHSA-N 0 1 270.304 2.546 20 5 CFBDMN CC[C@@H](CCO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038670 641571610 /nfs/dbraw/zinc/57/16/10/641571610.db2.gz OQVQIAYHISDNLN-ZJUUUORDSA-N 0 1 270.304 2.546 20 5 CFBDMN CC[C@H](O)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043544 641578082 /nfs/dbraw/zinc/57/80/82/641578082.db2.gz JFHQUHIBPSORQR-UWVGGRQHSA-N 0 1 270.304 2.546 20 5 CFBDMN C[C@@H](NCCC1(C)OCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872061957 641594660 /nfs/dbraw/zinc/59/46/60/641594660.db2.gz HYDKEWHSIFILIA-SNVBAGLBSA-N 0 1 298.314 2.538 20 5 CFBDMN C/C=C/C[C@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063665 641595256 /nfs/dbraw/zinc/59/52/56/641595256.db2.gz RLCKGALTVUKZPI-YIZUVKHSSA-N 0 1 282.315 2.712 20 5 CFBDMN C[C@@H](NC[C@H]1CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872076960 641609034 /nfs/dbraw/zinc/60/90/34/641609034.db2.gz WMWPHXREBNTZJK-GYSYKLTISA-N 0 1 296.342 2.936 20 5 CFBDMN C[C@@H](NC[C@@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085469 641618893 /nfs/dbraw/zinc/61/88/93/641618893.db2.gz NURQBGILBMHWNQ-PWSUYJOCSA-N 0 1 296.342 2.793 20 5 CFBDMN Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000872160864 641682505 /nfs/dbraw/zinc/68/25/05/641682505.db2.gz NSCPHYBMWFPMDP-IINYFYTJSA-N 0 1 292.335 2.588 20 5 CFBDMN CC(C)CC1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000876810846 643020254 /nfs/dbraw/zinc/02/02/54/643020254.db2.gz ZUSFNKSCURFJAK-UHFFFAOYSA-N 0 1 280.372 2.586 20 5 CFBDMN Cc1c(CN2CC3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000877581257 643377851 /nfs/dbraw/zinc/37/78/51/643377851.db2.gz SNKLYKIDRPNNQC-UHFFFAOYSA-N 0 1 276.336 2.516 20 5 CFBDMN C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccnn1C ZINC000877762830 643543400 /nfs/dbraw/zinc/54/34/00/643543400.db2.gz KJCAPKNCZUUBBU-VIFPVBQESA-N 0 1 294.742 2.833 20 5 CFBDMN CCCN(CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878001914 643688782 /nfs/dbraw/zinc/68/87/82/643688782.db2.gz HBSYLKNHVACHHH-UHFFFAOYSA-N 0 1 290.323 2.877 20 5 CFBDMN CO[C@@H]1CC[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319534 644224136 /nfs/dbraw/zinc/22/41/36/644224136.db2.gz WVKOSPILLGKECX-SMDDNHRTSA-N 0 1 264.325 2.594 20 5 CFBDMN COc1ccc(CN2C[C@@H](OC)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000879322526 644228307 /nfs/dbraw/zinc/22/83/07/644228307.db2.gz WLFSFIMLBBNETE-YPMHNXCESA-N 0 1 294.351 2.603 20 5 CFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)CC(C)(C)C1 ZINC000879619659 644349701 /nfs/dbraw/zinc/34/97/01/644349701.db2.gz YYDCCYIHSUMWDW-VXGBXAGGSA-N 0 1 278.352 2.749 20 5 CFBDMN COc1ccc(CN2CCC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000880231979 644591766 /nfs/dbraw/zinc/59/17/66/644591766.db2.gz CKHNWOKTHDNACI-GFCCVEGCSA-N 0 1 282.315 2.785 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H](CF)C2)c1 ZINC000880233990 644594882 /nfs/dbraw/zinc/59/48/82/644594882.db2.gz GJMMMAZNVSKDDU-GFCCVEGCSA-N 0 1 252.289 2.776 20 5 CFBDMN COC[C@H]1C[C@@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000883319228 645737193 /nfs/dbraw/zinc/73/71/93/645737193.db2.gz UCCQUMYNBNPLJP-GARJFASQSA-N 0 1 282.315 2.810 20 5 CFBDMN COC(C)(C)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000135232240 646495076 /nfs/dbraw/zinc/49/50/76/646495076.db2.gz PXYAQWCTDPQUPR-UHFFFAOYSA-N 0 1 272.732 2.763 20 5 CFBDMN COc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1O ZINC000136177329 646746149 /nfs/dbraw/zinc/74/61/49/646746149.db2.gz ZONRHIUXIHNUHD-UHFFFAOYSA-N 0 1 289.243 2.528 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CC[C@@H](c2ccco2)C1 ZINC000886005475 646810122 /nfs/dbraw/zinc/81/01/22/646810122.db2.gz BRYPMIJCJUCQER-LLVKDONJSA-N 0 1 273.292 2.572 20 5 CFBDMN CCSCC[C@@H](C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886073369 646856126 /nfs/dbraw/zinc/85/61/26/646856126.db2.gz UEKZTLZQDLDVSX-LLVKDONJSA-N 0 1 283.397 2.953 20 5 CFBDMN CSC[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886215109 646923714 /nfs/dbraw/zinc/92/37/14/646923714.db2.gz DKSBWVTUDLGKLN-NSHDSACASA-N 0 1 281.381 2.565 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000886268899 646942242 /nfs/dbraw/zinc/94/22/42/646942242.db2.gz FHYBPKPQAQMDSJ-LBPRGKRZSA-N 0 1 283.278 2.611 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@H]2CC3(CCC3)CO2)c(F)c1 ZINC000886288701 646955089 /nfs/dbraw/zinc/95/50/89/646955089.db2.gz GDNBAIDLAPIDFJ-CYBMUJFWSA-N 0 1 294.326 2.783 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886815443 647149237 /nfs/dbraw/zinc/14/92/37/647149237.db2.gz DQKXGEYLQXCJBV-IUODEOHRSA-N 0 1 294.326 2.735 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886815443 647149239 /nfs/dbraw/zinc/14/92/39/647149239.db2.gz DQKXGEYLQXCJBV-IUODEOHRSA-N 0 1 294.326 2.735 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CC[C@@H]([C@H]3CCCO3)C2)cs1 ZINC000886832046 647155982 /nfs/dbraw/zinc/15/59/82/647155982.db2.gz ABCLUBPUNFWRQY-VXGBXAGGSA-N 0 1 282.365 2.657 20 5 CFBDMN CC(C)N1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000924093280 647921675 /nfs/dbraw/zinc/92/16/75/647921675.db2.gz QBDRBAZLLDWFHH-VIFPVBQESA-N 0 1 292.295 2.783 20 5 CFBDMN COC1(OC)CC[C@@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000925490709 648182427 /nfs/dbraw/zinc/18/24/27/648182427.db2.gz CJEBJHMMQDBGGX-FZMZJTMJSA-N 0 1 294.351 2.705 20 5 CFBDMN CC(C)(/C=C\Cl)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000928933286 648967078 /nfs/dbraw/zinc/96/70/78/648967078.db2.gz KIPMGLNGEOJWCY-ARJAWSKDSA-N 0 1 284.699 2.561 20 5 CFBDMN O=[N+]([O-])CCNC1(c2ccc(Br)cc2)CCC1 ZINC000929891854 649145260 /nfs/dbraw/zinc/14/52/60/649145260.db2.gz SZYRKHNPIHILOE-UHFFFAOYSA-N 0 1 299.168 2.695 20 5 CFBDMN O=[N+]([O-])CCNC1(c2cccc(Cl)c2)CCCC1 ZINC000930231760 649210607 /nfs/dbraw/zinc/21/06/07/649210607.db2.gz UEGHAASLBAEPJK-UHFFFAOYSA-N 0 1 268.744 2.976 20 5 CFBDMN COc1ccccc1[C@H](CC(C)C)NCC[N+](=O)[O-] ZINC000930233676 649211219 /nfs/dbraw/zinc/21/12/19/649211219.db2.gz UBIPBZYBLATVHR-ZDUSSCGKSA-N 0 1 266.341 2.649 20 5 CFBDMN CC1(C)[C@@H](c2ccccc2F)CCN1CC[N+](=O)[O-] ZINC000931555990 649453807 /nfs/dbraw/zinc/45/38/07/649453807.db2.gz YXAXFJGDGLRAPR-GFCCVEGCSA-N 0 1 266.316 2.670 20 5 CFBDMN CC(C)(NCC[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000931693286 649473123 /nfs/dbraw/zinc/47/31/23/649473123.db2.gz CABXUTAJWALFQB-UHFFFAOYSA-N 0 1 276.258 2.807 20 5 CFBDMN C[C@]1(C2CC2)COCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000934480083 649793274 /nfs/dbraw/zinc/79/32/74/649793274.db2.gz BFSXDJGLRGQYQM-MRXNPFEDSA-N 0 1 290.363 2.638 20 5 CFBDMN Cc1cc(C)cc(C2CCN(CC[N+](=O)[O-])CC2)c1 ZINC000934798506 649832916 /nfs/dbraw/zinc/83/29/16/649832916.db2.gz AENSBVGXOYOFKA-UHFFFAOYSA-N 0 1 262.353 2.760 20 5 CFBDMN Cc1ccc2nc(N)n(-c3ccc(F)cc3[N+](=O)[O-])c2c1 ZINC001210950567 770404403 /nfs/dbraw/zinc/40/44/03/770404403.db2.gz YIMQMKFAHRQRGW-UHFFFAOYSA-N 0 1 286.266 2.963 20 5 CFBDMN C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1cccnc1F ZINC001225490784 775478168 /nfs/dbraw/zinc/47/81/68/775478168.db2.gz KNLAIYUCHHYAOT-QMMMGPOBSA-N 0 1 278.239 2.975 20 5 CFBDMN C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC001225489041 775479112 /nfs/dbraw/zinc/47/91/12/775479112.db2.gz PAQPFVLTZURTKK-RXMQYKEDSA-N 0 1 251.160 2.630 20 5 CFBDMN CC(C)[N@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795773 775596002 /nfs/dbraw/zinc/59/60/02/775596002.db2.gz HRGQAPRXXWLRDU-LLVKDONJSA-N 0 1 282.315 2.986 20 5 CFBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])C1(Cl)CC1 ZINC000695649599 775909684 /nfs/dbraw/zinc/90/96/84/775909684.db2.gz RWRIDPQMVABJOB-SECBINFHSA-N 0 1 254.717 2.844 20 5 CFBDMN CCC(CC)CN(CC)Cn1nccc1[N+](=O)[O-] ZINC000123904537 776125648 /nfs/dbraw/zinc/12/56/48/776125648.db2.gz WVPIFDIRCCWLKX-UHFFFAOYSA-N 0 1 254.334 2.507 20 5 CFBDMN Cc1c(F)cc([N+](=O)[O-])cc1NCCN1CCSCC1 ZINC001167838912 776591700 /nfs/dbraw/zinc/59/17/00/776591700.db2.gz JDTUJLSHHKJYRL-UHFFFAOYSA-N 0 1 299.371 2.503 20 5 CFBDMN CC[C@@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860298 776636697 /nfs/dbraw/zinc/63/66/97/776636697.db2.gz SQSGAFIROMLCHU-RXMQYKEDSA-N 0 1 280.202 2.892 20 5 CFBDMN CC(C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228862570 776638635 /nfs/dbraw/zinc/63/86/35/776638635.db2.gz OKSSRGUTKAMVSU-UHFFFAOYSA-N 0 1 266.175 2.501 20 5 CFBDMN CC(C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228862570 776638638 /nfs/dbraw/zinc/63/86/38/776638638.db2.gz OKSSRGUTKAMVSU-UHFFFAOYSA-N 0 1 266.175 2.501 20 5 CFBDMN CC[C@@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001229376401 776795385 /nfs/dbraw/zinc/79/53/85/776795385.db2.gz UKGLBUQJTLEMKH-LLVKDONJSA-N 0 1 289.291 2.929 20 5 CFBDMN Cc1ccccc1[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229378715 776795795 /nfs/dbraw/zinc/79/57/95/776795795.db2.gz JKSNKOUOKQHLAP-SECBINFHSA-N 0 1 289.291 2.847 20 5 CFBDMN Cc1nc(OC2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377570 776795843 /nfs/dbraw/zinc/79/58/43/776795843.db2.gz CRDXEHGZVZFCBQ-HTQZYQBOSA-N 0 1 281.312 2.602 20 5 CFBDMN CCC(CC)[C@@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382069 776796617 /nfs/dbraw/zinc/79/66/17/776796617.db2.gz PPKNUTJJONMSSP-SNVBAGLBSA-N 0 1 283.328 2.992 20 5 CFBDMN Cc1nc(O[C@@H]2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382271 776796926 /nfs/dbraw/zinc/79/69/26/776796926.db2.gz QWIMJUYWVMRWEC-KHQFGBGNSA-N 0 1 281.312 2.602 20 5 CFBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCC(F)(F)C2)n1 ZINC001231262750 777179951 /nfs/dbraw/zinc/17/99/51/777179951.db2.gz GXHUHLIPESHHAT-SSDOTTSWSA-N 0 1 274.223 2.570 20 5 CFBDMN CCCCOC[C@@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231261278 777180483 /nfs/dbraw/zinc/18/04/83/777180483.db2.gz ZVXUQGOLQWSITE-SNVBAGLBSA-N 0 1 284.312 2.588 20 5 CFBDMN CCN1CC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225785383 777276867 /nfs/dbraw/zinc/27/68/67/777276867.db2.gz AXJPEKQYLAQYJH-SECBINFHSA-N 0 1 270.716 2.721 20 5 CFBDMN CN1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232219882 777479468 /nfs/dbraw/zinc/47/94/68/777479468.db2.gz VNDXZHAVVAFHKK-UHFFFAOYSA-N 0 1 292.386 2.530 20 5 CFBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000179088363 777933967 /nfs/dbraw/zinc/93/39/67/777933967.db2.gz XWLUWOPVVZBYNB-CYBMUJFWSA-N 0 1 284.331 2.573 20 5 CFBDMN CCN1CCC[C@@H](Oc2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC001233598459 778006827 /nfs/dbraw/zinc/00/68/27/778006827.db2.gz ATHRKPXYANCDQE-SECBINFHSA-N 0 1 286.278 2.736 20 5 CFBDMN Cc1cc(F)c(O[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC001234056527 778155077 /nfs/dbraw/zinc/15/50/77/778155077.db2.gz KGICYWCWGJUWRZ-JTQLQIEISA-N 0 1 268.288 2.515 20 5 CFBDMN Cc1ccc([C@H]2CCC[C@@H]2OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001128322267 780395896 /nfs/dbraw/zinc/39/58/96/780395896.db2.gz VLPPERPDQIYWRH-TUVASFSCSA-N 0 1 289.331 2.840 20 5 CFBDMN C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC(C)(C)C1 ZINC001128604895 780664589 /nfs/dbraw/zinc/66/45/89/780664589.db2.gz BBCOLZRAAARBMC-FDYHWXHSSA-N 0 1 282.384 2.620 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CF)C2)cc1F ZINC000711473971 781439168 /nfs/dbraw/zinc/43/91/68/781439168.db2.gz YNHJMHZDYYSSIE-NSHDSACASA-N 0 1 270.279 2.915 20 5 CFBDMN C[C@@H](NCc1cnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594927220 349512121 /nfs/dbraw/zinc/51/21/21/349512121.db2.gz ZWBYJHWHMZIKIM-LLVKDONJSA-N 0 1 286.335 2.588 20 5 CFBDMN CCO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594970332 349535713 /nfs/dbraw/zinc/53/57/13/349535713.db2.gz YISNJIYBRQEFDW-UMSPYCQHSA-N 0 1 284.743 2.905 20 5 CFBDMN C[C@@H](O)[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595006041 349545305 /nfs/dbraw/zinc/54/53/05/349545305.db2.gz GLYVCFLKKRRBGM-MLGOLLRUSA-N 0 1 286.331 2.807 20 5 CFBDMN CCS[C@H]1CCCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595313093 349600645 /nfs/dbraw/zinc/60/06/45/349600645.db2.gz QDLYOUYEAQORAB-NSHDSACASA-N 0 1 299.396 2.999 20 5 CFBDMN Cc1noc(CN2CC[C@@H](C)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000595410897 349618085 /nfs/dbraw/zinc/61/80/85/349618085.db2.gz UMRIBTBEZGCHRE-SNVBAGLBSA-N 0 1 279.340 2.903 20 5 CFBDMN Cc1noc(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1[N+](=O)[O-] ZINC000595509718 349647170 /nfs/dbraw/zinc/64/71/70/349647170.db2.gz IAQQEIWEPGJTFD-YXMPFFBPSA-N 0 1 289.335 2.535 20 5 CFBDMN C[C@@H](CO)C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595558709 349659025 /nfs/dbraw/zinc/65/90/25/349659025.db2.gz PMQIUBHEIWHMQZ-NSHDSACASA-N 0 1 296.342 2.574 20 5 CFBDMN Cc1noc(CN2CC[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000595550008 349657409 /nfs/dbraw/zinc/65/74/09/349657409.db2.gz GSJJQNHSLGZBHH-LBPRGKRZSA-N 0 1 279.340 2.903 20 5 CFBDMN COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000595567527 349662451 /nfs/dbraw/zinc/66/24/51/349662451.db2.gz RDMXDHSUAMBKGU-STQMWFEESA-N 0 1 276.336 2.978 20 5 CFBDMN COc1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000595567527 349662453 /nfs/dbraw/zinc/66/24/53/349662453.db2.gz RDMXDHSUAMBKGU-STQMWFEESA-N 0 1 276.336 2.978 20 5 CFBDMN COc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000595566557 349662521 /nfs/dbraw/zinc/66/25/21/349662521.db2.gz IDABWOSYPFFQIY-STQMWFEESA-N 0 1 276.336 2.978 20 5 CFBDMN COc1cc(CN2C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000595566557 349662524 /nfs/dbraw/zinc/66/25/24/349662524.db2.gz IDABWOSYPFFQIY-STQMWFEESA-N 0 1 276.336 2.978 20 5 CFBDMN C[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1CCO ZINC000595689172 349701031 /nfs/dbraw/zinc/70/10/31/349701031.db2.gz 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/nfs/dbraw/zinc/20/30/06/383203006.db2.gz AUJMCVNUWPYRMR-UHFFFAOYSA-N 0 1 282.300 2.707 20 5 CFBDMN COc1ccc(CN[C@@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000339586945 383254266 /nfs/dbraw/zinc/25/42/66/383254266.db2.gz NZVLVLTWZMWPAB-WDEREUQCSA-N 0 1 268.288 2.584 20 5 CFBDMN Cn1cc(CN2CC3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449370525 383242621 /nfs/dbraw/zinc/24/26/21/383242621.db2.gz KVTSPJLXAWUBMX-UHFFFAOYSA-N 0 1 298.346 2.591 20 5 CFBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])nc2)n[nH]1 ZINC000450478756 383427951 /nfs/dbraw/zinc/42/79/51/383427951.db2.gz IWLFITHFWFBIBD-BDAKNGLRSA-N 0 1 290.327 2.795 20 5 CFBDMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000568772163 383436187 /nfs/dbraw/zinc/43/61/87/383436187.db2.gz OAOQHHMNHWHHLP-CYBMUJFWSA-N 0 1 280.324 2.526 20 5 CFBDMN CC(C)[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCN1C ZINC000487046741 383476910 /nfs/dbraw/zinc/47/69/10/383476910.db2.gz NGSPYABNZPGCOR-CQSZACIVSA-N 0 1 281.331 2.510 20 5 CFBDMN O=C(Nc1cccc(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427926182 383418855 /nfs/dbraw/zinc/41/88/55/383418855.db2.gz QFHQUQGRGSIMGU-UHFFFAOYSA-N 0 1 276.223 2.692 20 5 CFBDMN CC[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1ccc(C)cc1 ZINC000341038773 383539582 /nfs/dbraw/zinc/53/95/82/383539582.db2.gz MUHGZPPCGLBCJX-CYBMUJFWSA-N 0 1 288.351 2.878 20 5 CFBDMN C[C@H]1CN(C2CC2)C[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000440598015 384110508 /nfs/dbraw/zinc/11/05/08/384110508.db2.gz MTGSIUXXVSQRMI-ISVAXAHUSA-N 0 1 297.305 2.768 20 5 CFBDMN CCC[C@@]1(C)CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000266305287 384142546 /nfs/dbraw/zinc/14/25/46/384142546.db2.gz BQCLTKMOUFASHT-AWEZNQCLSA-N 0 1 294.355 2.669 20 5 CFBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000271615615 285135976 /nfs/dbraw/zinc/13/59/76/285135976.db2.gz KWMUZOAQILBORH-LBPRGKRZSA-N 0 1 258.281 2.807 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000269497884 384767576 /nfs/dbraw/zinc/76/75/76/384767576.db2.gz MQHSXSSBMLOUHT-ZJUUUORDSA-N 0 1 294.355 2.702 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411949006 285153372 /nfs/dbraw/zinc/15/33/72/285153372.db2.gz QEJOXYJAEJFJAN-DLBZAZTESA-N 0 1 298.342 2.903 20 5 CFBDMN Cc1cc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000282908106 385409180 /nfs/dbraw/zinc/40/91/80/385409180.db2.gz XFUNHVMRIBEBBM-LLVKDONJSA-N 0 1 275.308 2.785 20 5 CFBDMN CC(C)(C)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000272365744 385519832 /nfs/dbraw/zinc/51/98/32/385519832.db2.gz SWRYJTGPQACFLO-UKRRQHHQSA-N 0 1 292.379 2.824 20 5 CFBDMN O=[N+]([O-])c1cnc2c(c1)CN(CC1=CCCCC1)CC2 ZINC000450694339 285184006 /nfs/dbraw/zinc/18/40/06/285184006.db2.gz OEMUIGYVYFMBNB-UHFFFAOYSA-N 0 1 273.336 2.848 20 5 CFBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000272587550 385569855 /nfs/dbraw/zinc/56/98/55/385569855.db2.gz VBOWJTWBCLXBHE-VIFPVBQESA-N 0 1 278.308 2.609 20 5 CFBDMN CC[C@H]1CCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272714704 385594515 /nfs/dbraw/zinc/59/45/15/385594515.db2.gz YMSNXBKJNAPKIP-ZANVPECISA-N 0 1 278.308 2.609 20 5 CFBDMN CO[C@@H](C)CN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000286594868 385659815 /nfs/dbraw/zinc/65/98/15/385659815.db2.gz SAJINMKYKKMACK-NSHDSACASA-N 0 1 289.335 2.923 20 5 CFBDMN CCOC1CC(N(C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000287116829 385783783 /nfs/dbraw/zinc/78/37/83/385783783.db2.gz YVFAOKVSQQBILE-UHFFFAOYSA-N 0 1 294.351 2.603 20 5 CFBDMN COCC1=CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000275031839 385916046 /nfs/dbraw/zinc/91/60/46/385916046.db2.gz WIPJTDOWFJSSSG-LBPRGKRZSA-N 0 1 276.336 2.934 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCc2cc[nH]c(=O)c2C1 ZINC000276892586 386072405 /nfs/dbraw/zinc/07/24/05/386072405.db2.gz GOVCYQUIKTUPPR-NSHDSACASA-N 0 1 299.330 2.815 20 5 CFBDMN CCOc1cc(CN(C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000276976063 386098030 /nfs/dbraw/zinc/09/80/30/386098030.db2.gz XQBDHKQPQXVCKV-CYBMUJFWSA-N 0 1 294.351 2.604 20 5 CFBDMN Cc1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)on1 ZINC000282535378 195638261 /nfs/dbraw/zinc/63/82/61/195638261.db2.gz VLDRLULIEKZAEJ-UHFFFAOYSA-N 0 1 275.308 2.566 20 5 CFBDMN O=[N+]([O-])c1cccc(N2CCN(CCCCCF)CC2)c1 ZINC000341833575 130064417 /nfs/dbraw/zinc/06/44/17/130064417.db2.gz FYPVPQGWLDYRFK-UHFFFAOYSA-N 0 1 295.358 2.857 20 5 CFBDMN Cc1cccc([C@H](C)NCc2c([N+](=O)[O-])ncn2C)c1C ZINC000341877747 130104575 /nfs/dbraw/zinc/10/45/75/130104575.db2.gz UTLHTZPSLHBMSW-LBPRGKRZSA-N 0 1 288.351 2.796 20 5 CFBDMN COc1ccc(CN2CCS[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000192173309 130386335 /nfs/dbraw/zinc/38/63/35/130386335.db2.gz POEJUHSIIDSHEO-NSHDSACASA-N 0 1 296.392 2.931 20 5 CFBDMN Cc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356352467 130387831 /nfs/dbraw/zinc/38/78/31/130387831.db2.gz DXNAGEYFCMZJHV-UHFFFAOYSA-N 0 1 272.260 2.861 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCS[C@H](C)CC1 ZINC000192192497 130392075 /nfs/dbraw/zinc/39/20/75/130392075.db2.gz ZEYPPZYNOUSDCS-LLVKDONJSA-N 0 1 296.392 2.931 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H]2C(F)F)c(Cl)c1 ZINC000342227721 130399309 /nfs/dbraw/zinc/39/93/09/130399309.db2.gz KVHQGODXOHGIFD-WPRPVWTQSA-N 0 1 276.670 2.991 20 5 CFBDMN Cc1ccc([C@@H](O)CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000237784255 131056829 /nfs/dbraw/zinc/05/68/29/131056829.db2.gz DBRBYNDKONDDFE-ZDUSSCGKSA-N 0 1 292.360 2.788 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)[C@H]1C ZINC000248347921 131114327 /nfs/dbraw/zinc/11/43/27/131114327.db2.gz NYXSHNAERDONJO-CMPLNLGQSA-N 0 1 291.351 2.572 20 5 CFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H]1C ZINC000248344575 131115167 /nfs/dbraw/zinc/11/51/67/131115167.db2.gz LTUUSSNXXIEVOH-GRYCIOLGSA-N 0 1 291.351 2.652 20 5 CFBDMN CC[C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000269428988 132170039 /nfs/dbraw/zinc/17/00/39/132170039.db2.gz ZFYOTKSDVAEDNS-SNVBAGLBSA-N 0 1 294.355 2.704 20 5 CFBDMN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CN(C)Cc2ccccc21 ZINC000378269788 393544590 /nfs/dbraw/zinc/54/45/90/393544590.db2.gz ISVKDKSVYGJIIG-OAHLLOKOSA-N 0 1 298.346 2.897 20 5 CFBDMN C[C@H]1CC[C@H](C)N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331496940 393556964 /nfs/dbraw/zinc/55/69/64/393556964.db2.gz NKGPSCWOOPMYOP-UWVGGRQHSA-N 0 1 274.324 2.844 20 5 CFBDMN CC(C)c1ccc(CN2C[C@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471805143 393917189 /nfs/dbraw/zinc/91/71/89/393917189.db2.gz PQSNGQQNHDWWFV-DGCLKSJQSA-N 0 1 278.352 2.673 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CC[C@@H]1CCCO1 ZINC000430236563 393971274 /nfs/dbraw/zinc/97/12/74/393971274.db2.gz NTHHYNJMUQCSAW-AWEZNQCLSA-N 0 1 294.351 2.604 20 5 CFBDMN C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000358357650 394105111 /nfs/dbraw/zinc/10/51/11/394105111.db2.gz QYTXWQSXCSQYEE-WPRPVWTQSA-N 0 1 292.257 2.559 20 5 CFBDMN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000439490188 394120539 /nfs/dbraw/zinc/12/05/39/394120539.db2.gz GPBRCDBGUPVNGA-AWEZNQCLSA-N 0 1 294.351 2.604 20 5 CFBDMN CO[C@H](C)CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000285821783 394151297 /nfs/dbraw/zinc/15/12/97/394151297.db2.gz VOJSTYFZSSFFPU-MNOVXSKESA-N 0 1 252.314 2.623 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](CCO)CC1 ZINC000421005901 394154429 /nfs/dbraw/zinc/15/44/29/394154429.db2.gz AQQUEKCDPFOXBD-GFCCVEGCSA-N 0 1 296.342 2.718 20 5 CFBDMN Cc1cc(N[C@H]2CN(C)Cc3ccccc32)ncc1[N+](=O)[O-] ZINC000363449712 394195839 /nfs/dbraw/zinc/19/58/39/394195839.db2.gz MPTUOWMUZRJZCZ-AWEZNQCLSA-N 0 1 298.346 2.897 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN1C[C@@H]2CCC[C@H]2C1 ZINC000153210739 394279694 /nfs/dbraw/zinc/27/96/94/394279694.db2.gz IHVGIUKBDRZISZ-QWRGUYRKSA-N 0 1 264.300 2.966 20 5 CFBDMN C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000177892189 394385222 /nfs/dbraw/zinc/38/52/22/394385222.db2.gz RWWISAYIWSOJIN-NXEZZACHSA-N 0 1 252.289 2.964 20 5 CFBDMN C[C@@H](NCc1c[nH]c2nccnc12)c1ccccc1[N+](=O)[O-] ZINC000356442036 155267743 /nfs/dbraw/zinc/26/77/43/155267743.db2.gz SZXHRJGKYNDSKQ-SNVBAGLBSA-N 0 1 297.318 2.669 20 5 CFBDMN CC[C@@H]1CCC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356593041 155311846 /nfs/dbraw/zinc/31/18/46/155311846.db2.gz KJCUNHGTUKZPLT-PWSUYJOCSA-N 0 1 292.335 2.999 20 5 CFBDMN CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356625633 155319618 /nfs/dbraw/zinc/31/96/18/155319618.db2.gz ZSUMQCPSRDQKNQ-NXEZZACHSA-N 0 1 280.324 2.855 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(NCCc2ccc3cn[nH]c3c2)n1 ZINC000343053908 154098368 /nfs/dbraw/zinc/09/83/68/154098368.db2.gz TVOQHDXYVOLLQO-UHFFFAOYSA-N 0 1 297.318 2.829 20 5 CFBDMN CCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000343266111 154160636 /nfs/dbraw/zinc/16/06/36/154160636.db2.gz QRNMCFWKLCCATA-SNVBAGLBSA-N 0 1 283.759 2.779 20 5 CFBDMN CCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343266110 154161086 /nfs/dbraw/zinc/16/10/86/154161086.db2.gz QRNMCFWKLCCATA-JTQLQIEISA-N 0 1 283.759 2.779 20 5 CFBDMN Cc1c(CN2CCOCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000367655984 156373060 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ZINC000285393900 196271054 /nfs/dbraw/zinc/27/10/54/196271054.db2.gz SQDGRPGOYKSGNS-UHFFFAOYSA-N 0 1 271.320 2.664 20 5 CFBDMN O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000038027847 174014787 /nfs/dbraw/zinc/01/47/87/174014787.db2.gz VDURUWZGRCJYRP-LBPRGKRZSA-N 0 1 296.298 2.563 20 5 CFBDMN Cc1nc([C@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000286413820 196595130 /nfs/dbraw/zinc/59/51/30/196595130.db2.gz OCGGAHNNZCHWLC-QMMMGPOBSA-N 0 1 261.285 2.503 20 5 CFBDMN C[C@H]1CC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000398045097 270321131 /nfs/dbraw/zinc/32/11/31/270321131.db2.gz ARALJEQOQITWPC-JOYOIKCWSA-N 0 1 284.743 2.905 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccccc1CO ZINC000514679694 270349231 /nfs/dbraw/zinc/34/92/31/270349231.db2.gz PUZUTADJBAKHCD-MRXNPFEDSA-N 0 1 298.342 2.864 20 5 CFBDMN C[C@@H]1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444645773 274384536 /nfs/dbraw/zinc/38/45/36/274384536.db2.gz XZOUIKOFJYQANA-NXEZZACHSA-N 0 1 274.324 2.701 20 5 CFBDMN O=[N+]([O-])c1cc(F)c(N2CC[C@H](N3CCCC3)C2)c(F)c1 ZINC000301772161 275033775 /nfs/dbraw/zinc/03/37/75/275033775.db2.gz GBXCXUJQUMSZTE-JTQLQIEISA-N 0 1 297.305 2.548 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000269353314 276041367 /nfs/dbraw/zinc/04/13/67/276041367.db2.gz SMLYQPHKPKFVQA-NXEZZACHSA-N 0 1 294.355 2.559 20 5 CFBDMN C[C@@]1(F)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347397572 279165754 /nfs/dbraw/zinc/16/57/54/279165754.db2.gz WLCYYTAYZPZMBX-CYBMUJFWSA-N 0 1 252.289 2.571 20 5 CFBDMN CC[C@H]1CC[C@H](C)N1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000271859380 288245665 /nfs/dbraw/zinc/24/56/65/288245665.db2.gz XKKIXYMHEWJTFO-UWVGGRQHSA-N 0 1 294.355 2.844 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C2CC2)CC1 ZINC000182697163 281019529 /nfs/dbraw/zinc/01/95/29/281019529.db2.gz FCPCOZOHKMCJIR-CYBMUJFWSA-N 0 1 289.379 2.744 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1cnn(C)c1 ZINC000546705136 281718083 /nfs/dbraw/zinc/71/80/83/281718083.db2.gz LWFKYHOFTWGREH-UHFFFAOYSA-N 0 1 288.351 2.662 20 5 CFBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)C(C)C ZINC000565196719 290280396 /nfs/dbraw/zinc/28/03/96/290280396.db2.gz QDTSFMLWLSFIMG-SNVBAGLBSA-N 0 1 296.371 2.948 20 5 CFBDMN C[C@@H]1CC[C@@H](C)N1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351145682 324327081 /nfs/dbraw/zinc/32/70/81/324327081.db2.gz KBIKWNDHDKHIIA-RKDXNWHRSA-N 0 1 292.295 2.611 20 5 CFBDMN CCOC[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081537259 520181486 /nfs/dbraw/zinc/18/14/86/520181486.db2.gz MUDXCOACYIEVFK-NSHDSACASA-N 0 1 282.315 2.592 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN(CC)C[C@@H](C)OC ZINC000361018603 521281345 /nfs/dbraw/zinc/28/13/45/521281345.db2.gz SXTJSZXMCSBUOR-GFCCVEGCSA-N 0 1 296.367 2.850 20 5 CFBDMN CCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000049480394 521512803 /nfs/dbraw/zinc/51/28/03/521512803.db2.gz JHUQTDTYSNRLPH-NSHDSACASA-N 0 1 279.340 2.572 20 5 CFBDMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444748 522724148 /nfs/dbraw/zinc/72/41/48/522724148.db2.gz JFZHLRGIBZSPHK-UHFFFAOYSA-N 0 1 286.715 2.545 20 5 CFBDMN CC[C@@H](N[C@H](C)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000228942009 522929693 /nfs/dbraw/zinc/92/96/93/522929693.db2.gz RGPBLBVJEDNIFD-BXUZGUMPSA-N 0 1 293.367 2.549 20 5 CFBDMN CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCS1 ZINC000076073144 523444895 /nfs/dbraw/zinc/44/48/95/523444895.db2.gz FYGHXJJGGFLGMV-GFCCVEGCSA-N 0 1 296.392 2.801 20 5 CFBDMN Cc1c(CNCc2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000235817493 525724990 /nfs/dbraw/zinc/72/49/90/525724990.db2.gz UDXVAFPHYODGQH-UHFFFAOYSA-N 0 1 275.283 2.727 20 5 CFBDMN C[C@@]12CC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000339208413 525911929 /nfs/dbraw/zinc/91/19/29/525911929.db2.gz XPKIKZCXYMVTCC-QWHCGFSZSA-N 0 1 298.289 2.778 20 5 CFBDMN C[C@@]12CC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000339208413 525911940 /nfs/dbraw/zinc/91/19/40/525911940.db2.gz XPKIKZCXYMVTCC-QWHCGFSZSA-N 0 1 298.289 2.778 20 5 CFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1ccccc1Cl ZINC000363399445 526508858 /nfs/dbraw/zinc/50/88/58/526508858.db2.gz YTBVHIWHNPOPCE-KGYLQXTDSA-N 0 1 294.738 2.669 20 5 CFBDMN Cc1n[nH]cc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080347182 526552646 /nfs/dbraw/zinc/55/26/46/526552646.db2.gz AXKOCUANAVHUME-UHFFFAOYSA-N 0 1 274.324 2.651 20 5 CFBDMN COC[C@H]1CCCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449760360 536506422 /nfs/dbraw/zinc/50/64/22/536506422.db2.gz NYISFNZFYCWLKB-CQSZACIVSA-N 0 1 278.352 2.904 20 5 CFBDMN O=[N+]([O-])c1cccc(CNCc2cnn3ccccc23)c1 ZINC000071373504 527386370 /nfs/dbraw/zinc/38/63/70/527386370.db2.gz ZJHHYPFQVRDAGI-UHFFFAOYSA-N 0 1 282.303 2.532 20 5 CFBDMN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccco1 ZINC000237949520 527397938 /nfs/dbraw/zinc/39/79/38/527397938.db2.gz ULXWNXMHELXOMX-ZZXKWVIFSA-N 0 1 258.277 2.991 20 5 CFBDMN CC(C)c1nc([C@H](C)Nc2ncc([N+](=O)[O-])cc2F)n[nH]1 ZINC000413214177 528314744 /nfs/dbraw/zinc/31/47/44/528314744.db2.gz LEIKXKIVYZRPOH-ZETCQYMHSA-N 0 1 294.290 2.544 20 5 CFBDMN CC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000174369713 529297501 /nfs/dbraw/zinc/29/75/01/529297501.db2.gz COOGHHIXDXAUAY-LBPRGKRZSA-N 0 1 266.366 2.922 20 5 CFBDMN CCCCn1ncc(Nc2ncc([N+](=O)[O-])c(C)n2)c1C ZINC000450397625 535180647 /nfs/dbraw/zinc/18/06/47/535180647.db2.gz ZHCDHSDUSWHBBY-UHFFFAOYSA-N 0 1 290.327 2.742 20 5 CFBDMN CCCN(CC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742148365 574316636 /nfs/dbraw/zinc/31/66/36/574316636.db2.gz REFDBCHGCUYHJH-UHFFFAOYSA-N 0 1 289.339 2.543 20 5 CFBDMN O=[N+]([O-])c1ccccc1CNC[C@@H]1CC1(Cl)Cl ZINC000743652793 574370241 /nfs/dbraw/zinc/37/02/41/574370241.db2.gz DZDZDVKDIWNMFG-VIFPVBQESA-N 0 1 275.135 2.878 20 5 CFBDMN CSCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000070185001 618208050 /nfs/dbraw/zinc/20/80/50/618208050.db2.gz JMJYEOMUKFTCRJ-UHFFFAOYSA-N 0 1 260.746 2.701 20 5 CFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000828028897 601931876 /nfs/dbraw/zinc/93/18/76/601931876.db2.gz HHFCGVDEYKKHNL-CYBMUJFWSA-N 0 1 298.726 2.545 20 5 CFBDMN C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC000830825318 604789049 /nfs/dbraw/zinc/78/90/49/604789049.db2.gz PVNGADSNLCQRAG-UHFFFAOYSA-N 0 1 286.715 2.543 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCSC[C@H]1C ZINC000934297531 617990708 /nfs/dbraw/zinc/99/07/08/617990708.db2.gz CCLXETOPTJITDB-LLVKDONJSA-N 0 1 296.392 2.931 20 5 CFBDMN CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000934127797 617913020 /nfs/dbraw/zinc/91/30/20/617913020.db2.gz YZCKXTUPSVAQRZ-KGLIPLIRSA-N 0 1 264.325 2.512 20 5 CFBDMN CO[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000050370811 618116867 /nfs/dbraw/zinc/11/68/67/618116867.db2.gz RTIPWWWPMQCDLS-QWHCGFSZSA-N 0 1 284.743 2.905 20 5 CFBDMN O=[N+]([O-])c1ccc(-c2cc(CN3CCCCC3)on2)o1 ZINC000901398726 620805813 /nfs/dbraw/zinc/80/58/13/620805813.db2.gz HLENGQLBQUFXJV-UHFFFAOYSA-N 0 1 277.280 2.829 20 5 CFBDMN COc1c(O)ccc(CN2C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000895235615 618491256 /nfs/dbraw/zinc/49/12/56/618491256.db2.gz HNFPWVHHDMGULG-JQWIXIFHSA-N 0 1 292.335 2.683 20 5 CFBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633519 619041620 /nfs/dbraw/zinc/04/16/20/619041620.db2.gz MMEFNNCNDAZRIB-JTQLQIEISA-N 0 1 286.715 2.543 20 5 CFBDMN Cc1nn(CN2CC[C@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000072916924 619083411 /nfs/dbraw/zinc/08/34/11/619083411.db2.gz KUVYGCSLOXLVOM-CYBMUJFWSA-N 0 1 280.372 2.734 20 5 CFBDMN O=C(OCc1csc(C2CCCC2)n1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671265 619304107 /nfs/dbraw/zinc/30/41/07/619304107.db2.gz SPDNOXCBQKGXBV-GHMZBOCLSA-N 0 1 296.348 2.509 20 5 CFBDMN C[C@@H](NCc1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000168895357 620139730 /nfs/dbraw/zinc/13/97/30/620139730.db2.gz UAVOIRQJMHKHSI-SECBINFHSA-N 0 1 263.322 2.902 20 5 CFBDMN Cc1cc(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000897464889 620177189 /nfs/dbraw/zinc/17/71/89/620177189.db2.gz QABCHQVYOMIPNX-SNVBAGLBSA-N 0 1 275.308 2.785 20 5 CFBDMN CN(CCC1CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179251132 620217311 /nfs/dbraw/zinc/21/73/11/620217311.db2.gz IXDVIIAZTSPLQW-UHFFFAOYSA-N 0 1 252.289 2.966 20 5 CFBDMN Cc1nc(-c2ccc(CNCC[N+](=O)[O-])s2)cs1 ZINC000899867355 620607396 /nfs/dbraw/zinc/60/73/96/620607396.db2.gz PSQICGYBFABVKU-UHFFFAOYSA-N 0 1 283.378 2.546 20 5 CFBDMN Cc1ccc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000902039542 620961868 /nfs/dbraw/zinc/96/18/68/620961868.db2.gz YPMLJCIVHAUGQY-ZDUSSCGKSA-N 0 1 292.335 2.732 20 5 CFBDMN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903259958 621302315 /nfs/dbraw/zinc/30/23/15/621302315.db2.gz JEQJXNBOLYDNBG-UAKXVISKSA-N 0 1 294.326 2.952 20 5 CFBDMN C[C@H](N[C@H]1COC[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903439426 621375875 /nfs/dbraw/zinc/37/58/75/621375875.db2.gz DYMPHDLYCDFOJK-GAFUQQFSSA-N 0 1 294.326 2.810 20 5 CFBDMN CCc1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000904343380 621579041 /nfs/dbraw/zinc/57/90/41/621579041.db2.gz LQORHGOVXMGSOV-UHFFFAOYSA-N 0 1 285.263 2.597 20 5 CFBDMN O=[N+]([O-])CCN[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000905113076 621702157 /nfs/dbraw/zinc/70/21/57/621702157.db2.gz CZDDMEUXPFDUPE-SNVBAGLBSA-N 0 1 275.135 2.847 20 5 CFBDMN CC1(C)C[C@@H](c2ccccc2)N(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000819749784 622549891 /nfs/dbraw/zinc/54/98/91/622549891.db2.gz RWIYTIPVMUTANF-MCIONIFRSA-N 0 1 288.347 2.651 20 5 CFBDMN C[C@@H]1OCC[C@@]1(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000230154912 623256377 /nfs/dbraw/zinc/25/63/77/623256377.db2.gz CFKYAVYNMREZPR-TVQRCGJNSA-N 0 1 284.743 2.905 20 5 CFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCn2ccnc21 ZINC000824527982 623518597 /nfs/dbraw/zinc/51/85/97/623518597.db2.gz ZABFTIPQKNBTTC-RZXPCSSPSA-N 0 1 298.346 2.929 20 5 CFBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCn2ccnc21 ZINC000824527980 623518971 /nfs/dbraw/zinc/51/89/71/623518971.db2.gz ZABFTIPQKNBTTC-HMVFGEFZSA-N 0 1 298.346 2.929 20 5 CFBDMN Cc1nn(CN(C)[C@@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000914568401 623900340 /nfs/dbraw/zinc/90/03/40/623900340.db2.gz HHDAEMYZLDSEDM-NSHDSACASA-N 0 1 268.361 2.732 20 5 CFBDMN CC(=O)OC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153282949 623913493 /nfs/dbraw/zinc/91/34/93/623913493.db2.gz UGMZOMGSJXHZLV-NSHDSACASA-N 0 1 292.335 2.683 20 5 CFBDMN C[C@@H]1CCN(Cn2nccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000917432303 624343308 /nfs/dbraw/zinc/34/33/08/624343308.db2.gz CDQHHAKPTHGRBR-UPJWGTAASA-N 0 1 278.356 2.649 20 5 CFBDMN C[C@H](COc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920128752 624686320 /nfs/dbraw/zinc/68/63/20/624686320.db2.gz TWCDJANNLTWALE-SNVBAGLBSA-N 0 1 290.275 2.547 20 5 CFBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cc1 ZINC000920154860 624687968 /nfs/dbraw/zinc/68/79/68/624687968.db2.gz SOGSVHBMDTVSKH-QMMMGPOBSA-N 0 1 278.239 2.980 20 5 CFBDMN Cc1ccncc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834887534 625909808 /nfs/dbraw/zinc/90/98/08/625909808.db2.gz SKFQLHVNZHHFAF-NSHDSACASA-N 0 1 286.335 2.731 20 5 CFBDMN O=[N+]([O-])c1ccc(CNCc2cnn(C3CCC3)c2)cc1 ZINC000921562022 625989273 /nfs/dbraw/zinc/98/92/73/625989273.db2.gz GKVGSHPVPWZIGB-UHFFFAOYSA-N 0 1 286.335 2.806 20 5 CFBDMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839502133 626538233 /nfs/dbraw/zinc/53/82/33/626538233.db2.gz JDJIEWRQIZNFQT-MVWJERBFSA-N 0 1 288.303 2.617 20 5 CFBDMN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839509967 626538381 /nfs/dbraw/zinc/53/83/81/626538381.db2.gz VJKNAEYJQYFNBX-XXILOJSOSA-N 0 1 282.727 2.525 20 5 CFBDMN CCCn1ccc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc21 ZINC000839690278 626551152 /nfs/dbraw/zinc/55/11/52/626551152.db2.gz WIRLCWCDNKEVAT-TZMCWYRMSA-N 0 1 287.319 2.655 20 5 CFBDMN CCN(Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764878215 627104028 /nfs/dbraw/zinc/10/40/28/627104028.db2.gz RVEYIZHKAINZHU-UHFFFAOYSA-N 0 1 274.324 2.695 20 5 CFBDMN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000765636523 627152165 /nfs/dbraw/zinc/15/21/65/627152165.db2.gz QJYNRDNLKWNCPN-MNOVXSKESA-N 0 1 281.331 2.653 20 5 CFBDMN CCc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000766004931 627170278 /nfs/dbraw/zinc/17/02/78/627170278.db2.gz UHVRWSQKRALCBN-JTQLQIEISA-N 0 1 274.324 2.731 20 5 CFBDMN CCc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000766004931 627170281 /nfs/dbraw/zinc/17/02/81/627170281.db2.gz UHVRWSQKRALCBN-JTQLQIEISA-N 0 1 274.324 2.731 20 5 CFBDMN Cc1nc(Cl)ccc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000772705463 627737154 /nfs/dbraw/zinc/73/71/54/627737154.db2.gz LKLGEICSSRJMMM-UHFFFAOYSA-N 0 1 295.682 2.637 20 5 CFBDMN O=[N+]([O-])CCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000791051660 629284116 /nfs/dbraw/zinc/28/41/16/629284116.db2.gz HTPONUBMTCULBL-KRWDZBQOSA-N 0 1 282.343 2.911 20 5 CFBDMN O=[N+]([O-])CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000791051662 629284267 /nfs/dbraw/zinc/28/42/67/629284267.db2.gz HTPONUBMTCULBL-QGZVFWFLSA-N 0 1 282.343 2.911 20 5 CFBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCCCC[C@@H]1CCO ZINC000792928487 629467796 /nfs/dbraw/zinc/46/77/96/629467796.db2.gz UGWPPKJGDMIYNQ-CQSZACIVSA-N 0 1 296.342 2.861 20 5 CFBDMN Cc1cc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)n(C)n1 ZINC000793558318 629571610 /nfs/dbraw/zinc/57/16/10/629571610.db2.gz ROIFMWFQMGDYCU-LBPRGKRZSA-N 0 1 288.351 2.796 20 5 CFBDMN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000110717510 634786309 /nfs/dbraw/zinc/78/63/09/634786309.db2.gz LGQPHLSLYMAWGT-NSHDSACASA-N 0 1 297.786 2.774 20 5 CFBDMN CC(C)C[C@H](C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000798875833 630251537 /nfs/dbraw/zinc/25/15/37/630251537.db2.gz ZLDDKYFTKMVLSH-VIFPVBQESA-N 0 1 254.286 2.762 20 5 CFBDMN Cc1cc(-c2nc([C@H](N)C(C)C)no2)ccc1[N+](=O)[O-] ZINC000041123749 649989153 /nfs/dbraw/zinc/98/91/53/649989153.db2.gz KXWRSESFHNKFLV-LLVKDONJSA-N 0 1 276.296 2.609 20 5 CFBDMN CCC[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837438167 631029837 /nfs/dbraw/zinc/02/98/37/631029837.db2.gz KVVLYLOAZKUQBC-SECBINFHSA-N 0 1 267.281 2.780 20 5 CFBDMN C/C(=C\C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000837453917 631034665 /nfs/dbraw/zinc/03/46/65/631034665.db2.gz JPARLQLMBYAJEA-RMKNXTFCSA-N 0 1 277.276 2.700 20 5 CFBDMN O=C(CCC1CC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837524812 631055300 /nfs/dbraw/zinc/05/53/00/631055300.db2.gz JFBWFPUBMSPEET-UHFFFAOYSA-N 0 1 265.265 2.534 20 5 CFBDMN CCCC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837576027 631073375 /nfs/dbraw/zinc/07/33/75/631073375.db2.gz PUCAGHJMJABTCZ-UHFFFAOYSA-N 0 1 279.292 2.924 20 5 CFBDMN CCC[C@@H]1C[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837738189 631119710 /nfs/dbraw/zinc/11/97/10/631119710.db2.gz HBDMNMKTUBEJPN-BXKDBHETSA-N 0 1 279.292 2.780 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000809692780 631265200 /nfs/dbraw/zinc/26/52/00/631265200.db2.gz GUZZHXHQEFJAAM-LLVKDONJSA-N 0 1 284.743 2.859 20 5 CFBDMN CC(C)[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000841166257 631351501 /nfs/dbraw/zinc/35/15/01/631351501.db2.gz MUPJPPBIRWPOOO-WQAKAFBOSA-N 0 1 299.273 2.870 20 5 CFBDMN CSc1ccccc1[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841220221 631361542 /nfs/dbraw/zinc/36/15/42/631361542.db2.gz KRROJTOHSZUXHD-FBIMIBRVSA-N 0 1 281.333 2.678 20 5 CFBDMN CC(C)[C@H](N)c1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000843146953 631859919 /nfs/dbraw/zinc/85/99/19/631859919.db2.gz VPNCJCSMHDMMOD-UJZCVKTISA-N 0 1 288.307 2.804 20 5 CFBDMN CC[C@@H]1CN(C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000816660594 632506304 /nfs/dbraw/zinc/50/63/04/632506304.db2.gz JPOFEVVVBXAJSE-GFCCVEGCSA-N 0 1 297.786 2.774 20 5 CFBDMN O=C(OCC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000845752892 632551957 /nfs/dbraw/zinc/55/19/57/632551957.db2.gz KCDRCZSIXLJXBZ-ZCFIWIBFSA-N 0 1 293.106 2.664 20 5 CFBDMN C[C@@H]1C[C@H](CO)CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817412870 632624796 /nfs/dbraw/zinc/62/47/96/632624796.db2.gz PWRVJLLBINFVEL-PWSUYJOCSA-N 0 1 298.770 2.699 20 5 CFBDMN CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840356983 632824519 /nfs/dbraw/zinc/82/45/19/632824519.db2.gz GXTGOHUIPSIXCG-LDYMZIIASA-N 0 1 298.726 2.731 20 5 CFBDMN CCOC(CN(CC)Cc1ccc([N+](=O)[O-])cc1)OCC ZINC000846969789 632863221 /nfs/dbraw/zinc/86/32/21/632863221.db2.gz NTVCSXFKZHTXBR-UHFFFAOYSA-N 0 1 296.367 2.816 20 5 CFBDMN O=C(Nc1cc(Cl)ccc1NC1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840375258 632993848 /nfs/dbraw/zinc/99/38/48/632993848.db2.gz NWEDHFAIKJIMKC-BXKDBHETSA-N 0 1 295.726 2.518 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H](O)c3ccccc32)cc1 ZINC000850368252 633958205 /nfs/dbraw/zinc/95/82/05/633958205.db2.gz APBLGGXPGCCUIB-CVEARBPZSA-N 0 1 284.315 2.863 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000852772940 634831737 /nfs/dbraw/zinc/83/17/37/634831737.db2.gz SUMAUWRUJXBSKN-LLVKDONJSA-N 0 1 293.323 2.981 20 5 CFBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@H]4C[C@@H]4C3)c2)cc1 ZINC000853575226 635038767 /nfs/dbraw/zinc/03/87/67/635038767.db2.gz CCINFBMZRQEAPM-ZIAGYGMSSA-N 0 1 298.346 2.758 20 5 CFBDMN CC(C)(C(=O)NOCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000856349935 635792287 /nfs/dbraw/zinc/79/22/87/635792287.db2.gz VRLTVRNFLZHFAI-UHFFFAOYSA-N 0 1 292.335 2.720 20 5 CFBDMN CC1(C)CC[C@@H](CO)N(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000856805254 635865234 /nfs/dbraw/zinc/86/52/34/635865234.db2.gz LTLVHLGUCWOOQL-LBPRGKRZSA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@@H]1C[C@@H](c2ccccc2)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000115512237 636017891 /nfs/dbraw/zinc/01/78/91/636017891.db2.gz MHAHSKNSWUTBFS-TZMCWYRMSA-N 0 1 286.335 2.627 20 5 CFBDMN Cc1ccc(CNCc2cncn2C(C)C)cc1[N+](=O)[O-] ZINC000865787741 638574259 /nfs/dbraw/zinc/57/42/59/638574259.db2.gz SIOLTIJWKOTAAE-UHFFFAOYSA-N 0 1 288.351 2.970 20 5 CFBDMN Cc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1[N+](=O)[O-] ZINC000866541325 638839077 /nfs/dbraw/zinc/83/90/77/638839077.db2.gz YKVGVZWEWSOCIA-CYBMUJFWSA-N 0 1 286.335 2.794 20 5 CFBDMN CO[C@H]1C[C@@H](CSCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000871713596 641419732 /nfs/dbraw/zinc/41/97/32/641419732.db2.gz ZGZUDWMBEWFAEA-WVSHTKLVSA-N 0 1 283.349 2.959 20 5 CFBDMN CC1(C)CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cn3)N=C2C1 ZINC000871943184 641521668 /nfs/dbraw/zinc/52/16/68/641521668.db2.gz BDHMRZRIYXHBFJ-SNVBAGLBSA-N 0 1 288.307 2.519 20 5 CFBDMN C[C@@H](N[C@@H]1CCCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872061853 641592843 /nfs/dbraw/zinc/59/28/43/641592843.db2.gz ALFVRHHRRXWFPF-IRUJWGPZSA-N 0 1 282.315 2.688 20 5 CFBDMN C[C@@H](NC[C@@H]1CCCC[C@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872076961 641609483 /nfs/dbraw/zinc/60/94/83/641609483.db2.gz WMWPHXREBNTZJK-UHIISALHSA-N 0 1 296.342 2.936 20 5 CFBDMN C[C@@H](N[C@@H]1CC12CC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872082030 641615219 /nfs/dbraw/zinc/61/52/19/641615219.db2.gz NRMIWGLJMDKTNG-LDYMZIIASA-N 0 1 250.273 2.937 20 5 CFBDMN C[C@@H](N[C@@H](C)C1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086815 641620515 /nfs/dbraw/zinc/62/05/15/641620515.db2.gz ZRKLIINZDFEZFQ-ZJUUUORDSA-N 0 1 282.315 2.546 20 5 CFBDMN Cc1ccc(C[N@H+](C)[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000872160638 641682248 /nfs/dbraw/zinc/68/22/48/641682248.db2.gz KDJIMNNNBPVNQE-CQSZACIVSA-N 0 1 294.351 2.834 20 5 CFBDMN Cc1ccc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000872162010 641683945 /nfs/dbraw/zinc/68/39/45/641683945.db2.gz KIZKSYSJQPCMNF-LLVKDONJSA-N 0 1 292.335 2.731 20 5 CFBDMN O=[N+]([O-])c1ccc(NCCCc2nc[nH]n2)c(C(F)F)c1 ZINC000080588165 650690701 /nfs/dbraw/zinc/69/07/01/650690701.db2.gz QKXMCRJIVSOTLP-UHFFFAOYSA-N 0 1 297.265 2.695 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN[C@]12CCC[C@H]1OCC2 ZINC000872313784 641752551 /nfs/dbraw/zinc/75/25/51/641752551.db2.gz ZIMIPUVHTPHELZ-KGLIPLIRSA-N 0 1 280.299 2.535 20 5 CFBDMN CCn1ncc(Nc2nc3sccn3c2[N+](=O)[O-])c1C ZINC000872778542 641932182 /nfs/dbraw/zinc/93/21/82/641932182.db2.gz IUSDVYFGPVZKMJ-UHFFFAOYSA-N 0 1 292.324 2.572 20 5 CFBDMN CN1CCC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])cc1Cl ZINC000872781036 641934645 /nfs/dbraw/zinc/93/46/45/641934645.db2.gz PCZGTEPTKVKIGD-ZIAGYGMSSA-N 0 1 295.770 2.921 20 5 CFBDMN O=C(N[C@H]1CCCC2(CC2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000888699717 642775193 /nfs/dbraw/zinc/77/51/93/642775193.db2.gz CTSZLAPZFOOGED-NSHDSACASA-N 0 1 290.319 2.753 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC2(C1)CCOCC2 ZINC000877581268 643377824 /nfs/dbraw/zinc/37/78/24/643377824.db2.gz TTWKKCBAHGLAPE-UHFFFAOYSA-N 0 1 290.363 2.824 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563538 644321856 /nfs/dbraw/zinc/32/18/56/644321856.db2.gz CIQNNRBYRSOIBZ-NEPJUHHUSA-N 0 1 296.367 2.919 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](CF)C1 ZINC000880299299 644639378 /nfs/dbraw/zinc/63/93/78/644639378.db2.gz FPNYCJXVAJNKBF-SECBINFHSA-N 0 1 256.252 2.525 20 5 CFBDMN CCC(CC)N(CCOC)Cc1cccnc1[N+](=O)[O-] ZINC000885983871 646795506 /nfs/dbraw/zinc/79/55/06/646795506.db2.gz SBJJDAHSKBVARZ-UHFFFAOYSA-N 0 1 281.356 2.627 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886676990 647105662 /nfs/dbraw/zinc/10/56/62/647105662.db2.gz PLDXLDVFMHFJTA-CQSZACIVSA-N 0 1 298.346 2.764 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886832285 647155547 /nfs/dbraw/zinc/15/55/47/647155547.db2.gz FOMZYJUCOQBLIP-IAQYHMDHSA-N 0 1 294.326 2.735 20 5 CFBDMN COc1ccccc1[C@H]1CC[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930449008 647892955 /nfs/dbraw/zinc/89/29/55/647892955.db2.gz KRRIBPUVKOOHAY-TZMCWYRMSA-N 0 1 278.352 2.745 20 5 CFBDMN O=[N+]([O-])CCN1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000930084899 649181067 /nfs/dbraw/zinc/18/10/67/649181067.db2.gz CZHXIWVFBVBIFJ-GFCCVEGCSA-N 0 1 298.770 2.708 20 5 CFBDMN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)nn1 ZINC000930208998 649207117 /nfs/dbraw/zinc/20/71/17/649207117.db2.gz ZMYDIIOONPSQDC-LLVKDONJSA-N 0 1 286.335 2.852 20 5 CFBDMN CCO[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932979752 649666682 /nfs/dbraw/zinc/66/66/82/649666682.db2.gz QQLVIBWBDQLGCP-FZMZJTMJSA-N 0 1 264.325 2.767 20 5 CFBDMN CO[C@@H]1CC[C@@H]1N(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934123363 649752716 /nfs/dbraw/zinc/75/27/16/649752716.db2.gz AFXYKSOAWHOEIZ-DDTOSNHZSA-N 0 1 264.325 2.765 20 5 CFBDMN Nc1nc2ccccc2n1-c1ccc(F)cc1[N+](=O)[O-] ZINC001210950496 770403661 /nfs/dbraw/zinc/40/36/61/770403661.db2.gz WZSCAHQRSABZII-UHFFFAOYSA-N 0 1 272.239 2.655 20 5 CFBDMN C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ncccc1F ZINC001225491806 775478594 /nfs/dbraw/zinc/47/85/94/775478594.db2.gz SXDYRNOIYHHMIR-MRVPVSSYSA-N 0 1 278.239 2.975 20 5 CFBDMN CCN1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226809616 775973397 /nfs/dbraw/zinc/97/33/97/775973397.db2.gz FKUXAZQWDDMIKR-SNVBAGLBSA-N 0 1 270.716 2.721 20 5 CFBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(OC2CCCC2)[nH]1 ZINC001228242899 776432010 /nfs/dbraw/zinc/43/20/10/776432010.db2.gz RXROROOSRAJTOS-UHFFFAOYSA-N 0 1 275.264 2.565 20 5 CFBDMN C[C@H]1CCC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228602840 776537035 /nfs/dbraw/zinc/53/70/35/776537035.db2.gz GBWQDLFKVDCERZ-WCBMZHEXSA-N 0 1 293.323 2.925 20 5 CFBDMN O=c1[nH]c(C2CC2)nc(O[C@@H]2C[C@@H]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC001228609562 776538944 /nfs/dbraw/zinc/53/89/44/776538944.db2.gz FHORJJZKUPRMNT-FKTZTGRPSA-N 0 1 291.307 2.535 20 5 CFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCC[C@@H]2C)cc1O ZINC001228811017 776621584 /nfs/dbraw/zinc/62/15/84/776621584.db2.gz MLWWTNQSOYUPGB-UFBFGSQYSA-N 0 1 295.291 2.654 20 5 CFBDMN Cc1nc(OC2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229377926 776795721 /nfs/dbraw/zinc/79/57/21/776795721.db2.gz CRDXEHGZVZFCBQ-YUMQZZPRSA-N 0 1 281.312 2.602 20 5 CFBDMN CCCC[C@@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382293 776797166 /nfs/dbraw/zinc/79/71/66/776797166.db2.gz RHAFHFOLEPSTFK-SECBINFHSA-N 0 1 269.301 2.746 20 5 CFBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CC[C@H](C)C2)n1 ZINC001231259806 777178395 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CCc1nc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000271540086 191200163 /nfs/dbraw/zinc/20/01/63/191200163.db2.gz QQYXURKTYPNSEM-NXEZZACHSA-N 0 1 289.339 2.687 20 5 CFBDMN C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271590483 191229509 /nfs/dbraw/zinc/22/95/09/191229509.db2.gz YGVORSXREIBSED-LDYMZIIASA-N 0 1 292.257 2.559 20 5 CFBDMN O=[N+]([O-])c1cc(CN2C[C@H]3CCC[C@@H]3C2)cs1 ZINC000152972490 188057238 /nfs/dbraw/zinc/05/72/38/188057238.db2.gz XYVVEISJVXCSEV-GHMZBOCLSA-N 0 1 252.339 2.888 20 5 CFBDMN CCCC[C@@H](CCC)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153019379 188060081 /nfs/dbraw/zinc/06/00/81/188060081.db2.gz OGQXCRFLAZPZTO-SNVBAGLBSA-N 0 1 282.344 2.654 20 5 CFBDMN Cc1cc(C)n(CCN[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000271670705 191268962 /nfs/dbraw/zinc/26/89/62/191268962.db2.gz AXYFRNRLVTZQLZ-CYBMUJFWSA-N 0 1 288.351 2.759 20 5 CFBDMN O=[N+]([O-])c1ccc(CN(CC2=CCCOC2)C2CC2)cc1 ZINC000154269503 188132696 /nfs/dbraw/zinc/13/26/96/188132696.db2.gz 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CC(C)(C)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330691290 203121134 /nfs/dbraw/zinc/12/11/34/203121134.db2.gz BCJICWUEUQNCJX-HUUCEWRRSA-N 0 1 292.379 2.824 20 5 CFBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC1 ZINC000015376657 372084045 /nfs/dbraw/zinc/08/40/45/372084045.db2.gz QOCVAWWAUAPXDX-JTQLQIEISA-N 0 1 288.307 2.802 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1C1CCC1 ZINC000272576704 296183588 /nfs/dbraw/zinc/18/35/88/296183588.db2.gz SUZZDFLGKRYJIQ-CQSZACIVSA-N 0 1 290.319 2.705 20 5 CFBDMN CCCNC(=O)CN[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000036780819 372592472 /nfs/dbraw/zinc/59/24/72/372592472.db2.gz MWKOWLVOCRYUBJ-CQSZACIVSA-N 0 1 293.367 2.552 20 5 CFBDMN CCC[C@H](N[C@H](C)C(=O)NCC)c1cccc([N+](=O)[O-])c1 ZINC000036794664 372596282 /nfs/dbraw/zinc/59/62/82/372596282.db2.gz PSRXKWJLVYSWCO-RISCZKNCSA-N 0 1 293.367 2.550 20 5 CFBDMN Cc1nn(C)c(C)c1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775715 372706260 /nfs/dbraw/zinc/70/62/60/372706260.db2.gz 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C[C@@H](O)C[C@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000124057142 377012178 /nfs/dbraw/zinc/01/21/78/377012178.db2.gz KSDSFXWBIIFGHM-GHMZBOCLSA-N 0 1 298.770 2.984 20 5 CFBDMN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000132481890 377844016 /nfs/dbraw/zinc/84/40/16/377844016.db2.gz MRVDGWUAUXMKEJ-WDEREUQCSA-N 0 1 294.355 2.653 20 5 CFBDMN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000133504021 377935500 /nfs/dbraw/zinc/93/55/00/377935500.db2.gz QVBCCFYTFRGXFT-IUCAKERBSA-N 0 1 296.758 2.680 20 5 CFBDMN CC1(C)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330443146 378556269 /nfs/dbraw/zinc/55/62/69/378556269.db2.gz VZFYTIMRKNETFZ-UHFFFAOYSA-N 0 1 264.325 2.922 20 5 CFBDMN C[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000330452986 378559793 /nfs/dbraw/zinc/55/97/93/378559793.db2.gz LEZNYYTZHDZJGR-UWVGGRQHSA-N 0 1 250.298 2.531 20 5 CFBDMN CCC1CCC(N(C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331036322 378618604 /nfs/dbraw/zinc/61/86/04/378618604.db2.gz 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CC[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000289779383 381152453 /nfs/dbraw/zinc/15/24/53/381152453.db2.gz KJIYBHLFMCWHFC-LLVKDONJSA-N 0 1 272.732 2.763 20 5 CFBDMN O=[N+]([O-])c1cnccc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000359014875 381216415 /nfs/dbraw/zinc/21/64/15/381216415.db2.gz YVQUETQASZQZLL-UHFFFAOYSA-N 0 1 299.315 2.926 20 5 CFBDMN C[C@@H](CNCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000359111397 381272530 /nfs/dbraw/zinc/27/25/30/381272530.db2.gz BIWJECZQDQXIJB-QMMMGPOBSA-N 0 1 262.231 2.883 20 5 CFBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@H](CO)C1 ZINC000370055834 381375839 /nfs/dbraw/zinc/37/58/39/381375839.db2.gz NHIFTOJSANYIOQ-NSHDSACASA-N 0 1 298.770 2.843 20 5 CFBDMN C[C@@H]1COCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000370181544 381400003 /nfs/dbraw/zinc/40/00/03/381400003.db2.gz GYYRECARWJVTKP-BPJJOFIESA-N 0 1 276.336 2.576 20 5 CFBDMN CCCC[C@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000291217310 381711730 /nfs/dbraw/zinc/71/17/30/381711730.db2.gz KRLQBXMGSGCTRP-JTQLQIEISA-N 0 1 280.324 2.951 20 5 CFBDMN CC[C@@H]1[C@@H](C)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000185616585 381683399 /nfs/dbraw/zinc/68/33/99/381683399.db2.gz QTWZJDPDHPYJRR-WCQYABFASA-N 0 1 291.351 2.654 20 5 CFBDMN CCc1[nH]nc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000185730312 381717595 /nfs/dbraw/zinc/71/75/95/381717595.db2.gz MOQWWDQDTIQTDC-UWVGGRQHSA-N 0 1 294.355 2.531 20 5 CFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCOC1 ZINC000298747330 381735241 /nfs/dbraw/zinc/73/52/41/381735241.db2.gz ZZAMRUIXKCZZIF-SNVBAGLBSA-N 0 1 284.743 2.717 20 5 CFBDMN CC(=O)c1ccc(N[C@H]2CCCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000343518664 381767453 /nfs/dbraw/zinc/76/74/53/381767453.db2.gz MHVSYWNBRUVASX-MFKMUULPSA-N 0 1 291.351 2.692 20 5 CFBDMN CC(C)N(Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291849907 381778006 /nfs/dbraw/zinc/77/80/06/381778006.db2.gz OZQCOFPYLQXMDN-CYBMUJFWSA-N 0 1 264.325 2.594 20 5 CFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC3(C2)CCCC3)c1 ZINC000372494345 381824524 /nfs/dbraw/zinc/82/45/24/381824524.db2.gz XKOCNJUCGPSYAJ-CQSZACIVSA-N 0 1 276.336 2.504 20 5 CFBDMN CCCN(CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000299341847 381903554 /nfs/dbraw/zinc/90/35/54/381903554.db2.gz FFUBVNSWBVJZRT-UHFFFAOYSA-N 0 1 290.323 2.877 20 5 CFBDMN CCCN(CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000299390802 381921815 /nfs/dbraw/zinc/92/18/15/381921815.db2.gz RFLRGOJMFJAFMM-UHFFFAOYSA-N 0 1 299.758 2.919 20 5 CFBDMN CCOc1cc(CN2C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000293160072 382013795 /nfs/dbraw/zinc/01/37/95/382013795.db2.gz VNWYKPPEJABUBZ-WDEREUQCSA-N 0 1 264.325 2.834 20 5 CFBDMN C[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000418120709 382127459 /nfs/dbraw/zinc/12/74/59/382127459.db2.gz CNXKTTBHEFBQNG-VWYCJHECSA-N 0 1 264.325 2.777 20 5 CFBDMN COCC1=CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000187621201 382227602 /nfs/dbraw/zinc/22/76/02/382227602.db2.gz AHRSLZVDELFAPW-GQCTYLIASA-N 0 1 288.347 2.887 20 5 CFBDMN CC[C@H]1CCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000352642806 382429527 /nfs/dbraw/zinc/42/95/27/382429527.db2.gz KDZORVNFMONHNY-LBPRGKRZSA-N 0 1 294.351 2.986 20 5 CFBDMN CCN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000352671013 382446055 /nfs/dbraw/zinc/44/60/55/382446055.db2.gz HOUJBGJVGPAXBJ-LLVKDONJSA-N 0 1 297.786 2.774 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)C1 ZINC000352730604 382463543 /nfs/dbraw/zinc/46/35/43/382463543.db2.gz FTXFHUWFISBZSH-NSHDSACASA-N 0 1 264.325 2.835 20 5 CFBDMN CC[C@H]1[C@H](CO)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000385826291 382577885 /nfs/dbraw/zinc/57/78/85/382577885.db2.gz SLXFPCHHWICFCF-AAEUAGOBSA-N 0 1 298.770 2.841 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000189156417 382557002 /nfs/dbraw/zinc/55/70/02/382557002.db2.gz ZRXSMWFDEFEPCW-INIZCTEOSA-N 0 1 290.363 2.986 20 5 CFBDMN C[C@H](N[C@@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358375175 382594341 /nfs/dbraw/zinc/59/43/41/382594341.db2.gz PLQWHSBEGQLDNF-WCBMZHEXSA-N 0 1 292.257 2.559 20 5 CFBDMN C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1(C(=O)[O-])CCCCC1 ZINC000387019638 382595796 /nfs/dbraw/zinc/59/57/96/382595796.db2.gz IIJIHPXSTPKLDP-UHFFFAOYSA-N 0 1 292.335 2.814 20 5 CFBDMN Cc1ccc([C@H](C)NCC2(C)OCCCO2)cc1[N+](=O)[O-] ZINC000190665099 382676875 /nfs/dbraw/zinc/67/68/75/382676875.db2.gz HIVKGKBSTNSWKG-LBPRGKRZSA-N 0 1 294.351 2.707 20 5 CFBDMN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000194093306 382735298 /nfs/dbraw/zinc/73/52/98/382735298.db2.gz IMOFIZIHTHNQRS-UHFFFAOYSA-N 0 1 280.324 2.692 20 5 CFBDMN CCCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000193691750 382722476 /nfs/dbraw/zinc/72/24/76/382722476.db2.gz QNUBLSIQTGKVAF-UHFFFAOYSA-N 0 1 279.296 2.877 20 5 CFBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCC[C@@H]2OC(F)F)cs1 ZINC000337288061 382794554 /nfs/dbraw/zinc/79/45/54/382794554.db2.gz LJDKDAZZCWPELV-BDAKNGLRSA-N 0 1 292.307 2.906 20 5 CFBDMN Cc1cc(N[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000228486461 382846978 /nfs/dbraw/zinc/84/69/78/382846978.db2.gz ISRGCWJHYPOFTK-SNVBAGLBSA-N 0 1 273.292 2.652 20 5 CFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C2CCC1CC2 ZINC000533237375 382888733 /nfs/dbraw/zinc/88/87/33/382888733.db2.gz UTUQOOSOLBPNIR-PKSQDBQZSA-N 0 1 289.335 2.549 20 5 CFBDMN Cc1cscc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442225298 382932580 /nfs/dbraw/zinc/93/25/80/382932580.db2.gz UXURJSUIBVPVNY-UHFFFAOYSA-N 0 1 298.345 2.766 20 5 CFBDMN C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000339060002 383135551 /nfs/dbraw/zinc/13/55/51/383135551.db2.gz LPKMGJAQMIWKDS-GHMZBOCLSA-N 0 1 264.325 2.778 20 5 CFBDMN CC[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000339083971 383143894 /nfs/dbraw/zinc/14/38/94/383143894.db2.gz ONZDILRJLDWXPV-LLVKDONJSA-N 0 1 293.348 2.998 20 5 CFBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cnccn3)C2)cc1 ZINC000518482865 383199622 /nfs/dbraw/zinc/19/96/22/383199622.db2.gz HTWIBWNYEORIQK-CQSZACIVSA-N 0 1 298.346 2.764 20 5 CFBDMN C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339123468 383158299 /nfs/dbraw/zinc/15/82/99/383158299.db2.gz FYGHUAIBWMCBQO-ZYHUDNBSSA-N 0 1 264.325 2.921 20 5 CFBDMN CCO[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000449492698 383330814 /nfs/dbraw/zinc/33/08/14/383330814.db2.gz JWUPWPFBIIZSAB-IAQYHMDHSA-N 0 1 294.351 2.547 20 5 CFBDMN CC[C@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000479654978 383411250 /nfs/dbraw/zinc/41/12/50/383411250.db2.gz ISKQSRWOOKLWJW-UMSPYCQHSA-N 0 1 292.335 2.999 20 5 CFBDMN CC[C@@H]1CN(CC)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000450823969 383505374 /nfs/dbraw/zinc/50/53/74/383505374.db2.gz CRCSMDLVCKKLFR-GFCCVEGCSA-N 0 1 281.331 2.654 20 5 CFBDMN CCCCC[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000489291489 383603668 /nfs/dbraw/zinc/60/36/68/383603668.db2.gz MBTZEMBSODQWKV-LLVKDONJSA-N 0 1 294.355 2.811 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(CF)CC1 ZINC000451392833 383605560 /nfs/dbraw/zinc/60/55/60/383605560.db2.gz KAFWGCKEBBNWPP-UHFFFAOYSA-N 0 1 282.315 2.785 20 5 CFBDMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000570099936 383570874 /nfs/dbraw/zinc/57/08/74/383570874.db2.gz DJHOVVQKHDUODX-CYBMUJFWSA-N 0 1 280.324 2.526 20 5 CFBDMN Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000263017597 383649963 /nfs/dbraw/zinc/64/99/63/383649963.db2.gz DISSYQLHILYXSK-DGCLKSJQSA-N 0 1 292.335 2.588 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000574284669 384073460 /nfs/dbraw/zinc/07/34/60/384073460.db2.gz GXZITHAFGHJKOE-ZFWWWQNUSA-N 0 1 288.347 2.596 20 5 CFBDMN C[C@@H]1CN(C2CC2)C[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000440598014 384110763 /nfs/dbraw/zinc/11/07/63/384110763.db2.gz MTGSIUXXVSQRMI-AMIZOPFISA-N 0 1 297.305 2.768 20 5 CFBDMN C[C@H]1C[N@@H+](CCCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277813025 384412911 /nfs/dbraw/zinc/41/29/11/384412911.db2.gz YJKQFSBZDJYBRI-ZDUSSCGKSA-N 0 1 293.367 2.508 20 5 CFBDMN CCC[C@H](C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269120595 384727911 /nfs/dbraw/zinc/72/79/11/384727911.db2.gz HHHBHDOQXKLHLG-VIFPVBQESA-N 0 1 266.297 2.561 20 5 CFBDMN C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000269832138 384876332 /nfs/dbraw/zinc/87/63/32/384876332.db2.gz PVPIAARJWAEZFZ-RWMBFGLXSA-N 0 1 278.352 2.891 20 5 CFBDMN C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[C@H]1O ZINC000270187938 385008226 /nfs/dbraw/zinc/00/82/26/385008226.db2.gz WBDHTSOZIKHVEV-IINYFYTJSA-N 0 1 298.770 2.841 20 5 CFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCC[C@H]1O ZINC000270187938 385008227 /nfs/dbraw/zinc/00/82/27/385008227.db2.gz WBDHTSOZIKHVEV-IINYFYTJSA-N 0 1 298.770 2.841 20 5 CFBDMN CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000270703842 385199179 /nfs/dbraw/zinc/19/91/79/385199179.db2.gz JGDDTQYLVGLJPX-SSDOTTSWSA-N 0 1 279.275 2.588 20 5 CFBDMN CN(C)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccsc1 ZINC000282346421 385288562 /nfs/dbraw/zinc/28/85/62/385288562.db2.gz ZXKWAWYEPZKAMW-SECBINFHSA-N 0 1 298.393 2.828 20 5 CFBDMN CCOC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283282546 385454065 /nfs/dbraw/zinc/45/40/65/385454065.db2.gz XIKCJRGVRCMBSV-CYBMUJFWSA-N 0 1 296.342 2.982 20 5 CFBDMN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccnc1 ZINC000284146958 385540826 /nfs/dbraw/zinc/54/08/26/385540826.db2.gz PBMNXTMONIMPFM-GHMZBOCLSA-N 0 1 286.335 2.984 20 5 CFBDMN O=C(NCCC1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272544989 385562257 /nfs/dbraw/zinc/56/22/57/385562257.db2.gz KAHUZWJAGVMDQD-UHFFFAOYSA-N 0 1 278.308 2.611 20 5 CFBDMN C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000272646562 385581968 /nfs/dbraw/zinc/58/19/68/385581968.db2.gz FPDQWUBLPGSAMR-QWRGUYRKSA-N 0 1 292.335 2.809 20 5 CFBDMN COc1cc(CN(C)CC(C)C)c([N+](=O)[O-])cc1F ZINC000274251296 385748597 /nfs/dbraw/zinc/74/85/97/385748597.db2.gz ICASLAKPLZDHML-UHFFFAOYSA-N 0 1 270.304 2.830 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](OC)C[C@H]1C ZINC000281703026 195344288 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C[C@H]1CCC[C@H](C)N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269312125 132154238 /nfs/dbraw/zinc/15/42/38/132154238.db2.gz ZEYMDGAUZOODSU-UWVGGRQHSA-N 0 1 278.308 2.704 20 5 CFBDMN CC[C@@H](NCC[N@@H+](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000054109993 393619020 /nfs/dbraw/zinc/61/90/20/393619020.db2.gz UZCYGHSYXZPENY-CQSZACIVSA-N 0 1 265.357 2.587 20 5 CFBDMN CCc1nc(CSc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000193510113 393654376 /nfs/dbraw/zinc/65/43/76/393654376.db2.gz IIKIZTBNVQGSNU-UHFFFAOYSA-N 0 1 282.300 2.707 20 5 CFBDMN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000339071481 393815675 /nfs/dbraw/zinc/81/56/75/393815675.db2.gz RCFFNQLYNJIEDX-SNVBAGLBSA-N 0 1 288.303 2.857 20 5 CFBDMN C[C@@H]1SCCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000118415143 393911121 /nfs/dbraw/zinc/91/11/21/393911121.db2.gz QNUWNWKYEXHBIO-QWRGUYRKSA-N 0 1 266.366 2.921 20 5 CFBDMN CC[C@@H](C)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000104687800 393861560 /nfs/dbraw/zinc/86/15/60/393861560.db2.gz 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CXZIUTSLALPHQD-ZYHUDNBSSA-N 0 1 291.351 2.572 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000430463431 276040492 /nfs/dbraw/zinc/04/04/92/276040492.db2.gz BCFOBBGVSURMSQ-NXEZZACHSA-N 0 1 294.355 2.702 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000269520371 276041109 /nfs/dbraw/zinc/04/11/09/276041109.db2.gz QFJGTEJVCMLCEA-UWVGGRQHSA-N 0 1 294.355 2.702 20 5 CFBDMN CN1Cc2ccccc2[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000367165701 277210939 /nfs/dbraw/zinc/21/09/39/277210939.db2.gz PGKLYIUQQVTSNA-HNNXBMFYSA-N 0 1 298.346 2.776 20 5 CFBDMN CCN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037126375 279079033 /nfs/dbraw/zinc/07/90/33/279079033.db2.gz IIYJBPMOMUDGKK-RYUDHWBXSA-N 0 1 293.367 2.502 20 5 CFBDMN C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000166633429 279528966 /nfs/dbraw/zinc/52/89/66/279528966.db2.gz VZBKFZBMDYKLNP-MZPVMMEZSA-N 0 1 298.342 2.904 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CCCC[C@H]2c2nnc[nH]2)cs1 ZINC000331548442 280357655 /nfs/dbraw/zinc/35/76/55/280357655.db2.gz GOWZRTYXDRIYQV-JTQLQIEISA-N 0 1 293.352 2.502 20 5 CFBDMN Cc1cc(N2C[C@@H](F)[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000295057923 280584482 /nfs/dbraw/zinc/58/44/82/280584482.db2.gz VDYYBQAUZCYVNZ-TXEJJXNPSA-N 0 1 293.273 2.948 20 5 CFBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000336830367 281163848 /nfs/dbraw/zinc/16/38/48/281163848.db2.gz BRAZRVWUIWOQNX-UHFFFAOYSA-N 0 1 284.331 2.838 20 5 CFBDMN CO[C@@H]1CCC[C@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000451629310 281246264 /nfs/dbraw/zinc/24/62/64/281246264.db2.gz DKXOBPVEPKOWQC-CHWSQXEVSA-N 0 1 286.278 2.530 20 5 CFBDMN CC[C@H]1[C@H](C)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000274840498 281274110 /nfs/dbraw/zinc/27/41/10/281274110.db2.gz VYTMHOHVMYSQEV-ZJUUUORDSA-N 0 1 294.355 2.702 20 5 CFBDMN COC(C)(C)CN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000404355614 290028812 /nfs/dbraw/zinc/02/88/12/290028812.db2.gz NATYAXPSWHSYBQ-UHFFFAOYSA-N 0 1 270.304 2.591 20 5 CFBDMN CCO[C@@H]1C[C@@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000562467944 290045663 /nfs/dbraw/zinc/04/56/63/290045663.db2.gz KSBYDCYDUDAAKS-DZGCQCFKSA-N 0 1 278.352 2.985 20 5 CFBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000565196718 290280261 /nfs/dbraw/zinc/28/02/61/290280261.db2.gz QDTSFMLWLSFIMG-JTQLQIEISA-N 0 1 296.371 2.948 20 5 CFBDMN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000565218285 290283815 /nfs/dbraw/zinc/28/38/15/290283815.db2.gz PKADFJULMXKFRE-HZMBPMFUSA-N 0 1 286.335 2.666 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN(C(C)C)[C@H]1CCOC1 ZINC000361420312 295027966 /nfs/dbraw/zinc/02/79/66/295027966.db2.gz NBMZBFMRSDIEIP-AWEZNQCLSA-N 0 1 294.351 2.603 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1CCC(c2ncco2)CC1 ZINC000829056351 782119061 /nfs/dbraw/zinc/11/90/61/782119061.db2.gz MFYQRNFXQSCDKK-UHFFFAOYSA-N 0 1 287.319 2.962 20 5 CFBDMN CCN(CC1CCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000358169662 520973760 /nfs/dbraw/zinc/97/37/60/520973760.db2.gz ABACNXWNBZIIMP-UHFFFAOYSA-N 0 1 278.308 2.563 20 5 CFBDMN CC[C@@H](C)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000057304131 522359482 /nfs/dbraw/zinc/35/94/82/522359482.db2.gz JRSXZJSPPZAMHK-BDAKNGLRSA-N 0 1 290.323 2.636 20 5 CFBDMN Cc1ccc(CNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000057591057 524585851 /nfs/dbraw/zinc/58/58/51/524585851.db2.gz TZKZWHPEQPVQQG-UHFFFAOYSA-N 0 1 257.293 2.588 20 5 CFBDMN Cc1cc(NS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000081574404 525290302 /nfs/dbraw/zinc/29/03/02/525290302.db2.gz ALKQSNAAQHYGHI-UHFFFAOYSA-N 0 1 292.316 2.704 20 5 CFBDMN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000172181581 525422506 /nfs/dbraw/zinc/42/25/06/525422506.db2.gz LMCUOSHVKYBYKF-UHFFFAOYSA-N 0 1 292.316 2.704 20 5 CFBDMN Cc1c(CNCc2cccn2C)cccc1[N+](=O)[O-] ZINC000231884570 525724181 /nfs/dbraw/zinc/72/41/81/525724181.db2.gz YLFKDVWKBJISPT-UHFFFAOYSA-N 0 1 259.309 2.532 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccsc1 ZINC000174252262 526087744 /nfs/dbraw/zinc/08/77/44/526087744.db2.gz ORBYYGHCEODXDG-UHFFFAOYSA-N 0 1 298.345 2.766 20 5 CFBDMN COc1cccc(NCCN2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000360965694 526208807 /nfs/dbraw/zinc/20/88/07/526208807.db2.gz IGPYQLFXNHMEML-UHFFFAOYSA-N 0 1 291.351 2.667 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000230147394 527351568 /nfs/dbraw/zinc/35/15/68/527351568.db2.gz RNFTYCWKEYXJBK-KGLIPLIRSA-N 0 1 296.754 2.905 20 5 CFBDMN CC(C)CCn1ccc(Nc2ncc([N+](=O)[O-])cc2F)n1 ZINC000413244402 527882196 /nfs/dbraw/zinc/88/21/96/527882196.db2.gz WTAJVFBBKBDEHZ-UHFFFAOYSA-N 0 1 293.302 2.537 20 5 CFBDMN CC(C)c1ccc(CN2C[C@H](O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414519555 528095333 /nfs/dbraw/zinc/09/53/33/528095333.db2.gz BJPUCCXRJCXNGF-GXTWGEPZSA-N 0 1 292.379 2.921 20 5 CFBDMN CCC(C)(C)CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000744340471 574069044 /nfs/dbraw/zinc/06/90/44/574069044.db2.gz ROLJNPKTKMYXRH-UHFFFAOYSA-N 0 1 254.286 2.906 20 5 CFBDMN CCCN(C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899590 574135380 /nfs/dbraw/zinc/13/53/80/574135380.db2.gz IRPTZTSHOLTBCN-UHFFFAOYSA-N 0 1 274.324 2.758 20 5 CFBDMN C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000752076113 574387657 /nfs/dbraw/zinc/38/76/57/574387657.db2.gz NXAODWOARRKHNV-AOOOYVTPSA-N 0 1 252.289 2.822 20 5 CFBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000062934960 605212441 /nfs/dbraw/zinc/21/24/41/605212441.db2.gz NBOGYMZKURDZRC-CYBMUJFWSA-N 0 1 298.726 2.545 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C)CC1 ZINC000932348539 617678942 /nfs/dbraw/zinc/67/89/42/617678942.db2.gz GNDHEGYWVXCRIR-RYUDHWBXSA-N 0 1 264.325 2.767 20 5 CFBDMN CCCCOC(=O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000051383102 617975387 /nfs/dbraw/zinc/97/53/87/617975387.db2.gz IUAWGJDAHACOMH-UHFFFAOYSA-N 0 1 294.351 2.760 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCCCC[C@H]2CO)cc1Cl ZINC000895149902 618392571 /nfs/dbraw/zinc/39/25/71/618392571.db2.gz CQDKBEIIRIELMZ-LBPRGKRZSA-N 0 1 298.770 2.985 20 5 CFBDMN Cc1nn(CN(C)CC2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000074067989 618406629 /nfs/dbraw/zinc/40/66/29/618406629.db2.gz WZPVQOBCVCEDHI-UHFFFAOYSA-N 0 1 280.372 2.878 20 5 CFBDMN CC1=NO[C@@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895306328 618522474 /nfs/dbraw/zinc/52/24/74/618522474.db2.gz CNFQDJCQVTVOLV-SNVBAGLBSA-N 0 1 283.715 2.503 20 5 CFBDMN C[C@@H]1[C@@H](C)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000177874062 618610506 /nfs/dbraw/zinc/61/05/06/618610506.db2.gz WMZKNBSRYNTKOP-VHSXEESVSA-N 0 1 252.289 2.964 20 5 CFBDMN CC1(C)COC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000313056448 618973656 /nfs/dbraw/zinc/97/36/56/618973656.db2.gz BFZSLOSKYGOVER-GFCCVEGCSA-N 0 1 284.743 2.763 20 5 CFBDMN CCOC(CN[C@H](C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000093446874 619023421 /nfs/dbraw/zinc/02/34/21/619023421.db2.gz RSCOQWAXBKDAAX-LLVKDONJSA-N 0 1 282.340 2.645 20 5 CFBDMN Cc1nn(CN2CC[C@@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000072916925 619083548 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CCC(=O)c1ccc(N[C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000895737494 619598124 /nfs/dbraw/zinc/59/81/24/619598124.db2.gz WMXOHBXPFFNSRB-ZYHUDNBSSA-N 0 1 291.351 2.692 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000897823474 620290171 /nfs/dbraw/zinc/29/01/71/620290171.db2.gz YRWWYZVVLHFJQW-UVHGVLLISA-N 0 1 294.738 2.514 20 5 CFBDMN Cc1cc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc(C)c1Cl ZINC000841054977 620421841 /nfs/dbraw/zinc/42/18/41/620421841.db2.gz JHDMSPRPUMVKRE-NXEZZACHSA-N 0 1 269.684 2.527 20 5 CFBDMN C[C@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000903285422 621305730 /nfs/dbraw/zinc/30/57/30/621305730.db2.gz ZVPOJJSUUNBPLI-KFKJRKHASA-N 0 1 292.310 2.560 20 5 CFBDMN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903887977 621459972 /nfs/dbraw/zinc/45/99/72/621459972.db2.gz LGKKOHCIHAJCNH-GXTWGEPZSA-N 0 1 292.335 2.526 20 5 CFBDMN C[C@@H](N[C@@H](C)c1ccnnc1)c1cccc([N+](=O)[O-])c1 ZINC000924800603 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Cc1cc(-c2noc([C@@H]3CCCCN3)n2)cc([N+](=O)[O-])c1 ZINC000823270114 623280626 /nfs/dbraw/zinc/28/06/26/623280626.db2.gz NDOKUMOWVWFZJZ-LBPRGKRZSA-N 0 1 288.307 2.768 20 5 CFBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)C1O ZINC000827152060 623955075 /nfs/dbraw/zinc/95/50/75/623955075.db2.gz PWTKXZVILSINQC-UWVGGRQHSA-N 0 1 298.770 2.697 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1Cl ZINC000827601210 624043216 /nfs/dbraw/zinc/04/32/16/624043216.db2.gz CPYLBLAUUJJNKQ-NEPJUHHUSA-N 0 1 296.754 2.717 20 5 CFBDMN Cc1cc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C)s1 ZINC000920794244 624772614 /nfs/dbraw/zinc/77/26/14/624772614.db2.gz AYNNOLOOIICDDZ-UHFFFAOYSA-N 0 1 280.305 2.958 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000830560534 624779980 /nfs/dbraw/zinc/77/99/80/624779980.db2.gz GPGJOABVQNJVSL-UHFFFAOYSA-N 0 1 267.285 2.733 20 5 CFBDMN O=[N+]([O-])c1cc(CNC2([C@@H]3CCCCO3)CC2)cs1 ZINC000923028406 626444842 /nfs/dbraw/zinc/44/48/42/626444842.db2.gz 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20 5 CFBDMN C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1cnn(C)c1 ZINC000783636502 628729143 /nfs/dbraw/zinc/72/91/43/628729143.db2.gz MQVXEJFZLPXXQO-SECBINFHSA-N 0 1 294.742 2.833 20 5 CFBDMN Cc1cc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)[nH]n1 ZINC000783636308 628729335 /nfs/dbraw/zinc/72/93/35/628729335.db2.gz NGTBYUYXXTZDIJ-UHFFFAOYSA-N 0 1 280.715 2.570 20 5 CFBDMN Cc1c(OC(=O)c2ccc3cncn3c2)cccc1[N+](=O)[O-] ZINC000790292136 629226250 /nfs/dbraw/zinc/22/62/50/629226250.db2.gz MEDLAWBRUSANAW-UHFFFAOYSA-N 0 1 297.270 2.770 20 5 CFBDMN O=[N+]([O-])CCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000791054646 629283862 /nfs/dbraw/zinc/28/38/62/629283862.db2.gz MYEHPVSCPATRHU-ZDUSSCGKSA-N 0 1 252.289 2.533 20 5 CFBDMN O=[N+]([O-])CCN1CCC(c2c[nH]c3ccccc23)CC1 ZINC000791053757 629284234 /nfs/dbraw/zinc/28/42/34/629284234.db2.gz OXRKDPOCKPKHRB-UHFFFAOYSA-N 0 1 273.336 2.624 20 5 CFBDMN CCN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000796314569 629902334 /nfs/dbraw/zinc/90/23/34/629902334.db2.gz AGLMAAUVDIDYGC-NSHDSACASA-N 0 1 297.786 2.774 20 5 CFBDMN CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)C(=O)[O-] ZINC000852734166 634816820 /nfs/dbraw/zinc/81/68/20/634816820.db2.gz FMULOVWNYZDJEG-QMMMGPOBSA-N 0 1 286.715 2.543 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCCS1 ZINC000837625779 631090537 /nfs/dbraw/zinc/09/05/37/631090537.db2.gz ABIUGNCUBQFJCM-LBPRGKRZSA-N 0 1 297.332 2.629 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000809692781 631265573 /nfs/dbraw/zinc/26/55/73/631265573.db2.gz GUZZHXHQEFJAAM-NSHDSACASA-N 0 1 284.743 2.859 20 5 CFBDMN CC[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(C)ccc1OC ZINC000841170391 631352505 /nfs/dbraw/zinc/35/25/05/631352505.db2.gz FEERVPNVKLWEIR-RAIGVLPGSA-N 0 1 293.319 2.663 20 5 CFBDMN COCCCCN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842173366 631561011 /nfs/dbraw/zinc/56/10/11/631561011.db2.gz OMFWGEFWCRGXQZ-UHFFFAOYSA-N 0 1 270.304 2.592 20 5 CFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CCOC1 ZINC000811484767 631569363 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C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1CO ZINC000857061699 635922117 /nfs/dbraw/zinc/92/21/17/635922117.db2.gz ULDCGQBJAZKDQO-PWSUYJOCSA-N 0 1 298.770 2.699 20 5 CFBDMN C[C@@H](Cc1ccsc1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851145332 634247418 /nfs/dbraw/zinc/24/74/18/634247418.db2.gz NRBWAYHKXMUUDG-QMMMGPOBSA-N 0 1 280.305 2.772 20 5 CFBDMN Cc1nn(CN2CC[C@@H]3C[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853577585 635040563 /nfs/dbraw/zinc/04/05/63/635040563.db2.gz UGDDDDRTTPHBNP-VXGBXAGGSA-N 0 1 286.335 2.552 20 5 CFBDMN O=[N+]([O-])c1cnn(CN2CCCC[C@H]2CC2CCC2)c1 ZINC000853605983 635048710 /nfs/dbraw/zinc/04/87/10/635048710.db2.gz OUVDFJAINXSASO-ZDUSSCGKSA-N 0 1 278.356 2.794 20 5 CFBDMN CC[C@@H](NC)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000854159629 635235543 /nfs/dbraw/zinc/23/55/43/635235543.db2.gz BBCSBFYUEJIOJI-LLVKDONJSA-N 0 1 276.296 2.624 20 5 CFBDMN CCC[C@H](OCC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000859837937 636718691 /nfs/dbraw/zinc/71/86/91/636718691.db2.gz LXYYXLRYEJWHJM-ZDUSSCGKSA-N 0 1 297.307 2.549 20 5 CFBDMN CC[C@@H](C)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000862486493 637400458 /nfs/dbraw/zinc/40/04/58/637400458.db2.gz FWIGCQAPJFQROD-OASPWFOLSA-N 0 1 262.309 2.804 20 5 CFBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000863532073 637686443 /nfs/dbraw/zinc/68/64/43/637686443.db2.gz DHADNYJDNIYRCR-ZDUSSCGKSA-N 0 1 298.726 2.687 20 5 CFBDMN C[N@H+]1CCN(c2sccc2[N+](=O)[O-])CCC1(C)C ZINC000866112863 638742694 /nfs/dbraw/zinc/74/26/94/638742694.db2.gz MGGBRFAZCLMUSN-UHFFFAOYSA-N 0 1 269.370 2.577 20 5 CFBDMN C[C@H](O)CCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068423 641599761 /nfs/dbraw/zinc/59/97/61/641599761.db2.gz XLVLGTPGCBXZQO-UWVGGRQHSA-N 0 1 270.304 2.546 20 5 CFBDMN C[C@@H](NCCN1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069730 641601030 /nfs/dbraw/zinc/60/10/30/641601030.db2.gz UBOKHLFYFNTZEX-GFCCVEGCSA-N 0 1 293.342 2.646 20 5 CFBDMN CC[C@H](C[C@@H](C)O)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094981 641626718 /nfs/dbraw/zinc/62/67/18/641626718.db2.gz QKFKPFFEGGETNE-GMTAPVOTSA-N 0 1 284.331 2.934 20 5 CFBDMN Cc1ccc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000872160825 641682810 /nfs/dbraw/zinc/68/28/10/641682810.db2.gz NBKQGFFKNYVQOL-HNNXBMFYSA-N 0 1 292.335 2.590 20 5 CFBDMN CC[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877691922 643457397 /nfs/dbraw/zinc/45/73/97/643457397.db2.gz XNZSWPQXRVRRRZ-AWEZNQCLSA-N 0 1 298.770 2.985 20 5 CFBDMN CC(C)(O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877836023 643603034 /nfs/dbraw/zinc/60/30/34/643603034.db2.gz LEMOXPSOXVNXBT-NSHDSACASA-N 0 1 298.770 2.841 20 5 CFBDMN CO[C@@H]1CC[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000879318287 644222389 /nfs/dbraw/zinc/22/23/89/644222389.db2.gz SKGWNGFQCKAUQH-WCQYABFASA-N 0 1 264.325 2.594 20 5 CFBDMN CO[C@@H]1CC[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319531 644225106 /nfs/dbraw/zinc/22/51/06/644225106.db2.gz WVKOSPILLGKECX-BXUZGUMPSA-N 0 1 264.325 2.594 20 5 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KDUICKLEJHEPKE-NSHDSACASA-N 0 1 298.770 2.843 20 5 CFBDMN O=[N+]([O-])c1ccc(CCN2CCC[C@H]2CF)cc1 ZINC000293188157 348361541 /nfs/dbraw/zinc/36/15/41/348361541.db2.gz WIRCIADKAQTFSG-ZDUSSCGKSA-N 0 1 252.289 2.571 20 5 CFBDMN CC(C)(C)OCCNCc1ccc([N+](=O)[O-])cc1F ZINC000308512348 348404291 /nfs/dbraw/zinc/40/42/91/348404291.db2.gz LTVBSNVVCGOPKX-UHFFFAOYSA-N 0 1 270.304 2.639 20 5 CFBDMN C[C@H]1CSC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000586779985 348751514 /nfs/dbraw/zinc/75/15/14/348751514.db2.gz RZEOZABMDPQJOW-KWQFWETISA-N 0 1 293.348 2.577 20 5 CFBDMN CC[C@@H]1CCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496848 348835772 /nfs/dbraw/zinc/83/57/72/348835772.db2.gz QWFYCZQVBNTFDI-CYBMUJFWSA-N 0 1 292.335 2.756 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](C2CCC2)C1 ZINC000591127166 348990676 /nfs/dbraw/zinc/99/06/76/348990676.db2.gz ODRWMPADFFBZLG-LLVKDONJSA-N 0 1 290.319 2.563 20 5 CFBDMN O=[N+]([O-])c1cccc(/C=C/c2nc([C@H]3CCCN3)no2)c1 ZINC000592357461 349108700 /nfs/dbraw/zinc/10/87/00/349108700.db2.gz GCCABFCGASKLBJ-NNNHXZLVSA-N 0 1 286.291 2.573 20 5 CFBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C(C)(C)C)c1 ZINC000593036302 349191343 /nfs/dbraw/zinc/19/13/43/349191343.db2.gz XYCYGXVYARNBFL-UHFFFAOYSA-N 0 1 280.324 2.612 20 5 CFBDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593290987 349242519 /nfs/dbraw/zinc/24/25/19/349242519.db2.gz SNDTWPUTBQUEPK-LDYMZIIASA-N 0 1 298.726 2.686 20 5 CFBDMN CC(C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732539 349316286 /nfs/dbraw/zinc/31/62/86/349316286.db2.gz MYCGTUYOJCFINS-ZDUSSCGKSA-N 0 1 292.335 2.913 20 5 CFBDMN CC(C)[C@@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732200 349316438 /nfs/dbraw/zinc/31/64/38/349316438.db2.gz KHDAGBZMAXSYHN-SNVBAGLBSA-N 0 1 280.324 2.769 20 5 CFBDMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000593737913 349317351 /nfs/dbraw/zinc/31/73/51/349317351.db2.gz ZQPXSFILPVRJCT-GHMZBOCLSA-N 0 1 292.335 2.771 20 5 CFBDMN C[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593739284 349317856 /nfs/dbraw/zinc/31/78/56/349317856.db2.gz XUOAVFICKPMGFO-QWRGUYRKSA-N 0 1 292.335 2.913 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)c(Cl)c1 ZINC000597087404 350028079 /nfs/dbraw/zinc/02/80/79/350028079.db2.gz ARQKBKADORFGKD-FZMZJTMJSA-N 0 1 296.754 2.905 20 5 CFBDMN CC[C@@H](C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597974595 350168666 /nfs/dbraw/zinc/16/86/66/350168666.db2.gz AIHMDWKVDYHVBU-SECBINFHSA-N 0 1 290.323 2.637 20 5 CFBDMN O=C(NCCCC1CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598220270 350219197 /nfs/dbraw/zinc/21/91/97/350219197.db2.gz ZZPMUKICQJMVAJ-UHFFFAOYSA-N 0 1 278.308 2.611 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](CCF)C1 ZINC000598223506 350220045 /nfs/dbraw/zinc/22/00/45/350220045.db2.gz IALDJNOHKVGYFY-JTQLQIEISA-N 0 1 296.298 2.512 20 5 CFBDMN COCC(C)(C)NCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104959626 186033891 /nfs/dbraw/zinc/03/38/91/186033891.db2.gz INHGOGIKGYMXPP-UHFFFAOYSA-N 0 1 296.367 2.897 20 5 CFBDMN COc1cc(CN2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000091859806 180275508 /nfs/dbraw/zinc/27/55/08/180275508.db2.gz AGBXNFNDTCRBDJ-WDEREUQCSA-N 0 1 294.351 2.842 20 5 CFBDMN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCc2n[nH]cc2C1 ZINC000598938595 350347124 /nfs/dbraw/zinc/34/71/24/350347124.db2.gz FEYNHLKJUJBBSF-GHXNOFRVSA-N 0 1 298.346 2.780 20 5 CFBDMN CO[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599017385 350359892 /nfs/dbraw/zinc/35/98/92/350359892.db2.gz YJDPOWSFHVNFLE-HOMQSWHASA-N 0 1 270.716 2.515 20 5 CFBDMN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3COCCN3)cc2)cc1 ZINC000600787324 350611344 /nfs/dbraw/zinc/61/13/44/350611344.db2.gz ZNMWKLZFEULXNY-INIZCTEOSA-N 0 1 284.315 2.923 20 5 CFBDMN O=[N+]([O-])c1ccc(-c2cccc([C@H]3COCCN3)c2)cc1 ZINC000600786746 350611414 /nfs/dbraw/zinc/61/14/14/350611414.db2.gz RXPRXUJYGLBWNL-MRXNPFEDSA-N 0 1 284.315 2.923 20 5 CFBDMN O=C(NC[C@@H]1CCCC12CC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600802330 350614143 /nfs/dbraw/zinc/61/41/43/350614143.db2.gz GHQNSQRIWBJTDD-NSHDSACASA-N 0 1 290.319 2.611 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000601160505 350685374 /nfs/dbraw/zinc/68/53/74/350685374.db2.gz WTIZOYAFCPDDIA-GHMZBOCLSA-N 0 1 274.242 2.944 20 5 CFBDMN Cc1[nH]ncc1CN(C)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601181060 350690168 /nfs/dbraw/zinc/69/01/68/350690168.db2.gz DTVJKJLURMQKTL-UHFFFAOYSA-N 0 1 278.287 2.710 20 5 CFBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000601300833 350720225 /nfs/dbraw/zinc/72/02/25/350720225.db2.gz JVTIHFYKWIYSNN-VAOFZXAKSA-N 0 1 292.257 2.557 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCCn2nccc21 ZINC000601320657 350723667 /nfs/dbraw/zinc/72/36/67/350723667.db2.gz IIHLCWZNFQBWOR-KBPBESRZSA-N 0 1 298.346 2.903 20 5 CFBDMN Cn1nccc1CCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000601918929 350801968 /nfs/dbraw/zinc/80/19/68/350801968.db2.gz IMYHBTCBLOUGGW-UHFFFAOYSA-N 0 1 293.348 2.510 20 5 CFBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)[C@@H](C)CC2 ZINC000601938024 350809292 /nfs/dbraw/zinc/80/92/92/350809292.db2.gz FPMGSCYYIBXJGK-SDBXPKJASA-N 0 1 273.292 2.652 20 5 CFBDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2Cl)c(=O)c1C ZINC000601938742 350810147 /nfs/dbraw/zinc/81/01/47/350810147.db2.gz IXPJCWBUHWSZGT-LURJTMIESA-N 0 1 267.672 2.607 20 5 CFBDMN CCc1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2C)c1=O ZINC000601939510 350810521 /nfs/dbraw/zinc/81/05/21/350810521.db2.gz LMIPJULKOOZADF-SNVBAGLBSA-N 0 1 261.281 2.652 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CC[C@@H]2C ZINC000601942192 350812097 /nfs/dbraw/zinc/81/20/97/350812097.db2.gz HHMSXBFEVWFKFN-GZMMTYOYSA-N 0 1 273.292 2.652 20 5 CFBDMN O=c1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c[nH]1 ZINC000602438702 350882809 /nfs/dbraw/zinc/88/28/09/350882809.db2.gz HPBFZWSZUMBHFX-UHFFFAOYSA-N 0 1 299.330 2.860 20 5 CFBDMN CO[C@H](C)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602624474 350951017 /nfs/dbraw/zinc/95/10/17/350951017.db2.gz BPPFNKBBGTTWPC-MRVPVSSYSA-N 0 1 292.257 2.738 20 5 CFBDMN CCCc1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000603923719 351192236 /nfs/dbraw/zinc/19/22/36/351192236.db2.gz MNYQNNKLAROYGK-GFCCVEGCSA-N 0 1 261.281 2.734 20 5 CFBDMN C[C@@H]1C[C@H](C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000610133407 351535925 /nfs/dbraw/zinc/53/59/25/351535925.db2.gz MVEPLCGEVPQKPF-VHSXEESVSA-N 0 1 252.289 2.964 20 5 CFBDMN Cc1ccc2nc(CNc3cccnc3[N+](=O)[O-])[nH]c2c1 ZINC000610412228 351564779 /nfs/dbraw/zinc/56/47/79/351564779.db2.gz UBXZREZDSLPVRT-UHFFFAOYSA-N 0 1 283.291 2.787 20 5 CFBDMN Cc1cc(NCC2(O)CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000130449347 187494729 /nfs/dbraw/zinc/49/47/29/187494729.db2.gz UEBRRMXQWBKYGC-UHFFFAOYSA-N 0 1 287.319 2.778 20 5 CFBDMN CCN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611092284 351639891 /nfs/dbraw/zinc/63/98/91/351639891.db2.gz NLQNSYYMNVEDEE-NSHDSACASA-N 0 1 297.786 2.774 20 5 CFBDMN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000611222025 351652666 /nfs/dbraw/zinc/65/26/66/351652666.db2.gz HMAXENQELHFMEW-VHSXEESVSA-N 0 1 269.370 2.575 20 5 CFBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cocn1 ZINC000611474521 351694975 /nfs/dbraw/zinc/69/49/75/351694975.db2.gz WXOZHBXTKJWEDF-NSHDSACASA-N 0 1 275.308 2.694 20 5 CFBDMN C[C@@H]1[C@@H](C)CCN1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611285457 351664283 /nfs/dbraw/zinc/66/42/83/351664283.db2.gz FAOZMAJUZLJTAH-WDEREUQCSA-N 0 1 292.335 2.596 20 5 CFBDMN CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000271444003 191140594 /nfs/dbraw/zinc/14/05/94/191140594.db2.gz XUUQXDXMHQXECA-SECBINFHSA-N 0 1 275.312 2.757 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCc3cn[nH]c3C2)c(Cl)c1 ZINC000611792740 351740924 /nfs/dbraw/zinc/74/09/24/351740924.db2.gz OTKXLRGMWZSUNI-UHFFFAOYSA-N 0 1 292.726 2.530 20 5 CFBDMN C[C@@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000122992481 187064344 /nfs/dbraw/zinc/06/43/44/187064344.db2.gz LUPZLJAYIMEOPY-NXEZZACHSA-N 0 1 279.315 2.771 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000123005741 187065821 /nfs/dbraw/zinc/06/58/21/187065821.db2.gz QHDDZBLPQXQBKG-VXGBXAGGSA-N 0 1 291.351 2.715 20 5 CFBDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000123647273 187102696 /nfs/dbraw/zinc/10/26/96/187102696.db2.gz PITRVCGIEHDVFE-YPMHNXCESA-N 0 1 296.342 2.859 20 5 CFBDMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000271454701 191147238 /nfs/dbraw/zinc/14/72/38/191147238.db2.gz GODREJOMRZTNAA-KWQFWETISA-N 0 1 292.257 2.559 20 5 CFBDMN O=[N+]([O-])c1ccc2[nH]c(CN3C[C@@H]4CCC[C@@H]4C3)nc2c1 ZINC000614261520 352072020 /nfs/dbraw/zinc/07/20/20/352072020.db2.gz IGAJXASKSREPMB-PHIMTYICSA-N 0 1 286.335 2.703 20 5 CFBDMN O=[N+]([O-])c1ccc2[nH]c(CN3C[C@@H]4CCC[C@H]4C3)nc2c1 ZINC000614261521 352072176 /nfs/dbraw/zinc/07/21/76/352072176.db2.gz IGAJXASKSREPMB-QWRGUYRKSA-N 0 1 286.335 2.703 20 5 CFBDMN CO[C@@H](C)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271576490 191222161 /nfs/dbraw/zinc/22/21/61/191222161.db2.gz ZYGMYEIAHWGTRU-BDAKNGLRSA-N 0 1 272.732 2.761 20 5 CFBDMN Cc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[nH]n1 ZINC000618569101 352812103 /nfs/dbraw/zinc/81/21/03/352812103.db2.gz HKUSSTNIXYSDBS-OAHLLOKOSA-N 0 1 286.335 2.794 20 5 CFBDMN Cc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000618569101 352812105 /nfs/dbraw/zinc/81/21/05/352812105.db2.gz HKUSSTNIXYSDBS-OAHLLOKOSA-N 0 1 286.335 2.794 20 5 CFBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC([C@@H]2CCOC2)C1 ZINC000619432200 353022501 /nfs/dbraw/zinc/02/25/01/353022501.db2.gz HNANCIQCHAPICC-PKXJPQMGSA-N 0 1 288.347 2.576 20 5 CFBDMN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272613643 191823992 /nfs/dbraw/zinc/82/39/92/191823992.db2.gz WVPXFCSVDGPZNQ-GXSJLCMTSA-N 0 1 278.308 2.704 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(C1)CCCCC2 ZINC000273685757 192262217 /nfs/dbraw/zinc/26/22/17/192262217.db2.gz AJVHCZWXWYQJPQ-UHFFFAOYSA-N 0 1 290.319 2.707 20 5 CFBDMN Cc1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c21 ZINC000301868398 201239921 /nfs/dbraw/zinc/23/99/21/201239921.db2.gz GOVDDIYCZUBYPZ-UHFFFAOYSA-N 0 1 283.291 2.787 20 5 CFBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000428661263 239508468 /nfs/dbraw/zinc/50/84/68/239508468.db2.gz RJSFAJKAVXFSBR-UHFFFAOYSA-N 0 1 278.308 2.705 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000263563627 383681363 /nfs/dbraw/zinc/68/13/63/383681363.db2.gz DLNLGTSRLTWPKD-NWDGAFQWSA-N 0 1 292.335 2.761 20 5 CFBDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000443330923 241053069 /nfs/dbraw/zinc/05/30/69/241053069.db2.gz USPMPWQFYMKBPR-JRPNMDOOSA-N 0 1 296.342 2.715 20 5 CFBDMN CC[C@H](C)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444657512 241159838 /nfs/dbraw/zinc/15/98/38/241159838.db2.gz KVRYVMPJXYWDCC-VIFPVBQESA-N 0 1 262.313 2.701 20 5 CFBDMN COC[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000452092838 243041709 /nfs/dbraw/zinc/04/17/09/243041709.db2.gz URJOMLAGCBIZSL-GFCCVEGCSA-N 0 1 296.342 2.982 20 5 CFBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](CCCO)C1 ZINC000452115703 243048918 /nfs/dbraw/zinc/04/89/18/243048918.db2.gz FSPXFQXYYNRRTJ-LLVKDONJSA-N 0 1 298.770 2.843 20 5 CFBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000330600307 203023529 /nfs/dbraw/zinc/02/35/29/203023529.db2.gz HDRCRAGYZZHFNC-MWLCHTKSSA-N 0 1 294.355 2.667 20 5 CFBDMN COCC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000330643533 203070313 /nfs/dbraw/zinc/07/03/13/203070313.db2.gz GYUQXDAZNNQFTB-UHFFFAOYSA-N 0 1 296.342 2.982 20 5 CFBDMN C[C@@H]1CC[C@H](N(CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863676 203327550 /nfs/dbraw/zinc/32/75/50/203327550.db2.gz TXLOMKJWRBFWGQ-YPMHNXCESA-N 0 1 296.342 2.717 20 5 CFBDMN CCOCCOCCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000276228309 193250268 /nfs/dbraw/zinc/25/02/68/193250268.db2.gz JZWFRRLPWFTNTC-CYBMUJFWSA-N 0 1 296.367 2.641 20 5 CFBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC2(C1)CCOCC2 ZINC000459608389 245237802 /nfs/dbraw/zinc/23/78/02/245237802.db2.gz ABLQBITWZFKNNP-HYXAFXHYSA-N 0 1 288.347 2.720 20 5 CFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000003538712 371807399 /nfs/dbraw/zinc/80/73/99/371807399.db2.gz PIKLWVNMWWQPAP-GFCCVEGCSA-N 0 1 291.351 2.654 20 5 CFBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000023991436 372268706 /nfs/dbraw/zinc/26/87/06/372268706.db2.gz PUMFEBRMURYHCN-NEPJUHHUSA-N 0 1 291.351 2.654 20 5 CFBDMN CCCCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000023991744 372269026 /nfs/dbraw/zinc/26/90/26/372269026.db2.gz WJTRQCNAYVHFJE-LLVKDONJSA-N 0 1 279.340 2.654 20 5 CFBDMN CCC[C@@H](N[C@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036793919 372593270 /nfs/dbraw/zinc/59/32/70/372593270.db2.gz FAUAUPAOIKASHM-BXUZGUMPSA-N 0 1 293.367 2.502 20 5 CFBDMN NC1(c2noc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000041153342 372822065 /nfs/dbraw/zinc/82/20/65/372822065.db2.gz AXCDCVPYJLFRKG-UHFFFAOYSA-N 0 1 288.307 2.763 20 5 CFBDMN CC(C)=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744237 373115935 /nfs/dbraw/zinc/11/59/35/373115935.db2.gz GERGKPWOGXOBDQ-UHFFFAOYSA-N 0 1 275.352 2.683 20 5 CFBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964272 373338362 /nfs/dbraw/zinc/33/83/62/373338362.db2.gz LDWJUOADAYILAA-LLVKDONJSA-N 0 1 286.715 2.543 20 5 CFBDMN CCN(Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O ZINC000092982165 375173463 /nfs/dbraw/zinc/17/34/63/375173463.db2.gz MRLCDGMQJIWTAJ-UHFFFAOYSA-N 0 1 286.759 2.841 20 5 CFBDMN COC[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000112988418 375983463 /nfs/dbraw/zinc/98/34/63/375983463.db2.gz OTFSREMLILVPDI-LLVKDONJSA-N 0 1 282.315 2.592 20 5 CFBDMN C[C@@H]1[C@H](C)SCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000118414581 376294513 /nfs/dbraw/zinc/29/45/13/376294513.db2.gz UZVLXEGGDMEVBV-MNOVXSKESA-N 0 1 266.366 2.921 20 5 CFBDMN C[C@@H]1[C@H](C)SCCN1Cc1ccccc1[N+](=O)[O-] ZINC000118415773 376294833 /nfs/dbraw/zinc/29/48/33/376294833.db2.gz AMDOJGITLYVHAJ-MNOVXSKESA-N 0 1 266.366 2.921 20 5 CFBDMN C[C@@H](c1ccco1)N(CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000119226914 376376769 /nfs/dbraw/zinc/37/67/69/376376769.db2.gz VQHIVPNFLBNRCW-NSHDSACASA-N 0 1 290.323 2.610 20 5 CFBDMN CC[C@@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119961704 376516021 /nfs/dbraw/zinc/51/60/21/376516021.db2.gz DHQILTJENQVSNL-GRYCIOLGSA-N 0 1 293.367 2.549 20 5 CFBDMN C[C@]1(NCc2cc([N+](=O)[O-])ccc2Cl)CCOC1 ZINC000120116319 376550131 /nfs/dbraw/zinc/55/01/31/376550131.db2.gz LOTQEDWRXNPCMW-LBPRGKRZSA-N 0 1 270.716 2.517 20 5 CFBDMN CC(C)CO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000120232076 376576171 /nfs/dbraw/zinc/57/61/71/376576171.db2.gz NCHNYHCXLKAQCF-AWEZNQCLSA-N 0 1 278.352 2.842 20 5 CFBDMN CCn1nccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000125219157 377128436 /nfs/dbraw/zinc/12/84/36/377128436.db2.gz BGEMTDNLFGCCLI-NSHDSACASA-N 0 1 274.324 2.662 20 5 CFBDMN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000133503832 377935236 /nfs/dbraw/zinc/93/52/36/377935236.db2.gz QVBCCFYTFRGXFT-BDAKNGLRSA-N 0 1 296.758 2.680 20 5 CFBDMN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000133512215 377935392 /nfs/dbraw/zinc/93/53/92/377935392.db2.gz UFNLPCMDFTZGKL-QMMMGPOBSA-N 0 1 278.287 2.809 20 5 CFBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCC1CC1 ZINC000135254316 378105673 /nfs/dbraw/zinc/10/56/73/378105673.db2.gz UERPCEJOHDGUTB-NSHDSACASA-N 0 1 291.351 2.654 20 5 CFBDMN C[C@@H]1OCC[C@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000149405790 378263395 /nfs/dbraw/zinc/26/33/95/378263395.db2.gz LGUAMCXTKJXXJI-QPUJVOFHSA-N 0 1 270.716 2.515 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000153971910 378527873 /nfs/dbraw/zinc/52/78/73/378527873.db2.gz FNNQXUORARWWQK-CQSZACIVSA-N 0 1 296.754 2.861 20 5 CFBDMN C[C@H]1OCC[C@@H]1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000331234241 378655011 /nfs/dbraw/zinc/65/50/11/378655011.db2.gz KMNMYPMVWPTHFB-PELKAZGASA-N 0 1 269.322 2.711 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2c2nnc[nH]2)cs1 ZINC000331548447 378704282 /nfs/dbraw/zinc/70/42/82/378704282.db2.gz GOWZRTYXDRIYQV-SNVBAGLBSA-N 0 1 293.352 2.502 20 5 CFBDMN CC(C)CC[C@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000332710981 378792752 /nfs/dbraw/zinc/79/27/52/378792752.db2.gz OTABXEDQFZBACR-GFCCVEGCSA-N 0 1 280.372 2.729 20 5 CFBDMN CCc1[nH]nc(C(=O)N2CCCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000278541978 194033945 /nfs/dbraw/zinc/03/39/45/194033945.db2.gz HJZFSNZJCPXTGM-NSHDSACASA-N 0 1 294.355 2.531 20 5 CFBDMN CC(C)c1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000180192498 380630191 /nfs/dbraw/zinc/63/01/91/380630191.db2.gz YKYJVZQPKZSNDD-HNNXBMFYSA-N 0 1 278.352 2.675 20 5 CFBDMN CC(C)c1ccc(CN2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000180192498 380630195 /nfs/dbraw/zinc/63/01/95/380630195.db2.gz YKYJVZQPKZSNDD-HNNXBMFYSA-N 0 1 278.352 2.675 20 5 CFBDMN COCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179972112 380605633 /nfs/dbraw/zinc/60/56/33/380605633.db2.gz TXRYINJKDCWABV-INIZCTEOSA-N 0 1 286.331 2.920 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411935433 381062518 /nfs/dbraw/zinc/06/25/18/381062518.db2.gz HZOJHTRLZLEHTM-RDJZCZTQSA-N 0 1 298.342 2.903 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000354077895 381063216 /nfs/dbraw/zinc/06/32/16/381063216.db2.gz JYMOGVAGYCUFKJ-RYUDHWBXSA-N 0 1 282.365 2.515 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411935434 381064025 /nfs/dbraw/zinc/06/40/25/381064025.db2.gz HZOJHTRLZLEHTM-WBVHZDCISA-N 0 1 298.342 2.903 20 5 CFBDMN CCC1(CC)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000295810789 381090906 /nfs/dbraw/zinc/09/09/06/381090906.db2.gz BODTUSPQGGTYTR-CQSZACIVSA-N 0 1 278.352 2.750 20 5 CFBDMN CC[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000347634052 381268227 /nfs/dbraw/zinc/26/82/27/381268227.db2.gz IYFSAWVFVFCVLT-SECBINFHSA-N 0 1 280.353 2.631 20 5 CFBDMN CC(=O)[C@H](C)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000412997981 381529317 /nfs/dbraw/zinc/52/93/17/381529317.db2.gz JLSSYJNZJWEHCR-QMMMGPOBSA-N 0 1 255.295 2.511 20 5 CFBDMN COc1ccc(CN2CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000342862372 381590147 /nfs/dbraw/zinc/59/01/47/381590147.db2.gz SIXDOTYIBYSEDG-LBPRGKRZSA-N 0 1 264.325 2.834 20 5 CFBDMN CC(=O)c1ccc(N(CCN(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000185441130 381632004 /nfs/dbraw/zinc/63/20/04/381632004.db2.gz KPSURHSJGMENDS-UHFFFAOYSA-N 0 1 293.367 2.574 20 5 CFBDMN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000371765036 381696457 /nfs/dbraw/zinc/69/64/57/381696457.db2.gz JPANXBGNPMVFLT-FRRDWIJNSA-N 0 1 292.335 2.561 20 5 CFBDMN C[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372016699 381735748 /nfs/dbraw/zinc/73/57/48/381735748.db2.gz HWRVGAYQTNHERK-BEAPCOKYSA-N 0 1 288.347 2.794 20 5 CFBDMN CCN1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301282989 382135244 /nfs/dbraw/zinc/13/52/44/382135244.db2.gz PHVNMEJYSDQTFT-SNVBAGLBSA-N 0 1 298.774 2.930 20 5 CFBDMN C[C@H]1CCCCN1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301292717 382140674 /nfs/dbraw/zinc/14/06/74/382140674.db2.gz VQWYIQWABVNLNY-JTQLQIEISA-N 0 1 298.774 2.930 20 5 CFBDMN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCN(C)C1 ZINC000301328729 382148368 /nfs/dbraw/zinc/14/83/68/382148368.db2.gz CTZKZOGDHSVDKK-LLVKDONJSA-N 0 1 283.759 2.779 20 5 CFBDMN Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000377514477 382282629 /nfs/dbraw/zinc/28/26/29/382282629.db2.gz ZNDRHBOSOYEALK-ZFWWWQNUSA-N 0 1 297.314 2.661 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000357583542 382239742 /nfs/dbraw/zinc/23/97/42/382239742.db2.gz QOXOMBDULPXPBS-SNVBAGLBSA-N 0 1 272.308 2.596 20 5 CFBDMN Cc1cc2[nH]ncc2cc1Nc1ncccc1[N+](=O)[O-] ZINC000302728175 382304209 /nfs/dbraw/zinc/30/42/09/382304209.db2.gz QIHJHTFRSCTTSE-UHFFFAOYSA-N 0 1 269.264 2.918 20 5 CFBDMN C[C@@H]1CC[C@@](CO)(N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000187918467 382295970 /nfs/dbraw/zinc/29/59/70/382295970.db2.gz GEDIOYFVSRSUAY-IAQYHMDHSA-N 0 1 296.342 2.717 20 5 CFBDMN CC[C@@H](C)[C@@H](CNCc1csc([N+](=O)[O-])c1)OC ZINC000294164035 382440907 /nfs/dbraw/zinc/44/09/07/382440907.db2.gz IQLLINHXIJJOQY-MWLCHTKSSA-N 0 1 272.370 2.807 20 5 CFBDMN Cc1oncc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000352570689 382399701 /nfs/dbraw/zinc/39/97/01/382399701.db2.gz KXBPZRZCDUFFJW-UHFFFAOYSA-N 0 1 275.308 2.566 20 5 CFBDMN Cc1cnn(C)c1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352754877 382468760 /nfs/dbraw/zinc/46/87/60/382468760.db2.gz KQTXQGMOCRZCRX-GFCCVEGCSA-N 0 1 288.351 2.796 20 5 CFBDMN CCCCN(CCCC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000195421268 382767393 /nfs/dbraw/zinc/76/73/93/382767393.db2.gz XHVWNWTZYOUTJG-UHFFFAOYSA-N 0 1 296.371 2.923 20 5 CFBDMN C=Cn1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000194349790 382741381 /nfs/dbraw/zinc/74/13/81/382741381.db2.gz MMTZKCYCFIBYGJ-NSHDSACASA-N 0 1 272.308 2.743 20 5 CFBDMN CCn1cc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000231884454 382867423 /nfs/dbraw/zinc/86/74/23/382867423.db2.gz LBXVMHQOYISLIQ-GFCCVEGCSA-N 0 1 288.351 2.970 20 5 CFBDMN O=C(NC1(C2CCC2)CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000458229362 383137631 /nfs/dbraw/zinc/13/76/31/383137631.db2.gz COJVBVGDUAOFKJ-UHFFFAOYSA-N 0 1 290.319 2.753 20 5 CFBDMN CC[C@@H]1CN(CC)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000519521745 383219985 /nfs/dbraw/zinc/21/99/85/383219985.db2.gz DMTVIGGYMOXKEN-LLVKDONJSA-N 0 1 298.774 2.564 20 5 CFBDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000568068295 383353772 /nfs/dbraw/zinc/35/37/72/383353772.db2.gz IAAFIDRLQGVVLE-UHFFFAOYSA-N 0 1 280.324 2.528 20 5 CFBDMN CO[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255341272 383479679 /nfs/dbraw/zinc/47/96/79/383479679.db2.gz VSYPCYHFNRVHRN-HJHHMULASA-N 0 1 276.336 2.719 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CCN(CC1CC(F)(F)C1)C2 ZINC000570131967 383574462 /nfs/dbraw/zinc/57/44/62/383574462.db2.gz GHBOUYWRRXHRRG-UHFFFAOYSA-N 0 1 282.290 2.998 20 5 CFBDMN CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452523145 383753701 /nfs/dbraw/zinc/75/37/01/383753701.db2.gz FMOKFSQXSGFLOC-GHMZBOCLSA-N 0 1 292.335 2.857 20 5 CFBDMN CC1(C)CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1O ZINC000438334598 383985053 /nfs/dbraw/zinc/98/50/53/383985053.db2.gz MAJXFSABONEWND-ZQMJAJRESA-N 0 1 290.363 2.701 20 5 CFBDMN CC(C)N1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266525351 384190941 /nfs/dbraw/zinc/19/09/41/384190941.db2.gz KCDDFBDMDFMYCG-ZDUSSCGKSA-N 0 1 277.368 2.682 20 5 CFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCO[C@@H](C)C1 ZINC000266780844 384237097 /nfs/dbraw/zinc/23/70/97/384237097.db2.gz ZUPXWOVHMCAFMJ-NWDGAFQWSA-N 0 1 264.325 2.767 20 5 CFBDMN O=[N+]([O-])c1ccc(CN(CCO)C2CCCCC2)c(F)c1 ZINC000266997295 384275528 /nfs/dbraw/zinc/27/55/28/384275528.db2.gz FFOKEXVROFXRPJ-UHFFFAOYSA-N 0 1 296.342 2.861 20 5 CFBDMN CCN(Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000267022137 384280357 /nfs/dbraw/zinc/28/03/57/384280357.db2.gz KNTMDKXWQCKDBA-UHFFFAOYSA-N 0 1 252.289 2.966 20 5 CFBDMN COC1CC(N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000352220800 220299951 /nfs/dbraw/zinc/29/99/51/220299951.db2.gz JXAJBTWOFXLTLV-UHFFFAOYSA-N 0 1 284.743 2.857 20 5 CFBDMN O=[N+]([O-])c1ccc2c(c1)CN(CC1CCC1)CCO2 ZINC000352681469 285142110 /nfs/dbraw/zinc/14/21/10/285142110.db2.gz XJOJMHZCJXJDQM-UHFFFAOYSA-N 0 1 262.309 2.589 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280265472 384950416 /nfs/dbraw/zinc/95/04/16/384950416.db2.gz YADZXVPRVXJDDS-SWLSCSKDSA-N 0 1 278.352 2.893 20 5 CFBDMN CCc1nc([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000270639927 385173261 /nfs/dbraw/zinc/17/32/61/385173261.db2.gz HYMZTQYGHHXBST-SECBINFHSA-N 0 1 275.312 2.757 20 5 CFBDMN C[C@H](c1cnccn1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282405241 385302574 /nfs/dbraw/zinc/30/25/74/385302574.db2.gz IDGBFFXZWOZKNB-GFCCVEGCSA-N 0 1 286.335 2.620 20 5 CFBDMN COc1ccc(CN2CC[C@H](OC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000282464262 385317773 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O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2C[C@H](O)C23CCC3)c1 ZINC000850388572 633972280 /nfs/dbraw/zinc/97/22/80/633972280.db2.gz OCVVNSYSXDUFJG-OLZOCXBDSA-N 0 1 296.754 2.641 20 5 CFBDMN CCCN[C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000109504872 634070084 /nfs/dbraw/zinc/07/00/84/634070084.db2.gz HLIXHSBVEVQAPH-SECBINFHSA-N 0 1 276.296 2.705 20 5 CFBDMN CC(=O)c1ccc2ccccc2c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000857649226 636002099 /nfs/dbraw/zinc/00/20/99/636002099.db2.gz QJMHUIUUWGWRKB-ZIAGYGMSSA-N 0 1 298.298 2.646 20 5 CFBDMN C[C@@H]1C[C@H](c2ccccc2)CN1Cn1cc([N+](=O)[O-])cn1 ZINC000115512230 636017817 /nfs/dbraw/zinc/01/78/17/636017817.db2.gz MHAHSKNSWUTBFS-OCCSQVGLSA-N 0 1 286.335 2.627 20 5 CFBDMN CCO[C@@]1(C)C[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000858257424 636168383 /nfs/dbraw/zinc/16/83/83/636168383.db2.gz LTTNSCAZEBZWAN-OLZOCXBDSA-N 0 1 284.743 2.905 20 5 CFBDMN O=C(O[C@@H]1CCCc2ccc(Cl)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000861402724 637190878 /nfs/dbraw/zinc/19/08/78/637190878.db2.gz FFIIDFMQXLNUHT-JHJVBQTASA-N 0 1 295.722 2.926 20 5 CFBDMN CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccccc21 ZINC000862961969 637527959 /nfs/dbraw/zinc/52/79/59/637527959.db2.gz FSWCTFAIDOPRGY-LJISPDSOSA-N 0 1 288.347 2.652 20 5 CFBDMN CCc1ncc(CNCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000865788039 638574502 /nfs/dbraw/zinc/57/45/02/638574502.db2.gz XIOWVFUUMQVXSC-UHFFFAOYSA-N 0 1 286.335 2.545 20 5 CFBDMN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000866540203 638838692 /nfs/dbraw/zinc/83/86/92/638838692.db2.gz KYQCOUXLKAJOCJ-CQSZACIVSA-N 0 1 288.351 2.878 20 5 CFBDMN CC[C@@H](COC)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037655 641570775 /nfs/dbraw/zinc/57/07/75/641570775.db2.gz HJURBKPODZJWHS-ZJUUUORDSA-N 0 1 270.304 2.810 20 5 CFBDMN C[C@@H](N[C@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051347 641584878 /nfs/dbraw/zinc/58/48/78/641584878.db2.gz JJZBGQJIGBEBLQ-KOLCDFICSA-N 0 1 282.315 2.546 20 5 CFBDMN C[C@H](C[C@H](C)O)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872059856 641593553 /nfs/dbraw/zinc/59/35/53/641593553.db2.gz JCOBYAWMWIRFBT-KXUCPTDWSA-N 0 1 270.304 2.544 20 5 CFBDMN CC(C)[C@H](CO)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071147 641601904 /nfs/dbraw/zinc/60/19/04/641601904.db2.gz LALSCIXDZLLQLA-QWRGUYRKSA-N 0 1 284.331 2.649 20 5 CFBDMN C[C@H](N[C@@H](CO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074161 641605488 /nfs/dbraw/zinc/60/54/88/641605488.db2.gz YDSKRWCLCSAAMS-GWCFXTLKSA-N 0 1 296.342 2.936 20 5 CFBDMN C[C@H](NCC1=CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074696 641605910 /nfs/dbraw/zinc/60/59/10/641605910.db2.gz GMTNAYVVPQYPRK-JTQLQIEISA-N 0 1 280.299 2.731 20 5 CFBDMN C[C@@H](N[C@@H](CO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074163 641606223 /nfs/dbraw/zinc/60/62/23/641606223.db2.gz YDSKRWCLCSAAMS-MFKMUULPSA-N 0 1 296.342 2.936 20 5 CFBDMN C[C@H](NCCC1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077034 641609540 /nfs/dbraw/zinc/60/95/40/641609540.db2.gz XTADWNNHPFTYPX-JTQLQIEISA-N 0 1 282.315 2.547 20 5 CFBDMN C[C@H](N[C@@H](C)C1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086811 641620639 /nfs/dbraw/zinc/62/06/39/641620639.db2.gz ZRKLIINZDFEZFQ-UWVGGRQHSA-N 0 1 282.315 2.546 20 5 CFBDMN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089730 641623789 /nfs/dbraw/zinc/62/37/89/641623789.db2.gz CVXSCBNFUAGWAZ-CHIMOYNISA-N 0 1 294.326 2.952 20 5 CFBDMN CC(C)(O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877836022 643603909 /nfs/dbraw/zinc/60/39/09/643603909.db2.gz LEMOXPSOXVNXBT-LLVKDONJSA-N 0 1 298.770 2.841 20 5 CFBDMN CC[C@@](C)(NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000878362212 643859801 /nfs/dbraw/zinc/85/98/01/643859801.db2.gz PHKYLMVHJCLBKO-OAHLLOKOSA-N 0 1 288.351 2.743 20 5 CFBDMN Cc1nn(CN2C[C@@H](C)CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000247186997 650899760 /nfs/dbraw/zinc/89/97/60/650899760.db2.gz SJYOHVZHORUDHY-WDEREUQCSA-N 0 1 280.372 2.876 20 5 CFBDMN CCOc1cc(CN2CC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000880299399 644639635 /nfs/dbraw/zinc/63/96/35/644639635.db2.gz SERHGOVIPOLRMS-GFCCVEGCSA-N 0 1 282.315 2.785 20 5 CFBDMN CCC[C@H](C)[C@@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000130787132 645570393 /nfs/dbraw/zinc/57/03/93/645570393.db2.gz ILIVNWQHJIYPDE-AAEUAGOBSA-N 0 1 266.345 2.649 20 5 CFBDMN C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000886133874 646888901 /nfs/dbraw/zinc/88/89/01/646888901.db2.gz CZUNODJYDGRYPA-LLVKDONJSA-N 0 1 263.341 2.858 20 5 CFBDMN C[C@]12CCCC[C@H]1CN2Cc1cccnc1[N+](=O)[O-] ZINC000886302805 646960010 /nfs/dbraw/zinc/96/00/10/646960010.db2.gz WVSYVMSWOSIFDA-JSGCOSHPSA-N 0 1 261.325 2.754 20 5 CFBDMN C[C@H](N[C@@H](C)c1ccnnc1)c1ccc([N+](=O)[O-])cc1 ZINC000926493022 648508428 /nfs/dbraw/zinc/50/84/28/648508428.db2.gz MPWMFNBRDXJWSS-QWRGUYRKSA-N 0 1 272.308 2.797 20 5 CFBDMN CCC[C@@H](O)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000927023502 648687054 /nfs/dbraw/zinc/68/70/54/648687054.db2.gz UIYKIDKDWAFGFR-GHMZBOCLSA-N 0 1 284.331 2.936 20 5 CFBDMN O=C(NC[C@@]12C[C@@H]1CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000927433000 648777140 /nfs/dbraw/zinc/77/71/40/648777140.db2.gz BXBSEJVZESYGLU-XHDPSFHLSA-N 0 1 290.319 2.611 20 5 CFBDMN CCOc1ccc(CN(CC[N+](=O)[O-])C(C)C)cc1 ZINC000929394058 649044206 /nfs/dbraw/zinc/04/42/06/649044206.db2.gz PSVXJYQSMDZGTN-UHFFFAOYSA-N 0 1 266.341 2.572 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCc2nccc(N)c2C1 ZINC000931512900 649444900 /nfs/dbraw/zinc/44/49/00/649444900.db2.gz UBPLFZJYLNYDOQ-NSHDSACASA-N 0 1 298.346 2.691 20 5 CFBDMN Cc1ccc(CN2CCO[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000932334214 649578788 /nfs/dbraw/zinc/57/87/88/649578788.db2.gz AHSXMLPVKKSYSP-GFCCVEGCSA-N 0 1 264.325 2.514 20 5 CFBDMN C[C@H](COC(C)(C)C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225488508 775476681 /nfs/dbraw/zinc/47/66/81/775476681.db2.gz HAMQMERCJLRQQG-SECBINFHSA-N 0 1 269.297 2.883 20 5 CFBDMN C[C@H](Cc1ccco1)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490669 775478195 /nfs/dbraw/zinc/47/81/95/775478195.db2.gz JKGNJPJRAZEKGR-SECBINFHSA-N 0 1 263.249 2.903 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H]1CC(F)(F)C1(F)F ZINC001225494034 775479985 /nfs/dbraw/zinc/47/99/85/775479985.db2.gz JZECQUKAYVSSQR-QMMMGPOBSA-N 0 1 281.161 2.722 20 5 CFBDMN CC(C)N1CC[C@@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226006243 775664701 /nfs/dbraw/zinc/66/47/01/775664701.db2.gz AUBGUTGFCCZKLX-SNVBAGLBSA-N 0 1 268.288 2.595 20 5 CFBDMN CCN1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226257470 775759023 /nfs/dbraw/zinc/75/90/23/775759023.db2.gz FLUNNTMOQRITJD-JTQLQIEISA-N 0 1 285.731 2.506 20 5 CFBDMN CCN1CCC(Oc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC001226290972 775768870 /nfs/dbraw/zinc/76/88/70/775768870.db2.gz AYHLKSSIAMVSAV-UHFFFAOYSA-N 0 1 292.335 2.661 20 5 CFBDMN CC(C)[N@H+]1CCC[C@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226365113 775791611 /nfs/dbraw/zinc/79/16/11/775791611.db2.gz YPXHMJUJOHPJDV-JTQLQIEISA-N 0 1 299.758 2.895 20 5 CFBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2C=CCCC2)[nH]1 ZINC001227096003 776093629 /nfs/dbraw/zinc/09/36/29/776093629.db2.gz MUEHUWNDIOQDDP-JTQLQIEISA-N 0 1 287.275 2.731 20 5 CFBDMN Cc1cc(C)c(O[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC001228229186 776427597 /nfs/dbraw/zinc/42/75/97/776427597.db2.gz FNLDGAJRTGJCBH-GFCCVEGCSA-N 0 1 264.325 2.685 20 5 CFBDMN CC[C@H](C)[C@H](C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604858 776536993 /nfs/dbraw/zinc/53/69/93/776536993.db2.gz XEMUIZSMQOVSIF-YUMQZZPRSA-N 0 1 281.312 2.781 20 5 CFBDMN CCC(CC)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604390 776537481 /nfs/dbraw/zinc/53/74/81/776537481.db2.gz QXAPTSFZORRLDG-UHFFFAOYSA-N 0 1 267.285 2.535 20 5 CFBDMN O=c1[nH]c(C2CC2)nc(O[C@@H]2CCCC[C@H]2F)c1[N+](=O)[O-] ZINC001228609153 776538709 /nfs/dbraw/zinc/53/87/09/776538709.db2.gz ABUYXOIEHUSVFB-RKDXNWHRSA-N 0 1 297.286 2.627 20 5 CFBDMN CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCN(CC)C1 ZINC001229176650 776743583 /nfs/dbraw/zinc/74/35/83/776743583.db2.gz AUWNGDBARYIYHL-LBPRGKRZSA-N 0 1 292.335 2.661 20 5 CFBDMN Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCCN(C)C1 ZINC001229198790 776749273 /nfs/dbraw/zinc/74/92/73/776749273.db2.gz QEXSYHJUMFNOAZ-LLVKDONJSA-N 0 1 268.288 2.515 20 5 CFBDMN CC[C@H](C)CC[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382242 776797021 /nfs/dbraw/zinc/79/70/21/776797021.db2.gz QSUCBPHBWFSPJU-DTWKUNHWSA-N 0 1 283.328 2.992 20 5 CFBDMN CCCCC[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382607 776797034 /nfs/dbraw/zinc/79/70/34/776797034.db2.gz VBWIQIHVYSJLQN-MRVPVSSYSA-N 0 1 269.301 2.746 20 5 CFBDMN C[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CO1 ZINC000402069329 776829368 /nfs/dbraw/zinc/82/93/68/776829368.db2.gz YKQZPMZOJPNVAL-LDYMZIIASA-N 0 1 270.716 2.515 20 5 CFBDMN Cc1cc([O-])c(O[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001229755693 776889044 /nfs/dbraw/zinc/88/90/44/776889044.db2.gz ZMLBQNSNADDBOF-LBPRGKRZSA-N 0 1 294.351 2.860 20 5 CFBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC1CCSCC1 ZINC001230595098 777022068 /nfs/dbraw/zinc/02/20/68/777022068.db2.gz JFSPAGMWVJGPNW-UHFFFAOYSA-N 0 1 279.321 2.746 20 5 CFBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001230601547 777023544 /nfs/dbraw/zinc/02/35/44/777023544.db2.gz OAXHXDFGQOKQLE-RWEMILLDSA-N 0 1 271.276 2.815 20 5 CFBDMN CCN1CCC[C@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230880180 777080462 /nfs/dbraw/zinc/08/04/62/777080462.db2.gz ZDVSUBXWYZIBOB-VIFPVBQESA-N 0 1 285.731 2.506 20 5 CFBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCC[C@@H]2C)n1 ZINC001231258592 777178440 /nfs/dbraw/zinc/17/84/40/777178440.db2.gz ADOZGMLXSJUCLL-XVKPBYJWSA-N 0 1 252.270 2.571 20 5 CFBDMN CCCC(=O)[C@@H](CCC)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231261213 777179862 /nfs/dbraw/zinc/17/98/62/777179862.db2.gz ZKHNSYRBNUKUIV-GFCCVEGCSA-N 0 1 296.323 2.921 20 5 CFBDMN CCCC[C@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231260763 777180256 /nfs/dbraw/zinc/18/02/56/777180256.db2.gz WSRVLRZEWAUCCJ-VIFPVBQESA-N 0 1 254.286 2.961 20 5 CFBDMN CC[C@@H](C)[C@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231262416 777180456 /nfs/dbraw/zinc/18/04/56/777180456.db2.gz GGVVQNCMLHCAMN-APPZFPTMSA-N 0 1 254.286 2.817 20 5 CFBDMN Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001233558089 777990351 /nfs/dbraw/zinc/99/03/51/777990351.db2.gz YPRRSIQJOQZUQW-GFCCVEGCSA-N 0 1 279.340 2.550 20 5 CFBDMN CC(C)N1CC[C@H](Oc2c(F)cc(F)cc2[N+](=O)[O-])C1 ZINC001233698303 778044608 /nfs/dbraw/zinc/04/46/08/778044608.db2.gz ITEWHKBDJHAFKE-JTQLQIEISA-N 0 1 286.278 2.735 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CC[C@H]3COC[C@@H]3C2)ccc1Cl ZINC000700636531 780711522 /nfs/dbraw/zinc/71/15/22/780711522.db2.gz WRCBAMHLMFVOPG-RYUDHWBXSA-N 0 1 296.754 2.717 20 5 CFBDMN O=C([O-])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000594539931 349443435 /nfs/dbraw/zinc/44/34/35/349443435.db2.gz KIJRZOOYPXOIOE-UHFFFAOYSA-N 0 1 298.726 2.687 20 5 CFBDMN O=C([O-])C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000594540415 349443660 /nfs/dbraw/zinc/44/36/60/349443660.db2.gz YAMSBKGEHLYUHR-XQRVVYSFSA-N 0 1 290.319 2.547 20 5 CFBDMN C[C@H]1CCC[C@@H](CNCc2csc([N+](=O)[O-])c2)O1 ZINC000594983561 349539116 /nfs/dbraw/zinc/53/91/16/349539116.db2.gz FKIHJHVPYCFTLO-ONGXEEELSA-N 0 1 270.354 2.704 20 5 CFBDMN C[C@@H](O)[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595007019 349546504 /nfs/dbraw/zinc/54/65/04/349546504.db2.gz OJGWLVBCSSYPPY-WBMJQRKESA-N 0 1 286.331 2.807 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCOC(C)C ZINC000595034526 349558401 /nfs/dbraw/zinc/55/84/01/349558401.db2.gz WZEHKSAFIFVQOO-NSHDSACASA-N 0 1 282.340 2.679 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCOC(C)C ZINC000595034525 349558106 /nfs/dbraw/zinc/55/81/06/349558106.db2.gz WZEHKSAFIFVQOO-LLVKDONJSA-N 0 1 282.340 2.679 20 5 CFBDMN CO[C@H](CNCc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000594995699 349542371 /nfs/dbraw/zinc/54/23/71/349542371.db2.gz TYKJAJGENCZCBW-GFCCVEGCSA-N 0 1 284.381 2.951 20 5 CFBDMN Cc1noc(CN2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000595336551 349604770 /nfs/dbraw/zinc/60/47/70/349604770.db2.gz ZSZATROKOHKVHG-RKDXNWHRSA-N 0 1 253.302 2.512 20 5 CFBDMN CCC[C@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595339901 349604994 /nfs/dbraw/zinc/60/49/94/349604994.db2.gz RBDCHPTZUFIEAI-NSHDSACASA-N 0 1 267.329 2.903 20 5 CFBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000595391778 349615119 /nfs/dbraw/zinc/61/51/19/349615119.db2.gz AVOKOWBFMPSDGG-LLVKDONJSA-N 0 1 270.329 2.671 20 5 CFBDMN C[C@@]1(CCCO)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595409586 349617918 /nfs/dbraw/zinc/61/79/18/349617918.db2.gz XSQMYDFRJVCFHX-HNNXBMFYSA-N 0 1 296.342 2.861 20 5 CFBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCC[C@@H]1O ZINC000595428112 349623611 /nfs/dbraw/zinc/62/36/11/349623611.db2.gz LZRLGAZEIDJTPB-DOMZBBRYSA-N 0 1 296.342 2.717 20 5 CFBDMN CN(C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC000068658680 346863005 /nfs/dbraw/zinc/86/30/05/346863005.db2.gz DTWMPGSTRHWDNR-JTQLQIEISA-N 0 1 281.337 2.964 20 5 CFBDMN Cc1noc(CN[C@@H]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000595450849 349630679 /nfs/dbraw/zinc/63/06/79/349630679.db2.gz DQDKCJNPPYPGDK-SNVBAGLBSA-N 0 1 253.302 2.560 20 5 CFBDMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1onc(C)c1[N+](=O)[O-] ZINC000595454962 349631394 /nfs/dbraw/zinc/63/13/94/349631394.db2.gz PLKHSVVDPGKZKV-NWDGAFQWSA-N 0 1 297.355 2.575 20 5 CFBDMN Cc1noc(CN2C[C@H](C)C[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000595456782 349632566 /nfs/dbraw/zinc/63/25/66/349632566.db2.gz GFGWTOHOHCCTOT-KKZNHRDASA-N 0 1 267.329 2.758 20 5 CFBDMN CCC[C@]1(COC)CCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595462498 349634616 /nfs/dbraw/zinc/63/46/16/349634616.db2.gz VTWCLBCFSDFIGY-CQSZACIVSA-N 0 1 297.355 2.672 20 5 CFBDMN C[C@@H](CO)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CCC1 ZINC000595467932 349635955 /nfs/dbraw/zinc/63/59/55/349635955.db2.gz VGXUTTFACVGOBL-NSHDSACASA-N 0 1 296.342 2.717 20 5 CFBDMN Cc1noc(CN2CCC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000595494923 349642758 /nfs/dbraw/zinc/64/27/58/349642758.db2.gz DUNPHZYIKMHDOC-LLVKDONJSA-N 0 1 265.313 2.513 20 5 CFBDMN C[C@H](CO)C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595558708 349658869 /nfs/dbraw/zinc/65/88/69/349658869.db2.gz PMQIUBHEIWHMQZ-LLVKDONJSA-N 0 1 296.342 2.574 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1cnc[nH]1 ZINC000595593676 349667729 /nfs/dbraw/zinc/66/77/29/349667729.db2.gz YBVDOBMPQKRQTP-NSHDSACASA-N 0 1 274.324 2.819 20 5 CFBDMN C[C@@H](CO)[C@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595673034 349695599 /nfs/dbraw/zinc/69/55/99/349695599.db2.gz JHYMVQQLLGQXEK-SMDDNHRTSA-N 0 1 296.342 2.717 20 5 CFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755776 349723884 /nfs/dbraw/zinc/72/38/84/349723884.db2.gz QDYHPTPIYTVAOM-LLVKDONJSA-N 0 1 282.315 2.872 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1CCC(c2ccon2)CC1 ZINC000595833741 349746810 /nfs/dbraw/zinc/74/68/10/349746810.db2.gz LRAWOADWYRDQRX-UHFFFAOYSA-N 0 1 287.319 2.962 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3COC[C@@H]3C2)c(Cl)c1 ZINC000595830896 349745960 /nfs/dbraw/zinc/74/59/60/349745960.db2.gz MWRRSLMUNUHSPJ-RYUDHWBXSA-N 0 1 296.754 2.717 20 5 CFBDMN C[C@]12COC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595756877 349725448 /nfs/dbraw/zinc/72/54/48/349725448.db2.gz HCPZQKALWOXYNU-RISCZKNCSA-N 0 1 296.754 2.717 20 5 CFBDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000595886883 349761714 /nfs/dbraw/zinc/76/17/14/349761714.db2.gz PAYQONABLTUWMJ-UHFFFAOYSA-N 0 1 298.314 2.667 20 5 CFBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595907622 349766725 /nfs/dbraw/zinc/76/67/25/349766725.db2.gz CFWLHHPLUMFAPZ-LLVKDONJSA-N 0 1 264.325 2.778 20 5 CFBDMN CCOc1cc(CN2CC3CC2(C)C3)ccc1[N+](=O)[O-] ZINC000595920808 349770074 /nfs/dbraw/zinc/77/00/74/349770074.db2.gz WWWAGABMMSPXDO-UHFFFAOYSA-N 0 1 276.336 2.978 20 5 CFBDMN CCn1nccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000596092426 349792773 /nfs/dbraw/zinc/79/27/73/349792773.db2.gz AAHRTDQZSRWWKO-CQSZACIVSA-N 0 1 286.335 2.588 20 5 CFBDMN CC(C)CN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000072521791 346927396 /nfs/dbraw/zinc/92/73/96/346927396.db2.gz 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CCn1nccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119482368 347802212 /nfs/dbraw/zinc/80/22/12/347802212.db2.gz BDDCAQPZCLEZTH-LBPRGKRZSA-N 0 1 288.351 2.970 20 5 CFBDMN Cc1cncc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000123224167 347818956 /nfs/dbraw/zinc/81/89/56/347818956.db2.gz XTMBYPVUISBIFN-UHFFFAOYSA-N 0 1 257.293 2.588 20 5 CFBDMN CCN1CCC[C@H]1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000311618681 348413804 /nfs/dbraw/zinc/41/38/04/348413804.db2.gz RZHSXELTTVYASV-VIFPVBQESA-N 0 1 284.747 2.539 20 5 CFBDMN C[C@@H]1CSC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000586779986 348751377 /nfs/dbraw/zinc/75/13/77/348751377.db2.gz RZEOZABMDPQJOW-LDYMZIIASA-N 0 1 293.348 2.577 20 5 CFBDMN Cc1nc(C)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000589266296 348822994 /nfs/dbraw/zinc/82/29/94/348822994.db2.gz HSTNAGQDDKHGTK-UHFFFAOYSA-N 0 1 289.335 2.874 20 5 CFBDMN Cc1nc(C)c(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000589266296 348822999 /nfs/dbraw/zinc/82/29/99/348822999.db2.gz HSTNAGQDDKHGTK-UHFFFAOYSA-N 0 1 289.335 2.874 20 5 CFBDMN CC[C@H]1CCCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496850 348836357 /nfs/dbraw/zinc/83/63/57/348836357.db2.gz QWFYCZQVBNTFDI-ZDUSSCGKSA-N 0 1 292.335 2.756 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1C1(O)CC1 ZINC000590969013 348974650 /nfs/dbraw/zinc/97/46/50/348974650.db2.gz ZGONYARXNYQUDI-CQSZACIVSA-N 0 1 294.326 2.613 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CC3(CCC3)[C@H]3COC[C@H]32)c1 ZINC000590970294 348974862 /nfs/dbraw/zinc/97/48/62/348974862.db2.gz IBIHHTLPXZSPFU-LSDHHAIUSA-N 0 1 288.347 2.596 20 5 CFBDMN O=[N+]([O-])c1ccc2c(-c3nc([C@@H]4CCCN4)no3)c[nH]c2c1 ZINC000592357150 349107574 /nfs/dbraw/zinc/10/75/74/349107574.db2.gz RHKRDIYULCRXNJ-NSHDSACASA-N 0 1 299.290 2.551 20 5 CFBDMN CN(CCC(C)(C)C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592144926 349090160 /nfs/dbraw/zinc/09/01/60/349090160.db2.gz QENQKGOHXQOCDB-UHFFFAOYSA-N 0 1 293.367 2.901 20 5 CFBDMN CC[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000593063852 349199526 /nfs/dbraw/zinc/19/95/26/349199526.db2.gz PLKWTEWSTYPDEK-SWLSCSKDSA-N 0 1 278.352 2.637 20 5 CFBDMN C[C@@H](CO)C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000593082822 349204016 /nfs/dbraw/zinc/20/40/16/349204016.db2.gz IIYOJEDAOVGPLY-NSHDSACASA-N 0 1 296.342 2.574 20 5 CFBDMN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593091313 349206302 /nfs/dbraw/zinc/20/63/02/349206302.db2.gz FVPOBKVZTWCWOU-CYBMUJFWSA-N 0 1 290.363 2.781 20 5 CFBDMN Cc1c(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000593746493 349319846 /nfs/dbraw/zinc/31/98/46/349319846.db2.gz QCYLDKTVDRAIKD-AWEZNQCLSA-N 0 1 294.351 2.834 20 5 CFBDMN COc1ccc(CNCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000106468909 186119460 /nfs/dbraw/zinc/11/94/60/186119460.db2.gz XGYIFGWYJDQHED-UHFFFAOYSA-N 0 1 288.303 2.599 20 5 CFBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000600676659 350595592 /nfs/dbraw/zinc/59/55/92/350595592.db2.gz ZFVIIIRIFYMJBU-PTEHBNRSSA-N 0 1 292.335 2.668 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCCOC2)c1 ZINC000109544643 186261997 /nfs/dbraw/zinc/26/19/97/186261997.db2.gz SMUXRWRBUMFSKD-JTQLQIEISA-N 0 1 270.716 2.517 20 5 CFBDMN Cc1[nH]ncc1CN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000601181250 350690850 /nfs/dbraw/zinc/69/08/50/350690850.db2.gz HLWZNGDPTWQFAB-UHFFFAOYSA-N 0 1 260.297 2.571 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(CCF)CC1 ZINC000601746992 350771750 /nfs/dbraw/zinc/77/17/50/350771750.db2.gz GKKJCNDDOZWZME-UHFFFAOYSA-N 0 1 296.298 2.512 20 5 CFBDMN C[C@@H](CC1CCC1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000601868149 350794685 /nfs/dbraw/zinc/79/46/85/350794685.db2.gz FYZJEGUVKVXDOL-VIFPVBQESA-N 0 1 278.308 2.609 20 5 CFBDMN C[C@H]1CCC2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000601935834 350808395 /nfs/dbraw/zinc/80/83/95/350808395.db2.gz ZRXVNFMXYCGILK-JOYOIKCWSA-N 0 1 273.292 2.734 20 5 CFBDMN C[C@H]1CCc2[nH]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C1 ZINC000601935834 350808399 /nfs/dbraw/zinc/80/83/99/350808399.db2.gz ZRXVNFMXYCGILK-JOYOIKCWSA-N 0 1 273.292 2.734 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)[C@@H](C)CC2 ZINC000601944233 350812630 /nfs/dbraw/zinc/81/26/30/350812630.db2.gz XJZMGVKKWXMARR-SDBXPKJASA-N 0 1 273.292 2.652 20 5 CFBDMN C[C@@H](O)C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111287978 186390604 /nfs/dbraw/zinc/39/06/04/186390604.db2.gz UUXUAOPJAITXOD-VXGBXAGGSA-N 0 1 278.352 2.749 20 5 CFBDMN CC(C)OCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602498916 350906224 /nfs/dbraw/zinc/90/62/24/350906224.db2.gz MGAFLSNQZACJIJ-UHFFFAOYSA-N 0 1 293.323 2.641 20 5 CFBDMN CCCCCN(Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602438611 350882826 /nfs/dbraw/zinc/88/28/26/350882826.db2.gz GKNDGEMGBMUAQU-UHFFFAOYSA-N 0 1 268.361 2.729 20 5 CFBDMN C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CS1 ZINC000602690036 350980795 /nfs/dbraw/zinc/98/07/95/350980795.db2.gz JNTLNUDBUAIEHS-BDAKNGLRSA-N 0 1 293.348 2.720 20 5 CFBDMN CC(C)N(Cc1cn(C)nc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000602837288 351040607 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ZINC000330907221 203378657 /nfs/dbraw/zinc/37/86/57/203378657.db2.gz NPOJPKNBXWTFCP-VXGBXAGGSA-N 0 1 291.351 2.715 20 5 CFBDMN CN(CCc1ccccn1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276491629 193353632 /nfs/dbraw/zinc/35/36/32/193353632.db2.gz ASUCUJVZSIJWDO-UHFFFAOYSA-N 0 1 289.310 2.803 20 5 CFBDMN CCO[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459641244 245255486 /nfs/dbraw/zinc/25/54/86/245255486.db2.gz YISNJIYBRQEFDW-KLPPZKSPSA-N 0 1 284.743 2.905 20 5 CFBDMN CCCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000023991612 372268233 /nfs/dbraw/zinc/26/82/33/372268233.db2.gz HMXMAKDPSMVALF-UHFFFAOYSA-N 0 1 299.758 2.919 20 5 CFBDMN CCC(C)(C)[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000332647509 204854891 /nfs/dbraw/zinc/85/48/91/204854891.db2.gz BZXNPBHQGSOEFO-JTQLQIEISA-N 0 1 294.355 2.667 20 5 CFBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000048579953 373202719 /nfs/dbraw/zinc/20/27/19/373202719.db2.gz NDZIXYLQZFEUDJ-UHFFFAOYSA-N 0 1 297.742 2.529 20 5 CFBDMN COc1ccc(CN2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000076015457 374520142 /nfs/dbraw/zinc/52/01/42/374520142.db2.gz CODHKYMXOBNYKL-UHFFFAOYSA-N 0 1 264.325 2.835 20 5 CFBDMN Cc1nnsc1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000492379642 246273362 /nfs/dbraw/zinc/27/33/62/246273362.db2.gz XTPNDHQKOQKJPK-GQCTYLIASA-N 0 1 290.348 2.558 20 5 CFBDMN CCn1cncc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090172318 374996505 /nfs/dbraw/zinc/99/65/05/374996505.db2.gz HIEFQMWDZJLVKQ-NSHDSACASA-N 0 1 274.324 2.662 20 5 CFBDMN CC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774139 375377926 /nfs/dbraw/zinc/37/79/26/375377926.db2.gz TYBPOWVYLCUMIA-UHFFFAOYSA-N 0 1 252.289 2.966 20 5 CFBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000119969837 376516776 /nfs/dbraw/zinc/51/67/76/376516776.db2.gz WNUJSKWMLPOHAW-LBPRGKRZSA-N 0 1 299.330 2.884 20 5 CFBDMN COCCCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153073962 378471897 /nfs/dbraw/zinc/47/18/97/378471897.db2.gz KTCBOQGRKUMTSP-UHFFFAOYSA-N 0 1 278.352 2.770 20 5 CFBDMN C[C@H]1N(CCc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000331072305 378626712 /nfs/dbraw/zinc/62/67/12/378626712.db2.gz SSICZMGOFJSZAO-GFCCVEGCSA-N 0 1 278.352 2.637 20 5 CFBDMN C[C@@H]1[C@@H](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331417854 378686519 /nfs/dbraw/zinc/68/65/19/378686519.db2.gz DJNGOVAPHQZTGW-VHSXEESVSA-N 0 1 274.324 2.701 20 5 CFBDMN C[C@H]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000332261161 378741326 /nfs/dbraw/zinc/74/13/26/378741326.db2.gz CEFSSXNROLNPKW-CMPLNLGQSA-N 0 1 292.335 2.999 20 5 CFBDMN CC(C)CCCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159670172 378723329 /nfs/dbraw/zinc/72/33/29/378723329.db2.gz JVYYHIQITPWVBL-UHFFFAOYSA-N 0 1 282.344 2.654 20 5 CFBDMN O=[N+]([O-])c1ccc2c(c1)CN(CC[C@H]1CCCO1)CC2 ZINC000332112454 378726885 /nfs/dbraw/zinc/72/68/85/378726885.db2.gz CAOXZYGEFAEOBT-OAHLLOKOSA-N 0 1 276.336 2.522 20 5 CFBDMN CCCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@H](C)CC ZINC000278564537 194046701 /nfs/dbraw/zinc/04/67/01/194046701.db2.gz JRUGIMOKTNKGTF-SNVBAGLBSA-N 0 1 296.371 2.921 20 5 CFBDMN Cc1ccc([C@H](C)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000168536793 379089568 /nfs/dbraw/zinc/08/95/68/379089568.db2.gz NVVBGZKZJLJBEZ-RYUDHWBXSA-N 0 1 265.357 2.504 20 5 CFBDMN CC(C)C[C@H](N)c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000339360597 220263808 /nfs/dbraw/zinc/26/38/08/220263808.db2.gz JJZQSWZNUPKHET-ZETCQYMHSA-N 0 1 282.325 2.752 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCCCCO ZINC000278937840 194220140 /nfs/dbraw/zinc/22/01/40/194220140.db2.gz UDCNEHZOHRPJEV-UHFFFAOYSA-N 0 1 296.367 2.588 20 5 CFBDMN CC[C@@H](C)N(CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000287433069 380831798 /nfs/dbraw/zinc/83/17/98/380831798.db2.gz PQAMWXYIODAZIV-SNVBAGLBSA-N 0 1 286.759 2.841 20 5 CFBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](C(C)C)CC2)c1[N+](=O)[O-] ZINC000408170008 380915704 /nfs/dbraw/zinc/91/57/04/380915704.db2.gz RGKFXOSXNNZMLN-NSHDSACASA-N 0 1 294.355 2.525 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411943007 381066152 /nfs/dbraw/zinc/06/61/52/381066152.db2.gz MKZKDDTZOUAHFL-IRXDYDNUSA-N 0 1 298.342 2.903 20 5 CFBDMN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000296091252 381251274 /nfs/dbraw/zinc/25/12/74/381251274.db2.gz RDWQPERKXPVSPQ-CYBMUJFWSA-N 0 1 289.379 2.511 20 5 CFBDMN C[C@H]1C[C@H](C(C)(C)C)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000347617264 381259581 /nfs/dbraw/zinc/25/95/81/381259581.db2.gz NSXBVTJJXBQJSJ-NWDGAFQWSA-N 0 1 294.399 2.975 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)CCOCC1CC1 ZINC000183384144 381264369 /nfs/dbraw/zinc/26/43/69/381264369.db2.gz VSSULOWSANJDKA-UHFFFAOYSA-N 0 1 278.352 2.762 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1CCCO[C@H]2CCC[C@H]21 ZINC000369464655 381267350 /nfs/dbraw/zinc/26/73/50/381267350.db2.gz FXWQRJPDYQTJPT-CABCVRRESA-N 0 1 276.336 2.738 20 5 CFBDMN Cc1ccc2nc(CNc3ccc([N+](=O)[O-])nc3)[nH]c2c1 ZINC000342433919 381330812 /nfs/dbraw/zinc/33/08/12/381330812.db2.gz FWSREOWRXFBXGC-UHFFFAOYSA-N 0 1 283.291 2.787 20 5 CFBDMN CC(C)(C)c1noc(OCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000412991921 381523899 /nfs/dbraw/zinc/52/38/99/381523899.db2.gz JLCGIEGZXKWAEU-UHFFFAOYSA-N 0 1 293.279 2.560 20 5 CFBDMN CCn1c(C)nnc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000412997289 381529128 /nfs/dbraw/zinc/52/91/28/381529128.db2.gz VRFUSVHGPGECFT-UHFFFAOYSA-N 0 1 294.336 2.513 20 5 CFBDMN CCO[C@@H](C)c1nccn1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000412999882 381531097 /nfs/dbraw/zinc/53/10/97/381531097.db2.gz MKMFNNMIXQRZTE-JTQLQIEISA-N 0 1 291.307 2.643 20 5 CFBDMN CC(=O)c1cc(N[C@@H]2CCCN(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000342837386 381577033 /nfs/dbraw/zinc/57/70/33/381577033.db2.gz XOSJRZKLDYORCC-IINYFYTJSA-N 0 1 291.351 2.692 20 5 CFBDMN CC1=CCN(CCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342858281 381588049 /nfs/dbraw/zinc/58/80/49/381588049.db2.gz XWOVIPVVRIMFKA-UHFFFAOYSA-N 0 1 279.315 2.798 20 5 CFBDMN CCOC(=O)CCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343437551 381709098 /nfs/dbraw/zinc/70/90/98/381709098.db2.gz MWUGCQIOOATPOR-NSHDSACASA-N 0 1 280.324 2.541 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCOCC1 ZINC000361744520 381859474 /nfs/dbraw/zinc/85/94/74/381859474.db2.gz NGJKLSFWCLNHQU-GFCCVEGCSA-N 0 1 264.325 2.687 20 5 CFBDMN COc1cc(CN2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000351978093 382104042 /nfs/dbraw/zinc/10/40/42/382104042.db2.gz MPRDBKCWIYYTAJ-UHFFFAOYSA-N 0 1 264.325 2.835 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362454878 382079677 /nfs/dbraw/zinc/07/96/77/382079677.db2.gz RBAJXNZJXBTWCT-SMDDNHRTSA-N 0 1 294.326 2.735 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]2COCC[C@H]21 ZINC000362454878 382079685 /nfs/dbraw/zinc/07/96/85/382079685.db2.gz RBAJXNZJXBTWCT-SMDDNHRTSA-N 0 1 294.326 2.735 20 5 CFBDMN CCn1cncc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000417990576 382097898 /nfs/dbraw/zinc/09/78/98/382097898.db2.gz MHYVXJGEKZSDIO-UHFFFAOYSA-N 0 1 288.351 2.836 20 5 CFBDMN CN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301872395 382197145 /nfs/dbraw/zinc/19/71/45/382197145.db2.gz JBMGRFHZRKCYER-UHFFFAOYSA-N 0 1 293.367 2.524 20 5 CFBDMN Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000377514476 382282463 /nfs/dbraw/zinc/28/24/63/382282463.db2.gz ZNDRHBOSOYEALK-UKRRQHHQSA-N 0 1 297.314 2.661 20 5 CFBDMN COc1cc(CN2CCSC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352545473 382390085 /nfs/dbraw/zinc/39/00/85/382390085.db2.gz JEVAAKLPHPCIHD-UHFFFAOYSA-N 0 1 296.392 2.931 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)C1 ZINC000352730603 382463512 /nfs/dbraw/zinc/46/35/12/382463512.db2.gz FTXFHUWFISBZSH-LLVKDONJSA-N 0 1 264.325 2.835 20 5 CFBDMN CC[C@@H](O)[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000358212137 382508512 /nfs/dbraw/zinc/50/85/12/382508512.db2.gz RRRDOASHQJVTBP-LSDHHAIUSA-N 0 1 296.342 2.859 20 5 CFBDMN COc1ccc(CN2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000295006707 382560820 /nfs/dbraw/zinc/56/08/20/382560820.db2.gz IZEMNUGGXMZPPI-LLVKDONJSA-N 0 1 282.365 2.541 20 5 CFBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C1CCCCC1 ZINC000191297627 382697903 /nfs/dbraw/zinc/69/79/03/382697903.db2.gz UCOWMQUQPMHATP-MRXNPFEDSA-N 0 1 292.379 2.968 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193967487 382731422 /nfs/dbraw/zinc/73/14/22/382731422.db2.gz ZNWMYCFDRKRCKE-GHMZBOCLSA-N 0 1 291.307 2.735 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)COC(C)C ZINC000337268810 382790141 /nfs/dbraw/zinc/79/01/41/382790141.db2.gz YCOALUIYFADCKG-LLVKDONJSA-N 0 1 282.340 2.507 20 5 CFBDMN Cc1nn(C)cc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000224107881 382809510 /nfs/dbraw/zinc/80/95/10/382809510.db2.gz PMOXNMHMOQZGBW-NSHDSACASA-N 0 1 288.351 2.796 20 5 CFBDMN CN(CCCCCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000227118878 382833982 /nfs/dbraw/zinc/83/39/82/382833982.db2.gz VMTSEFVPLDLJIR-UHFFFAOYSA-N 0 1 286.759 2.843 20 5 CFBDMN CC(C)(C)C[C@H](O)CNCc1csc([N+](=O)[O-])c1 ZINC000227372413 382836887 /nfs/dbraw/zinc/83/68/87/382836887.db2.gz NHCIJQIPIHPAIX-JTQLQIEISA-N 0 1 272.370 2.543 20 5 CFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000227685279 382839536 /nfs/dbraw/zinc/83/95/36/382839536.db2.gz PUMFEBRMURYHCN-VXGBXAGGSA-N 0 1 291.351 2.654 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCSC2)c1 ZINC000230704964 382862690 /nfs/dbraw/zinc/86/26/90/382862690.db2.gz GBIJMNPVJKEGCU-VIFPVBQESA-N 0 1 272.757 2.843 20 5 CFBDMN C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457272176 383008900 /nfs/dbraw/zinc/00/89/00/383008900.db2.gz UHGABCPLPQSEGZ-ZUZCIYMTSA-N 0 1 292.335 2.999 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cccnc1 ZINC000579977394 383073747 /nfs/dbraw/zinc/07/37/47/383073747.db2.gz CYDZRLBSJNAHOJ-AWEZNQCLSA-N 0 1 269.304 2.767 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000339026680 383124764 /nfs/dbraw/zinc/12/47/64/383124764.db2.gz NLEHDPHMHTUMDO-OAHLLOKOSA-N 0 1 287.319 2.966 20 5 CFBDMN CC[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247489411 383176951 /nfs/dbraw/zinc/17/69/51/383176951.db2.gz 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Cc1cc(NCc2cc(N(C)C)ccn2)ccc1[N+](=O)[O-] ZINC000895466518 618600861 /nfs/dbraw/zinc/60/08/61/618600861.db2.gz VYIYEWFLYDRTSY-UHFFFAOYSA-N 0 1 286.335 2.976 20 5 CFBDMN CCN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000103457672 618777721 /nfs/dbraw/zinc/77/77/21/618777721.db2.gz KTFAPXJJJFVJAS-UHFFFAOYSA-N 0 1 286.335 2.900 20 5 CFBDMN C[C@H](CCSc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671551 619304283 /nfs/dbraw/zinc/30/42/83/619304283.db2.gz WTWTZECFNMOBDC-RAIGVLPGSA-N 0 1 295.360 2.766 20 5 CFBDMN C[C@@H](CCSc1ccccc1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840671546 619304329 /nfs/dbraw/zinc/30/43/29/619304329.db2.gz WTWTZECFNMOBDC-CYZMBNFOSA-N 0 1 295.360 2.766 20 5 CFBDMN O=C(Oc1cccc(Cl)c1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000841003064 620188940 /nfs/dbraw/zinc/18/89/40/620188940.db2.gz LHCMMXAKYAWLIR-IYSWYEEDSA-N 0 1 276.075 2.564 20 5 CFBDMN CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841011773 620232414 /nfs/dbraw/zinc/23/24/14/620232414.db2.gz VKQKZKAVKDJUCM-MVWJERBFSA-N 0 1 263.293 2.771 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@H]2COC[C@@H]2C2CC2)c(Cl)c1 ZINC000898381726 620378287 /nfs/dbraw/zinc/37/82/87/620378287.db2.gz LKNIWECZKSWMKA-OCCSQVGLSA-N 0 1 296.754 2.763 20 5 CFBDMN O=C([O-])C[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000902010215 620957290 /nfs/dbraw/zinc/95/72/90/620957290.db2.gz SONXOLXIVNOLGZ-RJNRQISESA-N 0 1 290.319 2.547 20 5 CFBDMN C[C@H](N[C@@H](C)C(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000903390787 621360011 /nfs/dbraw/zinc/36/00/11/621360011.db2.gz JNQNHMJZQFTZRW-IUCAKERBSA-N 0 1 270.304 2.544 20 5 CFBDMN COC[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000081053772 625569072 /nfs/dbraw/zinc/56/90/72/625569072.db2.gz UYWWFAWFNYNUJD-NSHDSACASA-N 0 1 284.743 2.717 20 5 CFBDMN CC[C@@H](C)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000055084623 622932989 /nfs/dbraw/zinc/93/29/89/622932989.db2.gz BFSUHFHDONUNLX-LLVKDONJSA-N 0 1 281.331 2.654 20 5 CFBDMN CC[C@@H](O)[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172249953 623272000 /nfs/dbraw/zinc/27/20/00/623272000.db2.gz NKYCNSBEHXHXQT-HUUCEWRRSA-N 0 1 296.342 2.859 20 5 CFBDMN CC[C@H](O)[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172249941 623272688 /nfs/dbraw/zinc/27/26/88/623272688.db2.gz NKYCNSBEHXHXQT-GJZGRUSLSA-N 0 1 296.342 2.859 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](CCCO)C2)cc1Cl ZINC000825336974 623675300 /nfs/dbraw/zinc/67/53/00/623675300.db2.gz BLXPGRQDRZXOKU-LLVKDONJSA-N 0 1 298.770 2.843 20 5 CFBDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000826876050 623900184 /nfs/dbraw/zinc/90/01/84/623900184.db2.gz PGRSLUPAWDJKTG-UHFFFAOYSA-N 0 1 298.314 2.667 20 5 CFBDMN CC(=O)OC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153283075 623913465 /nfs/dbraw/zinc/91/34/65/623913465.db2.gz UGMZOMGSJXHZLV-LLVKDONJSA-N 0 1 292.335 2.683 20 5 CFBDMN CC(C)(C)Oc1cccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000922801920 626367481 /nfs/dbraw/zinc/36/74/81/626367481.db2.gz FDYRLIHEQITVHK-CHWSQXEVSA-N 0 1 293.319 2.572 20 5 CFBDMN CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839512784 626538405 /nfs/dbraw/zinc/53/84/05/626538405.db2.gz RJVKGVXOFBSSGB-HZPDHXFCSA-N 0 1 298.342 2.854 20 5 CFBDMN CN(CCc1cccc2ccccc21)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839620043 626548550 /nfs/dbraw/zinc/54/85/50/626548550.db2.gz DIQFETQRUWEOSM-HZPDHXFCSA-N 0 1 298.342 2.506 20 5 CFBDMN CCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1F ZINC000839702913 626550923 /nfs/dbraw/zinc/55/09/23/626550923.db2.gz XLOSJQRBQREPPT-RAIGVLPGSA-N 0 1 298.289 2.587 20 5 CFBDMN C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000768771939 627370930 /nfs/dbraw/zinc/37/09/30/627370930.db2.gz MCXPHKZOCURHLT-MNOVXSKESA-N 0 1 297.786 2.773 20 5 CFBDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000768771950 627371030 /nfs/dbraw/zinc/37/10/30/627371030.db2.gz MCXPHKZOCURHLT-WDEREUQCSA-N 0 1 297.786 2.773 20 5 CFBDMN CCc1cc(CNc2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000774530907 627936096 /nfs/dbraw/zinc/93/60/96/627936096.db2.gz YCUGYZTVUJGKIW-UHFFFAOYSA-N 0 1 264.260 2.632 20 5 CFBDMN CCc1cc(CNc2cc(OC)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000774529789 627936121 /nfs/dbraw/zinc/93/61/21/627936121.db2.gz MHVDAELRWREPNE-UHFFFAOYSA-N 0 1 294.286 2.640 20 5 CFBDMN Cc1ccc(CN(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000776271267 628125252 /nfs/dbraw/zinc/12/52/52/628125252.db2.gz JPPZANGZBWJTDW-OAHLLOKOSA-N 0 1 290.319 2.662 20 5 CFBDMN C[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1C ZINC000779274643 628368582 /nfs/dbraw/zinc/36/85/82/628368582.db2.gz QOSZIWBDZNQKGV-KKZNHRDASA-N 0 1 266.297 2.904 20 5 CFBDMN Cc1nn(CN2CCC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000779858788 628414897 /nfs/dbraw/zinc/41/48/97/628414897.db2.gz FLGZEZSMTBFDIG-LBPRGKRZSA-N 0 1 266.345 2.568 20 5 CFBDMN Cc1cc(O)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780535366 628472670 /nfs/dbraw/zinc/47/26/70/628472670.db2.gz LEGPLWOBZBHLSZ-UHFFFAOYSA-N 0 1 288.259 2.567 20 5 CFBDMN CC(C)[C@H]1C[C@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000781877171 628587732 /nfs/dbraw/zinc/58/77/32/628587732.db2.gz GFJAILQTTBDQLW-ZYHUDNBSSA-N 0 1 296.323 2.531 20 5 CFBDMN Cn1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783638821 628729632 /nfs/dbraw/zinc/72/96/32/628729632.db2.gz OYKWLNJOPMAAGH-UHFFFAOYSA-N 0 1 279.727 2.877 20 5 CFBDMN O=C(OCc1ccccc1[N+](=O)[O-])c1cccc2[nH]ncc21 ZINC000785587142 628896399 /nfs/dbraw/zinc/89/63/99/628896399.db2.gz JFYVRXQDCWEBQZ-UHFFFAOYSA-N 0 1 297.270 2.828 20 5 CFBDMN Cc1ccc([C@@H]2CCCCCN2CC[N+](=O)[O-])o1 ZINC000791052399 629284337 /nfs/dbraw/zinc/28/43/37/629284337.db2.gz MVZPKNKXESAAFO-LBPRGKRZSA-N 0 1 252.314 2.782 20 5 CFBDMN C[C@@H](CO)[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423209 634742035 /nfs/dbraw/zinc/74/20/35/634742035.db2.gz WWHNFBLQWJRXLP-SMDDNHRTSA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@@]12COC[C@H]1CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000852533562 634772676 /nfs/dbraw/zinc/77/26/76/634772676.db2.gz AZMWAGSCWOJFRX-BXUZGUMPSA-N 0 1 296.754 2.717 20 5 CFBDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545219 630456041 /nfs/dbraw/zinc/45/60/41/630456041.db2.gz KXMYOXXDEYPUJC-UEKVPHQBSA-N 0 1 296.342 2.715 20 5 CFBDMN O=C(Oc1ccc2cc[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000802961676 630572400 /nfs/dbraw/zinc/57/24/00/630572400.db2.gz ZBHUCXAFAXQEBW-UHFFFAOYSA-N 0 1 271.232 2.623 20 5 CFBDMN CCc1cc(CNc2cc([N+](=O)[O-])ccc2C(C)=O)n[nH]1 ZINC000807972115 630927940 /nfs/dbraw/zinc/92/79/40/630927940.db2.gz MWJDFPJASKCSBI-UHFFFAOYSA-N 0 1 288.307 2.695 20 5 CFBDMN CCC/C=C\C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837439171 631029947 /nfs/dbraw/zinc/02/99/47/631029947.db2.gz OVULUBSGHCAPDY-PLNGDYQASA-N 0 1 265.265 2.700 20 5 CFBDMN CCOc1cccc([C@H](CC)OC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000841138692 631345179 /nfs/dbraw/zinc/34/51/79/631345179.db2.gz FMUGXOGAYIHSBK-MCIONIFRSA-N 0 1 293.319 2.745 20 5 CFBDMN Cc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000841198951 631357227 /nfs/dbraw/zinc/35/72/27/631357227.db2.gz JTNBXQQPCUMSFI-PSASIEDQSA-N 0 1 268.700 2.561 20 5 CFBDMN O=C(O[C@@H]1CCCc2c(F)cc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841246284 631368195 /nfs/dbraw/zinc/36/81/95/631368195.db2.gz BATKSSKXHYQYCD-RAIGVLPGSA-N 0 1 297.257 2.551 20 5 CFBDMN CCc1cc(CNc2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000812458749 631721958 /nfs/dbraw/zinc/72/19/58/631721958.db2.gz JXWDLDHPUWOSGL-UHFFFAOYSA-N 0 1 278.287 2.940 20 5 CFBDMN CC(C)[C@@H](N)c1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000843146951 631858941 /nfs/dbraw/zinc/85/89/41/631858941.db2.gz VPNCJCSMHDMMOD-OQHXTRMZSA-N 0 1 288.307 2.804 20 5 CFBDMN CC[C@H]1CN(C)CCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000816660595 632506016 /nfs/dbraw/zinc/50/60/16/632506016.db2.gz JPOFEVVVBXAJSE-LBPRGKRZSA-N 0 1 297.786 2.774 20 5 CFBDMN Cc1nn(CN2CC[C@@H](C3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000817369078 632615864 /nfs/dbraw/zinc/61/58/64/632615864.db2.gz QIGSROOWRCGXQU-CQSZACIVSA-N 0 1 292.383 2.878 20 5 CFBDMN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840341494 632620754 /nfs/dbraw/zinc/62/07/54/632620754.db2.gz KHMPCMSZQTUHBL-RBSFLKMASA-N 0 1 290.363 2.816 20 5 CFBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)C ZINC000846234144 632671403 /nfs/dbraw/zinc/67/14/03/632671403.db2.gz KCOWJXHJJSDPKW-UHFFFAOYSA-N 0 1 266.297 2.523 20 5 CFBDMN COc1cncc(CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000850272927 633922651 /nfs/dbraw/zinc/92/26/51/633922651.db2.gz CEDIPEWGTIOWHU-UHFFFAOYSA-N 0 1 287.319 2.597 20 5 CFBDMN C[C@H](NCc1cnc2n1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000850312278 633937912 /nfs/dbraw/zinc/93/79/12/633937912.db2.gz GTSZNSWBSMRUEB-NSHDSACASA-N 0 1 286.335 2.588 20 5 CFBDMN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@H](O)c3ccccc32)c1 ZINC000850369402 633960094 /nfs/dbraw/zinc/96/00/94/633960094.db2.gz JIHXMPYMNUPBST-CVEARBPZSA-N 0 1 284.315 2.863 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000852772941 634831950 /nfs/dbraw/zinc/83/19/50/634831950.db2.gz SUMAUWRUJXBSKN-NSHDSACASA-N 0 1 293.323 2.981 20 5 CFBDMN CN(CC1CN(C)C1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853824944 635118965 /nfs/dbraw/zinc/11/89/65/635118965.db2.gz UZFPIGZWLNYACC-UHFFFAOYSA-N 0 1 285.294 2.530 20 5 CFBDMN C[C@H]1C[C@@H](c2ccccc2)CN1Cn1nccc1[N+](=O)[O-] ZINC000115512578 636017510 /nfs/dbraw/zinc/01/75/10/636017510.db2.gz NCYJDEQTLAAUDP-GXTWGEPZSA-N 0 1 286.335 2.627 20 5 CFBDMN C[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000047540444 650237451 /nfs/dbraw/zinc/23/74/51/650237451.db2.gz TYJSLLGOIYPIOQ-JTQLQIEISA-N 0 1 252.289 2.966 20 5 CFBDMN O=[N+]([O-])c1ccc(CN(C2CC2)C2CC2)cc1F ZINC000859628711 636629299 /nfs/dbraw/zinc/62/92/99/636629299.db2.gz ZCYZGMMECICXGV-UHFFFAOYSA-N 0 1 250.273 2.861 20 5 CFBDMN CCN[C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000863676640 637740820 /nfs/dbraw/zinc/74/08/20/637740820.db2.gz CFEAZCOZVTVLBX-SECBINFHSA-N 0 1 276.296 2.624 20 5 CFBDMN CCN[C@H](C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000863676911 637742360 /nfs/dbraw/zinc/74/23/60/637742360.db2.gz DXZQHZULUHJUMG-SECBINFHSA-N 0 1 276.296 2.624 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@]23CCC[C@H]2OCC3)c(F)c1 ZINC000865859605 638620533 /nfs/dbraw/zinc/62/05/33/638620533.db2.gz URMTVRJXXWFYFS-KGLIPLIRSA-N 0 1 280.299 2.535 20 5 CFBDMN Cc1[nH]ncc1CN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000865900822 638650185 /nfs/dbraw/zinc/65/01/85/638650185.db2.gz DXTPQCJRKVMPFY-UHFFFAOYSA-N 0 1 280.715 2.916 20 5 CFBDMN CN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CCC1(C)C ZINC000866112436 638743464 /nfs/dbraw/zinc/74/34/64/638743464.db2.gz AHZDYKILGZBOGV-UHFFFAOYSA-N 0 1 298.774 2.564 20 5 CFBDMN Cc1ccc(CN[C@@H](C)c2cncnc2C)cc1[N+](=O)[O-] ZINC000866541354 638839289 /nfs/dbraw/zinc/83/92/89/638839289.db2.gz YYLRHMRDBVQYLV-NSHDSACASA-N 0 1 286.335 2.852 20 5 CFBDMN Cc1ccc(CN[C@H](C)c2cncnc2C)cc1[N+](=O)[O-] ZINC000866541353 638839414 /nfs/dbraw/zinc/83/94/14/638839414.db2.gz YYLRHMRDBVQYLV-LLVKDONJSA-N 0 1 286.335 2.852 20 5 CFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC(c3ccccc3)C2)c1 ZINC000871988066 641544211 /nfs/dbraw/zinc/54/42/11/641544211.db2.gz HRACHHLOYMWZRC-QGZVFWFLSA-N 0 1 298.342 2.728 20 5 CFBDMN C[C@H](Cn1ccnc1)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019882 641550761 /nfs/dbraw/zinc/55/07/61/641550761.db2.gz BAAGTLHHTWAGDI-GHMZBOCLSA-N 0 1 292.314 2.670 20 5 CFBDMN C[C@@H](Cn1ccnc1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019884 641551399 /nfs/dbraw/zinc/55/13/99/641551399.db2.gz BAAGTLHHTWAGDI-QWRGUYRKSA-N 0 1 292.314 2.670 20 5 CFBDMN CCC(O)(CC)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872028918 641559533 /nfs/dbraw/zinc/55/95/33/641559533.db2.gz NINDALIHJGVUNM-SNVBAGLBSA-N 0 1 284.331 2.936 20 5 CFBDMN CCC[C@@](C)(O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033672 641564836 /nfs/dbraw/zinc/56/48/36/641564836.db2.gz DIOZDORZNGPQCE-QMTHXVAHSA-N 0 1 284.331 2.936 20 5 CFBDMN COC(C)(C)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872045326 641580472 /nfs/dbraw/zinc/58/04/72/641580472.db2.gz ZKGHOSNXOGXSAF-SECBINFHSA-N 0 1 270.304 2.810 20 5 CFBDMN C[C@H](Cn1cccn1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872046440 641581411 /nfs/dbraw/zinc/58/14/11/641581411.db2.gz HKTSFDRGNNSNNU-MNOVXSKESA-N 0 1 292.314 2.670 20 5 CFBDMN COC1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872059878 641592895 /nfs/dbraw/zinc/59/28/95/641592895.db2.gz JTAGWYRYRHYAMJ-SNVBAGLBSA-N 0 1 282.315 2.954 20 5 CFBDMN C[C@H](NCC1(CO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063000 641594006 /nfs/dbraw/zinc/59/40/06/641594006.db2.gz SGUDCQSEJHMLON-JTQLQIEISA-N 0 1 282.315 2.547 20 5 CFBDMN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063495 641594954 /nfs/dbraw/zinc/59/49/54/641594954.db2.gz QQAOHSJJVVKLMS-KPXOXKRLSA-N 0 1 282.315 2.544 20 5 CFBDMN C[C@@H](N[C@H](CO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074164 641606058 /nfs/dbraw/zinc/60/60/58/641606058.db2.gz YDSKRWCLCSAAMS-ZWNOBZJWSA-N 0 1 296.342 2.936 20 5 CFBDMN C[C@@H](NC[C@H](O)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079355 641612016 /nfs/dbraw/zinc/61/20/16/641612016.db2.gz XUIQDWLEWNDMEZ-RNCFNFMXSA-N 0 1 282.315 2.546 20 5 CFBDMN Cc1nn(CN(C)C[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000872819327 641946273 /nfs/dbraw/zinc/94/62/73/641946273.db2.gz XYRIVRXTWRMAKD-SNVBAGLBSA-N 0 1 268.361 2.671 20 5 CFBDMN Cc1c(CN[C@@H]2c3ccccc3C[C@H]2O)cccc1[N+](=O)[O-] ZINC000873075302 642005288 /nfs/dbraw/zinc/00/52/88/642005288.db2.gz UWCRUKCJSKELDG-IAGOWNOFSA-N 0 1 298.342 2.651 20 5 CFBDMN Cc1c(CNCc2c(C)ccc([N+](=O)[O-])c2C)cnn1C ZINC000873098162 642012261 /nfs/dbraw/zinc/01/22/61/642012261.db2.gz MKFJEYNUKXQSPV-UHFFFAOYSA-N 0 1 288.351 2.543 20 5 CFBDMN CCn1nccc1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873139883 642028410 /nfs/dbraw/zinc/02/84/10/642028410.db2.gz GTMKCEOCBGOUHD-UHFFFAOYSA-N 0 1 288.351 2.718 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)c(F)c1 ZINC000873155884 642037950 /nfs/dbraw/zinc/03/79/50/642037950.db2.gz HWULTLWCDVVFCJ-RIEGTJTDSA-N 0 1 294.326 2.781 20 5 CFBDMN CC(C)(C)[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000873574064 642256144 /nfs/dbraw/zinc/25/61/44/642256144.db2.gz MXTACIGWQROEDC-GXSJLCMTSA-N 0 1 296.323 2.673 20 5 CFBDMN CCC[C@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)OC ZINC000876739077 642988217 /nfs/dbraw/zinc/98/82/17/642988217.db2.gz DOIDKDXZPNIGKY-CYBMUJFWSA-N 0 1 278.352 2.768 20 5 CFBDMN CSC(C)(C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877065636 643131393 /nfs/dbraw/zinc/13/13/93/643131393.db2.gz TVQTZTJSJBGTSN-UHFFFAOYSA-N 0 1 295.364 2.967 20 5 CFBDMN CC(C)[C@@H](O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878325138 643841244 /nfs/dbraw/zinc/84/12/44/643841244.db2.gz FAXZBRLEISZMDE-INIZCTEOSA-N 0 1 292.379 2.966 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879559925 644321009 /nfs/dbraw/zinc/32/10/09/644321009.db2.gz TZOUCSMFXQRVSZ-GHMZBOCLSA-N 0 1 296.367 2.919 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CSC[C@@H]3C2)cc1F ZINC000879565930 644327615 /nfs/dbraw/zinc/32/76/15/644327615.db2.gz RLKBERVUSFBGRU-RYUDHWBXSA-N 0 1 296.367 2.919 20 5 CFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](O)CC(C)(C)C1 ZINC000879619656 644350074 /nfs/dbraw/zinc/35/00/74/644350074.db2.gz YYDCCYIHSUMWDW-NEPJUHHUSA-N 0 1 278.352 2.749 20 5 CFBDMN C[C@H]1CCN[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000127934367 644378579 /nfs/dbraw/zinc/37/85/79/644378579.db2.gz IBSFIRQHGHICPZ-CABZTGNLSA-N 0 1 288.307 2.705 20 5 CFBDMN CC(C)(O)[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000879960751 644476995 /nfs/dbraw/zinc/47/69/95/644476995.db2.gz MHZYBLNNFWONTA-LBPRGKRZSA-N 0 1 296.342 2.717 20 5 CFBDMN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000880538921 644757222 /nfs/dbraw/zinc/75/72/22/644757222.db2.gz PGMLFPGVNFNVEH-LRDDRELGSA-N 0 1 298.346 2.726 20 5 CFBDMN CCC[C@@H](C)[C@@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000130756004 645563528 /nfs/dbraw/zinc/56/35/28/645563528.db2.gz GDOLQHAEEVTEBM-NEPJUHHUSA-N 0 1 266.345 2.649 20 5 CFBDMN CCC[C@H](C)[C@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000130787582 645570447 /nfs/dbraw/zinc/57/04/47/645570447.db2.gz ILIVNWQHJIYPDE-WCQYABFASA-N 0 1 266.345 2.649 20 5 CFBDMN CCSCC[C@H](C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886073371 646855957 /nfs/dbraw/zinc/85/59/57/646855957.db2.gz UEKZTLZQDLDVSX-NSHDSACASA-N 0 1 283.397 2.953 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H](c2cccnc2)C1 ZINC000886263944 646938617 /nfs/dbraw/zinc/93/86/17/646938617.db2.gz KXWJJTOAGHTCAF-AWEZNQCLSA-N 0 1 298.346 2.764 20 5 CFBDMN CC(C)[C@H](NCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000886543136 647039711 /nfs/dbraw/zinc/03/97/11/647039711.db2.gz LDOQEKRKIXPUPY-HNNXBMFYSA-N 0 1 288.351 2.815 20 5 CFBDMN Cc1ccc(CN[C@H](C)c2ccnnc2)cc1[N+](=O)[O-] ZINC000926797575 648620673 /nfs/dbraw/zinc/62/06/73/648620673.db2.gz UOKUXCKNWFYWHV-LLVKDONJSA-N 0 1 272.308 2.544 20 5 CFBDMN O=[N+]([O-])c1ccc(CN(CCOC2CC2)C2CC2)cc1 ZINC000930141272 649192660 /nfs/dbraw/zinc/19/26/60/649192660.db2.gz WQGNWZUUDIOGOQ-UHFFFAOYSA-N 0 1 276.336 2.738 20 5 CFBDMN O=[N+]([O-])CCN[C@@H](c1ccccc1F)C1CCCC1 ZINC000930233436 649211317 /nfs/dbraw/zinc/21/13/17/649211317.db2.gz QKDLROWVYNDRRK-CQSZACIVSA-N 0 1 266.316 2.923 20 5 CFBDMN CCN(CCc1ccc(C(F)(F)F)cc1)CC[N+](=O)[O-] ZINC000930762485 649322646 /nfs/dbraw/zinc/32/26/46/649322646.db2.gz FLGVLAWUGUBVKZ-UHFFFAOYSA-N 0 1 290.285 2.847 20 5 CFBDMN CC1(C)[C@@H](c2cccc(F)c2)CCN1CC[N+](=O)[O-] ZINC000931257102 649397937 /nfs/dbraw/zinc/39/79/37/649397937.db2.gz PXCOMUJDLGOTDJ-CYBMUJFWSA-N 0 1 266.316 2.670 20 5 CFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2nccc(N)c2C1 ZINC000931512811 649444381 /nfs/dbraw/zinc/44/43/81/649444381.db2.gz NNZPDQPPNIQKIC-LLVKDONJSA-N 0 1 298.346 2.691 20 5 CFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2nccc(N)c2C1 ZINC000931512899 649444807 /nfs/dbraw/zinc/44/48/07/649444807.db2.gz UBPLFZJYLNYDOQ-LLVKDONJSA-N 0 1 298.346 2.691 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](C)CC1 ZINC000932348536 649581835 /nfs/dbraw/zinc/58/18/35/649581835.db2.gz GNDHEGYWVXCRIR-NEPJUHHUSA-N 0 1 264.325 2.767 20 5 CFBDMN CCO[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000932979754 649666468 /nfs/dbraw/zinc/66/64/68/649666468.db2.gz QQLVIBWBDQLGCP-RISCZKNCSA-N 0 1 264.325 2.767 20 5 CFBDMN CSCC(C)(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000934671344 649814115 /nfs/dbraw/zinc/81/41/15/649814115.db2.gz WUQSMRPIAQWOAC-UHFFFAOYSA-N 0 1 299.352 2.734 20 5 CFBDMN C[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])c1cccnc1 ZINC001225488594 775477178 /nfs/dbraw/zinc/47/71/78/775477178.db2.gz IOPZNCVJEXRXLA-SECBINFHSA-N 0 1 260.249 2.835 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1OC1Cc2ccccc2C1 ZINC001225489313 775478764 /nfs/dbraw/zinc/47/87/64/775478764.db2.gz WFZCCRURQYEHKK-UHFFFAOYSA-N 0 1 271.272 2.847 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1O[C@@H]1CCC(F)(F)C1 ZINC001225494406 775480725 /nfs/dbraw/zinc/48/07/25/775480725.db2.gz RIQUBWQBCKXVDD-MRVPVSSYSA-N 0 1 259.208 2.867 20 5 CFBDMN Cc1cc(=O)[nH]c(O[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001226157756 775720992 /nfs/dbraw/zinc/72/09/92/775720992.db2.gz FDHIUEVONNCWFT-VIFPVBQESA-N 0 1 275.264 2.539 20 5 CFBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCCOC1CCC1 ZINC000709175286 775952391 /nfs/dbraw/zinc/95/23/91/775952391.db2.gz JUHUZZFYIOXESK-UHFFFAOYSA-N 0 1 284.743 2.907 20 5 CFBDMN CCC(CC)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227096377 776095397 /nfs/dbraw/zinc/09/53/97/776095397.db2.gz QBKFKJHJIRXSIY-UHFFFAOYSA-N 0 1 277.280 2.811 20 5 CFBDMN CCN1CCC[C@@H](Oc2ccnc(Cl)c2[N+](=O)[O-])C1 ZINC001228056646 776379810 /nfs/dbraw/zinc/37/98/10/776379810.db2.gz FNKXJOXQQYRKHH-SECBINFHSA-N 0 1 285.731 2.506 20 5 CFBDMN O=[N+]([O-])c1cc(CNC[C@H]2CC[C@H](C3CC3)O2)cs1 ZINC000722319650 776448645 /nfs/dbraw/zinc/44/86/45/776448645.db2.gz JRDRKIGVJVJYIC-VXGBXAGGSA-N 0 1 282.365 2.704 20 5 CFBDMN Cc1nc2ccc(O[C@@H](C[N+](=O)[O-])c3cccnc3)cc2[nH]1 ZINC001228327735 776460877 /nfs/dbraw/zinc/46/08/77/776460877.db2.gz UQDMEGZUECGAKY-HNNXBMFYSA-N 0 1 298.302 2.663 20 5 CFBDMN C[C@@H]1CC[C@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001228604047 776537321 /nfs/dbraw/zinc/53/73/21/776537321.db2.gz OLNIIFOYMNAUME-APPZFPTMSA-N 0 1 279.296 2.535 20 5 CFBDMN C[C@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])C1CCCC1 ZINC001228610403 776538445 /nfs/dbraw/zinc/53/84/45/776538445.db2.gz UUITZNPCUCVJAZ-QMMMGPOBSA-N 0 1 293.323 2.925 20 5 CFBDMN CC[C@H](C)[C@@H](C)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228813671 776621781 /nfs/dbraw/zinc/62/17/81/776621781.db2.gz FQYOVZDVVVUNDL-DTWKUNHWSA-N 0 1 297.307 2.900 20 5 CFBDMN CC/C=C(\C)[C@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229377883 776795932 /nfs/dbraw/zinc/79/59/32/776795932.db2.gz GKZDBCKQNSFGEA-JARNTUPDSA-N 0 1 281.312 2.913 20 5 CFBDMN Cc1nc2[nH]cnc2c(O[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001229438559 776811484 /nfs/dbraw/zinc/81/14/84/776811484.db2.gz PEEBBPYLJHIXIH-MRVPVSSYSA-N 0 1 299.290 2.710 20 5 CFBDMN Cc1cc([O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001229749695 776886430 /nfs/dbraw/zinc/88/64/30/776886430.db2.gz GWXWGZWVUBMVKF-ZSBIGDGJSA-N 0 1 292.335 2.613 20 5 CFBDMN Cc1cc([O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC001229749695 776886438 /nfs/dbraw/zinc/88/64/38/776886438.db2.gz GWXWGZWVUBMVKF-ZSBIGDGJSA-N 0 1 292.335 2.613 20 5 CFBDMN Cc1cc([O-])c(OC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001229750170 776888008 /nfs/dbraw/zinc/88/80/08/776888008.db2.gz KYQZQKZKPWPTBD-UHFFFAOYSA-N 0 1 294.351 2.860 20 5 CFBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1C=CCCC1 ZINC001230600456 777023643 /nfs/dbraw/zinc/02/36/43/777023643.db2.gz DXZFSVRCTDEKFB-SNVBAGLBSA-N 0 1 259.265 2.959 20 5 CFBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C)CC(C)C)n1 ZINC001231259094 777178232 /nfs/dbraw/zinc/17/82/32/777178232.db2.gz FQCNPUXQJDOWDL-SECBINFHSA-N 0 1 254.286 2.817 20 5 CFBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C(C)C)C(F)(F)F)n1 ZINC001231259578 777178423 /nfs/dbraw/zinc/17/84/23/777178423.db2.gz OLGFYZYJTPYCGD-SECBINFHSA-N 0 1 294.229 2.970 20 5 CFBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCC(F)(F)C2)n1 ZINC001231262759 777180074 /nfs/dbraw/zinc/18/00/74/777180074.db2.gz GXHUHLIPESHHAT-ZETCQYMHSA-N 0 1 274.223 2.570 20 5 CFBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCC(=O)CC2(C)C)n1 ZINC001231264405 777181081 /nfs/dbraw/zinc/18/10/81/777181081.db2.gz QJYAHAYTABRNGA-NSHDSACASA-N 0 1 294.307 2.530 20 5 CFBDMN Cc1cc(F)c(O[C@@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001234061674 778156435 /nfs/dbraw/zinc/15/64/35/778156435.db2.gz WVYHLQYPWHPLIE-CQSZACIVSA-N 0 1 280.299 2.515 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](CF)C2)cc1F ZINC000711477911 781440940 /nfs/dbraw/zinc/44/09/40/781440940.db2.gz SQYSKWRHLRWRKJ-JTQLQIEISA-N 0 1 256.252 2.525 20 5 CFBDMN O=C([O-])C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000594540414 349443580 /nfs/dbraw/zinc/44/35/80/349443580.db2.gz YAMSBKGEHLYUHR-GQCTYLIASA-N 0 1 290.319 2.547 20 5 CFBDMN CCOC[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032115 349557579 /nfs/dbraw/zinc/55/75/79/349557579.db2.gz HMSWARTTZBDNGJ-QWRGUYRKSA-N 0 1 282.340 2.679 20 5 CFBDMN C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000594996947 349542871 /nfs/dbraw/zinc/54/28/71/349542871.db2.gz VZPCESMOKRCYFZ-PZBABLGHSA-N 0 1 286.335 2.692 20 5 CFBDMN Cc1noc(CN2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595313021 349600045 /nfs/dbraw/zinc/60/00/45/349600045.db2.gz QYHZWDQYEJBVSI-DTORHVGOSA-N 0 1 253.302 2.654 20 5 CFBDMN Cc1noc(CN(C)[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595291937 349592211 /nfs/dbraw/zinc/59/22/11/349592211.db2.gz YHQXQIKJHRHVLT-GXSJLCMTSA-N 0 1 267.329 2.902 20 5 CFBDMN Cc1noc(CN2CC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595296867 349595131 /nfs/dbraw/zinc/59/51/31/349595131.db2.gz MYNDBVIRZCRXCE-ZDUSSCGKSA-N 0 1 287.319 2.881 20 5 CFBDMN Cc1noc(CN2CC[C@@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595396637 349615894 /nfs/dbraw/zinc/61/58/94/349615894.db2.gz NQXJFIQSKBFVDP-NXEZZACHSA-N 0 1 267.329 2.759 20 5 CFBDMN C[C@]1(CCCO)CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595409588 349618347 /nfs/dbraw/zinc/61/83/47/349618347.db2.gz XSQMYDFRJVCFHX-OAHLLOKOSA-N 0 1 296.342 2.861 20 5 CFBDMN CN(CCc1ccncc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595409370 349618195 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O=[N+]([O-])c1ccc(CN[C@H]2c3ccccc3CC[C@H]2O)cc1 ZINC000922988446 626439869 /nfs/dbraw/zinc/43/98/69/626439869.db2.gz QQXFLQYPQRGKNZ-SJORKVTESA-N 0 1 298.342 2.733 20 5 CFBDMN O=C(C[C@@H]1CC[C@H]2C[C@H]21)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000838120572 626486711 /nfs/dbraw/zinc/48/67/11/626486711.db2.gz CAFOPHFQBBKYBF-OUJBWJOFSA-N 0 1 291.303 2.780 20 5 CFBDMN CCC[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689603 626551035 /nfs/dbraw/zinc/55/10/35/626551035.db2.gz QQJWKVAMCCPZAM-RRFJBIMHSA-N 0 1 290.363 2.569 20 5 CFBDMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1Cl ZINC000839689657 626551128 /nfs/dbraw/zinc/55/11/28/626551128.db2.gz DOYFTVCZQGSLQH-RTXFEEFZSA-N 0 1 296.754 2.819 20 5 CFBDMN CC(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839688511 626551132 /nfs/dbraw/zinc/55/11/32/626551132.db2.gz CZGIGFNEAZITJP-JHJVBQTASA-N 0 1 296.754 2.819 20 5 CFBDMN CC[C@@H](Cc1ccccc1)N(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839704117 626552417 /nfs/dbraw/zinc/55/24/17/626552417.db2.gz NMQUZDQFIHLJCL-RRFJBIMHSA-N 0 1 290.363 2.521 20 5 CFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1CCC1CCCC1 ZINC000839706822 626552616 /nfs/dbraw/zinc/55/26/16/626552616.db2.gz QAVMSCCYLMODOV-MGPQQGTHSA-N 0 1 280.368 2.613 20 5 CFBDMN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CC2 ZINC000839731488 626553712 /nfs/dbraw/zinc/55/37/12/626553712.db2.gz QAQIQYFQMUCOSH-RBSFLKMASA-N 0 1 288.347 2.579 20 5 CFBDMN O=C(Nc1cccc(C2CCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839775074 626554920 /nfs/dbraw/zinc/55/49/20/626554920.db2.gz RQULIOBWXYAHNA-CHWSQXEVSA-N 0 1 260.293 2.558 20 5 CFBDMN CC[C@H](NC1COC(C)(C)OC1)c1cccc([N+](=O)[O-])c1 ZINC000757706588 626559889 /nfs/dbraw/zinc/55/98/89/626559889.db2.gz XDXHKLARPAKXNQ-AWEZNQCLSA-N 0 1 294.351 2.787 20 5 CFBDMN Cc1nn(CN2CCC[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764845102 627101257 /nfs/dbraw/zinc/10/12/57/627101257.db2.gz OHCOXHZETDZJJF-LLVKDONJSA-N 0 1 288.351 2.942 20 5 CFBDMN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000765636522 627151851 /nfs/dbraw/zinc/15/18/51/627151851.db2.gz QJYNRDNLKWNCPN-GHMZBOCLSA-N 0 1 281.331 2.653 20 5 CFBDMN CCc1cc(CNc2ccc([N+](=O)[O-])cc2COC)n[nH]1 ZINC000774528163 627935155 /nfs/dbraw/zinc/93/51/55/627935155.db2.gz AVLFNGHOSDIJTG-UHFFFAOYSA-N 0 1 290.323 2.639 20 5 CFBDMN C[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774904460 627978240 /nfs/dbraw/zinc/97/82/40/627978240.db2.gz SWWCZEYQPKQGPN-NXEZZACHSA-N 0 1 279.296 2.733 20 5 CFBDMN CC[C@@H](C)[C@@H]1CCCCN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779860977 628415373 /nfs/dbraw/zinc/41/53/73/628415373.db2.gz LKMVCCWAFZAZGY-YPMHNXCESA-N 0 1 280.372 2.958 20 5 CFBDMN Cc1nn(CN2CCC[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000780500785 628469778 /nfs/dbraw/zinc/46/97/78/628469778.db2.gz YELXRBJJTLCYRN-CYBMUJFWSA-N 0 1 280.372 2.734 20 5 CFBDMN O=[N+]([O-])c1ccc(CN(CCCO)C2CC2)cc1Cl ZINC000783566573 628721144 /nfs/dbraw/zinc/72/11/44/628721144.db2.gz HYUVFOHLSXUSQC-UHFFFAOYSA-N 0 1 284.743 2.595 20 5 CFBDMN C[C@H](NCc1ccoc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788564052 629082125 /nfs/dbraw/zinc/08/21/25/629082125.db2.gz RSYQJJAUPGKFLB-VIFPVBQESA-N 0 1 261.281 2.621 20 5 CFBDMN O=C(OCCCCC(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000797029058 630006027 /nfs/dbraw/zinc/00/60/27/630006027.db2.gz YGHJLYHOOKNICF-UHFFFAOYSA-N 0 1 280.202 2.812 20 5 CFBDMN O=C(OCC1=CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000835821136 630089151 /nfs/dbraw/zinc/08/91/51/630089151.db2.gz IWMQLTOFGVHZPD-UHFFFAOYSA-N 0 1 250.254 2.580 20 5 CFBDMN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(C2CC2)no1 ZINC000799297837 630293164 /nfs/dbraw/zinc/29/31/64/630293164.db2.gz QSVRKCHDRBCJMT-UHFFFAOYSA-N 0 1 291.238 2.852 20 5 CFBDMN CCCN1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804324692 630672206 /nfs/dbraw/zinc/67/22/06/630672206.db2.gz VTXXTPFKBBJGSS-UHFFFAOYSA-N 0 1 283.759 2.780 20 5 CFBDMN CC(C)[C@@H]1C[C@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837643924 631095199 /nfs/dbraw/zinc/09/51/99/631095199.db2.gz KFXLGQMGKQOHIR-NWDGAFQWSA-N 0 1 279.292 2.636 20 5 CFBDMN C/C=C(\CC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837663297 631100939 /nfs/dbraw/zinc/10/09/39/631100939.db2.gz STYDJUWXYQCEBJ-YCRREMRBSA-N 0 1 265.265 2.700 20 5 CFBDMN O=C(CCCC1CC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837737801 631119697 /nfs/dbraw/zinc/11/96/97/631119697.db2.gz FTILPENSDTZGHY-UHFFFAOYSA-N 0 1 279.292 2.924 20 5 CFBDMN Cc1nc(C(C)C)sc1[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841173746 631352169 /nfs/dbraw/zinc/35/21/69/631352169.db2.gz ZBJOFBAILRCFLO-IVZWLZJFSA-N 0 1 298.364 2.844 20 5 CFBDMN CC1(C)[C@H](O)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000812779848 631771527 /nfs/dbraw/zinc/77/15/27/631771527.db2.gz ZXOMUWDQRSJXBJ-GFCCVEGCSA-N 0 1 284.743 2.593 20 5 CFBDMN CCCN[C@@H](C)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000843170866 631876506 /nfs/dbraw/zinc/87/65/06/631876506.db2.gz LERGXIYFKFWLEN-JTQLQIEISA-N 0 1 290.323 2.629 20 5 CFBDMN C[C@@H]1CC[C@H](C)[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000816225589 632398960 /nfs/dbraw/zinc/39/89/60/632398960.db2.gz VGIZTAYAPMUOHN-WCABBAIRSA-N 0 1 266.297 2.904 20 5 CFBDMN CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000845739009 632544615 /nfs/dbraw/zinc/54/46/15/632544615.db2.gz QMXWRMJSYTWGKO-LLVKDONJSA-N 0 1 292.335 2.624 20 5 CFBDMN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000845739009 632544621 /nfs/dbraw/zinc/54/46/21/632544621.db2.gz QMXWRMJSYTWGKO-LLVKDONJSA-N 0 1 292.335 2.624 20 5 CFBDMN CC(=O)C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846952796 632856897 /nfs/dbraw/zinc/85/68/97/632856897.db2.gz RMOJAATZAYYMNE-NSHDSACASA-N 0 1 276.336 2.957 20 5 CFBDMN CCc1cc(CNc2c(OC)cccc2[N+](=O)[O-])n[nH]1 ZINC000848664958 633313385 /nfs/dbraw/zinc/31/33/85/633313385.db2.gz GQQPMRTXOVKUFP-UHFFFAOYSA-N 0 1 276.296 2.501 20 5 CFBDMN COc1ccc(C(C)C)cc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000848766271 633339476 /nfs/dbraw/zinc/33/94/76/633339476.db2.gz NWTHRNBEQGUCFX-CHWSQXEVSA-N 0 1 293.319 2.527 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2C[C@@H](O)C23CCC3)c1 ZINC000850388573 633971919 /nfs/dbraw/zinc/97/19/19/633971919.db2.gz OCVVNSYSXDUFJG-QWHCGFSZSA-N 0 1 296.754 2.641 20 5 CFBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCC1 ZINC000851138774 634242206 /nfs/dbraw/zinc/24/22/06/634242206.db2.gz OUEHXRUSHOBZSB-QMMMGPOBSA-N 0 1 252.270 2.658 20 5 CFBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853575018 635039173 /nfs/dbraw/zinc/03/91/73/635039173.db2.gz XIDVZXPGZCWXQD-CHWSQXEVSA-N 0 1 298.346 2.758 20 5 CFBDMN CC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000111690806 635147394 /nfs/dbraw/zinc/14/73/94/635147394.db2.gz RJRHKDDCMLHZQD-UHFFFAOYSA-N 0 1 276.336 2.704 20 5 CFBDMN CC[C@H](NC)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000854136982 635226257 /nfs/dbraw/zinc/22/62/57/635226257.db2.gz KBPMJZOBZWZSHO-JTQLQIEISA-N 0 1 276.296 2.624 20 5 CFBDMN Cc1ncccc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858518330 636280716 /nfs/dbraw/zinc/28/07/16/636280716.db2.gz GNNGOUMPMVLBHS-JTQLQIEISA-N 0 1 286.335 2.731 20 5 CFBDMN CCO[C@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000859207860 636502674 /nfs/dbraw/zinc/50/26/74/636502674.db2.gz AOPKUPJCZKPIMA-MRXNPFEDSA-N 0 1 290.363 2.768 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccnc(F)c1 ZINC000866474797 638826905 /nfs/dbraw/zinc/82/69/05/638826905.db2.gz ODVLPIMISJQIPR-CYBMUJFWSA-N 0 1 287.294 2.906 20 5 CFBDMN O=C(Nc1ncccc1O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000192734129 650590202 /nfs/dbraw/zinc/59/02/02/650590202.db2.gz PEXATOVHHYPUQR-UHFFFAOYSA-N 0 1 293.666 2.601 20 5 CFBDMN COCCN(Cc1cc(F)ccc1[N+](=O)[O-])CC(C)C ZINC000193052070 650619630 /nfs/dbraw/zinc/61/96/30/650619630.db2.gz NDSKGSHVLCDVFF-UHFFFAOYSA-N 0 1 284.331 2.838 20 5 CFBDMN CC(C)C[C@@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029219 641559006 /nfs/dbraw/zinc/55/90/06/641559006.db2.gz PDPGMCKLDNEHPW-GHMZBOCLSA-N 0 1 284.331 2.792 20 5 CFBDMN CC[C@](C)(O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034949 641566194 /nfs/dbraw/zinc/56/61/94/641566194.db2.gz SJASKWUBWMUZEN-RNCFNFMXSA-N 0 1 270.304 2.546 20 5 CFBDMN C[C@@H](NCC(C)(C)CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872041426 641575228 /nfs/dbraw/zinc/57/52/28/641575228.db2.gz SRVPANYROJLQJD-SNVBAGLBSA-N 0 1 284.331 2.793 20 5 CFBDMN C[C@H](NCCC1(C)OCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872061941 641593401 /nfs/dbraw/zinc/59/34/01/641593401.db2.gz HYDKEWHSIFILIA-JTQLQIEISA-N 0 1 298.314 2.538 20 5 CFBDMN C[C@H](NCCC(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872062923 641594313 /nfs/dbraw/zinc/59/43/13/641594313.db2.gz LZEBDKBGULBTLW-VIFPVBQESA-N 0 1 270.304 2.546 20 5 CFBDMN CC(C)[C@H](CO)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071146 641602247 /nfs/dbraw/zinc/60/22/47/641602247.db2.gz LALSCIXDZLLQLA-MNOVXSKESA-N 0 1 284.331 2.649 20 5 CFBDMN C[C@@H](NCCC1(CO)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077035 641608989 /nfs/dbraw/zinc/60/89/89/641608989.db2.gz XTADWNNHPFTYPX-SNVBAGLBSA-N 0 1 282.315 2.547 20 5 CFBDMN C[C@H](NC[C@@H](O)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079356 641612251 /nfs/dbraw/zinc/61/22/51/641612251.db2.gz XUIQDWLEWNDMEZ-TVQRCGJNSA-N 0 1 282.315 2.546 20 5 CFBDMN CCO[C@H]1C[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872084143 641618064 /nfs/dbraw/zinc/61/80/64/641618064.db2.gz DWWHFDLBEGBCIC-DCAQKATOSA-N 0 1 282.315 2.952 20 5 CFBDMN C[C@H](N[C@H]1C[C@@H](O)C12CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872083875 641618097 /nfs/dbraw/zinc/61/80/97/641618097.db2.gz BSAVATYGWQKYNJ-TVYUQYBPSA-N 0 1 294.326 2.688 20 5 CFBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC/C=C\CO ZINC000872086848 641619856 /nfs/dbraw/zinc/61/98/56/641619856.db2.gz YJGKCHPIYYWQKF-XOULXFPDSA-N 0 1 282.365 2.516 20 5 CFBDMN CCC[C@@H](CCO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094067 641625827 /nfs/dbraw/zinc/62/58/27/641625827.db2.gz YQDDVRMNOLWOBD-QWRGUYRKSA-N 0 1 284.331 2.936 20 5 CFBDMN Cc1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000872159875 641680581 /nfs/dbraw/zinc/68/05/81/641680581.db2.gz RPDLOBUKXULLAT-CYBMUJFWSA-N 0 1 292.335 2.732 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CCn1cccn1 ZINC000876732074 642987428 /nfs/dbraw/zinc/98/74/28/642987428.db2.gz WLDPVFYLVYXQCQ-UHFFFAOYSA-N 0 1 288.351 2.540 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC2(C1)CCCOC2 ZINC000877580881 643377882 /nfs/dbraw/zinc/37/78/82/643377882.db2.gz QQSYVEUURFDMFY-UHFFFAOYSA-N 0 1 290.363 2.824 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]2COC[C@@H]21 ZINC000877585379 643380630 /nfs/dbraw/zinc/38/06/30/643380630.db2.gz GGAONXBTBQTFAY-CJNGLKHVSA-N 0 1 290.363 2.822 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)Cc1cnc[nH]1 ZINC000877619653 643406379 /nfs/dbraw/zinc/40/63/79/643406379.db2.gz HMGCGXQHIBVHKL-UHFFFAOYSA-N 0 1 274.324 2.567 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CSC[C@H]3C2)c(F)c1 ZINC000877739170 643502894 /nfs/dbraw/zinc/50/28/94/643502894.db2.gz RRKOYLYSMYNSAF-NWDGAFQWSA-N 0 1 296.367 2.919 20 5 CFBDMN CC(C)[C@@H](O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000878286218 643822044 /nfs/dbraw/zinc/82/20/44/643822044.db2.gz LKLPXMHFWHQAOD-INIZCTEOSA-N 0 1 292.379 2.966 20 5 CFBDMN CC(C)[C@@H](O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000878286218 643822051 /nfs/dbraw/zinc/82/20/51/643822051.db2.gz LKLPXMHFWHQAOD-INIZCTEOSA-N 0 1 292.379 2.966 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879563541 644321913 /nfs/dbraw/zinc/32/19/13/644321913.db2.gz CIQNNRBYRSOIBZ-VXGBXAGGSA-N 0 1 296.367 2.919 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](CF)C1 ZINC000880299300 644639645 /nfs/dbraw/zinc/63/96/45/644639645.db2.gz FPNYCJXVAJNKBF-VIFPVBQESA-N 0 1 256.252 2.525 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCC3)O2)c(F)c1 ZINC000883363767 645770609 /nfs/dbraw/zinc/77/06/09/645770609.db2.gz MRXVOKOMJCDQQO-ZDUSSCGKSA-N 0 1 294.326 2.925 20 5 CFBDMN O=c1cc(C2CCCC2)[nH]n1-c1ccc([N+](=O)[O-])cc1 ZINC000132833428 645970507 /nfs/dbraw/zinc/97/05/07/645970507.db2.gz AAIORCPLXBYUDD-UHFFFAOYSA-N 0 1 273.292 2.878 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000886038480 646834934 /nfs/dbraw/zinc/83/49/34/646834934.db2.gz WJMBURXKDLNGJA-STQMWFEESA-N 0 1 293.392 2.850 20 5 CFBDMN CC1(C)CCN(Cc2cccnc2[N+](=O)[O-])CCS1 ZINC000886178976 646909253 /nfs/dbraw/zinc/90/92/53/646909253.db2.gz KIDLPAZXKWGVFU-UHFFFAOYSA-N 0 1 281.381 2.707 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H](C2CC2)C1 ZINC000886207490 646921300 /nfs/dbraw/zinc/92/13/00/646921300.db2.gz DUBFYYVDCUEIQB-LBPRGKRZSA-N 0 1 261.325 2.612 20 5 CFBDMN O=[N+]([O-])c1ncccc1C[N@H+]1CCCC2(CC2)CC1 ZINC000886302132 646959079 /nfs/dbraw/zinc/95/90/79/646959079.db2.gz GBGOWSYUZCMARE-UHFFFAOYSA-N 0 1 261.325 2.756 20 5 CFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000886333827 646974743 /nfs/dbraw/zinc/97/47/43/646974743.db2.gz NUQHTVOPFLHPBF-TXEJJXNPSA-N 0 1 276.336 2.834 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886676448 647105290 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/nfs/dbraw/zinc/28/89/65/625288965.db2.gz SVEUGDNCZZDMHB-OAHLLOKOSA-N 0 1 294.326 2.736 20 5 CFBDMN CCOC(CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000093446875 619023261 /nfs/dbraw/zinc/02/32/61/619023261.db2.gz OIACNZZQNMOFPS-LBPRGKRZSA-N 0 1 296.367 2.953 20 5 CFBDMN Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000107342936 619134389 /nfs/dbraw/zinc/13/43/89/619134389.db2.gz XEXLDJNRTMGIOQ-RBSFLKMASA-N 0 1 288.347 2.632 20 5 CFBDMN O=C(OCc1c(Cl)cccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000840672266 619308564 /nfs/dbraw/zinc/30/85/64/619308564.db2.gz GVRLZTTVBWCYAK-LHLIQPBNSA-N 0 1 290.102 2.702 20 5 CFBDMN COc1c(O)ccc(C[N@H+]2CC(C)(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000894924755 619513982 /nfs/dbraw/zinc/51/39/82/619513982.db2.gz AEPQUHAEPKFPMF-SNVBAGLBSA-N 0 1 294.351 2.929 20 5 CFBDMN COc1c(O)ccc(CN2CC(C)(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000894924755 619513984 /nfs/dbraw/zinc/51/39/84/619513984.db2.gz AEPQUHAEPKFPMF-SNVBAGLBSA-N 0 1 294.351 2.929 20 5 CFBDMN CCC(=O)c1ccc(N[C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000895737491 619597884 /nfs/dbraw/zinc/59/78/84/619597884.db2.gz WMXOHBXPFFNSRB-CMPLNLGQSA-N 0 1 291.351 2.692 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CC[C@@H](C3CC3)O2)c(F)c1 ZINC000897510482 620198430 /nfs/dbraw/zinc/19/84/30/620198430.db2.gz UQBWJGHQHOSGCW-ZFWWWQNUSA-N 0 1 294.326 2.781 20 5 CFBDMN CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000897683583 620271374 /nfs/dbraw/zinc/27/13/74/620271374.db2.gz FDZLNMQYDGKCBZ-ABAIWWIYSA-N 0 1 278.352 2.531 20 5 CFBDMN CC(C)c1ccc(CN2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000897683583 620271376 /nfs/dbraw/zinc/27/13/76/620271376.db2.gz FDZLNMQYDGKCBZ-ABAIWWIYSA-N 0 1 278.352 2.531 20 5 CFBDMN CC[N@@H+](CCC(=O)[O-])C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000901602751 620871579 /nfs/dbraw/zinc/87/15/79/620871579.db2.gz VGVHGIMDJHDZGH-FMIVXFBMSA-N 0 1 292.335 2.795 20 5 CFBDMN C[C@H](NC1CC(CCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903331276 621341014 /nfs/dbraw/zinc/34/10/14/621341014.db2.gz DCMHLVFTJVRART-WHXUTIOJSA-N 0 1 282.315 2.546 20 5 CFBDMN C[C@@H](NC1CC(CCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000903331274 621341334 /nfs/dbraw/zinc/34/13/34/621341334.db2.gz DCMHLVFTJVRART-KPPDAEKUSA-N 0 1 282.315 2.546 20 5 CFBDMN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000903608424 621402239 /nfs/dbraw/zinc/40/22/39/621402239.db2.gz HQJHPAZFZLGGHT-RISCZKNCSA-N 0 1 294.351 2.568 20 5 CFBDMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000903595802 621404379 /nfs/dbraw/zinc/40/43/79/621404379.db2.gz OQSUTGAVINYVLN-GXFFZTMASA-N 0 1 280.324 2.526 20 5 CFBDMN O=[N+]([O-])CCNC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000905257361 621728849 /nfs/dbraw/zinc/72/88/49/621728849.db2.gz UMVQBKQXTWRDFA-AWEZNQCLSA-N 0 1 298.770 2.674 20 5 CFBDMN C[C@@]1(CCOC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@]1(F)Cl ZINC000822071171 623027124 /nfs/dbraw/zinc/02/71/24/623027124.db2.gz VCYKFNXZCKISIM-MNOVXSKESA-N 0 1 290.678 2.784 20 5 CFBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@]1(C)CO ZINC000827698727 624068941 /nfs/dbraw/zinc/06/89/41/624068941.db2.gz BNCCJTOSGRBCDT-QMTHXVAHSA-N 0 1 298.770 2.699 20 5 CFBDMN O=[N+]([O-])c1ccc(N2CCN(CC3=CCCC3)CC2)cc1 ZINC000827712546 624073463 /nfs/dbraw/zinc/07/34/63/624073463.db2.gz JJRQOFYWQDPZDO-UHFFFAOYSA-N 0 1 287.363 2.827 20 5 CFBDMN CCc1nc(CNc2cc(C)c([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000828263696 624217033 /nfs/dbraw/zinc/21/70/33/624217033.db2.gz KGEAIBRPCSNXPQ-UHFFFAOYSA-N 0 1 295.730 2.849 20 5 CFBDMN Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1C ZINC000916854371 624288488 /nfs/dbraw/zinc/28/84/88/624288488.db2.gz HVRSDFLINJZQDH-UHFFFAOYSA-N 0 1 260.249 2.759 20 5 CFBDMN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000829243473 624406773 /nfs/dbraw/zinc/40/67/73/624406773.db2.gz DSQOTAFNTCNQCW-LLVKDONJSA-N 0 1 281.331 2.654 20 5 CFBDMN Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000918502102 624440366 /nfs/dbraw/zinc/44/03/66/624440366.db2.gz DJJHUXZAARSBCC-UHFFFAOYSA-N 0 1 260.249 2.588 20 5 CFBDMN Cc1ccc(O)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000922537196 626304593 /nfs/dbraw/zinc/30/45/93/626304593.db2.gz APSBBEROQSUDJK-LLVKDONJSA-N 0 1 287.319 2.855 20 5 CFBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H]1C1(O)CC1 ZINC000839141732 626528557 /nfs/dbraw/zinc/52/85/57/626528557.db2.gz XRPNQLZRTBWNSN-AWEZNQCLSA-N 0 1 294.326 2.613 20 5 CFBDMN CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000839508735 626538301 /nfs/dbraw/zinc/53/83/01/626538301.db2.gz KIHPDONGWCMPNT-GRYCIOLGSA-N 0 1 282.727 2.573 20 5 CFBDMN CC(C)(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839563800 626547282 /nfs/dbraw/zinc/54/72/82/626547282.db2.gz OCPOPNKSTOGASQ-UPJWGTAASA-N 0 1 276.336 2.555 20 5 CFBDMN CCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1F ZINC000839702912 626550984 /nfs/dbraw/zinc/55/09/84/626550984.db2.gz XLOSJQRBQREPPT-KGYLQXTDSA-N 0 1 298.289 2.587 20 5 CFBDMN CCc1onc(C)c1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000760079628 626712951 /nfs/dbraw/zinc/71/29/51/626712951.db2.gz PZOLMTAATIIWKU-UHFFFAOYSA-N 0 1 293.254 2.845 20 5 CFBDMN Cc1noc(CN2C[C@H](C)CC2(C)C)c1[N+](=O)[O-] ZINC000851799638 634536977 /nfs/dbraw/zinc/53/69/77/634536977.db2.gz STSWUEVMRDSNAS-MRVPVSSYSA-N 0 1 253.302 2.512 20 5 CFBDMN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC1 ZINC000767613417 627264496 /nfs/dbraw/zinc/26/44/96/627264496.db2.gz SNVXEEBSPLQLGM-UHFFFAOYSA-N 0 1 288.347 2.928 20 5 CFBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cccc(F)n1 ZINC000852018522 634628733 /nfs/dbraw/zinc/62/87/33/634628733.db2.gz NXXPUYCOPQIBBA-UHFFFAOYSA-N 0 1 289.310 2.803 20 5 CFBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1F ZINC000779272770 628367839 /nfs/dbraw/zinc/36/78/39/628367839.db2.gz DJVDLODGKKHGGE-QMMMGPOBSA-N 0 1 278.239 2.980 20 5 CFBDMN Cc1nn(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1[N+](=O)[O-] ZINC000779858533 628414852 /nfs/dbraw/zinc/41/48/52/628414852.db2.gz IFRCHABGKUKFHT-VTXSZYRJSA-N 0 1 290.367 2.568 20 5 CFBDMN Cc1nn(CN2CC[C@@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000784034286 628767125 /nfs/dbraw/zinc/76/71/25/628767125.db2.gz VHVMJQAYVKDLAL-GFCCVEGCSA-N 0 1 280.372 2.734 20 5 CFBDMN O=[N+]([O-])CCNC1(c2ccc(Cl)cc2)CCC1 ZINC000791053738 629283509 /nfs/dbraw/zinc/28/35/09/629283509.db2.gz FTGZYVKAHVTZES-UHFFFAOYSA-N 0 1 254.717 2.586 20 5 CFBDMN O=C(CCC1CCC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837561338 631066841 /nfs/dbraw/zinc/06/68/41/631066841.db2.gz OBKAIUCJHDAEPR-UHFFFAOYSA-N 0 1 279.292 2.924 20 5 CFBDMN CS[C@H](C)CCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837613730 631086102 /nfs/dbraw/zinc/08/61/02/631086102.db2.gz XCJQBFQKRXOOOB-SECBINFHSA-N 0 1 299.348 2.875 20 5 CFBDMN C[C@H]1CC[C@@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000837616906 631087350 /nfs/dbraw/zinc/08/73/50/631087350.db2.gz RVQDSYMDHLGPIW-VHSXEESVSA-N 0 1 279.292 2.780 20 5 CFBDMN CC[C@@H](C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837662377 631100859 /nfs/dbraw/zinc/10/08/59/631100859.db2.gz KTTFTWMKAIJHRV-SECBINFHSA-N 0 1 267.281 2.780 20 5 CFBDMN O=C(O[C@H]1CCCc2c(F)cc(F)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000841246286 631368468 /nfs/dbraw/zinc/36/84/68/631368468.db2.gz BATKSSKXHYQYCD-RTXFEEFZSA-N 0 1 297.257 2.551 20 5 CFBDMN Cc1cn[nH]c1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000811454976 631565444 /nfs/dbraw/zinc/56/54/44/631565444.db2.gz VDCQGWZUNYYQCH-UHFFFAOYSA-N 0 1 294.742 2.912 20 5 CFBDMN CC[C@H](C)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842283223 631579299 /nfs/dbraw/zinc/57/92/99/631579299.db2.gz VITSBBRZBCGOPJ-ZWKOPEQDSA-N 0 1 263.293 2.771 20 5 CFBDMN Cc1ccc(C[C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1 ZINC000842313545 631587941 /nfs/dbraw/zinc/58/79/41/631587941.db2.gz PFCGJUDMCTZCRJ-KFWWJZLASA-N 0 1 289.331 2.525 20 5 CFBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](CCO)CC1 ZINC000817299398 632599065 /nfs/dbraw/zinc/59/90/65/632599065.db2.gz ZFAZPJSPFIEVFC-GFCCVEGCSA-N 0 1 296.342 2.718 20 5 CFBDMN C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCC1 ZINC000817753685 632705663 /nfs/dbraw/zinc/70/56/63/632705663.db2.gz YFLYKEDBXFLEMF-QMMMGPOBSA-N 0 1 252.270 2.516 20 5 CFBDMN O=C(OCc1cc(C2CC2)[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000848015708 633188305 /nfs/dbraw/zinc/18/83/05/633188305.db2.gz QQDJWQQRSZSCQT-UHFFFAOYSA-N 0 1 287.275 2.552 20 5 CFBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@H]1CC1CCCC1 ZINC000848507083 633268316 /nfs/dbraw/zinc/26/83/16/633268316.db2.gz UCDKKKFEPDEQGB-ZDUSSCGKSA-N 0 1 278.356 2.794 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCOC1CCC1 ZINC000850452313 633998985 /nfs/dbraw/zinc/99/89/85/633998985.db2.gz OJXQSRPODFQGGS-LLVKDONJSA-N 0 1 294.351 2.823 20 5 CFBDMN O=C(OC[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000851158718 634252107 /nfs/dbraw/zinc/25/21/07/634252107.db2.gz ZRXLBEWRVVLGMT-SGIHWFKDSA-N 0 1 295.257 2.564 20 5 CFBDMN O=[N+]([O-])c1ccnn1CN1CC[C@H](C2CCCCC2)C1 ZINC000853555588 635035902 /nfs/dbraw/zinc/03/59/02/635035902.db2.gz ZBVFRTXXVQOIQT-ZDUSSCGKSA-N 0 1 278.356 2.651 20 5 CFBDMN Cc1nn(CN2CC[C@H]3C[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000853579863 635041783 /nfs/dbraw/zinc/04/17/83/635041783.db2.gz ZYZRLDJGZLZWMU-RYUDHWBXSA-N 0 1 286.335 2.552 20 5 CFBDMN O=[N+]([O-])c1ccnn1CN1CCCC[C@@H]1CC1CCC1 ZINC000853604745 635046781 /nfs/dbraw/zinc/04/67/81/635046781.db2.gz HYLROTKOFROJNU-CYBMUJFWSA-N 0 1 278.356 2.794 20 5 CFBDMN CC[C@@H](NC)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000854136983 635225643 /nfs/dbraw/zinc/22/56/43/635225643.db2.gz KBPMJZOBZWZSHO-SNVBAGLBSA-N 0 1 276.296 2.624 20 5 CFBDMN CCC(CC)CN(CC)Cn1cc([N+](=O)[O-])cn1 ZINC000077442067 650425049 /nfs/dbraw/zinc/42/50/49/650425049.db2.gz JTGQDKNMVFBCHA-UHFFFAOYSA-N 0 1 254.334 2.507 20 5 CFBDMN Cc1cc([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000866540682 638838601 /nfs/dbraw/zinc/83/86/01/638838601.db2.gz RNRDQXMWOVYVKX-LBPRGKRZSA-N 0 1 288.351 2.796 20 5 CFBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC(c3ccccc3)C2)c1 ZINC000871988065 641544500 /nfs/dbraw/zinc/54/45/00/641544500.db2.gz HRACHHLOYMWZRC-KRWDZBQOSA-N 0 1 298.342 2.728 20 5 CFBDMN CCOCCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872015947 641547424 /nfs/dbraw/zinc/54/74/24/641547424.db2.gz AOAZZHFMBODADQ-SNVBAGLBSA-N 0 1 270.304 2.811 20 5 CFBDMN CC[C@H](C)[C@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036137 641568358 /nfs/dbraw/zinc/56/83/58/641568358.db2.gz QJIOQXREDKEKHJ-OPQQBVKSSA-N 0 1 284.331 2.792 20 5 CFBDMN C[C@H](NC[C@](C)(O)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035998 641568497 /nfs/dbraw/zinc/56/84/97/641568497.db2.gz OTUWIZRHBYEEIK-XPTSAGLGSA-N 0 1 282.315 2.546 20 5 CFBDMN C[C@H](N[C@@H](CCO)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049561 641583645 /nfs/dbraw/zinc/58/36/45/641583645.db2.gz STGDBRQQHSEHFU-CABZTGNLSA-N 0 1 282.315 2.546 20 5 CFBDMN C[C@@H](NCCC[C@H](C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872068424 641599866 /nfs/dbraw/zinc/59/98/66/641599866.db2.gz XLVLGTPGCBXZQO-VHSXEESVSA-N 0 1 270.304 2.546 20 5 CFBDMN C[C@@H](O)CCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872068422 641600257 /nfs/dbraw/zinc/60/02/57/641600257.db2.gz XLVLGTPGCBXZQO-NXEZZACHSA-N 0 1 270.304 2.546 20 5 CFBDMN CO[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872071935 641603536 /nfs/dbraw/zinc/60/35/36/641603536.db2.gz AGZTWQWONOPVJZ-NOZJJQNGSA-N 0 1 282.315 2.810 20 5 CFBDMN C[C@@H](N[C@H]1CC12CC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872082028 641615723 /nfs/dbraw/zinc/61/57/23/641615723.db2.gz NRMIWGLJMDKTNG-KCJUWKMLSA-N 0 1 250.273 2.937 20 5 CFBDMN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872089732 641623116 /nfs/dbraw/zinc/62/31/16/641623116.db2.gz CVXSCBNFUAGWAZ-NURSFMCSSA-N 0 1 294.326 2.952 20 5 CFBDMN CO[C@H](CNCc1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000873050419 641995508 /nfs/dbraw/zinc/99/55/08/641995508.db2.gz WASFSKGWSJHJDY-LLVKDONJSA-N 0 1 292.257 2.570 20 5 CFBDMN Cc1c(CN[C@@H]2C[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873149824 642031440 /nfs/dbraw/zinc/03/14/40/642031440.db2.gz URRIBZMJNSUGNT-NXEZZACHSA-N 0 1 274.242 2.944 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)c(F)c1 ZINC000873155885 642038607 /nfs/dbraw/zinc/03/86/07/642038607.db2.gz HWULTLWCDVVFCJ-VZJVUDMVSA-N 0 1 294.326 2.781 20 5 CFBDMN CC(C)(C)[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000873574066 642256298 /nfs/dbraw/zinc/25/62/98/642256298.db2.gz MXTACIGWQROEDC-MWLCHTKSSA-N 0 1 296.323 2.673 20 5 CFBDMN CCc1[nH]nc(C(=O)N2CCCC2(CC)CC)c1[N+](=O)[O-] ZINC000874628135 642431397 /nfs/dbraw/zinc/43/13/97/642431397.db2.gz GZGRDUOVVJBTAB-UHFFFAOYSA-N 0 1 294.355 2.675 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CCN(CCC[C@H]1CCO1)C2 ZINC000876739858 642989162 /nfs/dbraw/zinc/98/91/62/642989162.db2.gz KJWKRFYAYPTOOP-ZDUSSCGKSA-N 0 1 276.336 2.522 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000877615393 643401281 /nfs/dbraw/zinc/40/12/81/643401281.db2.gz QIFNHSQIYWCYFR-TXEJJXNPSA-N 0 1 282.290 2.909 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3CSC[C@H]3C2)cc1F ZINC000879565932 644326659 /nfs/dbraw/zinc/32/66/59/644326659.db2.gz RLKBERVUSFBGRU-VXGBXAGGSA-N 0 1 296.367 2.919 20 5 CFBDMN C[C@@H]1CCN[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000127934150 644378900 /nfs/dbraw/zinc/37/89/00/644378900.db2.gz IBSFIRQHGHICPZ-SKDRFNHKSA-N 0 1 288.307 2.705 20 5 CFBDMN CCC[C@H](C)[C@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000130756634 645563628 /nfs/dbraw/zinc/56/36/28/645563628.db2.gz GDOLQHAEEVTEBM-NWDGAFQWSA-N 0 1 266.345 2.649 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@]2(CCSC2)C1 ZINC000886237026 646933566 /nfs/dbraw/zinc/93/35/66/646933566.db2.gz TZIIQGBVCLJCKR-CQSZACIVSA-N 0 1 293.392 2.709 20 5 CFBDMN CC(C)[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000886542448 647038722 /nfs/dbraw/zinc/03/87/22/647038722.db2.gz AEJMQAMYGXANDO-HNNXBMFYSA-N 0 1 288.351 2.815 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CC[C@H]([C@H]3CCCO3)C2)cs1 ZINC000886832044 647155517 /nfs/dbraw/zinc/15/55/17/647155517.db2.gz ABCLUBPUNFWRQY-NWDGAFQWSA-N 0 1 282.365 2.657 20 5 CFBDMN C[C@@H]1C[C@@H]1[C@@H](NCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000930239236 649212077 /nfs/dbraw/zinc/21/20/77/649212077.db2.gz UZFAMUPEZHZBRN-ICCXJUOJSA-N 0 1 268.744 2.903 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931924761 649512533 /nfs/dbraw/zinc/51/25/33/649512533.db2.gz XYFOZPMAFATNFX-DOTOQJQBSA-N 0 1 295.342 2.763 20 5 CFBDMN CC(C)(C)OC[C@@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000932169279 649557406 /nfs/dbraw/zinc/55/74/06/649557406.db2.gz PPHYJCDEJLAYEW-ZDUSSCGKSA-N 0 1 293.367 2.769 20 5 CFBDMN Cc1ccc(CN2CCO[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000932334217 649578855 /nfs/dbraw/zinc/57/88/55/649578855.db2.gz AHSXMLPVKKSYSP-LBPRGKRZSA-N 0 1 264.325 2.514 20 5 CFBDMN O=[N+]([O-])c1ccc(CCN[C@@H](c2ncccn2)C2CC2)cc1 ZINC000932361866 649585445 /nfs/dbraw/zinc/58/54/45/649585445.db2.gz YRFRMRPSUXCGBS-OAHLLOKOSA-N 0 1 298.346 2.668 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1CCC(O)(C2CCC2)CC1 ZINC000932814768 649645520 /nfs/dbraw/zinc/64/55/20/649645520.db2.gz JHUODIYAHYHBFZ-UHFFFAOYSA-N 0 1 290.363 2.722 20 5 CFBDMN CO[C@@H]1CC[C@@H]1N(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934123365 649752420 /nfs/dbraw/zinc/75/24/20/649752420.db2.gz AFXYKSOAWHOEIZ-LEWSCRJBSA-N 0 1 264.325 2.765 20 5 CFBDMN C[C@H](Cc1cccnc1)NCc1c(F)cccc1[N+](=O)[O-] ZINC000934235395 649764931 /nfs/dbraw/zinc/76/49/31/649764931.db2.gz UBOVVJWJDXLRHM-LLVKDONJSA-N 0 1 289.310 2.850 20 5 CFBDMN COc1cc([C@H](C)NCC[N+](=O)[O-])cc2ccccc21 ZINC000934629350 649807035 /nfs/dbraw/zinc/80/70/35/649807035.db2.gz DMYMZJFKJGHVHC-NSHDSACASA-N 0 1 274.320 2.776 20 5 CFBDMN CSCC(C)(C)NCc1c(F)cccc1[N+](=O)[O-] ZINC000934673438 649814138 /nfs/dbraw/zinc/81/41/38/649814138.db2.gz FSLBAFJQZHDFQN-UHFFFAOYSA-N 0 1 272.345 2.965 20 5 CFBDMN Cc1cn2c(n1)[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC001225491707 775478273 /nfs/dbraw/zinc/47/82/73/775478273.db2.gz RXHFWLAVEFJHIT-LBPRGKRZSA-N 0 1 289.291 2.719 20 5 CFBDMN C[C@@H](CC(=O)OC(C)(C)C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225488962 775479150 /nfs/dbraw/zinc/47/91/50/775479150.db2.gz OCGJTINZZSEXJY-VIFPVBQESA-N 0 1 297.307 2.800 20 5 CFBDMN C[N@H+]1CCC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227152869 776117788 /nfs/dbraw/zinc/11/77/88/776117788.db2.gz FHRYAOGNSHFDPX-MRVPVSSYSA-N 0 1 288.706 2.860 20 5 CFBDMN CN1CCC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227152869 776117795 /nfs/dbraw/zinc/11/77/95/776117795.db2.gz FHRYAOGNSHFDPX-MRVPVSSYSA-N 0 1 288.706 2.860 20 5 CFBDMN Cc1nnc(=S)[nH]c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001227599284 776237930 /nfs/dbraw/zinc/23/79/30/776237930.db2.gz XRLFTZINZHERIM-QMMMGPOBSA-N 0 1 292.320 2.517 20 5 CFBDMN Cc1nnc(=S)[nH]c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001227600483 776238092 /nfs/dbraw/zinc/23/80/92/776238092.db2.gz DGJCRBGXQJFGCD-QMMMGPOBSA-N 0 1 292.320 2.517 20 5 CFBDMN CCC(CC)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241986 776432129 /nfs/dbraw/zinc/43/21/29/776432129.db2.gz HMEHMIPMDATNDS-UHFFFAOYSA-N 0 1 277.280 2.811 20 5 CFBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CC[C@H](C3CC3)O2)cs1 ZINC000722319646 776449283 /nfs/dbraw/zinc/44/92/83/776449283.db2.gz JRDRKIGVJVJYIC-NWDGAFQWSA-N 0 1 282.365 2.704 20 5 CFBDMN CC[C@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228609712 776538315 /nfs/dbraw/zinc/53/83/15/776538315.db2.gz GWZFHVHKFUDAEF-VIFPVBQESA-N 0 1 281.312 2.781 20 5 CFBDMN CC(C)=CCC[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229379588 776795701 /nfs/dbraw/zinc/79/57/01/776795701.db2.gz VBTSOBICITZEPG-SECBINFHSA-N 0 1 281.312 2.913 20 5 CFBDMN Cc1ccc([C@H](C)Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC001229380866 776797040 /nfs/dbraw/zinc/79/70/40/776797040.db2.gz MFVDFXYAVWTUGE-VIFPVBQESA-N 0 1 289.291 2.847 20 5 CFBDMN CC(C)N1CCC[C@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229918702 776917944 /nfs/dbraw/zinc/91/79/44/776917944.db2.gz GLMPXPKTEUSYHZ-JTQLQIEISA-N 0 1 299.758 2.895 20 5 CFBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC[C@H]1CCC=CO1 ZINC001230595037 777021812 /nfs/dbraw/zinc/02/18/12/777021812.db2.gz IIBVWAKGPWILQE-SNVBAGLBSA-N 0 1 275.264 2.543 20 5 CFBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CCc2cccnc21 ZINC001230601854 777024196 /nfs/dbraw/zinc/02/41/96/777024196.db2.gz RMCWCPSWKFSQSQ-CYBMUJFWSA-N 0 1 296.286 2.932 20 5 CFBDMN CCC[C@H](CC)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231259440 777178953 /nfs/dbraw/zinc/17/89/53/777178953.db2.gz LNTMEHVYLHAEQB-VIFPVBQESA-N 0 1 254.286 2.961 20 5 CFBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CC[C@H](C)CC2)n1 ZINC001231260633 777180460 /nfs/dbraw/zinc/18/04/60/777180460.db2.gz UYNSNJDIEIEOPZ-CZMCAQCFSA-N 0 1 266.297 2.961 20 5 CFBDMN Cc1nc(O[C@@H](C)CCC(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378681 778301219 /nfs/dbraw/zinc/30/12/19/778301219.db2.gz IXPWSEDEASEXQO-QMMMGPOBSA-N 0 1 269.301 2.602 20 5 CFBDMN CC(C)(CC1CCCCCC1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001128149987 780234961 /nfs/dbraw/zinc/23/49/61/780234961.db2.gz DMEOWXPZDJQTSM-CHWSQXEVSA-N 0 1 282.384 2.907 20 5 CFBDMN C[C@H](CNc1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594592289 349453957 /nfs/dbraw/zinc/45/39/57/349453957.db2.gz PFSIDTADKSFAPF-UPJWGTAASA-N 0 1 293.367 2.504 20 5 CFBDMN C[C@H]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)O1 ZINC000594983575 349538861 /nfs/dbraw/zinc/53/88/61/349538861.db2.gz FSRPGPVDUJMFSC-GWCFXTLKSA-N 0 1 282.315 2.781 20 5 CFBDMN C[C@H](O)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595007014 349546418 /nfs/dbraw/zinc/54/64/18/349546418.db2.gz OJGWLVBCSSYPPY-BLLLJJGKSA-N 0 1 286.331 2.807 20 5 CFBDMN Cc1noc(CN2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595313023 349599818 /nfs/dbraw/zinc/59/98/18/349599818.db2.gz QYHZWDQYEJBVSI-IUCAKERBSA-N 0 1 253.302 2.654 20 5 CFBDMN CCOC[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595319734 349601286 /nfs/dbraw/zinc/60/12/86/349601286.db2.gz CWCKQPAWHSPMOP-GFCCVEGCSA-N 0 1 296.342 2.982 20 5 CFBDMN CC[C@@H]1C[C@@H](C)CN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595333337 349604725 /nfs/dbraw/zinc/60/47/25/349604725.db2.gz SDHLGGRPJWXGCO-PSASIEDQSA-N 0 1 253.302 2.512 20 5 CFBDMN CC(C)OCCCN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595330203 349603188 /nfs/dbraw/zinc/60/31/88/349603188.db2.gz KSYLPIHBBFXCFI-UHFFFAOYSA-N 0 1 284.331 2.981 20 5 CFBDMN C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000595348603 349608870 /nfs/dbraw/zinc/60/88/70/349608870.db2.gz UEZFAHHKDILKJY-NXEZZACHSA-N 0 1 252.289 2.964 20 5 CFBDMN C[C@@H]1[C@@H](C)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595348605 349608941 /nfs/dbraw/zinc/60/89/41/349608941.db2.gz UEZFAHHKDILKJY-VHSXEESVSA-N 0 1 252.289 2.964 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]2COCC[C@H]21 ZINC000595337886 349605110 /nfs/dbraw/zinc/60/51/10/349605110.db2.gz CJWUYCYPDIPBKD-GXTWGEPZSA-N 0 1 294.326 2.735 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H]2COCC[C@H]21 ZINC000595337889 349605381 /nfs/dbraw/zinc/60/53/81/349605381.db2.gz CJWUYCYPDIPBKD-TZMCWYRMSA-N 0 1 294.326 2.735 20 5 CFBDMN CCS[C@H]1CCC[C@@H]1NCc1onc(C)c1[N+](=O)[O-] ZINC000595482965 349639317 /nfs/dbraw/zinc/63/93/17/349639317.db2.gz DHELQRAKLXLBJX-ONGXEEELSA-N 0 1 285.369 2.655 20 5 CFBDMN COC[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595523515 349650296 /nfs/dbraw/zinc/65/02/96/349650296.db2.gz RQAWCLDKVVALSL-GFCCVEGCSA-N 0 1 296.342 2.982 20 5 CFBDMN C[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1CCO ZINC000595689170 349701259 /nfs/dbraw/zinc/70/12/59/349701259.db2.gz MQTRKPFVVGAEAJ-FZMZJTMJSA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@H](CO)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000595679746 349698135 /nfs/dbraw/zinc/69/81/35/349698135.db2.gz XNNGAZZDUZFDKU-IAQYHMDHSA-N 0 1 296.342 2.717 20 5 CFBDMN Cc1cc(N2CCCc3[nH]ncc3C2)c(F)cc1[N+](=O)[O-] ZINC000596001213 349774931 /nfs/dbraw/zinc/77/49/31/349774931.db2.gz MUTBEAHIMHBNFC-UHFFFAOYSA-N 0 1 290.298 2.718 20 5 CFBDMN COc1ccc(CN2CC3CC2(C)C3)cc1[N+](=O)[O-] ZINC000595914451 349768089 /nfs/dbraw/zinc/76/80/89/349768089.db2.gz AEXVCVROTWOZEX-UHFFFAOYSA-N 0 1 262.309 2.588 20 5 CFBDMN O=[N+]([O-])c1cccnc1NC[C@H]1CCN1Cc1ccccc1 ZINC000596551642 349939370 /nfs/dbraw/zinc/93/93/70/349939370.db2.gz HPGCMYKEEAVUQF-CQSZACIVSA-N 0 1 298.346 2.676 20 5 CFBDMN O=[N+]([O-])c1ccc(NC[C@@H]2CCN2Cc2ccccc2)cn1 ZINC000596558115 349941705 /nfs/dbraw/zinc/94/17/05/349941705.db2.gz NQXXYASJJJJMHB-HNNXBMFYSA-N 0 1 298.346 2.676 20 5 CFBDMN C[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000016880845 346239186 /nfs/dbraw/zinc/23/91/86/346239186.db2.gz HFSZLKADVKANGY-NSHDSACASA-N 0 1 292.335 2.693 20 5 CFBDMN CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000026834128 346266768 /nfs/dbraw/zinc/26/67/68/346266768.db2.gz WXGGTBTYJOKYNO-UHFFFAOYSA-N 0 1 298.349 2.713 20 5 CFBDMN CCC[C@@H](C)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000042077358 346360146 /nfs/dbraw/zinc/36/01/46/346360146.db2.gz FNJYQZHEFJDRPT-SECBINFHSA-N 0 1 290.323 2.732 20 5 CFBDMN C[C@@H]1C[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000092540219 347631658 /nfs/dbraw/zinc/63/16/58/347631658.db2.gz GXXUQEJCPWNNND-NXEZZACHSA-N 0 1 282.365 2.626 20 5 CFBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)(C)C ZINC000092217577 347613027 /nfs/dbraw/zinc/61/30/27/347613027.db2.gz UJVLHSKZBIPMQE-UHFFFAOYSA-N 0 1 252.314 2.778 20 5 CFBDMN C[C@@H]1SCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000093499501 347677852 /nfs/dbraw/zinc/67/78/52/347677852.db2.gz VOBPWDIHBRBTTM-UWVGGRQHSA-N 0 1 282.365 2.626 20 5 CFBDMN C[C@@H]1SCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000093499501 347677855 /nfs/dbraw/zinc/67/78/55/347677855.db2.gz VOBPWDIHBRBTTM-UWVGGRQHSA-N 0 1 282.365 2.626 20 5 CFBDMN CSC[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093760616 347682944 /nfs/dbraw/zinc/68/29/44/347682944.db2.gz WQVQZSUTVGDRAZ-LLVKDONJSA-N 0 1 282.365 2.628 20 5 CFBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)C[C@@H]2C)c1 ZINC000589501681 348836164 /nfs/dbraw/zinc/83/61/64/348836164.db2.gz AWKFDORQDZXAHN-QWRGUYRKSA-N 0 1 292.335 2.612 20 5 CFBDMN CC(C)c1nc(CNc2sccc2[N+](=O)[O-])n[nH]1 ZINC000590709321 348932686 /nfs/dbraw/zinc/93/26/86/348932686.db2.gz IOXDLBXLJUJWLA-UHFFFAOYSA-N 0 1 267.314 2.510 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 ZINC000590970291 348974672 /nfs/dbraw/zinc/97/46/72/348974672.db2.gz IBIHHTLPXZSPFU-CABCVRRESA-N 0 1 288.347 2.596 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@H]1C1(O)CC1 ZINC000590969008 348974752 /nfs/dbraw/zinc/97/47/52/348974752.db2.gz ZGONYARXNYQUDI-AWEZNQCLSA-N 0 1 294.326 2.613 20 5 CFBDMN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]2CCCN2)no1 ZINC000592356134 349107822 /nfs/dbraw/zinc/10/78/22/349107822.db2.gz WZCOIRVRNCPFSN-NSHDSACASA-N 0 1 288.307 2.686 20 5 CFBDMN CCOCCCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000593189460 349226076 /nfs/dbraw/zinc/22/60/76/349226076.db2.gz QBBUKESXXZLJMG-UHFFFAOYSA-N 0 1 271.338 2.960 20 5 CFBDMN COCC[C@H](C)SCc1cc(O)ccc1[N+](=O)[O-] ZINC000593189512 349226474 /nfs/dbraw/zinc/22/64/74/349226474.db2.gz RRGZVVXYTMRHMZ-VIFPVBQESA-N 0 1 271.338 2.959 20 5 CFBDMN C[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000593733935 349316316 /nfs/dbraw/zinc/31/63/16/349316316.db2.gz FQQXJGSLKFAQLB-MNOVXSKESA-N 0 1 292.335 2.913 20 5 CFBDMN C[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000593733937 349316375 /nfs/dbraw/zinc/31/63/75/349316375.db2.gz FQQXJGSLKFAQLB-QWRGUYRKSA-N 0 1 292.335 2.913 20 5 CFBDMN CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738710 349317262 /nfs/dbraw/zinc/31/72/62/349317262.db2.gz KBBAWMJBDGTUCH-MFKMUULPSA-N 0 1 292.335 2.913 20 5 CFBDMN CO[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091772321 180249335 /nfs/dbraw/zinc/24/93/35/180249335.db2.gz VSYPCYHFNRVHRN-BTKRWWFXSA-N 0 1 276.336 2.719 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000598550650 350281484 /nfs/dbraw/zinc/28/14/84/350281484.db2.gz MJZDDDCDELHPPM-VIFPVBQESA-N 0 1 294.355 2.559 20 5 CFBDMN CC1(C)CC[C@H](CO)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598646990 350301474 /nfs/dbraw/zinc/30/14/74/350301474.db2.gz JBMZXBVLGMJSRX-CQSZACIVSA-N 0 1 278.352 2.578 20 5 CFBDMN C[C@H](NCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000107904462 186197351 /nfs/dbraw/zinc/19/73/51/186197351.db2.gz KWDCLZPWHHZBOM-ZANVPECISA-N 0 1 284.743 2.905 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCCOC2)c1 ZINC000109544640 186262100 /nfs/dbraw/zinc/26/21/00/186262100.db2.gz SMUXRWRBUMFSKD-SNVBAGLBSA-N 0 1 270.716 2.517 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c2c(c1=O)[C@@H](C)CC2 ZINC000601934740 350807899 /nfs/dbraw/zinc/80/78/99/350807899.db2.gz DTMFQCFUOJRKPA-TVQRCGJNSA-N 0 1 273.292 2.652 20 5 CFBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)[C@H](C)CC2 ZINC000601938021 350809555 /nfs/dbraw/zinc/80/95/55/350809555.db2.gz FPMGSCYYIBXJGK-AMIZOPFISA-N 0 1 273.292 2.652 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)CC[C@H]2C ZINC000601942195 350812213 /nfs/dbraw/zinc/81/22/13/350812213.db2.gz HHMSXBFEVWFKFN-LDYMZIIASA-N 0 1 273.292 2.652 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)[C@H](C)CC2 ZINC000601944227 350812882 /nfs/dbraw/zinc/81/28/82/350812882.db2.gz XJZMGVKKWXMARR-AMIZOPFISA-N 0 1 273.292 2.652 20 5 CFBDMN Cn1cc(CN2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602436038 350881846 /nfs/dbraw/zinc/88/18/46/350881846.db2.gz UITUXHXQLPTIST-AWEZNQCLSA-N 0 1 286.335 2.665 20 5 CFBDMN C[C@@H](CN(C)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602456624 350889545 /nfs/dbraw/zinc/88/95/45/350889545.db2.gz BDSAYEPIEINKKR-LBPRGKRZSA-N 0 1 288.351 2.564 20 5 CFBDMN C[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CS1 ZINC000602690038 350980505 /nfs/dbraw/zinc/98/05/05/350980505.db2.gz JNTLNUDBUAIEHS-IUCAKERBSA-N 0 1 293.348 2.720 20 5 CFBDMN CC[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602802568 351031673 /nfs/dbraw/zinc/03/16/73/351031673.db2.gz QHVNUNQMYGVBCW-ZDUSSCGKSA-N 0 1 274.324 2.569 20 5 CFBDMN CC[N@@H+]1[C@H](C)CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602872905 351053907 /nfs/dbraw/zinc/05/39/07/351053907.db2.gz CQVZGGNYCQKQMU-OKILXGFUSA-N 0 1 291.395 2.552 20 5 CFBDMN Cn1cc(C[N@H+]2CC(C)(C)CCC2(C)C)c([N+](=O)[O-])n1 ZINC000602915722 351064014 /nfs/dbraw/zinc/06/40/14/351064014.db2.gz JMIWKZCSOAWYFD-UHFFFAOYSA-N 0 1 280.372 2.729 20 5 CFBDMN Cn1cc(CN2CC(C)(C)CCC2(C)C)c([N+](=O)[O-])n1 ZINC000602915722 351064018 /nfs/dbraw/zinc/06/40/18/351064018.db2.gz JMIWKZCSOAWYFD-UHFFFAOYSA-N 0 1 280.372 2.729 20 5 CFBDMN Cc1ccc([C@@H](C)NCc2ccncc2N)cc1[N+](=O)[O-] ZINC000603426873 351162616 /nfs/dbraw/zinc/16/26/16/351162616.db2.gz QXFIMKVIGKFRHW-LLVKDONJSA-N 0 1 286.335 2.731 20 5 CFBDMN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000610821175 351612577 /nfs/dbraw/zinc/61/25/77/351612577.db2.gz VQYGPQXHUXOKQK-LLVKDONJSA-N 0 1 274.324 2.786 20 5 CFBDMN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000610821175 351612578 /nfs/dbraw/zinc/61/25/78/351612578.db2.gz VQYGPQXHUXOKQK-LLVKDONJSA-N 0 1 274.324 2.786 20 5 CFBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000610582720 351583770 /nfs/dbraw/zinc/58/37/70/351583770.db2.gz RPPCMGKWZBIYBS-UHFFFAOYSA-N 0 1 261.281 2.720 20 5 CFBDMN O=[N+]([O-])c1cc2c(cc1CN1CCCCCC1)OCCO2 ZINC000611249428 351657197 /nfs/dbraw/zinc/65/71/97/351657197.db2.gz JOGMRQNHLDNJJX-UHFFFAOYSA-N 0 1 292.335 2.742 20 5 CFBDMN CC1(C)CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611271386 351660763 /nfs/dbraw/zinc/66/07/63/351660763.db2.gz PSAIJCOFICXPSL-UHFFFAOYSA-N 0 1 292.335 2.598 20 5 CFBDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123742012 187107255 /nfs/dbraw/zinc/10/72/55/187107255.db2.gz BLCAFDOTUKYIEI-RISCZKNCSA-N 0 1 296.342 2.859 20 5 CFBDMN O=[N+]([O-])c1ccc(CNCCOCC2CCC2)c(F)c1 ZINC000613175391 351909720 /nfs/dbraw/zinc/90/97/20/351909720.db2.gz UHILDUHOFVKHAG-UHFFFAOYSA-N 0 1 282.315 2.640 20 5 CFBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(C3CCC3)no2)c1 ZINC000614419944 352092646 /nfs/dbraw/zinc/09/26/46/352092646.db2.gz GLYSUNDDUCFLAD-UHFFFAOYSA-N 0 1 261.237 2.618 20 5 CFBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(C)ncn1 ZINC000615726137 352236007 /nfs/dbraw/zinc/23/60/07/352236007.db2.gz YRNMHSQGIYKFJI-WUXMJOGZSA-N 0 1 298.346 2.886 20 5 CFBDMN Cc1n[nH]cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000271473069 191158955 /nfs/dbraw/zinc/15/89/55/191158955.db2.gz JHQUQCRKUALLSS-NSHDSACASA-N 0 1 274.324 2.786 20 5 CFBDMN COCCCOCCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271488011 191169351 /nfs/dbraw/zinc/16/93/51/191169351.db2.gz HNMIWOSKZAHCHU-ZDUSSCGKSA-N 0 1 296.367 2.641 20 5 CFBDMN Cc1n[nH]cc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000616357150 352333897 /nfs/dbraw/zinc/33/38/97/352333897.db2.gz WGABYDMVFRCOIU-JTQLQIEISA-N 0 1 274.324 2.786 20 5 CFBDMN CO[C@H](C)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271576492 191222487 /nfs/dbraw/zinc/22/24/87/191222487.db2.gz ZYGMYEIAHWGTRU-RKDXNWHRSA-N 0 1 272.732 2.761 20 5 CFBDMN CCCC[C@H](CCC)CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153019505 188059288 /nfs/dbraw/zinc/05/92/88/188059288.db2.gz OGQXCRFLAZPZTO-JTQLQIEISA-N 0 1 282.344 2.654 20 5 CFBDMN Cc1nc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000292540627 198326139 /nfs/dbraw/zinc/32/61/39/198326139.db2.gz IHDVFKPVAVRWDR-SSDOTTSWSA-N 0 1 279.275 2.642 20 5 CFBDMN C[C@H](NC(=O)C(F)(F)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000271726755 191293390 /nfs/dbraw/zinc/29/33/90/191293390.db2.gz RGIAOXRDUHFBEN-LURJTMIESA-N 0 1 294.204 2.672 20 5 CFBDMN COC1(C)CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271775956 191318056 /nfs/dbraw/zinc/31/80/56/191318056.db2.gz RKIJAGOGTWTPSR-UHFFFAOYSA-N 0 1 264.325 2.596 20 5 CFBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(CO)c1 ZINC000271851257 191366945 /nfs/dbraw/zinc/36/69/45/191366945.db2.gz CQWRXTBKSDKNSZ-GFCCVEGCSA-N 0 1 286.331 2.938 20 5 CFBDMN Cc1cc(NCc2n[nH]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000294906261 199241949 /nfs/dbraw/zinc/24/19/49/199241949.db2.gz HTNASZRYIMBCOO-UHFFFAOYSA-N 0 1 273.296 2.511 20 5 CFBDMN C[C@H]1C[C@@H](NCCc2ccccc2[N+](=O)[O-])c2nccn21 ZINC000297671378 200257901 /nfs/dbraw/zinc/25/79/01/200257901.db2.gz LABNBVKDPWSZLX-WCQYABFASA-N 0 1 286.335 2.629 20 5 CFBDMN CCn1ccnc1[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000297668822 200258192 /nfs/dbraw/zinc/25/81/92/200258192.db2.gz KXLDSMSAUJCIGL-LBPRGKRZSA-N 0 1 288.351 2.705 20 5 CFBDMN C[C@H](N(C)CC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177227993 189038448 /nfs/dbraw/zinc/03/84/48/189038448.db2.gz BZLHIXHBBGKPAI-NSHDSACASA-N 0 1 291.351 2.654 20 5 CFBDMN CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000177431649 189050746 /nfs/dbraw/zinc/05/07/46/189050746.db2.gz QVYJBMQXFNSBFM-RYUDHWBXSA-N 0 1 293.367 2.501 20 5 CFBDMN CCCN(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184257802 189381520 /nfs/dbraw/zinc/38/15/20/189381520.db2.gz GPXNGVDADQCZQE-UHFFFAOYSA-N 0 1 256.277 2.584 20 5 CFBDMN O=C(NCCC1=CCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427673905 239328140 /nfs/dbraw/zinc/32/81/40/239328140.db2.gz XWCRKICCJKEJGI-UHFFFAOYSA-N 0 1 290.319 2.921 20 5 CFBDMN C[C@@H]1Cc2ccccc2N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432565818 240020482 /nfs/dbraw/zinc/02/04/82/240020482.db2.gz CAPQTORLQBBCRT-SNVBAGLBSA-N 0 1 298.298 2.892 20 5 CFBDMN CC(C)[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444639948 241157340 /nfs/dbraw/zinc/15/73/40/241157340.db2.gz OEGVJYRTZBONRW-LLVKDONJSA-N 0 1 288.351 2.949 20 5 CFBDMN Cc1ccncc1CNCc1ccc([N+](=O)[O-])cc1C ZINC000449524673 242003521 /nfs/dbraw/zinc/00/35/21/242003521.db2.gz OXUBJMOFOXYMQU-UHFFFAOYSA-N 0 1 271.320 2.896 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@]3(CCOC3)C2)c(F)c1 ZINC000449686130 242108811 /nfs/dbraw/zinc/10/88/11/242108811.db2.gz XLNASBSPJIGQME-OAHLLOKOSA-N 0 1 294.326 2.736 20 5 CFBDMN CC(C)c1ccc(CN2C[C@H](C)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000449764475 242146346 /nfs/dbraw/zinc/14/63/46/242146346.db2.gz BJPUCCXRJCXNGF-OCCSQVGLSA-N 0 1 292.379 2.921 20 5 CFBDMN CCC1(CO)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276319206 193286187 /nfs/dbraw/zinc/28/61/87/193286187.db2.gz OGCBACBFEHJWDJ-UHFFFAOYSA-N 0 1 296.342 2.718 20 5 CFBDMN CCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCC1 ZINC000458326186 244847831 /nfs/dbraw/zinc/84/78/31/244847831.db2.gz 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263.341 2.515 20 5 CFBDMN CO[C@@H]1CCCC[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000429486772 383536310 /nfs/dbraw/zinc/53/63/10/383536310.db2.gz BKWIKLWFEHNNJI-GXTWGEPZSA-N 0 1 282.315 2.781 20 5 CFBDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000570099937 383570744 /nfs/dbraw/zinc/57/07/44/383570744.db2.gz DJHOVVQKHDUODX-ZDUSSCGKSA-N 0 1 280.324 2.526 20 5 CFBDMN CC1(C)[C@H](NCc2c(F)cccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000451460717 383620524 /nfs/dbraw/zinc/62/05/24/383620524.db2.gz JULILUVRNWTVCK-CUOATXAZSA-N 0 1 294.326 2.637 20 5 CFBDMN O=C([O-])[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263431673 383665964 /nfs/dbraw/zinc/66/59/64/383665964.db2.gz SIEQQSNHDUPWRB-HZRUHFOJSA-N 0 1 290.319 2.547 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[C@H](C)O1 ZINC000453630718 383890269 /nfs/dbraw/zinc/89/02/69/383890269.db2.gz MMIWHIASHJNWNG-FZMZJTMJSA-N 0 1 294.351 2.651 20 5 CFBDMN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000573918148 384011741 /nfs/dbraw/zinc/01/17/41/384011741.db2.gz PSNRSOUSFNYFKV-UHFFFAOYSA-N 0 1 290.323 2.875 20 5 CFBDMN Cc1cnc(NC[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])c1 ZINC000266233733 384123425 /nfs/dbraw/zinc/12/34/25/384123425.db2.gz VCZXOSVCJVZLSB-LBPRGKRZSA-N 0 1 290.323 2.606 20 5 CFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCCO1 ZINC000266765499 384234206 /nfs/dbraw/zinc/23/42/06/384234206.db2.gz UXDHMWZZIBUQRJ-NEPJUHHUSA-N 0 1 264.325 2.767 20 5 CFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCCO1 ZINC000266765503 384234790 /nfs/dbraw/zinc/23/47/90/384234790.db2.gz UXDHMWZZIBUQRJ-RYUDHWBXSA-N 0 1 264.325 2.767 20 5 CFBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ncccc2[N+](=O)[O-])n[nH]1 ZINC000277501875 384320910 /nfs/dbraw/zinc/32/09/10/384320910.db2.gz VJMHGORMFSGBBX-BDAKNGLRSA-N 0 1 290.327 2.795 20 5 CFBDMN C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000267646524 384433352 /nfs/dbraw/zinc/43/33/52/384433352.db2.gz WOWIDZLXQKSGPA-SECBINFHSA-N 0 1 261.281 2.578 20 5 CFBDMN Cc1n[nH]cc1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278663258 384592661 /nfs/dbraw/zinc/59/26/61/384592661.db2.gz IVSMNVNARDFGSV-HNNXBMFYSA-N 0 1 286.335 2.794 20 5 CFBDMN Cc1ccc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000269693553 384839738 /nfs/dbraw/zinc/83/97/38/384839738.db2.gz JEMRWFIMAMVENC-OAHLLOKOSA-N 0 1 290.319 2.662 20 5 CFBDMN CCC(=O)c1ccc(NCc2cn[nH]c2C)c([N+](=O)[O-])c1 ZINC000280789263 385154696 /nfs/dbraw/zinc/15/46/96/385154696.db2.gz UKNPQMUUINVZAC-UHFFFAOYSA-N 0 1 288.307 2.831 20 5 CFBDMN CC1(C)SC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000282586150 385346235 /nfs/dbraw/zinc/34/62/35/385346235.db2.gz BWQOAWHLVWDDAF-LLVKDONJSA-N 0 1 252.339 2.578 20 5 CFBDMN CCC[C@H](CC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272460453 385542134 /nfs/dbraw/zinc/54/21/34/385542134.db2.gz CFUBQHHQKCXIEL-JTQLQIEISA-N 0 1 266.297 2.609 20 5 CFBDMN Cc1cc(C[C@@H](C)Nc2c(F)cccc2[N+](=O)[O-])[nH]n1 ZINC000286187641 385568697 /nfs/dbraw/zinc/56/86/97/385568697.db2.gz LKBZPPDAVKWNFD-MRVPVSSYSA-N 0 1 278.287 2.809 20 5 CFBDMN CCOc1cc(CN(C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000276976065 386097290 /nfs/dbraw/zinc/09/72/90/386097290.db2.gz XQBDHKQPQXVCKV-ZDUSSCGKSA-N 0 1 294.351 2.604 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CCCSC ZINC000281238802 195162717 /nfs/dbraw/zinc/16/27/17/195162717.db2.gz CUBPEIYFZYRPIV-UHFFFAOYSA-N 0 1 284.381 2.788 20 5 CFBDMN CC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCCO1 ZINC000281391114 195222473 /nfs/dbraw/zinc/22/24/73/195222473.db2.gz WVDVATQBVAYMPW-CYBMUJFWSA-N 0 1 294.351 2.604 20 5 CFBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000355613199 130320016 /nfs/dbraw/zinc/32/00/16/130320016.db2.gz HDKNVONDYDEJSL-UHFFFAOYSA-N 0 1 296.233 2.816 20 5 CFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCC[C@H]1O ZINC000249296393 131121545 /nfs/dbraw/zinc/12/15/45/131121545.db2.gz BRTCBZVQDQSGOC-UONOGXRCSA-N 0 1 298.770 2.984 20 5 CFBDMN CC(C)C[C@H]1CCCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000330954355 393553703 /nfs/dbraw/zinc/55/37/03/393553703.db2.gz MFTIXUYZSCJQNN-GFCCVEGCSA-N 0 1 280.372 2.586 20 5 CFBDMN CC[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246249231 393856812 /nfs/dbraw/zinc/85/68/12/393856812.db2.gz PEKAUNKIEWYRFU-NEPJUHHUSA-N 0 1 291.351 2.654 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C1CCC1 ZINC000430217766 393969831 /nfs/dbraw/zinc/96/98/31/393969831.db2.gz IGEMWDXAYMIAIL-UHFFFAOYSA-N 0 1 250.298 2.588 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CCCOC(C)C ZINC000430226113 393970655 /nfs/dbraw/zinc/97/06/55/393970655.db2.gz LVUIASSDOMLPLI-UHFFFAOYSA-N 0 1 296.367 2.850 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CC[C@H]1CCCO1 ZINC000430236564 393971460 /nfs/dbraw/zinc/97/14/60/393971460.db2.gz NTHHYNJMUQCSAW-CQSZACIVSA-N 0 1 294.351 2.604 20 5 CFBDMN C[C@H]1CC[C@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000430450687 393987709 /nfs/dbraw/zinc/98/77/09/393987709.db2.gz BHNWPWRKTUSRNK-ONGXEEELSA-N 0 1 278.308 2.561 20 5 CFBDMN CC(C)[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000432777019 394012587 /nfs/dbraw/zinc/01/25/87/394012587.db2.gz SBNYQNBMTREKJZ-OAHLLOKOSA-N 0 1 278.352 2.576 20 5 CFBDMN CC[C@@H](C)N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000296144312 394306104 /nfs/dbraw/zinc/30/61/04/394306104.db2.gz XKYXCIJTYIPOTD-SNVBAGLBSA-N 0 1 298.774 2.564 20 5 CFBDMN CC[C@H](C)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000450860023 394342203 /nfs/dbraw/zinc/34/22/03/394342203.db2.gz NMQDNWOMMHOAME-NSHDSACASA-N 0 1 281.331 2.654 20 5 CFBDMN C[C@@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000356582221 155308168 /nfs/dbraw/zinc/30/81/68/155308168.db2.gz SUWTXYPKIYXWBZ-BFVZDQMLSA-N 0 1 292.335 2.855 20 5 CFBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000356601936 155315083 /nfs/dbraw/zinc/31/50/83/155315083.db2.gz UMNCGRJPHAESEV-JTQLQIEISA-N 0 1 292.335 2.999 20 5 CFBDMN CC(C)[C@H](NCc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000356739685 155346418 /nfs/dbraw/zinc/34/64/18/155346418.db2.gz ONBRVWSFBVGAJP-AWEZNQCLSA-N 0 1 288.351 2.815 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C2CC2)CC1 ZINC000182697183 292295861 /nfs/dbraw/zinc/29/58/61/292295861.db2.gz FCPCOZOHKMCJIR-ZDUSSCGKSA-N 0 1 289.379 2.744 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc1F ZINC000374906473 157171929 /nfs/dbraw/zinc/17/19/29/157171929.db2.gz AMDRULNSVFXMLD-DOMZBBRYSA-N 0 1 294.326 2.735 20 5 CFBDMN O=C(N[C@H]1CC2CCC1CC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000351690353 163175325 /nfs/dbraw/zinc/17/53/25/163175325.db2.gz FHEUBIHPKGQHGG-FDZGAKKTSA-N 0 1 290.319 2.609 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cnn2ccccc12 ZINC000353032237 163292332 /nfs/dbraw/zinc/29/23/32/163292332.db2.gz FJJORSLYSLVZFO-UHFFFAOYSA-N 0 1 296.330 2.841 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1F ZINC000284753905 196125623 /nfs/dbraw/zinc/12/56/23/196125623.db2.gz LPVKBYODRSUPFP-LSDHHAIUSA-N 0 1 294.326 2.877 20 5 CFBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cn1 ZINC000285303362 196245857 /nfs/dbraw/zinc/24/58/57/196245857.db2.gz LKTLLFXUNIIUSM-UHFFFAOYSA-N 0 1 289.310 2.803 20 5 CFBDMN Cc1ccnc(NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000043561593 175066412 /nfs/dbraw/zinc/06/64/12/175066412.db2.gz IZYJFPQQXKDDJQ-UHFFFAOYSA-N 0 1 257.293 2.953 20 5 CFBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000044411797 175171808 /nfs/dbraw/zinc/17/18/08/175171808.db2.gz CQWSLVPIZQTNMA-VIFPVBQESA-N 0 1 281.743 2.897 20 5 CFBDMN CCOC[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000044690847 175233500 /nfs/dbraw/zinc/23/35/00/175233500.db2.gz NGTGOQYWTDJBMU-VIFPVBQESA-N 0 1 272.732 2.763 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1-c1nc(C2(N)CCCC2)no1 ZINC000044747988 175243423 /nfs/dbraw/zinc/24/34/23/175243423.db2.gz CUAOZLBVMNDJIT-UHFFFAOYSA-N 0 1 288.307 2.681 20 5 CFBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)O ZINC000078727818 177377327 /nfs/dbraw/zinc/37/73/27/177377327.db2.gz CZFBPCHQILZIRG-UHFFFAOYSA-N 0 1 296.367 2.585 20 5 CFBDMN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000525787193 262238493 /nfs/dbraw/zinc/23/84/93/262238493.db2.gz XVRVRLBTTQTJBG-TXEJJXNPSA-N 0 1 296.392 2.799 20 5 CFBDMN COc1cc(/C=C(/C)c2cnccn2)cc([N+](=O)[O-])c1O ZINC000095997442 265319703 /nfs/dbraw/zinc/31/97/03/265319703.db2.gz VIQPBDGGTBTWHH-UITAMQMPSA-N 0 1 287.275 2.660 20 5 CFBDMN Cc1ccnc(NCCc2ccccc2[N+](=O)[O-])c1 ZINC000301641074 274818190 /nfs/dbraw/zinc/81/81/90/274818190.db2.gz MFSCJGOCRRYYBI-UHFFFAOYSA-N 0 1 257.293 2.953 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000271026717 276040767 /nfs/dbraw/zinc/04/07/67/276040767.db2.gz ZVYBYBPSVOBYQA-ZJUUUORDSA-N 0 1 294.355 2.559 20 5 CFBDMN CCN1C[C@H](C)N(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000359099103 276250897 /nfs/dbraw/zinc/25/08/97/276250897.db2.gz OAASGUOUEPYALT-OLZOCXBDSA-N 0 1 292.383 2.526 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000269332189 278001346 /nfs/dbraw/zinc/00/13/46/278001346.db2.gz APESMSBSICHFNL-ZJUUUORDSA-N 0 1 294.355 2.702 20 5 CFBDMN C[C@@H](CO)N(Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000347235509 278288831 /nfs/dbraw/zinc/28/88/31/278288831.db2.gz RYPHSNFLSIQREZ-JTQLQIEISA-N 0 1 284.381 2.782 20 5 CFBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000163922592 278364750 /nfs/dbraw/zinc/36/47/50/278364750.db2.gz VHMQSIAKGIEFPQ-WDEREUQCSA-N 0 1 274.324 2.740 20 5 CFBDMN C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000358357648 278380014 /nfs/dbraw/zinc/38/00/14/278380014.db2.gz QYTXWQSXCSQYEE-SCZZXKLOSA-N 0 1 292.257 2.559 20 5 CFBDMN Cc1cn[nH]c1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000356056318 280282239 /nfs/dbraw/zinc/28/22/39/280282239.db2.gz MEVNFRHDOFAXLZ-UHFFFAOYSA-N 0 1 286.335 2.791 20 5 CFBDMN CC(C)c1nccn1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000436473523 280681117 /nfs/dbraw/zinc/68/11/17/280681117.db2.gz GQMBLMNGVKYDLV-UHFFFAOYSA-N 0 1 261.281 2.669 20 5 CFBDMN Cc1cccc(NCCNCc2csc([N+](=O)[O-])c2)n1 ZINC000133485384 280744626 /nfs/dbraw/zinc/74/46/26/280744626.db2.gz JHQFCBZFVHGBGA-UHFFFAOYSA-N 0 1 292.364 2.561 20 5 CFBDMN Cc1cc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000459455875 281265430 /nfs/dbraw/zinc/26/54/30/281265430.db2.gz GXUUKXAVCZBKMT-UHFFFAOYSA-N 0 1 295.726 2.877 20 5 CFBDMN CC(C)N(CC1CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000543711106 281653499 /nfs/dbraw/zinc/65/34/99/281653499.db2.gz XXYOWGPUNJULLG-UHFFFAOYSA-N 0 1 278.308 2.561 20 5 CFBDMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456460 288350578 /nfs/dbraw/zinc/35/05/78/288350578.db2.gz PDMCQCPKCKCWAM-JQWIXIFHSA-N 0 1 264.325 2.921 20 5 CFBDMN Cc1nnc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000109739556 302819607 /nfs/dbraw/zinc/81/96/07/302819607.db2.gz SYXIQEVBMMERRK-UHFFFAOYSA-N 0 1 298.711 2.660 20 5 CFBDMN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccoc1 ZINC000171050707 322399036 /nfs/dbraw/zinc/39/90/36/322399036.db2.gz JULXPLBMCSRUFA-HWKANZROSA-N 0 1 258.277 2.991 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000582009252 325168701 /nfs/dbraw/zinc/16/87/01/325168701.db2.gz XRINEDXLXUYQON-ZETOZRRWSA-N 0 1 292.335 2.698 20 5 CFBDMN Cc1nc(SCc2cc(O)ccc2[N+](=O)[O-])[nH]c1C ZINC000413004522 534532300 /nfs/dbraw/zinc/53/23/00/534532300.db2.gz SZGCYSGYWARITF-UHFFFAOYSA-N 0 1 279.321 2.933 20 5 CFBDMN CC[C@H](C)[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000057304130 521821166 /nfs/dbraw/zinc/82/11/66/521821166.db2.gz JRSXZJSPPZAMHK-DTWKUNHWSA-N 0 1 290.323 2.636 20 5 CFBDMN C[C@H](CO)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305823958 524567069 /nfs/dbraw/zinc/56/70/69/524567069.db2.gz MCOPCTXQSHTVHJ-MLGOLLRUSA-N 0 1 286.331 2.655 20 5 CFBDMN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC000361364272 524848831 /nfs/dbraw/zinc/84/88/31/524848831.db2.gz BKAHEDBZQGBSHX-QLFBSQMISA-N 0 1 288.347 2.632 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C ZINC000174415832 525458273 /nfs/dbraw/zinc/45/82/73/525458273.db2.gz HQEYTNSBACTJNI-JTQLQIEISA-N 0 1 250.298 2.588 20 5 CFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc([N+](=O)[O-])cn1 ZINC000444880508 536455947 /nfs/dbraw/zinc/45/59/47/536455947.db2.gz SQFLPKLQEBAJQN-UHFFFAOYSA-N 0 1 289.339 2.647 20 5 CFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ncccc1[N+](=O)[O-] ZINC000444879742 536456027 /nfs/dbraw/zinc/45/60/27/536456027.db2.gz WJUGPAFSXDFTKV-UHFFFAOYSA-N 0 1 289.339 2.647 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000360537096 527385915 /nfs/dbraw/zinc/38/59/15/527385915.db2.gz OHWHKAVXWPGLHG-GJZGRUSLSA-N 0 1 276.336 2.738 20 5 CFBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000236046432 527388340 /nfs/dbraw/zinc/38/83/40/527388340.db2.gz PRNZVIHNZSNFAB-TZMCWYRMSA-N 0 1 296.754 2.905 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](Oc2ccncc2)C1 ZINC000156405304 527400804 /nfs/dbraw/zinc/40/08/04/527400804.db2.gz JLZQRJYELCPPHW-HNNXBMFYSA-N 0 1 299.330 2.643 20 5 CFBDMN CC(C)C[C@H](N)c1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000414614597 528555946 /nfs/dbraw/zinc/55/59/46/528555946.db2.gz HHFACYDRFYNPOD-NSHDSACASA-N 0 1 294.286 2.830 20 5 CFBDMN O=C(OCc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000730697167 574092349 /nfs/dbraw/zinc/09/23/49/574092349.db2.gz KUDLETHTKKFANM-UHFFFAOYSA-N 0 1 297.270 2.828 20 5 CFBDMN CSCCCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000756136916 574212159 /nfs/dbraw/zinc/21/21/59/574212159.db2.gz RLTRSAICUKPNTQ-UHFFFAOYSA-N 0 1 272.326 2.613 20 5 CFBDMN C[C@@H]1C[C@@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000740881422 574272301 /nfs/dbraw/zinc/27/23/01/574272301.db2.gz BAAXAGXFLQERFM-NXEZZACHSA-N 0 1 252.289 2.964 20 5 CFBDMN C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1(C(=O)[O-])CCCC1 ZINC000830806599 604457833 /nfs/dbraw/zinc/45/78/33/604457833.db2.gz RRZCSADJUXVARC-UHFFFAOYSA-N 0 1 296.298 2.563 20 5 CFBDMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000263378753 604782521 /nfs/dbraw/zinc/78/25/21/604782521.db2.gz BDBBBBSPHPRQOZ-NSHDSACASA-N 0 1 298.726 2.687 20 5 CFBDMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077253473 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C[C@]12CSC[C@H]1CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000934766710 618125517 /nfs/dbraw/zinc/12/55/17/618125517.db2.gz JXHPRDYUEKQEHM-RISCZKNCSA-N 0 1 296.367 2.919 20 5 CFBDMN CC1=NO[C@H](CNCc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895306327 618522408 /nfs/dbraw/zinc/52/24/08/618522408.db2.gz CNFQDJCQVTVOLV-JTQLQIEISA-N 0 1 283.715 2.503 20 5 CFBDMN CCOC(CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000093446876 619023200 /nfs/dbraw/zinc/02/32/00/619023200.db2.gz OIACNZZQNMOFPS-GFCCVEGCSA-N 0 1 296.367 2.953 20 5 CFBDMN Cc1ncoc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000894739128 619455295 /nfs/dbraw/zinc/45/52/95/619455295.db2.gz JCOOMWUFZZZOPL-UHFFFAOYSA-N 0 1 275.308 2.566 20 5 CFBDMN COc1c(O)ccc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000894958624 619516567 /nfs/dbraw/zinc/51/65/67/619516567.db2.gz QJYSXYSAYSXVRP-GARJFASQSA-N 0 1 294.351 2.785 20 5 CFBDMN COc1cc(N[C@@H]2CCN(C)[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000895737644 619597819 /nfs/dbraw/zinc/59/78/19/619597819.db2.gz 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0 1 275.264 2.544 20 5 CFBDMN CCc1cc(CNc2ccsc2[N+](=O)[O-])n[nH]1 ZINC000774528585 627935180 /nfs/dbraw/zinc/93/51/80/627935180.db2.gz GEIXLTWEXWPNAL-UHFFFAOYSA-N 0 1 252.299 2.554 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CCC=CO1)C2 ZINC000774885186 627976623 /nfs/dbraw/zinc/97/66/23/627976623.db2.gz QCFPYSPGNCTFTI-CYBMUJFWSA-N 0 1 274.320 2.646 20 5 CFBDMN CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC000774903832 627978044 /nfs/dbraw/zinc/97/80/44/627978044.db2.gz NWDGUSNVLKTEQW-UHFFFAOYSA-N 0 1 279.296 2.877 20 5 CFBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC3(C2)CCCC3)cc1 ZINC000777659113 628244495 /nfs/dbraw/zinc/24/44/95/628244495.db2.gz IQXOMUQWFXVIFJ-CQSZACIVSA-N 0 1 276.336 2.504 20 5 CFBDMN Cc1nn(CN2CCC[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000780500789 628469460 /nfs/dbraw/zinc/46/94/60/628469460.db2.gz YELXRBJJTLCYRN-ZDUSSCGKSA-N 0 1 280.372 2.734 20 5 CFBDMN CCc1cc(CNc2cccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000782349859 628631010 /nfs/dbraw/zinc/63/10/10/628631010.db2.gz 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CCc1[nH]nc(C(=O)N(C)C[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000602218181 350853240 /nfs/dbraw/zinc/85/32/40/350853240.db2.gz NIMBHGKQGUSDIU-VIFPVBQESA-N 0 1 296.371 2.635 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC1CCC1 ZINC000111296782 186392921 /nfs/dbraw/zinc/39/29/21/186392921.db2.gz CCZKEXNXXAQSSO-UHFFFAOYSA-N 0 1 291.351 2.574 20 5 CFBDMN Cn1cc(CN2CCC(C3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602480591 350899849 /nfs/dbraw/zinc/89/98/49/350899849.db2.gz AGBDBMFUCAGTOK-UHFFFAOYSA-N 0 1 292.383 2.731 20 5 CFBDMN CC1(C)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602527871 350914796 /nfs/dbraw/zinc/91/47/96/350914796.db2.gz NBTXXPUELOZCNK-NSHDSACASA-N 0 1 261.281 2.624 20 5 CFBDMN CC[C@H](CSC)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602583328 350934453 /nfs/dbraw/zinc/93/44/53/350934453.db2.gz PXGYPHRGMGNNQA-SECBINFHSA-N 0 1 295.364 2.967 20 5 CFBDMN Cc1ncc([N+](=O)[O-])n1CCN(Cc1ccco1)C(C)C ZINC000602766718 351018339 /nfs/dbraw/zinc/01/83/39/351018339.db2.gz AMVLOTFVOWLAIB-UHFFFAOYSA-N 0 1 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CCc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2F)n1 ZINC000029584776 372382854 /nfs/dbraw/zinc/38/28/54/372382854.db2.gz SKGNLQGEMAOCGY-UHFFFAOYSA-N 0 1 268.273 2.566 20 5 CFBDMN CCC[C@@H](N[C@@H](C)C(=O)NCC)c1cccc([N+](=O)[O-])c1 ZINC000036794662 372596060 /nfs/dbraw/zinc/59/60/60/372596060.db2.gz PSRXKWJLVYSWCO-SMDDNHRTSA-N 0 1 293.367 2.550 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CCCO2)c(Cl)c1 ZINC000049963243 373337108 /nfs/dbraw/zinc/33/71/08/373337108.db2.gz VSBSCWSBBTWEPZ-NSHDSACASA-N 0 1 270.716 2.517 20 5 CFBDMN CC(C)CCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000053361040 373474621 /nfs/dbraw/zinc/47/46/21/373474621.db2.gz CVLOQIVCDUUYFS-LBPRGKRZSA-N 0 1 293.367 2.900 20 5 CFBDMN C[C@H](N[C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000062999673 373778671 /nfs/dbraw/zinc/77/86/71/373778671.db2.gz DFUVRNMWDQNBGO-BLLLJJGKSA-N 0 1 286.331 2.979 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C(C)C)C1CC1 ZINC000072559681 374263907 /nfs/dbraw/zinc/26/39/07/374263907.db2.gz BQFJWFPIQRSIPV-UHFFFAOYSA-N 0 1 291.351 2.715 20 5 CFBDMN CC1(C)CN(Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000083417298 374744780 /nfs/dbraw/zinc/74/47/80/374744780.db2.gz HXKWERHSQCEXFR-UHFFFAOYSA-N 0 1 266.366 2.922 20 5 CFBDMN CC[C@@H](NCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000088750751 374861923 /nfs/dbraw/zinc/86/19/23/374861923.db2.gz SSWPFVVZZRNVEO-CYBMUJFWSA-N 0 1 260.297 2.559 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263329269 296234407 /nfs/dbraw/zinc/23/44/07/296234407.db2.gz LDXVVXPKHPNDCU-MDZLAQPJSA-N 0 1 292.335 2.698 20 5 CFBDMN C[C@H]1SCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000118414586 376296148 /nfs/dbraw/zinc/29/61/48/376296148.db2.gz UZVLXEGGDMEVBV-GHMZBOCLSA-N 0 1 266.366 2.921 20 5 CFBDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120001677 376524418 /nfs/dbraw/zinc/52/44/18/376524418.db2.gz URIYZYVCJHHBJM-OAHLLOKOSA-N 0 1 278.352 2.842 20 5 CFBDMN CC(C)CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120001677 376524426 /nfs/dbraw/zinc/52/44/26/376524426.db2.gz URIYZYVCJHHBJM-OAHLLOKOSA-N 0 1 278.352 2.842 20 5 CFBDMN CC(C)c1ccc(C[N@H+](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000130823181 377617838 /nfs/dbraw/zinc/61/78/38/377617838.db2.gz UMVQFCZVGVKPHV-NSHDSACASA-N 0 1 266.341 2.531 20 5 CFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCC1CC1 ZINC000135302398 378113252 /nfs/dbraw/zinc/11/32/52/378113252.db2.gz XTRGXENQLHSDRF-NSHDSACASA-N 0 1 291.351 2.654 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1CSC ZINC000135480341 378138191 /nfs/dbraw/zinc/13/81/91/378138191.db2.gz OMWKPINYODBBLX-ZDUSSCGKSA-N 0 1 296.392 2.931 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCC1CC1 ZINC000135271547 378108768 /nfs/dbraw/zinc/10/87/68/378108768.db2.gz ZJWAARAIWKPJOF-UHFFFAOYSA-N 0 1 291.351 2.574 20 5 CFBDMN C[C@H]1COC(C)(C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000331119288 378635656 /nfs/dbraw/zinc/63/56/56/378635656.db2.gz OVZXYFSVRBGTOI-LBPRGKRZSA-N 0 1 278.352 2.637 20 5 CFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCOC[C@@H](C)C1 ZINC000332315741 378746417 /nfs/dbraw/zinc/74/64/17/378746417.db2.gz YLCFYGQSVKPGIC-NWDGAFQWSA-N 0 1 264.325 2.624 20 5 CFBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000278541972 194034737 /nfs/dbraw/zinc/03/47/37/194034737.db2.gz HJZFSNZJCPXTGM-LLVKDONJSA-N 0 1 294.355 2.531 20 5 CFBDMN Cc1cc(N[C@@H](C)[C@H](C)CO)c2cc([N+](=O)[O-])ccc2n1 ZINC000167382004 379070196 /nfs/dbraw/zinc/07/01/96/379070196.db2.gz DOQHCIJJYIRPFC-KOLCDFICSA-N 0 1 289.335 2.880 20 5 CFBDMN Cc1cc(N(C)CC[C@@H](C)O)c2cc([N+](=O)[O-])ccc2n1 ZINC000167383848 379070598 /nfs/dbraw/zinc/07/05/98/379070598.db2.gz SSONKNRQNDTYML-LLVKDONJSA-N 0 1 289.335 2.659 20 5 CFBDMN C[C@@H](O)C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000167350820 379071117 /nfs/dbraw/zinc/07/11/17/379071117.db2.gz FXZMNOXIMJNIFJ-ZYHUDNBSSA-N 0 1 298.770 2.984 20 5 CFBDMN Cc1c(CN2CCS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000171690659 379373918 /nfs/dbraw/zinc/37/39/18/379373918.db2.gz 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O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000263422950 620142465 /nfs/dbraw/zinc/14/24/65/620142465.db2.gz PMBZDVOKSSOQND-GFCCVEGCSA-N 0 1 298.726 2.687 20 5 CFBDMN O=C([O-])C[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000902010217 620957098 /nfs/dbraw/zinc/95/70/98/620957098.db2.gz SONXOLXIVNOLGZ-VUUYWXRKSA-N 0 1 290.319 2.547 20 5 CFBDMN COc1cc([C@@H](C)N[C@H](C)c2cn[nH]c2)cc([N+](=O)[O-])c1 ZINC000903129685 621263471 /nfs/dbraw/zinc/26/34/71/621263471.db2.gz IADIFPFKQXKYAQ-NXEZZACHSA-N 0 1 290.323 2.738 20 5 CFBDMN CC(C)(C)Nc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840434056 622874471 /nfs/dbraw/zinc/87/44/71/622874471.db2.gz TYAFLWOXDGQMSJ-BXKDBHETSA-N 0 1 277.324 2.501 20 5 CFBDMN Cc1nn(CN2CCCCCCC2)c(C)c1[N+](=O)[O-] ZINC000058591725 623053496 /nfs/dbraw/zinc/05/34/96/623053496.db2.gz NZMKZLAPNKVTNB-UHFFFAOYSA-N 0 1 266.345 2.632 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CCCCN2)n1 ZINC000822808467 623179427 /nfs/dbraw/zinc/17/94/27/623179427.db2.gz UTHCPJFHCRALNH-LBPRGKRZSA-N 0 1 288.307 2.768 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H](CCCO)C1 ZINC000825339000 623677020 /nfs/dbraw/zinc/67/70/20/623677020.db2.gz XXZYSCYDQOGMAE-LLVKDONJSA-N 0 1 298.770 2.843 20 5 CFBDMN CC(C)(C)[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000153275001 623912692 /nfs/dbraw/zinc/91/26/92/623912692.db2.gz ZZAGAEOOZXQGBD-GFCCVEGCSA-N 0 1 280.372 2.897 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CCN(CCC[C@@H]1CCOC1)C2 ZINC000828100058 624173248 /nfs/dbraw/zinc/17/32/48/624173248.db2.gz XKVKWMIJPPZGBV-CYBMUJFWSA-N 0 1 290.363 2.770 20 5 CFBDMN CCN(CC)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916622604 624265860 /nfs/dbraw/zinc/26/58/60/624265860.db2.gz BUCFBMBVVKDDRY-UHFFFAOYSA-N 0 1 285.731 2.529 20 5 CFBDMN CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000839481672 626537866 /nfs/dbraw/zinc/53/78/66/626537866.db2.gz XFZROLRMSMMHFP-IJLUTSLNSA-N 0 1 282.727 2.573 20 5 CFBDMN CCCCN(Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839514725 626537910 /nfs/dbraw/zinc/53/79/10/626537910.db2.gz KIZSEYDNQNOHAN-TZMCWYRMSA-N 0 1 294.326 2.620 20 5 CFBDMN CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689602 626551096 /nfs/dbraw/zinc/55/10/96/626551096.db2.gz QQJWKVAMCCPZAM-RBSFLKMASA-N 0 1 290.363 2.569 20 5 CFBDMN CC(C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839695676 626551354 /nfs/dbraw/zinc/55/13/54/626551354.db2.gz JXWXOPHFYYTKEX-ZIAGYGMSSA-N 0 1 292.335 2.715 20 5 CFBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC3(C2)CCCCC3)cc1 ZINC000759063634 626626386 /nfs/dbraw/zinc/62/63/86/626626386.db2.gz VQHATJBRGLCUEG-OAHLLOKOSA-N 0 1 290.363 2.894 20 5 CFBDMN O=[N+]([O-])c1cccc(CN(CCOC(F)F)C2CC2)c1 ZINC000851816292 634546064 /nfs/dbraw/zinc/54/60/64/634546064.db2.gz GDWQCLKCYIBVOO-UHFFFAOYSA-N 0 1 286.278 2.798 20 5 CFBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(F)n1 ZINC000852037880 634633450 /nfs/dbraw/zinc/63/34/50/634633450.db2.gz COWZVDDJJZLJBA-UHFFFAOYSA-N 0 1 289.310 2.803 20 5 CFBDMN CCN(Cc1ccoc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581315 628160241 /nfs/dbraw/zinc/16/02/41/628160241.db2.gz GUXDWUSQJOIAJK-HNNXBMFYSA-N 0 1 290.319 2.743 20 5 CFBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CCCCC3)c2)c1 ZINC000777950866 628266945 /nfs/dbraw/zinc/26/69/45/628266945.db2.gz KIWQAZWNCKOLBY-UHFFFAOYSA-N 0 1 286.335 2.902 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC=CO1 ZINC000780569729 628478112 /nfs/dbraw/zinc/47/81/12/628478112.db2.gz HBDWTFNLOSYNJJ-CQSZACIVSA-N 0 1 292.335 2.776 20 5 CFBDMN CC(C)[C@@H]1C[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCO1 ZINC000781877169 628587540 /nfs/dbraw/zinc/58/75/40/628587540.db2.gz GFJAILQTTBDQLW-JQWIXIFHSA-N 0 1 296.323 2.531 20 5 CFBDMN CC[C@]1(O)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783678934 628733880 /nfs/dbraw/zinc/73/38/80/628733880.db2.gz BLHJWSOBUJBUNC-ZDUSSCGKSA-N 0 1 284.743 2.595 20 5 CFBDMN CC(C)c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783732748 628738712 /nfs/dbraw/zinc/73/87/12/628738712.db2.gz FEJZSVWNXSRPEP-CJNGLKHVSA-N 0 1 290.363 2.532 20 5 CFBDMN CC(C)c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000783732751 628738787 /nfs/dbraw/zinc/73/87/87/628738787.db2.gz FEJZSVWNXSRPEP-XJKSGUPXSA-N 0 1 290.363 2.532 20 5 CFBDMN Cc1ccc([C@@H]2CCN(Cn3nccc3[N+](=O)[O-])C2)cc1 ZINC000784025846 628765678 /nfs/dbraw/zinc/76/56/78/628765678.db2.gz PWXUYIGWFRLOIO-CQSZACIVSA-N 0 1 286.335 2.547 20 5 CFBDMN C[C@H](NCC[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000787736197 629030704 /nfs/dbraw/zinc/03/07/04/629030704.db2.gz JHLOJFICURCUCY-QMMMGPOBSA-N 0 1 278.230 2.513 20 5 CFBDMN Cc1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000788556559 629081906 /nfs/dbraw/zinc/08/19/06/629081906.db2.gz HJTKSJFBKFDOGU-NSHDSACASA-N 0 1 286.335 2.731 20 5 CFBDMN O=[N+]([O-])c1ccccc1/C=C/CNCc1cccnc1F ZINC000793284855 629520446 /nfs/dbraw/zinc/52/04/46/629520446.db2.gz KPKKYKBBSULLME-ZZXKWVIFSA-N 0 1 287.294 2.932 20 5 CFBDMN O=[N+]([O-])c1ccccc1/C=C\CNCc1cccnc1F ZINC000793284852 629520514 /nfs/dbraw/zinc/52/05/14/629520514.db2.gz KPKKYKBBSULLME-UTCJRWHESA-N 0 1 287.294 2.932 20 5 CFBDMN Cc1cc(F)c(F)cc1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000793377063 629534329 /nfs/dbraw/zinc/53/43/29/629534329.db2.gz DYNQLRBFPUVKCK-UHFFFAOYSA-N 0 1 282.202 2.729 20 5 CFBDMN C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1CCO ZINC000852461035 634750238 /nfs/dbraw/zinc/75/02/38/634750238.db2.gz FMZRVAJPEMXSTR-RISCZKNCSA-N 0 1 296.342 2.717 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852670013 634802196 /nfs/dbraw/zinc/80/21/96/634802196.db2.gz USEDYPASADVISW-ZYHUDNBSSA-N 0 1 296.754 2.717 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H]2COC[C@H]2C1 ZINC000852670013 634802202 /nfs/dbraw/zinc/80/22/02/634802202.db2.gz USEDYPASADVISW-ZYHUDNBSSA-N 0 1 296.754 2.717 20 5 CFBDMN CC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCCCC1 ZINC000804351682 630675359 /nfs/dbraw/zinc/67/53/59/630675359.db2.gz AZJHJVSBJQSDJL-UHFFFAOYSA-N 0 1 291.351 2.695 20 5 CFBDMN CCc1cc(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)n[nH]1 ZINC000804451453 630682631 /nfs/dbraw/zinc/68/26/31/630682631.db2.gz KLIMVCSOZIUOQU-UHFFFAOYSA-N 0 1 288.307 2.695 20 5 CFBDMN CCc1cc(CNc2ccc([N+](=O)[O-])cc2C(C)=O)n[nH]1 ZINC000804451854 630683108 /nfs/dbraw/zinc/68/31/08/630683108.db2.gz XZELULJBBITVGG-UHFFFAOYSA-N 0 1 288.307 2.695 20 5 CFBDMN Cc1c(-c2nc([C@H](N)C(C)C)no2)cccc1[N+](=O)[O-] ZINC000041123487 649989069 /nfs/dbraw/zinc/98/90/69/649989069.db2.gz JOEWSIOOLOCQRF-LLVKDONJSA-N 0 1 276.296 2.609 20 5 CFBDMN CS[C@@H](C)CCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837613731 631086259 /nfs/dbraw/zinc/08/62/59/631086259.db2.gz XCJQBFQKRXOOOB-VIFPVBQESA-N 0 1 299.348 2.875 20 5 CFBDMN CC(C)[C@H]1C[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837643923 631095164 /nfs/dbraw/zinc/09/51/64/631095164.db2.gz KFXLGQMGKQOHIR-NEPJUHHUSA-N 0 1 279.292 2.636 20 5 CFBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000840672695 631174198 /nfs/dbraw/zinc/17/41/98/631174198.db2.gz LNIGWLHPTVKYJF-WHGOUJPWSA-N 0 1 269.684 2.609 20 5 CFBDMN O=C(Oc1ccc(Cl)cc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000841000630 631299370 /nfs/dbraw/zinc/29/93/70/631299370.db2.gz GBKJHWAARGXNIM-HTRCEHHLSA-N 0 1 276.075 2.564 20 5 CFBDMN Cc1cc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1Cl ZINC000841158278 631350322 /nfs/dbraw/zinc/35/03/22/631350322.db2.gz PYVHFXJBASHJNE-LHLIQPBNSA-N 0 1 289.118 2.906 20 5 CFBDMN CC(C)S[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842332701 631595754 /nfs/dbraw/zinc/59/57/54/631595754.db2.gz RLWPVTWFODWMMO-WISYIIOYSA-N 0 1 287.381 2.648 20 5 CFBDMN CCN(CCSC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000842643501 631666354 /nfs/dbraw/zinc/66/63/54/631666354.db2.gz DAOMWFSIVYDMJA-UHFFFAOYSA-N 0 1 294.380 2.587 20 5 CFBDMN CC1(C)CCC[C@H]1[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000842635232 631688400 /nfs/dbraw/zinc/68/84/00/631688400.db2.gz LAQSRGGXLBWQQO-OCCSQVGLSA-N 0 1 292.383 2.897 20 5 CFBDMN CC(C)[C@@H](N)c1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000843146948 631858880 /nfs/dbraw/zinc/85/88/80/631858880.db2.gz VPNCJCSMHDMMOD-DMTLFAOVSA-N 0 1 288.307 2.804 20 5 CFBDMN Cc1occc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815568750 632290385 /nfs/dbraw/zinc/29/03/85/632290385.db2.gz SMZADBHDSVARNZ-VIFPVBQESA-N 0 1 275.308 2.929 20 5 CFBDMN CN1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000846892954 632836023 /nfs/dbraw/zinc/83/60/23/632836023.db2.gz SXGNHUKOFBKWBC-UHFFFAOYSA-N 0 1 297.786 2.774 20 5 CFBDMN O=C(OC[C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000851158717 634252287 /nfs/dbraw/zinc/25/22/87/634252287.db2.gz ZRXLBEWRVVLGMT-AXTSPUMRSA-N 0 1 295.257 2.564 20 5 CFBDMN C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000047540441 650237005 /nfs/dbraw/zinc/23/70/05/650237005.db2.gz TYJSLLGOIYPIOQ-SNVBAGLBSA-N 0 1 252.289 2.966 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCC12CC2 ZINC000860176061 636813866 /nfs/dbraw/zinc/81/38/66/636813866.db2.gz MLBKKPMFVRBNAA-GFCCVEGCSA-N 0 1 291.303 2.924 20 5 CFBDMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000863641741 637722740 /nfs/dbraw/zinc/72/27/40/637722740.db2.gz AJAOHUYPGNVQRI-HUUCEWRRSA-N 0 1 298.342 2.856 20 5 CFBDMN Cc1nn(CN2CCCCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121050661 638818515 /nfs/dbraw/zinc/81/85/15/638818515.db2.gz LSNOFXIKKKGVHD-UHFFFAOYSA-N 0 1 274.324 2.696 20 5 CFBDMN Cc1nn(CN2CCC[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121052389 638819181 /nfs/dbraw/zinc/81/91/81/638819181.db2.gz QJVKRFVPRLTLQU-NSHDSACASA-N 0 1 288.351 2.942 20 5 CFBDMN CCC[C@](C)(O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033673 641564147 /nfs/dbraw/zinc/56/41/47/641564147.db2.gz DIOZDORZNGPQCE-YGRLFVJLSA-N 0 1 284.331 2.936 20 5 CFBDMN CC(C)[C@@](C)(O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034678 641565398 /nfs/dbraw/zinc/56/53/98/641565398.db2.gz ILCSGFYJJIVJCG-YGRLFVJLSA-N 0 1 284.331 2.792 20 5 CFBDMN CO[C@H](C)[C@@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072403 641603559 /nfs/dbraw/zinc/60/35/59/641603559.db2.gz FJXYXZZPGHSILN-KXUCPTDWSA-N 0 1 270.304 2.808 20 5 CFBDMN C[C@H](NC[C@@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085468 641619191 /nfs/dbraw/zinc/61/91/91/641619191.db2.gz NURQBGILBMHWNQ-JQWIXIFHSA-N 0 1 296.342 2.793 20 5 CFBDMN C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091480 641624350 /nfs/dbraw/zinc/62/43/50/641624350.db2.gz IIPXNRGFKJVMFH-BFLSOPEQSA-N 0 1 282.315 2.950 20 5 CFBDMN C[C@H](N[C@H]1C[C@@H](C)O[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091486 641624780 /nfs/dbraw/zinc/62/47/80/641624780.db2.gz IIPXNRGFKJVMFH-WDCWCFNPSA-N 0 1 282.315 2.950 20 5 CFBDMN CCC[C@@H](CCO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872094065 641625309 /nfs/dbraw/zinc/62/53/09/641625309.db2.gz YQDDVRMNOLWOBD-MNOVXSKESA-N 0 1 284.331 2.936 20 5 CFBDMN C[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000245766745 650833772 /nfs/dbraw/zinc/83/37/72/650833772.db2.gz RJQRLHDIPGELKZ-NWDGAFQWSA-N 0 1 288.351 2.880 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CC[C@@H]3CSC[C@@H]3C2)cs1 ZINC000877736898 643496647 /nfs/dbraw/zinc/49/66/47/643496647.db2.gz BSOGBOLQDLJEAM-MNOVXSKESA-N 0 1 284.406 2.841 20 5 CFBDMN Cc1noc(CN[C@H](C)[C@]23C[C@H]2CCCC3)c1[N+](=O)[O-] ZINC000879265895 644201437 /nfs/dbraw/zinc/20/14/37/644201437.db2.gz LHBWVOBRGWMFCP-GYSYKLTISA-N 0 1 279.340 2.950 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](OC)CC[C@@H]1C ZINC000879328180 644234590 /nfs/dbraw/zinc/23/45/90/644234590.db2.gz YJAOIGCJRPZFHN-FZMZJTMJSA-N 0 1 294.351 2.603 20 5 CFBDMN C[C@H]1CCN[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000127935343 644379256 /nfs/dbraw/zinc/37/92/56/644379256.db2.gz VDTGQQIVCPTYCH-CABZTGNLSA-N 0 1 288.307 2.705 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](CF)C1 ZINC000880231188 644592663 /nfs/dbraw/zinc/59/26/63/644592663.db2.gz VAPBIOBUZLWBOB-LLVKDONJSA-N 0 1 252.289 2.776 20 5 CFBDMN Cc1cc(-c2nc([C@@H](N)C(C)C)no2)cc([N+](=O)[O-])c1 ZINC000137135072 646872035 /nfs/dbraw/zinc/87/20/35/646872035.db2.gz OUUDIMSSVJJCQO-NSHDSACASA-N 0 1 276.296 2.609 20 5 CFBDMN Cc1cc(-c2nc([C@H](N)C(C)C)no2)cc([N+](=O)[O-])c1 ZINC000137135034 646872143 /nfs/dbraw/zinc/87/21/43/646872143.db2.gz OUUDIMSSVJJCQO-LLVKDONJSA-N 0 1 276.296 2.609 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](CCF)C1 ZINC000886280420 646949491 /nfs/dbraw/zinc/94/94/91/646949491.db2.gz DQZOBVBNSVVYIF-NSHDSACASA-N 0 1 267.304 2.561 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886572004 647050719 /nfs/dbraw/zinc/05/07/19/647050719.db2.gz RUASIEFLCYEBEM-PHIMTYICSA-N 0 1 282.340 2.529 20 5 CFBDMN C[C@H](NCC[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000930233638 649211322 /nfs/dbraw/zinc/21/13/22/649211322.db2.gz SNMJEUPZCGWTME-JTQLQIEISA-N 0 1 282.315 2.542 20 5 CFBDMN CC1(C)C[C@@H](Oc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC001225490430 775478131 /nfs/dbraw/zinc/47/81/31/775478131.db2.gz IFMJAUAZXYFIFD-JTQLQIEISA-N 0 1 267.281 2.637 20 5 CFBDMN C[C@@H](Cc1ccco1)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490673 775478565 /nfs/dbraw/zinc/47/85/65/775478565.db2.gz 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/nfs/dbraw/zinc/28/18/72/382281872.db2.gz ZNDRHBOSOYEALK-DZGCQCFKSA-N 0 1 297.314 2.661 20 5 CFBDMN CCN1C[C@@H](C)N(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345165547 382288676 /nfs/dbraw/zinc/28/86/76/382288676.db2.gz ATNVXTGSIUWLLD-WDEREUQCSA-N 0 1 281.331 2.653 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(NCCN2CC=CCC2)c1 ZINC000357658113 382268827 /nfs/dbraw/zinc/26/88/27/382268827.db2.gz HCOUZMJVHOHOIJ-UHFFFAOYSA-N 0 1 261.325 2.577 20 5 CFBDMN CC(F)(F)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000357725936 382295653 /nfs/dbraw/zinc/29/56/53/382295653.db2.gz FGDYXCAIOYMOKV-UHFFFAOYSA-N 0 1 262.231 2.869 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000294922766 382544368 /nfs/dbraw/zinc/54/43/68/382544368.db2.gz JKGLZVIPRVHIKL-LBPRGKRZSA-N 0 1 287.323 2.753 20 5 CFBDMN CC[C@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385791491 382576647 /nfs/dbraw/zinc/57/66/47/382576647.db2.gz NMQVWRXHWXFCGZ-RISCZKNCSA-N 0 1 298.770 2.841 20 5 CFBDMN COc1ccncc1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353610662 382577013 /nfs/dbraw/zinc/57/70/13/382577013.db2.gz WBVSBLKRAIWCIO-XQRVVYSFSA-N 0 1 299.330 2.801 20 5 CFBDMN CC(C)(O)CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000189994077 382649638 /nfs/dbraw/zinc/64/96/38/382649638.db2.gz OSSFXYBWCXGPQS-UHFFFAOYSA-N 0 1 298.770 2.984 20 5 CFBDMN CN(CC[C@H]1CCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000191047813 382689398 /nfs/dbraw/zinc/68/93/98/382689398.db2.gz FGLWJOBLGRLOFW-CYBMUJFWSA-N 0 1 264.325 2.596 20 5 CFBDMN Cc1cc(N[C@H](C)CCO)c2cc([N+](=O)[O-])ccc2n1 ZINC000228485385 382846823 /nfs/dbraw/zinc/84/68/23/382846823.db2.gz LTHZWRAJJGBBLN-SECBINFHSA-N 0 1 275.308 2.634 20 5 CFBDMN CC(C)n1cc(CNCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000226241666 382825443 /nfs/dbraw/zinc/82/54/43/382825443.db2.gz SYNUZQUKORRFSS-UHFFFAOYSA-N 0 1 274.324 2.662 20 5 CFBDMN CN(CCCCCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000227119615 382833924 /nfs/dbraw/zinc/83/39/24/382833924.db2.gz LIYKGALDWGZFLG-UHFFFAOYSA-N 0 1 286.759 2.843 20 5 CFBDMN O=[N+]([O-])c1cccc(SCCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000337939711 382874864 /nfs/dbraw/zinc/87/48/64/382874864.db2.gz ZXTHRBFLOQNFHI-BETUJISGSA-N 0 1 294.376 2.550 20 5 CFBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1O ZINC000533965091 382914365 /nfs/dbraw/zinc/91/43/65/382914365.db2.gz GJXMVUMWGYSYLU-UHFFFAOYSA-N 0 1 295.682 2.545 20 5 CFBDMN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1Cc2ccccc2[C@H]1O ZINC000245866255 383042233 /nfs/dbraw/zinc/04/22/33/383042233.db2.gz QENRXORLGOCCAA-DLBZAZTESA-N 0 1 298.342 2.685 20 5 CFBDMN CCC[C@H](C)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338898110 383079177 /nfs/dbraw/zinc/07/91/77/383079177.db2.gz FHBNDHKOHYTCQO-JTQLQIEISA-N 0 1 252.314 2.921 20 5 CFBDMN COC[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000552069046 383068035 /nfs/dbraw/zinc/06/80/35/383068035.db2.gz MQLIVBPTHYJKNA-ZDUSSCGKSA-N 0 1 288.294 2.634 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2ccsc2C1 ZINC000339057980 383134970 /nfs/dbraw/zinc/13/49/70/383134970.db2.gz 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CC[C@H](CN(CC)C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839730045 626553575 /nfs/dbraw/zinc/55/35/75/626553575.db2.gz YKYUSKFNOXKHRO-BPLDGKMQSA-N 0 1 290.363 2.694 20 5 CFBDMN Cc1c([C@@H](C)NC2COC(C)(C)OC2)cccc1[N+](=O)[O-] ZINC000757698863 626558963 /nfs/dbraw/zinc/55/89/63/626558963.db2.gz ULHAAMBOQAKAMM-LLVKDONJSA-N 0 1 294.351 2.705 20 5 CFBDMN Cc1nn(CN2CCC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000765049318 627115586 /nfs/dbraw/zinc/11/55/86/627115586.db2.gz OSVGYUYWIMMXJW-SNVBAGLBSA-N 0 1 274.324 2.695 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(Nc2cnn(-c3ccncc3)c2)n1 ZINC000765486268 627141814 /nfs/dbraw/zinc/14/18/14/627141814.db2.gz SJVBUDXZONSVRQ-UHFFFAOYSA-N 0 1 296.290 2.623 20 5 CFBDMN CO[C@@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CCC1 ZINC000851869721 634565054 /nfs/dbraw/zinc/56/50/54/634565054.db2.gz PAAJGJGARSGONM-INIZCTEOSA-N 0 1 290.363 2.768 20 5 CFBDMN CCc1cc(CNc2cccc(OC)c2[N+](=O)[O-])n[nH]1 ZINC000772062030 627668931 /nfs/dbraw/zinc/66/89/31/627668931.db2.gz ARUHNLQKAKXXCD-UHFFFAOYSA-N 0 1 276.296 2.501 20 5 CFBDMN CC(C)[C@]1(C)C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000775052230 627987519 /nfs/dbraw/zinc/98/75/19/627987519.db2.gz UNUCFEHEXJDYFK-RNCFNFMXSA-N 0 1 266.297 2.762 20 5 CFBDMN COC(=O)/C(C)=C\CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775549999 628035754 /nfs/dbraw/zinc/03/57/54/628035754.db2.gz WCMNHJVHOMVBDU-RDQDRAATSA-N 0 1 292.335 2.673 20 5 CFBDMN Cc1nn(CN2CC[C@]3(CC[C@H](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000781588817 628562991 /nfs/dbraw/zinc/56/29/91/628562991.db2.gz XIUYLZIFMLJSAQ-NHYWBVRUSA-N 0 1 292.383 2.878 20 5 CFBDMN CC1=C[C@@H](C)CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000797420041 630064841 /nfs/dbraw/zinc/06/48/41/630064841.db2.gz XETUQQJGVBBEQX-LLVKDONJSA-N 0 1 286.335 2.800 20 5 CFBDMN CC1=C(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000837589847 631078226 /nfs/dbraw/zinc/07/82/26/631078226.db2.gz UBODEZQIOCQRNG-UHFFFAOYSA-N 0 1 277.276 2.844 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(F)CCCC1 ZINC000837647212 631096803 /nfs/dbraw/zinc/09/68/03/631096803.db2.gz YNQJYXBQLWRTFC-UHFFFAOYSA-N 0 1 283.255 2.626 20 5 CFBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000840672692 631174222 /nfs/dbraw/zinc/17/42/22/631174222.db2.gz LNIGWLHPTVKYJF-AVPPRXQKSA-N 0 1 269.684 2.609 20 5 CFBDMN C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000840674884 631174225 /nfs/dbraw/zinc/17/42/25/631174225.db2.gz QTWOZBNGPMCZNJ-GGZOMVNGSA-N 0 1 283.711 2.652 20 5 CFBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnc2ccccc2c1 ZINC000842300414 631582775 /nfs/dbraw/zinc/58/27/75/631582775.db2.gz SLGDLRLOUOLJPK-MRCXROJRSA-N 0 1 286.287 2.504 20 5 CFBDMN Cc1ccc(C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1 ZINC000842313547 631587669 /nfs/dbraw/zinc/58/76/69/631587669.db2.gz PFCGJUDMCTZCRJ-RBSFLKMASA-N 0 1 289.331 2.525 20 5 CFBDMN O=C(O[C@@H]1CCc2sc(Cl)cc21)[C@@H]1CC1[N+](=O)[O-] ZINC000842323296 631591509 /nfs/dbraw/zinc/59/15/09/631591509.db2.gz IYZHSDDUMQYEHN-LPBLVHEISA-N 0 1 287.724 2.597 20 5 CFBDMN Cc1cccc2c1[C@H](C)C[C@@H]2OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842331837 631595470 /nfs/dbraw/zinc/59/54/70/631595470.db2.gz NUYLVMULOREZRC-JHEVNIALSA-N 0 1 275.304 2.752 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1-c1nc([C@@H]2CCCN2)no1 ZINC000842644544 631689954 /nfs/dbraw/zinc/68/99/54/631689954.db2.gz GRHFLQNLUHPOOC-VIFPVBQESA-N 0 1 294.698 2.723 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1Cl ZINC000843420654 631951461 /nfs/dbraw/zinc/95/14/61/631951461.db2.gz BINBTZMIQRKBJP-RISCZKNCSA-N 0 1 296.754 2.859 20 5 CFBDMN CC(C)(C)CCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000813898046 631974053 /nfs/dbraw/zinc/97/40/53/631974053.db2.gz PGEPQMHTKXFHLF-UHFFFAOYSA-N 0 1 254.286 2.906 20 5 CFBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844936579 632341739 /nfs/dbraw/zinc/34/17/39/632341739.db2.gz JIOQJRZZDWZGFY-JTQLQIEISA-N 0 1 286.715 2.543 20 5 CFBDMN O=C(OC[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000816392807 632442443 /nfs/dbraw/zinc/44/24/43/632442443.db2.gz JTMLEPWJVMTJBD-SSDOTTSWSA-N 0 1 274.223 2.515 20 5 CFBDMN C[C@H](NCc1cnc(Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000848530444 633279022 /nfs/dbraw/zinc/27/90/22/633279022.db2.gz GUDMWRPSGNSRHM-VIFPVBQESA-N 0 1 294.742 2.833 20 5 CFBDMN O=[N+]([O-])c1cccc(CN[C@H]2C[C@H](O)c3ccccc32)c1 ZINC000850369404 633959608 /nfs/dbraw/zinc/95/96/08/633959608.db2.gz JIHXMPYMNUPBST-HOTGVXAUSA-N 0 1 284.315 2.863 20 5 CFBDMN O=C(OCCCC1CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000851302307 634313893 /nfs/dbraw/zinc/31/38/93/634313893.db2.gz RXDXOSMKXXNJJM-UHFFFAOYSA-N 0 1 252.270 2.660 20 5 CFBDMN CC(C)(COC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(F)F ZINC000851337684 634329634 /nfs/dbraw/zinc/32/96/34/634329634.db2.gz DTFCIZNZWSKGRX-UHFFFAOYSA-N 0 1 276.239 2.761 20 5 CFBDMN CCc1cc(CNc2cc(C)sc2[N+](=O)[O-])n[nH]1 ZINC000853323013 634968516 /nfs/dbraw/zinc/96/85/16/634968516.db2.gz LSROJUFEDFKCIY-UHFFFAOYSA-N 0 1 266.326 2.862 20 5 CFBDMN Cc1nn(CN2CCC[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000853633756 635054643 /nfs/dbraw/zinc/05/46/43/635054643.db2.gz CXPVCFVVEHBOIU-STQMWFEESA-N 0 1 278.356 2.712 20 5 CFBDMN CCN1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000853687317 635075402 /nfs/dbraw/zinc/07/54/02/635075402.db2.gz SPZOTVOOAXKZFO-JTQLQIEISA-N 0 1 299.321 2.794 20 5 CFBDMN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000855214071 635486852 /nfs/dbraw/zinc/48/68/52/635486852.db2.gz ITNKAACEFOODEP-HZSPNIEDSA-N 0 1 288.347 2.632 20 5 CFBDMN CCO[C@@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000859207859 636503189 /nfs/dbraw/zinc/50/31/89/636503189.db2.gz AOPKUPJCZKPIMA-INIZCTEOSA-N 0 1 290.363 2.768 20 5 CFBDMN O=[N+]([O-])c1ccc(N2CCc3cn[nH]c3C2)c(C(F)F)c1 ZINC000865631876 638476120 /nfs/dbraw/zinc/47/61/20/638476120.db2.gz JULGZYOOMKTZTD-UHFFFAOYSA-N 0 1 294.261 2.818 20 5 CFBDMN CCN(Cn1nc(C)c([N+](=O)[O-])c1C)C1CCCC1 ZINC000077443133 650425446 /nfs/dbraw/zinc/42/54/46/650425446.db2.gz RNYYPZILAXKZDW-UHFFFAOYSA-N 0 1 266.345 2.630 20 5 CFBDMN Cc1nn(C[N@@H+]2CCC[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121231677 638875265 /nfs/dbraw/zinc/87/52/65/638875265.db2.gz HAQCLADQJIKIEY-SNVBAGLBSA-N 0 1 274.324 2.695 20 5 CFBDMN Cc1nn(CN2CCC[C@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121231677 638875266 /nfs/dbraw/zinc/87/52/66/638875266.db2.gz HAQCLADQJIKIEY-SNVBAGLBSA-N 0 1 274.324 2.695 20 5 CFBDMN CSCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019224 641549263 /nfs/dbraw/zinc/54/92/63/641549263.db2.gz UQWOZGDMJPKLMM-MRVPVSSYSA-N 0 1 258.318 2.748 20 5 CFBDMN CCC[C@@](C)(O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033671 641565098 /nfs/dbraw/zinc/56/50/98/641565098.db2.gz DIOZDORZNGPQCE-IINYFYTJSA-N 0 1 284.331 2.936 20 5 CFBDMN C[C@H](C[C@H](C)O)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872059858 641593242 /nfs/dbraw/zinc/59/32/42/641593242.db2.gz JCOBYAWMWIRFBT-UTLUCORTSA-N 0 1 270.304 2.544 20 5 CFBDMN C[C@@H](NCC1(CO)CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872062272 641594337 /nfs/dbraw/zinc/59/43/37/641594337.db2.gz FOBXXWAWVNOTSX-LLVKDONJSA-N 0 1 296.342 2.937 20 5 CFBDMN C[C@H](N[C@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074873 641607239 /nfs/dbraw/zinc/60/72/39/641607239.db2.gz JUGLUHZMEUVLOU-CABZTGNLSA-N 0 1 282.315 2.952 20 5 CFBDMN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1O2)c1c(F)cccc1[N+](=O)[O-] ZINC000872083079 641617109 /nfs/dbraw/zinc/61/71/09/641617109.db2.gz GVKKBWXSNKPAFU-JQEKQURRSA-N 0 1 280.299 2.704 20 5 CFBDMN C[C@@H](N[C@@H]1COC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085296 641619047 /nfs/dbraw/zinc/61/90/47/641619047.db2.gz PCWGCYWIHQDDCG-ZJUUUORDSA-N 0 1 282.315 2.952 20 5 CFBDMN Cc1ccc(O)c(CN[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000873183262 642053328 /nfs/dbraw/zinc/05/33/28/642053328.db2.gz AXGVOSKVNXHWLI-NSHDSACASA-N 0 1 287.319 2.855 20 5 CFBDMN COCC1=CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877416454 643264163 /nfs/dbraw/zinc/26/41/63/643264163.db2.gz MYPQLXYHXKBWNT-UHFFFAOYSA-N 0 1 290.363 2.990 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CSC[C@@H]3C2)c(F)c1 ZINC000877739174 643502935 /nfs/dbraw/zinc/50/29/35/643502935.db2.gz RRKOYLYSMYNSAF-RYUDHWBXSA-N 0 1 296.367 2.919 20 5 CFBDMN C[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccnn1C ZINC000877762829 643543464 /nfs/dbraw/zinc/54/34/64/643543464.db2.gz KJCAPKNCZUUBBU-SECBINFHSA-N 0 1 294.742 2.833 20 5 CFBDMN CN(CCCOC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000877917566 643640162 /nfs/dbraw/zinc/64/01/62/643640162.db2.gz XYPFBDOVGHORJV-UHFFFAOYSA-N 0 1 292.257 2.953 20 5 CFBDMN COCC1(N(C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000878318533 643837941 /nfs/dbraw/zinc/83/79/41/643837941.db2.gz UCAJCBJQEYZVDL-UHFFFAOYSA-N 0 1 264.325 2.514 20 5 CFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](O)CC(C)(C)C1 ZINC000879619657 644349628 /nfs/dbraw/zinc/34/96/28/644349628.db2.gz YYDCCYIHSUMWDW-NWDGAFQWSA-N 0 1 278.352 2.749 20 5 CFBDMN C[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000248369651 650931582 /nfs/dbraw/zinc/93/15/82/650931582.db2.gz WMZKNBSRYNTKOP-ZJUUUORDSA-N 0 1 252.289 2.964 20 5 CFBDMN COCC1(N(C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000880185347 644568181 /nfs/dbraw/zinc/56/81/81/644568181.db2.gz NIYXIMDZHHPPQT-UHFFFAOYSA-N 0 1 264.325 2.596 20 5 CFBDMN CCOCCN(CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774846 650963141 /nfs/dbraw/zinc/96/31/41/650963141.db2.gz BGBJPSFRDSGRCD-UHFFFAOYSA-N 0 1 270.304 2.592 20 5 CFBDMN CC(C)CC[C@@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000130673980 645546704 /nfs/dbraw/zinc/54/67/04/645546704.db2.gz MQWCZPFVCIEVIU-LBPRGKRZSA-N 0 1 266.345 2.649 20 5 CFBDMN CCC[C@@H](C)[C@@H]1CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000130786926 645570248 /nfs/dbraw/zinc/57/02/48/645570248.db2.gz ILIVNWQHJIYPDE-YPMHNXCESA-N 0 1 266.345 2.649 20 5 CFBDMN C[C@@H](C1CC1)N(Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956593 646783365 /nfs/dbraw/zinc/78/33/65/646783365.db2.gz SWAGWZDXWFEBNJ-JTQLQIEISA-N 0 1 261.325 2.753 20 5 CFBDMN CC(C)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000886517594 647025538 /nfs/dbraw/zinc/02/55/38/647025538.db2.gz JKTTZTGBYPJZRB-OAHLLOKOSA-N 0 1 288.351 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/nfs/dbraw/zinc/33/57/97/381335797.db2.gz UZMKZFKHXACAEM-GHMZBOCLSA-N 0 1 294.355 2.653 20 5 CFBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC[C@@H](CO)C1 ZINC000370055830 381375102 /nfs/dbraw/zinc/37/51/02/381375102.db2.gz NHIFTOJSANYIOQ-LLVKDONJSA-N 0 1 298.770 2.843 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC2)C1 ZINC000290374881 381403960 /nfs/dbraw/zinc/40/39/60/381403960.db2.gz ASOSYKHCZDUGJG-LLVKDONJSA-N 0 1 290.319 2.563 20 5 CFBDMN CCC(=O)c1ccc(SCCN(C)C)c([N+](=O)[O-])c1 ZINC000359533817 381454968 /nfs/dbraw/zinc/45/49/68/381454968.db2.gz QSZYRHAWZHPJHM-UHFFFAOYSA-N 0 1 282.365 2.841 20 5 CFBDMN COC[C@@H]1CCCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342727313 381503952 /nfs/dbraw/zinc/50/39/52/381503952.db2.gz BWCHSHVGMMKEEW-GFCCVEGCSA-N 0 1 296.342 2.982 20 5 CFBDMN CC[C@@H](C)n1nc(Nc2nccc(C)c2[N+](=O)[O-])cc1C ZINC000342778288 381532831 /nfs/dbraw/zinc/53/28/31/381532831.db2.gz COMLZBZCNRFXDO-SNVBAGLBSA-N 0 1 289.339 2.940 20 5 CFBDMN C[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372016705 381736531 /nfs/dbraw/zinc/73/65/31/381736531.db2.gz HWRVGAYQTNHERK-NMFUWQPSSA-N 0 1 288.347 2.794 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC2(CC2)C1 ZINC000186984225 382067551 /nfs/dbraw/zinc/06/75/51/382067551.db2.gz YSSUISRXMKKGOB-UHFFFAOYSA-N 0 1 276.336 2.979 20 5 CFBDMN CCN1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301198030 382103450 /nfs/dbraw/zinc/10/34/50/382103450.db2.gz LGEYYPOPZNJRPN-UHFFFAOYSA-N 0 1 283.759 2.780 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1NCc1n[nH]c(C2CC2)n1 ZINC000187398796 382173062 /nfs/dbraw/zinc/17/30/62/382173062.db2.gz TZWIDLWVDUJHQW-UHFFFAOYSA-N 0 1 273.296 2.511 20 5 CFBDMN CCC[C@@H](CNCc1csc([N+](=O)[O-])c1)OC ZINC000293658447 382218216 /nfs/dbraw/zinc/21/82/16/382218216.db2.gz LCRKBLRQVRAIBF-JTQLQIEISA-N 0 1 258.343 2.561 20 5 CFBDMN CC[C@@]1(CO)CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000187588102 382218557 /nfs/dbraw/zinc/21/85/57/382218557.db2.gz VGVFINBELCPWBT-OAHLLOKOSA-N 0 1 278.352 2.579 20 5 CFBDMN O=[N+]([O-])c1ccccc1N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000376924003 382192047 /nfs/dbraw/zinc/19/20/47/382192047.db2.gz DTZVFGCZBGZRMJ-AWEZNQCLSA-N 0 1 295.302 2.914 20 5 CFBDMN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000352543844 382389667 /nfs/dbraw/zinc/38/96/67/382389667.db2.gz KNRIDSQKALRECB-UHFFFAOYSA-N 0 1 275.308 2.566 20 5 CFBDMN CC(C)c1ccc(CN2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000305228888 382435243 /nfs/dbraw/zinc/43/52/43/382435243.db2.gz XBIKAPYLJYVLTF-CQSZACIVSA-N 0 1 292.379 2.923 20 5 CFBDMN CC[C@H](N[C@@H](C)C(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000188468104 382419949 /nfs/dbraw/zinc/41/99/49/382419949.db2.gz LUYVBYYWUZRWBL-FZMZJTMJSA-N 0 1 293.367 2.502 20 5 CFBDMN COC[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000294227871 382468142 /nfs/dbraw/zinc/46/81/42/382468142.db2.gz NZRFQTDMPBEWHD-AWEZNQCLSA-N 0 1 282.315 2.592 20 5 CFBDMN C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000294885823 382538853 /nfs/dbraw/zinc/53/88/53/382538853.db2.gz GMBVFYLNLFADBJ-LLVKDONJSA-N 0 1 293.342 2.654 20 5 CFBDMN C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000294885823 382538857 /nfs/dbraw/zinc/53/88/57/382538857.db2.gz GMBVFYLNLFADBJ-LLVKDONJSA-N 0 1 293.342 2.654 20 5 CFBDMN CC(C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353450612 382546053 /nfs/dbraw/zinc/54/60/53/382546053.db2.gz UQSFMWBGBOEPGP-CQSZACIVSA-N 0 1 288.351 2.663 20 5 CFBDMN CCc1nc(CNc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000295060287 382571468 /nfs/dbraw/zinc/57/14/68/382571468.db2.gz YYARPNOLDBUHIZ-UHFFFAOYSA-N 0 1 281.703 2.541 20 5 CFBDMN CCC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190314336 382661586 /nfs/dbraw/zinc/66/15/86/382661586.db2.gz ADWMJDDUZHRVMM-UHFFFAOYSA-N 0 1 276.336 2.928 20 5 CFBDMN Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000336841751 382731799 /nfs/dbraw/zinc/73/17/99/382731799.db2.gz SHEDUYAHLRPJDN-SNVBAGLBSA-N 0 1 279.315 2.691 20 5 CFBDMN Cc1cc(N[C@@H]2CCN(C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000336841751 382731800 /nfs/dbraw/zinc/73/18/00/382731800.db2.gz SHEDUYAHLRPJDN-SNVBAGLBSA-N 0 1 279.315 2.691 20 5 CFBDMN CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000194065069 382734091 /nfs/dbraw/zinc/73/40/91/382734091.db2.gz AXIFISVXBJPMTF-JTQLQIEISA-N 0 1 279.296 2.735 20 5 CFBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nnc[nH]1 ZINC000219645740 382794591 /nfs/dbraw/zinc/79/45/91/382794591.db2.gz WAGGABCUBWACHJ-ZCFIWIBFSA-N 0 1 267.676 2.539 20 5 CFBDMN CC[C@H](C)n1nc(Nc2ncc([N+](=O)[O-])s2)cc1C ZINC000337023058 382753586 /nfs/dbraw/zinc/75/35/86/382753586.db2.gz SXBYHZMDYNIUQO-ZETCQYMHSA-N 0 1 281.341 2.693 20 5 CFBDMN C[C@H]1CCCC[C@]1(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457272174 383008809 /nfs/dbraw/zinc/00/88/09/383008809.db2.gz UHGABCPLPQSEGZ-BONVTDFDSA-N 0 1 292.335 2.999 20 5 CFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000579591874 383032224 /nfs/dbraw/zinc/03/22/24/383032224.db2.gz RNJYDFASOSVMQL-GYSYKLTISA-N 0 1 292.335 2.698 20 5 CFBDMN CN(Cc1cccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338896153 383078421 /nfs/dbraw/zinc/07/84/21/383078421.db2.gz VWTYABUIAZIYCY-UHFFFAOYSA-N 0 1 278.333 2.994 20 5 CFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000579843975 383058862 /nfs/dbraw/zinc/05/88/62/383058862.db2.gz DBKKNXTXDCMHTO-JRPNMDOOSA-N 0 1 292.335 2.698 20 5 CFBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cnccn3)C2)cc1 ZINC000518482864 383199243 /nfs/dbraw/zinc/19/92/43/383199243.db2.gz HTWIBWNYEORIQK-AWEZNQCLSA-N 0 1 298.346 2.764 20 5 CFBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC23CC3)c1 ZINC000424183570 383200334 /nfs/dbraw/zinc/20/03/34/383200334.db2.gz JRFCKYBPXXGLJJ-LLVKDONJSA-N 0 1 284.262 2.838 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[C@H]1O ZINC000248411261 383237892 /nfs/dbraw/zinc/23/78/92/383237892.db2.gz DPRFWMGTJRCRGW-SMDDNHRTSA-N 0 1 298.770 2.841 20 5 CFBDMN COc1cc(CN2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000464695806 383313351 /nfs/dbraw/zinc/31/33/51/383313351.db2.gz WJSGQWGGHARNPM-VHSXEESVSA-N 0 1 282.315 2.973 20 5 CFBDMN Cc1nc(Nc2cnn([C@H](C)C3CC3)c2)ncc1[N+](=O)[O-] ZINC000450457007 383417677 /nfs/dbraw/zinc/41/76/77/383417677.db2.gz ZJFBLCUAADXADN-SECBINFHSA-N 0 1 288.311 2.604 20 5 CFBDMN CCOc1cc(CN2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000451325953 383591897 /nfs/dbraw/zinc/59/18/97/383591897.db2.gz PIHXVQIFAVEHAL-LBPRGKRZSA-N 0 1 296.392 2.931 20 5 CFBDMN Cc1ccc([C@@H](C)NCc2c([N+](=O)[O-])ncn2C)c(C)c1 ZINC000341118102 383571410 /nfs/dbraw/zinc/57/14/10/383571410.db2.gz GFDBTCTXGQLXAQ-GFCCVEGCSA-N 0 1 288.351 2.796 20 5 CFBDMN CO[C@H]1C[C@H](NCc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451498189 383628685 /nfs/dbraw/zinc/62/86/85/383628685.db2.gz MXGNLQOJDJDGOF-STQMWFEESA-N 0 1 282.315 2.637 20 5 CFBDMN Cc1nnc(SCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000436477159 383821667 /nfs/dbraw/zinc/82/16/67/383821667.db2.gz WOSVQNSJNLILAE-UHFFFAOYSA-N 0 1 283.334 2.753 20 5 CFBDMN Cc1ccnc(NC[C@@H](c2ccco2)N(C)C)c1[N+](=O)[O-] ZINC000265176770 383853786 /nfs/dbraw/zinc/85/37/86/383853786.db2.gz IEGIRQKKURVHIV-NSHDSACASA-N 0 1 290.323 2.606 20 5 CFBDMN C[C@@H](NCc1ccn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000267064032 384290857 /nfs/dbraw/zinc/29/08/57/384290857.db2.gz HJRUFUDLGDEXKT-LLVKDONJSA-N 0 1 259.309 2.784 20 5 CFBDMN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000267677468 384441312 /nfs/dbraw/zinc/44/13/12/384441312.db2.gz PWIGBPPPLNEDFT-NXEZZACHSA-N 0 1 275.308 2.824 20 5 CFBDMN CN(Cc1ccccc1[N+](=O)[O-])CC1CCC(=O)CC1 ZINC000289396223 197327570 /nfs/dbraw/zinc/32/75/70/197327570.db2.gz ROIGMEWEDOQTPI-UHFFFAOYSA-N 0 1 276.336 2.786 20 5 CFBDMN Cc1[nH]nc(C(=O)N(C)C2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000268063509 384522389 /nfs/dbraw/zinc/52/23/89/384522389.db2.gz WGVMRDNQIBJCHZ-UHFFFAOYSA-N 0 1 294.355 2.667 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2sccc2C1 ZINC000338931973 285137166 /nfs/dbraw/zinc/13/71/66/285137166.db2.gz VSVLHOXWOSYKNT-UHFFFAOYSA-N 0 1 290.344 2.920 20 5 CFBDMN CC[C@H](C)CN(CC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269505228 384771648 /nfs/dbraw/zinc/77/16/48/384771648.db2.gz NSQVURBPBQJFKG-JTQLQIEISA-N 0 1 296.371 2.950 20 5 CFBDMN Cc1occc1CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269687350 384838060 /nfs/dbraw/zinc/83/80/60/384838060.db2.gz TVEMJXUUBMELSD-HNNXBMFYSA-N 0 1 290.319 2.662 20 5 CFBDMN CCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000270703844 385198450 /nfs/dbraw/zinc/19/84/50/385198450.db2.gz JGDDTQYLVGLJPX-ZETCQYMHSA-N 0 1 279.275 2.588 20 5 CFBDMN Cc1cnc(N[C@@H](C)c2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000270621118 385167229 /nfs/dbraw/zinc/16/72/29/385167229.db2.gz CIEPVJAGKVXZHC-VIFPVBQESA-N 0 1 290.327 2.713 20 5 CFBDMN COC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000271051433 385321168 /nfs/dbraw/zinc/32/11/68/385321168.db2.gz WLGAXSAZTUCNRP-UHFFFAOYSA-N 0 1 264.325 2.514 20 5 CFBDMN CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272613646 385575511 /nfs/dbraw/zinc/57/55/11/385575511.db2.gz WVPXFCSVDGPZNQ-KOLCDFICSA-N 0 1 278.308 2.704 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000272591785 385571010 /nfs/dbraw/zinc/57/10/10/385571010.db2.gz VVQZRCQFNPGJEX-HZMBPMFUSA-N 0 1 290.319 2.705 20 5 CFBDMN CN(Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCCC[C@@H]1O ZINC000272623675 385578703 /nfs/dbraw/zinc/57/87/03/385578703.db2.gz YVDTVOSWCVQGBU-RYUDHWBXSA-N 0 1 284.381 2.639 20 5 CFBDMN Cc1nc([C@@H](C)Nc2ccc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000286419668 385615460 /nfs/dbraw/zinc/61/54/60/385615460.db2.gz OMDKEYHRGIVRGL-MRVPVSSYSA-N 0 1 261.285 2.503 20 5 CFBDMN C[C@H]1CCCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000274724820 385857550 /nfs/dbraw/zinc/85/75/50/385857550.db2.gz GMNIBROGRNLDKB-JTQLQIEISA-N 0 1 278.308 2.563 20 5 CFBDMN CC(C)[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274712938 385855378 /nfs/dbraw/zinc/85/53/78/385855378.db2.gz LWYYHVCYHQYQPY-AWEZNQCLSA-N 0 1 292.335 2.951 20 5 CFBDMN Cc1[nH]nc(C(=O)N2CCC(C)(C(C)C)CC2)c1[N+](=O)[O-] ZINC000275195674 385954595 /nfs/dbraw/zinc/95/45/95/385954595.db2.gz BVCYYMUBGNONBK-UHFFFAOYSA-N 0 1 294.355 2.525 20 5 CFBDMN C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000408373084 296463611 /nfs/dbraw/zinc/46/36/11/296463611.db2.gz KFSYVWZNCLFTQE-MNOVXSKESA-N 0 1 292.335 2.951 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@]3(C2)CCCOC3)c(F)c1 ZINC000342011537 130198483 /nfs/dbraw/zinc/19/84/83/130198483.db2.gz GJCQUADFRVQBQY-HNNXBMFYSA-N 0 1 294.326 2.736 20 5 CFBDMN CCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227648031 130849231 /nfs/dbraw/zinc/84/92/31/130849231.db2.gz QQCJDLGIBDIHKT-SECBINFHSA-N 0 1 284.747 2.539 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(C2CC2)CC1 ZINC000266907924 131796755 /nfs/dbraw/zinc/79/67/55/131796755.db2.gz KJDQDYMRHSSVRA-UHFFFAOYSA-N 0 1 295.770 2.528 20 5 CFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C)(O)CC1 ZINC000268480333 132015115 /nfs/dbraw/zinc/01/51/15/132015115.db2.gz RZKKQOBPHFXUFO-LLVKDONJSA-N 0 1 264.325 2.503 20 5 CFBDMN CC(C)SCCNCc1ccc([N+](=O)[O-])cc1F ZINC000310824448 393518939 /nfs/dbraw/zinc/51/89/39/393518939.db2.gz ITSJNNFXUWEVGE-UHFFFAOYSA-N 0 1 272.345 2.965 20 5 CFBDMN CC(C)(C)CCN1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195510365 393742349 /nfs/dbraw/zinc/74/23/49/393742349.db2.gz GLSQMKABVIEJAC-UHFFFAOYSA-N 0 1 298.412 2.610 20 5 CFBDMN CC[C@H](C)N(CCO)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000336814160 393749643 /nfs/dbraw/zinc/74/96/43/393749643.db2.gz WLDVQEIVDINTTL-JTQLQIEISA-N 0 1 286.759 2.841 20 5 CFBDMN Cc1cc(N2C[C@@H](C)N(C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000338796390 393800826 /nfs/dbraw/zinc/80/08/26/393800826.db2.gz SCVJZHZURURIGV-GHMZBOCLSA-N 0 1 281.331 2.571 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCCCOC ZINC000418133288 394016792 /nfs/dbraw/zinc/01/67/92/394016792.db2.gz KHIHZWZECOLVEL-UHFFFAOYSA-N 0 1 296.367 2.852 20 5 CFBDMN COCCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000418140530 394019726 /nfs/dbraw/zinc/01/97/26/394019726.db2.gz VQWNNTHYSXIVSK-UHFFFAOYSA-N 0 1 258.343 2.515 20 5 CFBDMN CC(C)N1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265514179 393973877 /nfs/dbraw/zinc/97/38/77/393973877.db2.gz LAFFHUWAWFAZDB-UHFFFAOYSA-N 0 1 298.774 2.564 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000269488657 394004525 /nfs/dbraw/zinc/00/45/25/394004525.db2.gz XGISMYZTQWPCJI-UWVGGRQHSA-N 0 1 294.355 2.844 20 5 CFBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1c(O)cccc1F ZINC000437003437 394042334 /nfs/dbraw/zinc/04/23/34/394042334.db2.gz VIZQWNGVBNGJLH-UHFFFAOYSA-N 0 1 294.213 2.831 20 5 CFBDMN CC[C@@]1(CO)CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000275833090 394047671 /nfs/dbraw/zinc/04/76/71/394047671.db2.gz MIBGABZQDBNOPJ-AWEZNQCLSA-N 0 1 298.770 2.985 20 5 CFBDMN C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000439259348 394106993 /nfs/dbraw/zinc/10/69/93/394106993.db2.gz JNCWDLKODUDPPJ-JOCQHMNTSA-N 0 1 298.770 2.984 20 5 CFBDMN 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C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCO1 ZINC000035368238 172159885 /nfs/dbraw/zinc/15/98/85/172159885.db2.gz WZLWOLBETXKNLQ-TVQRCGJNSA-N 0 1 284.743 2.905 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000364599596 275035306 /nfs/dbraw/zinc/03/53/06/275035306.db2.gz AKCOIEUABMQBRO-CYBMUJFWSA-N 0 1 291.307 2.877 20 5 CFBDMN CC(C)CN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000341390655 275577330 /nfs/dbraw/zinc/57/73/30/275577330.db2.gz VDJRZKMAOAJEPE-UHFFFAOYSA-N 0 1 281.331 2.512 20 5 CFBDMN CC(C)[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000343207418 276032924 /nfs/dbraw/zinc/03/29/24/276032924.db2.gz PZIAKTVGXKJRPO-CYBMUJFWSA-N 0 1 281.331 2.510 20 5 CFBDMN C[C@@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339611008 277903003 /nfs/dbraw/zinc/90/30/03/277903003.db2.gz APKSCRGDANVCPM-GHMZBOCLSA-N 0 1 297.786 2.773 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000269332188 278001034 /nfs/dbraw/zinc/00/10/34/278001034.db2.gz 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CC[C@@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905851922 621888727 /nfs/dbraw/zinc/88/87/27/621888727.db2.gz DHQILTJENQVSNL-IJLUTSLNSA-N 0 1 293.367 2.549 20 5 CFBDMN CCCCNC(=O)[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905854996 621889595 /nfs/dbraw/zinc/88/95/95/621889595.db2.gz YURXYTXIIAETNW-VXGBXAGGSA-N 0 1 293.367 2.550 20 5 CFBDMN O=[N+]([O-])c1ccc(-c2cnc([C@@H]3CCCCN3)nc2)cc1 ZINC000906171027 621942984 /nfs/dbraw/zinc/94/29/84/621942984.db2.gz CNGZBZSIPDZFEI-AWEZNQCLSA-N 0 1 284.319 2.866 20 5 CFBDMN CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840407587 622801468 /nfs/dbraw/zinc/80/14/68/622801468.db2.gz PLXZLWUPHBWYES-MWLCHTKSSA-N 0 1 296.298 2.607 20 5 CFBDMN CC(C)C[C@H](O)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000225588838 623045325 /nfs/dbraw/zinc/04/53/25/623045325.db2.gz XHTYNXHOWHBSFU-LBPRGKRZSA-N 0 1 286.759 2.745 20 5 CFBDMN O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCCN3)n2)s1 ZINC000823069870 623228111 /nfs/dbraw/zinc/22/81/11/623228111.db2.gz VXDYZIHOJBELOL-SSDOTTSWSA-N 0 1 280.309 2.521 20 5 CFBDMN CCOC[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000172156663 623265470 /nfs/dbraw/zinc/26/54/70/623265470.db2.gz RDSLBJCXQUYKKC-LBPRGKRZSA-N 0 1 296.342 2.982 20 5 CFBDMN CCC[C@@H]1[C@H](C)CCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000173388370 623345747 /nfs/dbraw/zinc/34/57/47/623345747.db2.gz ZJBQFVPEWHSJDR-DGCLKSJQSA-N 0 1 266.345 2.649 20 5 CFBDMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000827834132 624107676 /nfs/dbraw/zinc/10/76/76/624107676.db2.gz HLEKSKSDKINHJG-XXILOJSOSA-N 0 1 282.727 2.525 20 5 CFBDMN C[C@@H]1[C@H](c2ccccc2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000175263945 624942448 /nfs/dbraw/zinc/94/24/48/624942448.db2.gz AQLIZVHVBJIWLS-IUODEOHRSA-N 0 1 286.335 2.627 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC2([C@H]3CCCCO3)CC2)c(F)c1 ZINC000923031175 626444363 /nfs/dbraw/zinc/44/43/63/626444363.db2.gz VKECQWRWJBMOKB-CQSZACIVSA-N 0 1 294.326 2.925 20 5 CFBDMN CSCC[C@@H](C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886068371 626482966 /nfs/dbraw/zinc/48/29/66/626482966.db2.gz WTSRELBTOMNMOK-SNVBAGLBSA-N 0 1 269.370 2.563 20 5 CFBDMN CCO[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839147296 626526157 /nfs/dbraw/zinc/52/61/57/626526157.db2.gz HJFXSPXCRFCVGN-KLPPZKSPSA-N 0 1 284.743 2.905 20 5 CFBDMN C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839508161 626538361 /nfs/dbraw/zinc/53/83/61/626538361.db2.gz DSZKRFKXGAFSCY-HLUHBDAQSA-N 0 1 282.727 2.525 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CCN(CCCCCCO)C2 ZINC000757167224 626546118 /nfs/dbraw/zinc/54/61/18/626546118.db2.gz CDVIJWUJAOERCV-UHFFFAOYSA-N 0 1 278.352 2.506 20 5 CFBDMN CC[C@@H](c1ccccc1)N(CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839602741 626547747 /nfs/dbraw/zinc/54/77/47/626547747.db2.gz UCJWDWDUENOKJH-HZSPNIEDSA-N 0 1 276.336 2.651 20 5 CFBDMN O=C(OC1(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000770912179 627557352 /nfs/dbraw/zinc/55/73/52/627557352.db2.gz DAYXYWBCXIRFJJ-UHFFFAOYSA-N 0 1 286.287 2.855 20 5 CFBDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771459423 627605959 /nfs/dbraw/zinc/60/59/59/627605959.db2.gz JYIMWWCIQBNBIR-WDEREUQCSA-N 0 1 297.786 2.773 20 5 CFBDMN COC(=O)/C(C)=C\CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775550000 628036456 /nfs/dbraw/zinc/03/64/56/628036456.db2.gz WCMNHJVHOMVBDU-SEVUFMINSA-N 0 1 292.335 2.673 20 5 CFBDMN C[C@@H]1CCC[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000776114920 628105271 /nfs/dbraw/zinc/10/52/71/628105271.db2.gz ZQZZUCDSYBAZAY-NXEZZACHSA-N 0 1 266.297 2.906 20 5 CFBDMN O=C(OCc1sccc1Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000786552846 628968478 /nfs/dbraw/zinc/96/84/78/628968478.db2.gz KCIZOKRHLFHPGD-UHFFFAOYSA-N 0 1 286.696 2.995 20 5 CFBDMN O=C(OCCCCc1nccs1)c1ccc([N+](=O)[O-])[nH]1 ZINC000793367214 629532050 /nfs/dbraw/zinc/53/20/50/629532050.db2.gz UPSKLXUZZWYSJI-UHFFFAOYSA-N 0 1 295.320 2.559 20 5 CFBDMN O=C(O[C@H]1C=CCCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000793404843 629539395 /nfs/dbraw/zinc/53/93/95/629539395.db2.gz ZSDUOCRTUYEIAY-JTQLQIEISA-N 0 1 264.281 2.969 20 5 CFBDMN CC(C)[C@@H](C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000798819642 630242133 /nfs/dbraw/zinc/24/21/33/630242133.db2.gz DHLJCVOGOZMAMC-RISCZKNCSA-N 0 1 294.351 2.785 20 5 CFBDMN CC(C)[C@@H](C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000798819830 630242214 /nfs/dbraw/zinc/24/22/14/630242214.db2.gz KYQOTYYDQVAHEK-RISCZKNCSA-N 0 1 294.351 2.785 20 5 CFBDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852739810 634817709 /nfs/dbraw/zinc/81/77/09/634817709.db2.gz HCLMVWFSXHBWFN-UHFFFAOYSA-N 0 1 298.314 2.667 20 5 CFBDMN CC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000837565622 631068741 /nfs/dbraw/zinc/06/87/41/631068741.db2.gz QITFAAJTEFOOJC-UHFFFAOYSA-N 0 1 265.265 2.534 20 5 CFBDMN CC(C)(C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C(F)F ZINC000837697659 631110830 /nfs/dbraw/zinc/11/08/30/631110830.db2.gz YALRZWUHBADGNN-UHFFFAOYSA-N 0 1 289.234 2.635 20 5 CFBDMN O=[N+]([O-])c1cccc(CNc2nccn2C2CC2)c1 ZINC000840886957 631252107 /nfs/dbraw/zinc/25/21/07/631252107.db2.gz PCZICJAEYBNLHB-UHFFFAOYSA-N 0 1 258.281 2.738 20 5 CFBDMN CO[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809718362 631270509 /nfs/dbraw/zinc/27/05/09/631270509.db2.gz SZSQJLXDSALPFZ-VIFPVBQESA-N 0 1 272.732 2.715 20 5 CFBDMN CC(C)N(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000841241959 631367336 /nfs/dbraw/zinc/36/73/36/631367336.db2.gz FJSZMNVCNPXNOK-MRVWCRGKSA-N 0 1 276.336 2.650 20 5 CFBDMN CCC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000842299254 631582182 /nfs/dbraw/zinc/58/21/82/631582182.db2.gz KETDDCOYIXUTKA-UPJWGTAASA-N 0 1 263.293 2.736 20 5 CFBDMN C[C@@H](Cc1ccc(Cl)s1)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842328521 631594115 /nfs/dbraw/zinc/59/41/15/631594115.db2.gz ZESJAWJOGDMPTJ-NBEYISGCSA-N 0 1 289.740 2.541 20 5 CFBDMN O=[N+]([O-])c1ccc(/C=C/c2nc([C@H]3CCCN3)no2)cc1 ZINC000842645957 631691447 /nfs/dbraw/zinc/69/14/47/631691447.db2.gz NMBXDOFLELTUGO-FZKGZDJFSA-N 0 1 286.291 2.573 20 5 CFBDMN CCc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1[N+](=O)[O-] ZINC000843150545 631864113 /nfs/dbraw/zinc/86/41/13/631864113.db2.gz UJTQECYPGTYDMZ-GFCCVEGCSA-N 0 1 290.323 2.863 20 5 CFBDMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000843238338 631910384 /nfs/dbraw/zinc/91/03/84/631910384.db2.gz PUKYEZSZBSSULH-MRVPVSSYSA-N 0 1 294.311 2.935 20 5 CFBDMN O=C(N[C@@H](C1CCC1)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000843715526 632037155 /nfs/dbraw/zinc/03/71/55/632037155.db2.gz GLECPGVILUTLKO-MGPQQGTHSA-N 0 1 280.368 2.517 20 5 CFBDMN CON(Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000815086935 632198530 /nfs/dbraw/zinc/19/85/30/632198530.db2.gz QSRCFSWKDBNLRS-UHFFFAOYSA-N 0 1 288.303 2.864 20 5 CFBDMN C[C@H](CO)C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000844419436 632202886 /nfs/dbraw/zinc/20/28/86/632202886.db2.gz MLOOKZGCIPQFDX-LLVKDONJSA-N 0 1 296.342 2.574 20 5 CFBDMN Cc1cncc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815598871 632295535 /nfs/dbraw/zinc/29/55/35/632295535.db2.gz FLNNZHXBEULNOD-LLVKDONJSA-N 0 1 286.335 2.731 20 5 CFBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844936580 632341816 /nfs/dbraw/zinc/34/18/16/632341816.db2.gz JIOQJRZZDWZGFY-SNVBAGLBSA-N 0 1 286.715 2.543 20 5 CFBDMN C[C@@H]1CC[C@@H](C)[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000816225588 632398822 /nfs/dbraw/zinc/39/88/22/632398822.db2.gz VGIZTAYAPMUOHN-KKZNHRDASA-N 0 1 266.297 2.904 20 5 CFBDMN O=C(O[C@@H]1CCCc2cccnc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000845651354 632504920 /nfs/dbraw/zinc/50/49/20/632504920.db2.gz MJQVKUZDXHSRNX-LLVKDONJSA-N 0 1 287.275 2.552 20 5 CFBDMN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000846246955 632673717 /nfs/dbraw/zinc/67/37/17/632673717.db2.gz MVCCZJXJOZUHLC-JTQLQIEISA-N 0 1 292.335 2.913 20 5 CFBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1CC1CCCC1 ZINC000848507081 633268089 /nfs/dbraw/zinc/26/80/89/633268089.db2.gz UCDKKKFEPDEQGB-CYBMUJFWSA-N 0 1 278.356 2.794 20 5 CFBDMN C[C@@H](NCc1cnc(Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000848530443 633279001 /nfs/dbraw/zinc/27/90/01/633279001.db2.gz GUDMWRPSGNSRHM-SECBINFHSA-N 0 1 294.742 2.833 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000850389494 633973225 /nfs/dbraw/zinc/97/32/25/633973225.db2.gz YLCFUMJEABWVJJ-STQMWFEESA-N 0 1 296.754 2.641 20 5 CFBDMN CSc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855235620 635491101 /nfs/dbraw/zinc/49/11/01/635491101.db2.gz JSGHJTNBXFUORG-VXNVDRBHSA-N 0 1 286.740 2.666 20 5 CFBDMN O=C(Nc1ccc2ccn(C(F)F)c2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855529148 635573144 /nfs/dbraw/zinc/57/31/44/635573144.db2.gz FORRCEHUKCIXBO-MWLCHTKSSA-N 0 1 295.245 2.640 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCCCC[C@H]1CO ZINC000157127188 650213796 /nfs/dbraw/zinc/21/37/96/650213796.db2.gz TVZVLCADFDACID-ZDUSSCGKSA-N 0 1 298.770 2.985 20 5 CFBDMN CCN[C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000863661258 637733439 /nfs/dbraw/zinc/73/34/39/637733439.db2.gz LIKXXTRFNWCISU-SECBINFHSA-N 0 1 276.296 2.624 20 5 CFBDMN COc1cncc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000865786755 638574096 /nfs/dbraw/zinc/57/40/96/638574096.db2.gz AXYNAVTXYGWVMP-UHFFFAOYSA-N 0 1 287.319 2.597 20 5 CFBDMN C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccnn1C ZINC000865839624 638604636 /nfs/dbraw/zinc/60/46/36/638604636.db2.gz PJRMBNQISPPJHK-SECBINFHSA-N 0 1 294.742 2.833 20 5 CFBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nccs1 ZINC000866236799 638777034 /nfs/dbraw/zinc/77/70/34/638777034.db2.gz CTXQFEZKWUELPF-VIFPVBQESA-N 0 1 295.339 2.911 20 5 CFBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC(c3ccccc3)C2)cc1 ZINC000871988195 641544450 /nfs/dbraw/zinc/54/44/50/641544450.db2.gz LVBHQPPSRPSOKN-KRWDZBQOSA-N 0 1 298.342 2.728 20 5 CFBDMN CC[C@H](CCO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038669 641571568 /nfs/dbraw/zinc/57/15/68/641571568.db2.gz OQVQIAYHISDNLN-VHSXEESVSA-N 0 1 270.304 2.546 20 5 CFBDMN CC[C@@H](O)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043543 641578079 /nfs/dbraw/zinc/57/80/79/641578079.db2.gz JFHQUHIBPSORQR-NXEZZACHSA-N 0 1 270.304 2.546 20 5 CFBDMN COC(C)(C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872045327 641580144 /nfs/dbraw/zinc/58/01/44/641580144.db2.gz ZKGHOSNXOGXSAF-VIFPVBQESA-N 0 1 270.304 2.810 20 5 CFBDMN COC[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872051068 641584791 /nfs/dbraw/zinc/58/47/91/641584791.db2.gz FODXQXLAIJBXAG-CABZTGNLSA-N 0 1 282.315 2.810 20 5 CFBDMN C[C@@H](NCCC(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872062922 641593943 /nfs/dbraw/zinc/59/39/43/641593943.db2.gz LZEBDKBGULBTLW-SECBINFHSA-N 0 1 270.304 2.546 20 5 CFBDMN C[C@@H](N[C@H]1CCCC[C@@H]1O)c1c(F)cccc1[N+](=O)[O-] ZINC000872063938 641595119 /nfs/dbraw/zinc/59/51/19/641595119.db2.gz ALFVRHHRRXWFPF-CDMKHQONSA-N 0 1 282.315 2.688 20 5 CFBDMN C/C=C\C[C@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063663 641595731 /nfs/dbraw/zinc/59/57/31/641595731.db2.gz RLCKGALTVUKZPI-CBZSPVTBSA-N 0 1 282.315 2.712 20 5 CFBDMN C[C@@H](N[C@H](CO)CC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069062 641600158 /nfs/dbraw/zinc/60/01/58/641600158.db2.gz LNPWCXNAAYVRRY-PWSUYJOCSA-N 0 1 296.342 2.936 20 5 CFBDMN C[C@H](NCCN1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069731 641601255 /nfs/dbraw/zinc/60/12/55/641601255.db2.gz UBOKHLFYFNTZEX-LBPRGKRZSA-N 0 1 293.342 2.646 20 5 CFBDMN CO[C@H](C)[C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872072404 641603762 /nfs/dbraw/zinc/60/37/62/641603762.db2.gz FJXYXZZPGHSILN-OPRDCNLKSA-N 0 1 270.304 2.808 20 5 CFBDMN C[C@H](N[C@H](CO)C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074162 641605670 /nfs/dbraw/zinc/60/56/70/641605670.db2.gz YDSKRWCLCSAAMS-GXFFZTMASA-N 0 1 296.342 2.936 20 5 CFBDMN C[C@@H](NC[C@H]1CC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077513 641610630 /nfs/dbraw/zinc/61/06/30/641610630.db2.gz JWXKSCPJBKOTIE-GMTAPVOTSA-N 0 1 282.315 2.952 20 5 CFBDMN CC[C@@H]1OCC[C@H]1N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872078733 641611716 /nfs/dbraw/zinc/61/17/16/641611716.db2.gz IYUMNLMQOXDOEL-XWIASGKRSA-N 0 1 282.315 2.952 20 5 CFBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC/C=C/CO ZINC000872086846 641620325 /nfs/dbraw/zinc/62/03/25/641620325.db2.gz YJGKCHPIYYWQKF-HMDXOVGESA-N 0 1 282.365 2.516 20 5 CFBDMN Cc1nn(CN(C)C[C@@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000872818144 641946044 /nfs/dbraw/zinc/94/60/44/641946044.db2.gz GZJGSMVCAUKJKR-SNVBAGLBSA-N 0 1 282.388 2.980 20 5 CFBDMN Cc1ccc(O)c(CN[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000873184079 642053687 /nfs/dbraw/zinc/05/36/87/642053687.db2.gz AXGVOSKVNXHWLI-LLVKDONJSA-N 0 1 287.319 2.855 20 5 CFBDMN CS[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877700789 643463080 /nfs/dbraw/zinc/46/30/80/643463080.db2.gz VNXXCWZKYPBUJU-CZMCAQCFSA-N 0 1 293.348 2.720 20 5 CFBDMN CO[C@H]1CC[C@H](C)N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000879318285 644223368 /nfs/dbraw/zinc/22/33/68/644223368.db2.gz SKGWNGFQCKAUQH-AAEUAGOBSA-N 0 1 264.325 2.594 20 5 CFBDMN CO[C@H]1CC[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000879319533 644223912 /nfs/dbraw/zinc/22/39/12/644223912.db2.gz WVKOSPILLGKECX-RISCZKNCSA-N 0 1 264.325 2.594 20 5 CFBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2CSC[C@H]2C1 ZINC000879555638 644316374 /nfs/dbraw/zinc/31/63/74/644316374.db2.gz AILIJIOMTKVYMT-CMPLNLGQSA-N 0 1 296.367 2.919 20 5 CFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)CC(C)(C)C1 ZINC000879616668 644350502 /nfs/dbraw/zinc/35/05/02/644350502.db2.gz IDQNGAGWRAWAKN-RISCZKNCSA-N 0 1 278.352 2.749 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCn3nccc32)cc1F ZINC000879788877 644423928 /nfs/dbraw/zinc/42/39/28/644423928.db2.gz UEZMHWBTTDDTDK-GFCCVEGCSA-N 0 1 290.298 2.555 20 5 CFBDMN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cccnc1 ZINC000094773231 650963275 /nfs/dbraw/zinc/96/32/75/650963275.db2.gz FWFRUZMFCAQZTI-JTQLQIEISA-N 0 1 275.283 2.980 20 5 CFBDMN CC[C@@H](CSC)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886105129 646874520 /nfs/dbraw/zinc/87/45/20/646874520.db2.gz SNXYZRQGOGGNMN-NSHDSACASA-N 0 1 269.370 2.563 20 5 CFBDMN C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])CC1(C)C ZINC000886133875 646888464 /nfs/dbraw/zinc/88/84/64/646888464.db2.gz CZUNODJYDGRYPA-NSHDSACASA-N 0 1 263.341 2.858 20 5 CFBDMN COCCN(Cc1cccnc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000886168716 646904961 /nfs/dbraw/zinc/90/49/61/646904961.db2.gz XOSWJOLFYOZZFZ-OCCSQVGLSA-N 0 1 293.367 2.627 20 5 CFBDMN CCN(Cc1cccnc1[N+](=O)[O-])CC(C)(C)C ZINC000886213750 646923701 /nfs/dbraw/zinc/92/37/01/646923701.db2.gz ZWGPKGXWBOVXQD-UHFFFAOYSA-N 0 1 251.330 2.858 20 5 CFBDMN CSC[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886215108 646923901 /nfs/dbraw/zinc/92/39/01/646923901.db2.gz DKSBWVTUDLGKLN-LLVKDONJSA-N 0 1 281.381 2.565 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H](CCF)C1 ZINC000886280419 646949957 /nfs/dbraw/zinc/94/99/57/646949957.db2.gz DQZOBVBNSVVYIF-LLVKDONJSA-N 0 1 267.304 2.561 20 5 CFBDMN CC(C)[C@@H](NCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000886543137 647040181 /nfs/dbraw/zinc/04/01/81/647040181.db2.gz LDOQEKRKIXPUPY-OAHLLOKOSA-N 0 1 288.351 2.815 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CC[C@@H]([C@@H]3CCCO3)C2)cs1 ZINC000886832043 647155410 /nfs/dbraw/zinc/15/54/10/647155410.db2.gz ABCLUBPUNFWRQY-NEPJUHHUSA-N 0 1 282.365 2.657 20 5 CFBDMN O=[N+]([O-])CCN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000929881915 649143978 /nfs/dbraw/zinc/14/39/78/649143978.db2.gz IFIKSYWCDKSISW-ZDUSSCGKSA-N 0 1 273.336 2.624 20 5 CFBDMN C[C@@H](NCC[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000930211470 649207399 /nfs/dbraw/zinc/20/73/99/649207399.db2.gz OZBJEPDLPCKJRR-SECBINFHSA-N 0 1 292.257 2.555 20 5 CFBDMN CC1(C)[C@H](c2ccccc2F)CCN1CC[N+](=O)[O-] ZINC000931555992 649453669 /nfs/dbraw/zinc/45/36/69/649453669.db2.gz YXAXFJGDGLRAPR-LBPRGKRZSA-N 0 1 266.316 2.670 20 5 CFBDMN CC(C)(C)OC[C@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000932169278 649557740 /nfs/dbraw/zinc/55/77/40/649557740.db2.gz PPHYJCDEJLAYEW-CYBMUJFWSA-N 0 1 293.367 2.769 20 5 CFBDMN CCOc1cc(CN(C)[C@@H]2CC[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000934109527 649750388 /nfs/dbraw/zinc/75/03/88/649750388.db2.gz AOLAUQDVVWCXSR-OCCSQVGLSA-N 0 1 294.351 2.603 20 5 CFBDMN COc1cc([C@@H](C)NCC[N+](=O)[O-])cc2ccccc21 ZINC000934629349 649807009 /nfs/dbraw/zinc/80/70/09/649807009.db2.gz DMYMZJFKJGHVHC-LLVKDONJSA-N 0 1 274.320 2.776 20 5 CFBDMN Cc1nc(C)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000724674057 773240589 /nfs/dbraw/zinc/24/05/89/773240589.db2.gz LURMXNDRWFKCQW-SECBINFHSA-N 0 1 274.324 2.786 20 5 CFBDMN CCOC(=O)[C@H](CC(C)C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225491275 775478260 /nfs/dbraw/zinc/47/82/60/775478260.db2.gz NRCVPEQGVMDVBN-ZDUSSCGKSA-N 0 1 297.307 2.657 20 5 CFBDMN CCCCOC[C@@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225489928 775479205 /nfs/dbraw/zinc/47/92/05/775479205.db2.gz DLDKAKWKWSWSCA-SNVBAGLBSA-N 0 1 269.297 2.884 20 5 CFBDMN CC[N@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795041 775596129 /nfs/dbraw/zinc/59/61/29/775596129.db2.gz ANRPCAGTPQVYAU-JTQLQIEISA-N 0 1 268.288 2.597 20 5 CFBDMN CCN1CCC[C@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795041 775596136 /nfs/dbraw/zinc/59/61/36/775596136.db2.gz ANRPCAGTPQVYAU-JTQLQIEISA-N 0 1 268.288 2.597 20 5 CFBDMN CC[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC001226530926 775862179 /nfs/dbraw/zinc/86/21/79/775862179.db2.gz IJAPBQNDAJFAGX-CYBMUJFWSA-N 0 1 292.335 2.661 20 5 CFBDMN CCN1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC001226530926 775862185 /nfs/dbraw/zinc/86/21/85/775862185.db2.gz IJAPBQNDAJFAGX-CYBMUJFWSA-N 0 1 292.335 2.661 20 5 CFBDMN CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001226531804 775862948 /nfs/dbraw/zinc/86/29/48/775862948.db2.gz NNFQEYFQAQNBDR-CYBMUJFWSA-N 0 1 292.335 2.659 20 5 CFBDMN CC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(C(C)C)C1 ZINC001226531804 775862958 /nfs/dbraw/zinc/86/29/58/775862958.db2.gz NNFQEYFQAQNBDR-CYBMUJFWSA-N 0 1 292.335 2.659 20 5 CFBDMN CCC[C@H](CC)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228604863 776537521 /nfs/dbraw/zinc/53/75/21/776537521.db2.gz XGZKUYQDALKCTP-VIFPVBQESA-N 0 1 281.312 2.925 20 5 CFBDMN O=c1[nH]c(C2CC2)nc(O[C@H]2CCCC[C@@H]2F)c1[N+](=O)[O-] ZINC001228609151 776538978 /nfs/dbraw/zinc/53/89/78/776538978.db2.gz ABUYXOIEHUSVFB-IUCAKERBSA-N 0 1 297.286 2.627 20 5 CFBDMN CN1CC[C@H](Oc2c([N+](=O)[O-])cccc2C(F)(F)F)C1 ZINC001228930371 776660907 /nfs/dbraw/zinc/66/09/07/776660907.db2.gz LCSOUBNDTYOSDG-QMMMGPOBSA-N 0 1 290.241 2.697 20 5 CFBDMN C[C@@H]1C[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000402051684 776784180 /nfs/dbraw/zinc/78/41/80/776784180.db2.gz PRIUDSGPBAJDQO-KCJUWKMLSA-N 0 1 270.716 2.515 20 5 CFBDMN C[C@@H]1C[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])CO1 ZINC000402051687 776784413 /nfs/dbraw/zinc/78/44/13/776784413.db2.gz PRIUDSGPBAJDQO-LDYMZIIASA-N 0 1 270.716 2.515 20 5 CFBDMN CC[C@@H]1CCCC[C@@H]1Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382640 776796978 /nfs/dbraw/zinc/79/69/78/776796978.db2.gz WGIUARRIWXOFBF-ZJUUUORDSA-N 0 1 281.312 2.746 20 5 CFBDMN CC[C@@H](C)CC[C@@H](C)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382247 776797193 /nfs/dbraw/zinc/79/71/93/776797193.db2.gz QSUCBPHBWFSPJU-RKDXNWHRSA-N 0 1 283.328 2.992 20 5 CFBDMN C[C@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CO1 ZINC000402069328 776828954 /nfs/dbraw/zinc/82/89/54/776828954.db2.gz YKQZPMZOJPNVAL-KWQFWETISA-N 0 1 270.716 2.515 20 5 CFBDMN C[C@@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])CO1 ZINC000402069327 776829604 /nfs/dbraw/zinc/82/96/04/776829604.db2.gz YKQZPMZOJPNVAL-KCJUWKMLSA-N 0 1 270.716 2.515 20 5 CFBDMN Cc1cc([N+](=O)[O-])c(O[C@H]2CN3CCC2CC3)cc1F ZINC001229892617 776912931 /nfs/dbraw/zinc/91/29/31/776912931.db2.gz CIFOSDBGMBWFHX-AWEZNQCLSA-N 0 1 280.299 2.515 20 5 CFBDMN C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC001225490807 776992863 /nfs/dbraw/zinc/99/28/63/776992863.db2.gz LFELWEUWAMYBED-ZETCQYMHSA-N 0 1 266.278 2.897 20 5 CFBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCCC[C@H]2F)n1 ZINC001231265151 777181579 /nfs/dbraw/zinc/18/15/79/777181579.db2.gz ZCMOAJAOSHPHQF-PSASIEDQSA-N 0 1 270.260 2.663 20 5 CFBDMN CC(C)(O)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000721873156 778249989 /nfs/dbraw/zinc/24/99/89/778249989.db2.gz WBHJLNLEEMFNQV-NSHDSACASA-N 0 1 298.770 2.841 20 5 CFBDMN Cc1cc([N+](=O)[O-])c(O[C@H]2CCCN(C)C2)cc1F ZINC001229894757 781049553 /nfs/dbraw/zinc/04/95/53/781049553.db2.gz KNXDIDYQDDLLFA-JTQLQIEISA-N 0 1 268.288 2.515 20 5 CFBDMN CN(CCCF)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC001119397607 781794414 /nfs/dbraw/zinc/79/44/14/781794414.db2.gz UFHFEKSMKLYLEA-UHFFFAOYSA-N 0 1 292.314 2.707 20 5 CFBDMN C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000594517728 349439279 /nfs/dbraw/zinc/43/92/79/349439279.db2.gz CSTDNZFRERDSSL-NVGVWMPQSA-N 0 1 298.342 2.904 20 5 CFBDMN C[C@@H]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)O1 ZINC000594983577 349538694 /nfs/dbraw/zinc/53/86/94/349538694.db2.gz FSRPGPVDUJMFSC-MFKMUULPSA-N 0 1 282.315 2.781 20 5 CFBDMN C[C@@H](O)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595007017 349546145 /nfs/dbraw/zinc/54/61/45/349546145.db2.gz OJGWLVBCSSYPPY-MLGOLLRUSA-N 0 1 286.331 2.807 20 5 CFBDMN C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1nccn1C ZINC000594996948 349542931 /nfs/dbraw/zinc/54/29/31/349542931.db2.gz VZPCESMOKRCYFZ-SMYYYNMVSA-N 0 1 286.335 2.692 20 5 CFBDMN CCCCN(CCOC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595314510 349600667 /nfs/dbraw/zinc/60/06/67/349600667.db2.gz GSBYUFITAYFZKY-UHFFFAOYSA-N 0 1 284.331 2.982 20 5 CFBDMN C[C@@H]1C[C@@H](C)N(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595330159 349603297 /nfs/dbraw/zinc/60/32/97/349603297.db2.gz KAUFDZDKXSRYCL-NXEZZACHSA-N 0 1 252.289 2.964 20 5 CFBDMN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595335995 349604225 /nfs/dbraw/zinc/60/42/25/349604225.db2.gz VVEYIDAYUWDNTL-AOOOYVTPSA-N 0 1 252.289 2.822 20 5 CFBDMN CCN(Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000595294568 349594108 /nfs/dbraw/zinc/59/41/08/349594108.db2.gz PNQGFRDBQCDZIE-JTQLQIEISA-N 0 1 255.318 2.758 20 5 CFBDMN Cc1noc(CN2CC[C@@]3(CC[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595428050 349623117 /nfs/dbraw/zinc/62/31/17/349623117.db2.gz ZIFBASAHSANOEJ-IINYFYTJSA-N 0 1 279.340 2.903 20 5 CFBDMN Cc1noc(CN[C@@H]2CCCCC2(C)C)c1[N+](=O)[O-] ZINC000595438786 349626660 /nfs/dbraw/zinc/62/66/60/349626660.db2.gz BLIUXFNQYIFLHU-LLVKDONJSA-N 0 1 267.329 2.950 20 5 CFBDMN CO[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595521994 349650151 /nfs/dbraw/zinc/65/01/51/349650151.db2.gz HLBQFYNHMIMGAK-YGRLFVJLSA-N 0 1 282.315 2.591 20 5 CFBDMN Cc1noc(CN(C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000595494405 349641848 /nfs/dbraw/zinc/64/18/48/349641848.db2.gz BHXJNECLXSFDDI-UHFFFAOYSA-N 0 1 289.282 2.901 20 5 CFBDMN CC[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000125708521 187197283 /nfs/dbraw/zinc/19/72/83/187197283.db2.gz PEKAUNKIEWYRFU-NWDGAFQWSA-N 0 1 291.351 2.654 20 5 CFBDMN C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595690098 349702111 /nfs/dbraw/zinc/70/21/11/349702111.db2.gz UMZJDNHRBNBYHN-GASCZTMLSA-N 0 1 294.326 2.592 20 5 CFBDMN C[C@@]12COC[C@]1(C)CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595690098 349702115 /nfs/dbraw/zinc/70/21/15/349702115.db2.gz UMZJDNHRBNBYHN-GASCZTMLSA-N 0 1 294.326 2.592 20 5 CFBDMN Cc1c(CN(C)C[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000126008698 187210679 /nfs/dbraw/zinc/21/06/79/187210679.db2.gz FOIWZAUNJGAJOK-CQSZACIVSA-N 0 1 278.352 2.904 20 5 CFBDMN C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1CCO ZINC000595703507 349710209 /nfs/dbraw/zinc/71/02/09/349710209.db2.gz SXSHECXXOZKTHR-ABAIWWIYSA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@]12COC[C@@H]1CN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595756876 349725605 /nfs/dbraw/zinc/72/56/05/349725605.db2.gz HCPZQKALWOXYNU-FZMZJTMJSA-N 0 1 296.754 2.717 20 5 CFBDMN C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595779510 349730887 /nfs/dbraw/zinc/73/08/87/349730887.db2.gz BGZYRACFPXYDNE-NEPJUHHUSA-N 0 1 264.325 2.594 20 5 CFBDMN Cc1noc(CSc2nc(C(C)(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000596016384 349776341 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CC(C)c1ccc(C[N@@H+](C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000263439641 383666596 /nfs/dbraw/zinc/66/65/96/383666596.db2.gz VWJMIDKPKKPMJI-UHFFFAOYSA-N 0 1 280.324 2.625 20 5 CFBDMN CCCc1nnc(SCc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000436475346 383821490 /nfs/dbraw/zinc/82/14/90/383821490.db2.gz OPUGFWAPYMRSCS-UHFFFAOYSA-N 0 1 295.320 2.928 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000573809881 383996123 /nfs/dbraw/zinc/99/61/23/383996123.db2.gz RXYOBAAAXMIDLC-NTZNESFSSA-N 0 1 292.335 2.759 20 5 CFBDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000574697313 384135173 /nfs/dbraw/zinc/13/51/73/384135173.db2.gz OGCGTXFXUUGBPE-AWEZNQCLSA-N 0 1 294.351 2.568 20 5 CFBDMN CCOc1ccc([C@H](C)NCCF)cc1[N+](=O)[O-] ZINC000281127957 195114112 /nfs/dbraw/zinc/11/41/12/195114112.db2.gz STRLKFSHHFHOGM-VIFPVBQESA-N 0 1 256.277 2.614 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCc2occc2C1 ZINC000339202141 285136457 /nfs/dbraw/zinc/13/64/57/285136457.db2.gz 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O=[N+]([O-])c1ccc(N2CC(N3CCCC3)C2)c(C(F)F)c1 ZINC000865937539 638667562 /nfs/dbraw/zinc/66/75/62/638667562.db2.gz VBFCTAYOKATQML-UHFFFAOYSA-N 0 1 297.305 2.817 20 5 CFBDMN CC(C)C[C@H]1CCCCN1Cn1nccc1[N+](=O)[O-] ZINC000122115966 638937263 /nfs/dbraw/zinc/93/72/63/638937263.db2.gz VWSGCOOOTZREFW-GFCCVEGCSA-N 0 1 266.345 2.649 20 5 CFBDMN CC(C)C[C@@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029222 641558780 /nfs/dbraw/zinc/55/87/80/641558780.db2.gz PDPGMCKLDNEHPW-WDEREUQCSA-N 0 1 284.331 2.792 20 5 CFBDMN C[C@H](NC[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028445 641559563 /nfs/dbraw/zinc/55/95/63/641559563.db2.gz PQCXWWMAGRSEEJ-QWRGUYRKSA-N 0 1 282.315 2.954 20 5 CFBDMN C[C@@H](N[C@@H](C)C[C@H](C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872059857 641593001 /nfs/dbraw/zinc/59/30/01/641593001.db2.gz JCOBYAWMWIRFBT-LPEHRKFASA-N 0 1 270.304 2.544 20 5 CFBDMN COC1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872059877 641593584 /nfs/dbraw/zinc/59/35/84/641593584.db2.gz 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20 5 CFBDMN CCN1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225795042 775596438 /nfs/dbraw/zinc/59/64/38/775596438.db2.gz ANRPCAGTPQVYAU-SNVBAGLBSA-N 0 1 268.288 2.597 20 5 CFBDMN CCN1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2F)C1 ZINC001226270549 775764087 /nfs/dbraw/zinc/76/40/87/775764087.db2.gz SDHIOMSDYDFQNB-NSHDSACASA-N 0 1 268.288 2.597 20 5 CFBDMN CC(C)[N@H+]1CCC[C@@H](Oc2nc(Cl)ccc2[N+](=O)[O-])C1 ZINC001226365115 775792293 /nfs/dbraw/zinc/79/22/93/775792293.db2.gz YPXHMJUJOHPJDV-SNVBAGLBSA-N 0 1 299.758 2.895 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[N@H+](C)C1 ZINC001226988690 776049970 /nfs/dbraw/zinc/04/99/70/776049970.db2.gz IGGMRCRQYBAUNL-SECBINFHSA-N 0 1 270.716 2.640 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCN(C)C1 ZINC001226988690 776049973 /nfs/dbraw/zinc/04/99/73/776049973.db2.gz IGGMRCRQYBAUNL-SECBINFHSA-N 0 1 270.716 2.640 20 5 CFBDMN O=c1[nH]c(C2CC2)nc(OC2CCCCC2)c1[N+](=O)[O-] ZINC001228603496 776537623 /nfs/dbraw/zinc/53/76/23/776537623.db2.gz KYBCRDCIZQSOKC-UHFFFAOYSA-N 0 1 279.296 2.679 20 5 CFBDMN CC[C@@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228609711 776538745 /nfs/dbraw/zinc/53/87/45/776538745.db2.gz GWZFHVHKFUDAEF-SECBINFHSA-N 0 1 281.312 2.781 20 5 CFBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[C@H](C)C2)cc1O ZINC001228813833 776621405 /nfs/dbraw/zinc/62/14/05/776621405.db2.gz GOSYQZOPXARDLT-IUCAKERBSA-N 0 1 295.291 2.654 20 5 CFBDMN CCC[C@@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001229381719 776796440 /nfs/dbraw/zinc/79/64/40/776796440.db2.gz OSGRITVJTGRIBH-SECBINFHSA-N 0 1 283.328 2.992 20 5 CFBDMN CCC(CC)[C@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382064 776796895 /nfs/dbraw/zinc/79/68/95/776796895.db2.gz PPKNUTJJONMSSP-JTQLQIEISA-N 0 1 283.328 2.992 20 5 CFBDMN Cc1cc([O-])c(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001229755688 776888572 /nfs/dbraw/zinc/88/85/72/776888572.db2.gz ZMLBQNSNADDBOF-GFCCVEGCSA-N 0 1 294.351 2.860 20 5 CFBDMN CCN1CCC[C@@H](Oc2ccc([N+](=O)[O-])nc2Cl)C1 ZINC001229916876 776917981 /nfs/dbraw/zinc/91/79/81/776917981.db2.gz DJAQTCAEYZIAKH-SECBINFHSA-N 0 1 285.731 2.506 20 5 CFBDMN Cc1cc(O[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1Cl ZINC001229979283 776931504 /nfs/dbraw/zinc/93/15/04/776931504.db2.gz RKVURNVYIKHZHY-SECBINFHSA-N 0 1 270.716 2.640 20 5 CFBDMN C[C@H](Oc1nc[nH]c(=O)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001230019153 776941526 /nfs/dbraw/zinc/94/15/26/776941526.db2.gz YIEFODWMAYKTDI-ZETCQYMHSA-N 0 1 295.682 2.884 20 5 CFBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001230601545 777022677 /nfs/dbraw/zinc/02/26/77/777022677.db2.gz OAXHXDFGQOKQLE-IGJMFERPSA-N 0 1 271.276 2.815 20 5 CFBDMN C[C@@H](Oc1n[nH]c(=O)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001233590527 778001651 /nfs/dbraw/zinc/00/16/51/778001651.db2.gz PZPMULSXYWGZHZ-SSDOTTSWSA-N 0 1 295.682 2.884 20 5 CFBDMN Cc1nc(O[C@@H](C)CCCC(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382650 778301826 /nfs/dbraw/zinc/30/18/26/778301826.db2.gz WLLVIONSUUHFKN-VIFPVBQESA-N 0 1 283.328 2.992 20 5 CFBDMN CCCCN(CCCC)Cn1nccc1[N+](=O)[O-] ZINC000123548125 780540185 /nfs/dbraw/zinc/54/01/85/780540185.db2.gz NGOZPDCCCJOYLF-UHFFFAOYSA-N 0 1 254.334 2.651 20 5 CFBDMN CCC(C)(C)N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000594594703 349455174 /nfs/dbraw/zinc/45/51/74/349455174.db2.gz PXYGXMRPLXXXJR-UHFFFAOYSA-N 0 1 283.397 2.967 20 5 CFBDMN C[C@@H](NCc1cnn2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594925137 349511438 /nfs/dbraw/zinc/51/14/38/349511438.db2.gz LEOZGSUZNFZVLO-LLVKDONJSA-N 0 1 286.335 2.588 20 5 CFBDMN C[C@@H]1CN(CCCNc2ccsc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000067911503 346827567 /nfs/dbraw/zinc/82/75/67/346827567.db2.gz INHHYKFIXLCKNH-GHMZBOCLSA-N 0 1 299.396 2.568 20 5 CFBDMN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000595335997 349604611 /nfs/dbraw/zinc/60/46/11/349604611.db2.gz VVEYIDAYUWDNTL-UWVGGRQHSA-N 0 1 252.289 2.822 20 5 CFBDMN Cc1noc(CN2C[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595324211 349602016 /nfs/dbraw/zinc/60/20/16/349602016.db2.gz CCMZPSZXWBYZFL-ZJUUUORDSA-N 0 1 267.329 2.902 20 5 CFBDMN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595328374 349602174 /nfs/dbraw/zinc/60/21/74/349602174.db2.gz ITDDPXQKHICNAL-ZFWWWQNUSA-N 0 1 296.342 2.859 20 5 CFBDMN CC[C@H](O)[C@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595328372 349602383 /nfs/dbraw/zinc/60/23/83/349602383.db2.gz ITDDPXQKHICNAL-HIFRSBDPSA-N 0 1 296.342 2.859 20 5 CFBDMN Cc1noc(CN2C[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000595323907 349602535 /nfs/dbraw/zinc/60/25/35/349602535.db2.gz CCMZPSZXWBYZFL-NXEZZACHSA-N 0 1 267.329 2.902 20 5 CFBDMN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595335996 349604071 /nfs/dbraw/zinc/60/40/71/349604071.db2.gz VVEYIDAYUWDNTL-NXEZZACHSA-N 0 1 252.289 2.822 20 5 CFBDMN CC[C@@H]1CC[C@H](C)N1Cc1onc(C)c1[N+](=O)[O-] ZINC000595413358 349618693 /nfs/dbraw/zinc/61/86/93/349618693.db2.gz ZOHIYKZPWYEKTI-WCBMZHEXSA-N 0 1 253.302 2.654 20 5 CFBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000068658662 346862825 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O=[N+]([O-])c1cc(F)ccc1CN1CCCC[C@@H]1C1(O)CC1 ZINC000595529117 349652368 /nfs/dbraw/zinc/65/23/68/349652368.db2.gz HNHWGFWVBQKQQC-CQSZACIVSA-N 0 1 294.326 2.613 20 5 CFBDMN C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1CCO ZINC000595703510 349710415 /nfs/dbraw/zinc/71/04/15/349710415.db2.gz SXSHECXXOZKTHR-XHDPSFHLSA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]1(C)CO ZINC000595880776 349761143 /nfs/dbraw/zinc/76/11/43/349761143.db2.gz ZEKPIAAKMARTNX-IINYFYTJSA-N 0 1 298.770 2.699 20 5 CFBDMN Cc1cc(NCc2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000295041320 199315973 /nfs/dbraw/zinc/31/59/73/199315973.db2.gz WTKPVXOPKIOHHN-UHFFFAOYSA-N 0 1 275.312 2.757 20 5 CFBDMN O=C(Nc1cccc([N+](=O)[O-])c1)c1c(O)cccc1F ZINC000163564129 232258262 /nfs/dbraw/zinc/25/82/62/232258262.db2.gz KDRNXAMQIYEFMN-UHFFFAOYSA-N 0 1 276.223 2.692 20 5 CFBDMN Cc1c(NC(=O)CN2[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000173610625 232278618 /nfs/dbraw/zinc/27/86/18/232278618.db2.gz WNTWFCWSNSUFSB-GHMZBOCLSA-N 0 1 291.351 2.715 20 5 CFBDMN CCCN(CCC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000046305110 346424711 /nfs/dbraw/zinc/42/47/11/346424711.db2.gz JBTHCDHTAGGZQR-UHFFFAOYSA-N 0 1 290.323 2.733 20 5 CFBDMN CCC1(O)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000075859262 347103206 /nfs/dbraw/zinc/10/32/06/347103206.db2.gz MSCVFICSFSWFCF-LBPRGKRZSA-N 0 1 278.352 2.893 20 5 CFBDMN CCO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000076404423 347136616 /nfs/dbraw/zinc/13/66/16/347136616.db2.gz FSTAGPONJBWXNA-CQSZACIVSA-N 0 1 264.325 2.596 20 5 CFBDMN O=C([O-])CCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000086755679 347488252 /nfs/dbraw/zinc/48/82/52/347488252.db2.gz WZDWMOYVIQAHKC-UHFFFAOYSA-N 0 1 298.364 2.733 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000086757593 347489150 /nfs/dbraw/zinc/48/91/50/347489150.db2.gz SQMLTGWGOFAYLE-NWDGAFQWSA-N 0 1 292.335 2.843 20 5 CFBDMN C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC000091859223 347601199 /nfs/dbraw/zinc/60/11/99/347601199.db2.gz LEZNYYTZHDZJGR-NXEZZACHSA-N 0 1 250.298 2.531 20 5 CFBDMN C[C@H](O)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092969463 347656027 /nfs/dbraw/zinc/65/60/27/347656027.db2.gz LEJZFNIDNBNGFM-BPJJOFIESA-N 0 1 290.363 2.701 20 5 CFBDMN COC1CCC([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000093414816 347672910 /nfs/dbraw/zinc/67/29/10/347672910.db2.gz XAZZZTSYZMEDIN-UHFFFAOYSA-N 0 1 294.351 2.690 20 5 CFBDMN C[C@@H](c1nc([C@@H]2CCCN2)no1)c1cccc([N+](=O)[O-])c1 ZINC000592356866 349107964 /nfs/dbraw/zinc/10/79/64/349107964.db2.gz IWRKAVNXFLTCIC-SKDRFNHKSA-N 0 1 288.307 2.554 20 5 CFBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCCC[C@H]2C)c1 ZINC000592995936 349182800 /nfs/dbraw/zinc/18/28/00/349182800.db2.gz JKWIIFSPXXFCEP-LLVKDONJSA-N 0 1 292.335 2.756 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N(C)CCC(C)(C)C)c1[N+](=O)[O-] ZINC000592836375 349169904 /nfs/dbraw/zinc/16/99/04/349169904.db2.gz OIIFVNQSZYEQRC-UHFFFAOYSA-N 0 1 296.371 2.950 20 5 CFBDMN COc1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593117127 349213461 /nfs/dbraw/zinc/21/34/61/349213461.db2.gz PARXLLXCVFTVHE-CYBMUJFWSA-N 0 1 298.289 2.835 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000593119538 349215623 /nfs/dbraw/zinc/21/56/23/349215623.db2.gz ZLPZRLOGBRMPCX-ZDUSSCGKSA-N 0 1 298.289 2.835 20 5 CFBDMN CC[C@@H](C)C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736329 349317010 /nfs/dbraw/zinc/31/70/10/349317010.db2.gz CNGNMOQDUJAMGK-SNVBAGLBSA-N 0 1 280.324 2.771 20 5 CFBDMN C[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000593737916 349317147 /nfs/dbraw/zinc/31/71/47/349317147.db2.gz ZQPXSFILPVRJCT-WDEREUQCSA-N 0 1 292.335 2.771 20 5 CFBDMN CC[C@H]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000091929710 180288268 /nfs/dbraw/zinc/28/82/68/180288268.db2.gz NHYVKYZZIDHOEY-NSHDSACASA-N 0 1 294.351 2.844 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc[nH]c1=O ZINC000599083862 350373622 /nfs/dbraw/zinc/37/36/22/350373622.db2.gz NBXMBIKXTCUAPK-LLVKDONJSA-N 0 1 287.319 2.855 20 5 CFBDMN Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092326148 180362721 /nfs/dbraw/zinc/36/27/21/180362721.db2.gz IZJYLHQJVKOSHJ-JTQLQIEISA-N 0 1 288.351 2.796 20 5 CFBDMN Cc1nn(C)c(C)c1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000092326149 180363114 /nfs/dbraw/zinc/36/31/14/180363114.db2.gz IZJYLHQJVKOSHJ-SNVBAGLBSA-N 0 1 288.351 2.796 20 5 CFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599551772 350454609 /nfs/dbraw/zinc/45/46/09/350454609.db2.gz BCPAJUMYBLLYKQ-UHFFFAOYSA-N 0 1 286.278 2.922 20 5 CFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599551772 350454613 /nfs/dbraw/zinc/45/46/13/350454613.db2.gz BCPAJUMYBLLYKQ-UHFFFAOYSA-N 0 1 286.278 2.922 20 5 CFBDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000599627798 350467216 /nfs/dbraw/zinc/46/72/16/350467216.db2.gz ZHWGYKSPFPTMQI-PUXPGTEJSA-N 0 1 282.315 2.635 20 5 CFBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@H]1CCCO ZINC000107904923 186197585 /nfs/dbraw/zinc/19/75/85/186197585.db2.gz IOUIMSBDEAZJMC-NSHDSACASA-N 0 1 298.770 2.985 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCC(n3ccnc3)CC2)c1 ZINC000109794645 186272060 /nfs/dbraw/zinc/27/20/60/186272060.db2.gz SEEROGHVNUQIEE-UHFFFAOYSA-N 0 1 286.335 2.628 20 5 CFBDMN O=[N+]([O-])c1ccsc1Nc1cnn2c1CCCC2 ZINC000601233194 350705427 /nfs/dbraw/zinc/70/54/27/350705427.db2.gz ZFQDQEVGEWZHSJ-UHFFFAOYSA-N 0 1 264.310 2.933 20 5 CFBDMN C[C@H](N[C@@H]1CCCn2nccc21)c1ccc([N+](=O)[O-])cc1 ZINC000601320363 350723722 /nfs/dbraw/zinc/72/37/22/350723722.db2.gz FWIKIWCAMGSNJD-SMDDNHRTSA-N 0 1 286.335 2.977 20 5 CFBDMN C[C@@H]1CCC2=NN(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000601931280 350805392 /nfs/dbraw/zinc/80/53/92/350805392.db2.gz HIUDXPBUONTKLE-BXKDBHETSA-N 0 1 273.292 2.734 20 5 CFBDMN C[C@@H]1CCc2[nH]n(-c3cccc([N+](=O)[O-])c3)c(=O)c2C1 ZINC000601931280 350805395 /nfs/dbraw/zinc/80/53/95/350805395.db2.gz HIUDXPBUONTKLE-BXKDBHETSA-N 0 1 273.292 2.734 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c2c(c1=O)[C@H](C)CC2 ZINC000601934739 350807849 /nfs/dbraw/zinc/80/78/49/350807849.db2.gz DTMFQCFUOJRKPA-RNCFNFMXSA-N 0 1 273.292 2.652 20 5 CFBDMN C[C@@H]1CCc2c(=O)n(-c3ccc([N+](=O)[O-])cc3Cl)[nH]c21 ZINC000601937076 350809213 /nfs/dbraw/zinc/80/92/13/350809213.db2.gz BNDPQOWVKJVEAB-APPZFPTMSA-N 0 1 293.710 2.997 20 5 CFBDMN C[C@H]1CCc2c(=O)n(-c3ccc([N+](=O)[O-])cc3Cl)[nH]c21 ZINC000601937077 350809227 /nfs/dbraw/zinc/80/92/27/350809227.db2.gz BNDPQOWVKJVEAB-CBAPKCEASA-N 0 1 293.710 2.997 20 5 CFBDMN CCOCC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602676091 350973019 /nfs/dbraw/zinc/97/30/19/350973019.db2.gz QTQVRSMADNSIEC-UHFFFAOYSA-N 0 1 293.323 2.641 20 5 CFBDMN O=[N+]([O-])c1ccc(CCN2CCC[C@H](F)C2)cc1 ZINC000602708871 350991907 /nfs/dbraw/zinc/99/19/07/350991907.db2.gz YWHDASHCHVZDCI-LBPRGKRZSA-N 0 1 252.289 2.571 20 5 CFBDMN C/C=C/C[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602915307 351064513 /nfs/dbraw/zinc/06/45/13/351064513.db2.gz AHYCHUUIHPFDCH-XGACYXMMSA-N 0 1 292.383 2.778 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CC[C@H](O)[C@H]3CCCC[C@@H]32)cs1 ZINC000602997856 351088169 /nfs/dbraw/zinc/08/81/69/351088169.db2.gz SCGDVRNSMZTUQT-AVGNSLFASA-N 0 1 296.392 2.782 20 5 CFBDMN CCN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609147417 351488556 /nfs/dbraw/zinc/48/85/56/351488556.db2.gz BSSGHKQXNDQYAC-LLVKDONJSA-N 0 1 282.315 2.592 20 5 CFBDMN CC1(C)[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000610582593 351583923 /nfs/dbraw/zinc/58/39/23/351583923.db2.gz BZJGCSZKOYTSRK-PHIMTYICSA-N 0 1 287.319 2.824 20 5 CFBDMN Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000610821200 351612642 /nfs/dbraw/zinc/61/26/42/351612642.db2.gz ZQAJHVNWBNBKSY-NSHDSACASA-N 0 1 274.324 2.786 20 5 CFBDMN Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000610821200 351612643 /nfs/dbraw/zinc/61/26/43/351612643.db2.gz ZQAJHVNWBNBKSY-NSHDSACASA-N 0 1 274.324 2.786 20 5 CFBDMN CC1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)CO1 ZINC000611272197 351662288 /nfs/dbraw/zinc/66/22/88/351662288.db2.gz HHLSFNAPYYRVMH-UHFFFAOYSA-N 0 1 294.351 2.690 20 5 CFBDMN C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501456 351698430 /nfs/dbraw/zinc/69/84/30/351698430.db2.gz CCPGITXMDUEHII-FZMZJTMJSA-N 0 1 266.316 2.817 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCCOC[C@H]1C ZINC000612578537 351837687 /nfs/dbraw/zinc/83/76/87/351837687.db2.gz RHDOQRNDOCPAIU-GFCCVEGCSA-N 0 1 264.325 2.514 20 5 CFBDMN CCOc1cccc(N2CCN(CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000613048379 351894576 /nfs/dbraw/zinc/89/45/76/351894576.db2.gz ADFGGHISUYQWIL-GFCCVEGCSA-N 0 1 293.367 2.524 20 5 CFBDMN Cc1n[nH]cc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000616357151 352334000 /nfs/dbraw/zinc/33/40/00/352334000.db2.gz WGABYDMVFRCOIU-SNVBAGLBSA-N 0 1 274.324 2.786 20 5 CFBDMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000271534311 191197909 /nfs/dbraw/zinc/19/79/09/191197909.db2.gz QBXYOACUHPDPHS-KWQFWETISA-N 0 1 292.257 2.559 20 5 CFBDMN C[C@H](NC[C@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271590481 191229980 /nfs/dbraw/zinc/22/99/80/191229980.db2.gz YGVORSXREIBSED-KWQFWETISA-N 0 1 292.257 2.559 20 5 CFBDMN CCCCN(CCCO)Cc1csc([N+](=O)[O-])c1 ZINC000271670664 191268705 /nfs/dbraw/zinc/26/87/05/191268705.db2.gz AVCTVNYYAYYPIF-UHFFFAOYSA-N 0 1 272.370 2.641 20 5 CFBDMN CC1(C)OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000294515273 199068986 /nfs/dbraw/zinc/06/89/86/199068986.db2.gz YYQMIOSMHCSKQK-GFCCVEGCSA-N 0 1 284.743 2.905 20 5 CFBDMN CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000180101668 189237361 /nfs/dbraw/zinc/23/73/61/189237361.db2.gz ZNWYGNPYQZEDSA-UHFFFAOYSA-N 0 1 280.324 2.596 20 5 CFBDMN Cc1c(Nc2ncc([N+](=O)[O-])cn2)cnn1CCC(C)C ZINC000302221776 201407006 /nfs/dbraw/zinc/40/70/06/201407006.db2.gz MNJVEDHEWVWPEW-UHFFFAOYSA-N 0 1 290.327 2.679 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000263563626 383681346 /nfs/dbraw/zinc/68/13/46/383681346.db2.gz DLNLGTSRLTWPKD-NEPJUHHUSA-N 0 1 292.335 2.761 20 5 CFBDMN CCn1cc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000449678394 242105319 /nfs/dbraw/zinc/10/53/19/242105319.db2.gz PKSOTPSTKUUVOA-GFCCVEGCSA-N 0 1 288.351 2.970 20 5 CFBDMN COC[C@@H]1CCCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449756408 242139327 /nfs/dbraw/zinc/13/93/27/242139327.db2.gz BATKRUHIYIVWNF-ZDUSSCGKSA-N 0 1 294.351 2.604 20 5 CFBDMN COC[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449761318 242143689 /nfs/dbraw/zinc/14/36/89/242143689.db2.gz WKTVJOOVIOSAKS-CQSZACIVSA-N 0 1 264.325 2.596 20 5 CFBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000330600305 203023593 /nfs/dbraw/zinc/02/35/93/203023593.db2.gz HDRCRAGYZZHFNC-GXSJLCMTSA-N 0 1 294.355 2.667 20 5 CFBDMN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(N)=O ZINC000330592188 203011655 /nfs/dbraw/zinc/01/16/55/203011655.db2.gz ZVIYKAJGSWXQGL-LDYMZIIASA-N 0 1 297.742 2.851 20 5 CFBDMN CCOC[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000459670898 245267142 /nfs/dbraw/zinc/26/71/42/245267142.db2.gz FRVRLJAOAZHOQH-HNNXBMFYSA-N 0 1 278.352 2.986 20 5 CFBDMN C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459749277 245303474 /nfs/dbraw/zinc/30/34/74/245303474.db2.gz KJSFVYWQCIZBRH-HWPRWLFBSA-N 0 1 286.335 2.692 20 5 CFBDMN CCCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000025509854 372300630 /nfs/dbraw/zinc/30/06/30/372300630.db2.gz GMDIQJGFIHVRNI-GFCCVEGCSA-N 0 1 293.367 2.962 20 5 CFBDMN CC(C)[N@@H+](CCCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000037596555 372671163 /nfs/dbraw/zinc/67/11/63/372671163.db2.gz GECFKXUGGOQSIC-UHFFFAOYSA-N 0 1 280.324 2.670 20 5 CFBDMN Cc1ncc(CNCc2ccc([N+](=O)[O-])cc2)s1 ZINC000037797627 372711397 /nfs/dbraw/zinc/71/13/97/372711397.db2.gz STBHFEJEMKZIGL-UHFFFAOYSA-N 0 1 263.322 2.650 20 5 CFBDMN CC[C@@H](NCc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000038011202 372763329 /nfs/dbraw/zinc/76/33/29/372763329.db2.gz NHMKLASNCUXTSN-CQSZACIVSA-N 0 1 274.324 2.867 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc(C2(N)CCCC2)no1 ZINC000041152830 372822581 /nfs/dbraw/zinc/82/25/81/372822581.db2.gz FZSXNPKBACSSMG-UHFFFAOYSA-N 0 1 288.307 2.681 20 5 CFBDMN COc1ccc(CN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000051227623 373388651 /nfs/dbraw/zinc/38/86/51/373388651.db2.gz VGXFGAAFNBSTGV-NSHDSACASA-N 0 1 264.325 2.978 20 5 CFBDMN COc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000057395252 373592149 /nfs/dbraw/zinc/59/21/49/373592149.db2.gz NJDIOADUUJXACC-UHFFFAOYSA-N 0 1 287.319 2.597 20 5 CFBDMN C[C@H](N[C@@H](CO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000062999797 373778367 /nfs/dbraw/zinc/77/83/67/373778367.db2.gz HZAIHDPPNZLUKH-LRDDRELGSA-N 0 1 286.331 2.979 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC1(C)C ZINC000489496471 245960785 /nfs/dbraw/zinc/96/07/85/245960785.db2.gz FDKFTYIHSBDRTR-ZDUSSCGKSA-N 0 1 264.325 2.834 20 5 CFBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072874962 374298075 /nfs/dbraw/zinc/29/80/75/374298075.db2.gz RKIFOORPZXFPHG-JQWIXIFHSA-N 0 1 291.351 2.715 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCCSCC2)c1 ZINC000089981240 374980006 /nfs/dbraw/zinc/98/00/06/374980006.db2.gz QTFJUFZTSUKVJD-UHFFFAOYSA-N 0 1 252.339 2.534 20 5 CFBDMN Cc1[nH]ncc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130362039 377545026 /nfs/dbraw/zinc/54/50/26/377545026.db2.gz FKOABVPGABWLRF-UHFFFAOYSA-N 0 1 283.291 2.787 20 5 CFBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H](C)C1CCCCC1 ZINC000131235807 377679289 /nfs/dbraw/zinc/67/92/89/377679289.db2.gz SLAILDBKPOWGHO-ZJUUUORDSA-N 0 1 294.355 2.653 20 5 CFBDMN COCC(C)(C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000136471656 378200172 /nfs/dbraw/zinc/20/01/72/378200172.db2.gz CHESTTRAXJXTRD-UHFFFAOYSA-N 0 1 272.732 2.763 20 5 CFBDMN CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000136606320 378204375 /nfs/dbraw/zinc/20/43/75/378204375.db2.gz AUIVSKMQOKFYRT-GARJFASQSA-N 0 1 294.355 2.509 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)C(C)C ZINC000150886967 378278509 /nfs/dbraw/zinc/27/85/09/378278509.db2.gz AXNYYMNKIKAOEF-UHFFFAOYSA-N 0 1 252.314 2.834 20 5 CFBDMN C[C@H](CCC1CCCCC1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159665707 378722621 /nfs/dbraw/zinc/72/26/21/378722621.db2.gz YGOWTEYWPKBKQW-SNVBAGLBSA-N 0 1 294.355 2.797 20 5 CFBDMN CCCc1[nH]nc(C(=O)N2CC[C@](C)(CC)C2)c1[N+](=O)[O-] ZINC000332680708 378787838 /nfs/dbraw/zinc/78/78/38/378787838.db2.gz STOOOIWPNRHVST-AWEZNQCLSA-N 0 1 294.355 2.533 20 5 CFBDMN C[C@@H]1CC(C)(C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000412765294 296283993 /nfs/dbraw/zinc/28/39/93/296283993.db2.gz AOPQMPSOSZNJCK-SECBINFHSA-N 0 1 278.308 2.561 20 5 CFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1(O)CCCC1 ZINC000173186956 379708025 /nfs/dbraw/zinc/70/80/25/379708025.db2.gz ANQBGTDBBPBRGY-UHFFFAOYSA-N 0 1 298.770 2.985 20 5 CFBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000177986568 380399945 /nfs/dbraw/zinc/39/99/45/380399945.db2.gz JQKJOKMGTXOKLY-IAQYHMDHSA-N 0 1 294.326 2.735 20 5 CFBDMN CC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336785658 380630528 /nfs/dbraw/zinc/63/05/28/380630528.db2.gz AGAQYMPEKHNPGQ-UHFFFAOYSA-N 0 1 252.289 2.966 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1NCCN1CCCCC1 ZINC000336810740 380670287 /nfs/dbraw/zinc/67/02/87/380670287.db2.gz JCQMMWXYPWTJGP-UHFFFAOYSA-N 0 1 267.304 2.632 20 5 CFBDMN Cc1nccc(NCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000336813608 380675317 /nfs/dbraw/zinc/67/53/17/380675317.db2.gz CUKDFPYGQYJDQB-UHFFFAOYSA-N 0 1 277.711 2.986 20 5 CFBDMN CCC(C)(C)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180442857 380660914 /nfs/dbraw/zinc/66/09/14/380660914.db2.gz GUSCSQSRLMQZRR-NSHDSACASA-N 0 1 293.367 2.550 20 5 CFBDMN CO[C@@]1(C)CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000279257528 194355658 /nfs/dbraw/zinc/35/56/58/194355658.db2.gz HSJTVDXBCVYSTE-AWEZNQCLSA-N 0 1 264.325 2.596 20 5 CFBDMN CN(C(=O)c1ccc2cncn2c1)c1cccc([N+](=O)[O-])c1 ZINC000341419406 381006061 /nfs/dbraw/zinc/00/60/61/381006061.db2.gz IKYOHFWJKVTTCU-UHFFFAOYSA-N 0 1 296.286 2.519 20 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CFBDMN COc1ccc(CN[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000035693397 172362485 /nfs/dbraw/zinc/36/24/85/172362485.db2.gz KXNCWWAAMVTIRY-LLVKDONJSA-N 0 1 287.319 2.849 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CNCc1cccs1 ZINC000037467107 173226865 /nfs/dbraw/zinc/22/68/65/173226865.db2.gz VRGXVSZSUPBHAJ-UHFFFAOYSA-N 0 1 278.333 2.955 20 5 CFBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044428300 175175827 /nfs/dbraw/zinc/17/58/27/175175827.db2.gz VSOUUKDJXWWQQZ-LBPRGKRZSA-N 0 1 292.335 2.672 20 5 CFBDMN Cc1nc([C@@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000286395267 196590261 /nfs/dbraw/zinc/59/02/61/196590261.db2.gz MUKWFWGJIHUUBF-ZCFIWIBFSA-N 0 1 281.703 2.848 20 5 CFBDMN CC[C@H](NCc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000071333159 176126053 /nfs/dbraw/zinc/12/60/53/176126053.db2.gz ASSMKOMOIZUCRK-AWEZNQCLSA-N 0 1 274.324 2.569 20 5 CFBDMN CO[C@@H](CNCc1csc([N+](=O)[O-])c1)CC(C)C ZINC000418097060 228034265 /nfs/dbraw/zinc/03/42/65/228034265.db2.gz 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CCN(CC(C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269356712 279063535 /nfs/dbraw/zinc/06/35/35/279063535.db2.gz IALGKCFMZNRLME-UHFFFAOYSA-N 0 1 282.344 2.559 20 5 CFBDMN CC[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000249749241 281065787 /nfs/dbraw/zinc/06/57/87/281065787.db2.gz FVYWDQNEVWPZEM-QJPTWQEYSA-N 0 1 293.367 2.549 20 5 CFBDMN COc1cncc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296740941 281144473 /nfs/dbraw/zinc/14/44/73/281144473.db2.gz OUPKXRVZCAVJGE-NSHDSACASA-N 0 1 287.319 2.849 20 5 CFBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000515496267 281294757 /nfs/dbraw/zinc/29/47/57/281294757.db2.gz MLXJTXZBKXCVLA-UHFFFAOYSA-N 0 1 290.323 2.732 20 5 CFBDMN Cc1c(CNC(C)(C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000546000527 281701332 /nfs/dbraw/zinc/70/13/32/281701332.db2.gz ILIBLVGJUKURIT-UHFFFAOYSA-N 0 1 288.351 2.662 20 5 CFBDMN CC(C)(O)C(C)(C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000230936660 519337149 /nfs/dbraw/zinc/33/71/49/519337149.db2.gz 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C[C@H]1CCc2[nH]n(-c3ccc([N+](=O)[O-])cc3F)c(=O)c2C1 ZINC000601943480 350811743 /nfs/dbraw/zinc/81/17/43/350811743.db2.gz QRHAHMVVXFHYEF-WCBMZHEXSA-N 0 1 291.282 2.873 20 5 CFBDMN C[C@@H](O)C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111287976 186391057 /nfs/dbraw/zinc/39/10/57/186391057.db2.gz UUXUAOPJAITXOD-NWDGAFQWSA-N 0 1 278.352 2.749 20 5 CFBDMN C[C@H](CN(C)Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602456623 350889379 /nfs/dbraw/zinc/88/93/79/350889379.db2.gz BDSAYEPIEINKKR-GFCCVEGCSA-N 0 1 288.351 2.564 20 5 CFBDMN CN(Cc1cn(C)nc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000602471456 350894874 /nfs/dbraw/zinc/89/48/74/350894874.db2.gz CYXRBWOWMNIVAC-UHFFFAOYSA-N 0 1 280.372 2.729 20 5 CFBDMN O=[N+]([O-])c1ccc(CCN2CC(CC(F)F)C2)cc1 ZINC000602693807 350982808 /nfs/dbraw/zinc/98/28/08/350982808.db2.gz VKNPGKZUVFWUCW-UHFFFAOYSA-N 0 1 270.279 2.724 20 5 CFBDMN O=[N+]([O-])c1ccc2oc(CN[C@@]34C[C@@H]3CCC4)nc2c1 ZINC000602708123 350991856 /nfs/dbraw/zinc/99/18/56/350991856.db2.gz 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/nfs/dbraw/zinc/65/79/97/351657997.db2.gz QLFWYKBXRIGQRN-UHFFFAOYSA-N 0 1 252.314 2.778 20 5 CFBDMN C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1C ZINC000611285454 351664535 /nfs/dbraw/zinc/66/45/35/351664535.db2.gz FAOZMAJUZLJTAH-GHMZBOCLSA-N 0 1 292.335 2.596 20 5 CFBDMN CCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000271444005 191140911 /nfs/dbraw/zinc/14/09/11/191140911.db2.gz XUUQXDXMHQXECA-VIFPVBQESA-N 0 1 275.312 2.757 20 5 CFBDMN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000611617350 351715237 /nfs/dbraw/zinc/71/52/37/351715237.db2.gz YUQBYJDTCUGTEK-RYUDHWBXSA-N 0 1 290.367 2.644 20 5 CFBDMN COc1ccc(CN2CCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000122925216 187059677 /nfs/dbraw/zinc/05/96/77/187059677.db2.gz BZPBSKLJKMNUNW-UHFFFAOYSA-N 0 1 276.336 2.979 20 5 CFBDMN Cc1ccc(CN2CC(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000619726611 353060775 /nfs/dbraw/zinc/06/07/75/353060775.db2.gz PBKJMCKYDGHOJH-UHFFFAOYSA-N 0 1 290.363 2.762 20 5 CFBDMN C[C@@H]1C[C@@H](C)CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000007049199 539988573 /nfs/dbraw/zinc/98/85/73/539988573.db2.gz HBTBRDFFNWXQKY-GHMZBOCLSA-N 0 1 288.351 2.949 20 5 CFBDMN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000263582465 283115775 /nfs/dbraw/zinc/11/57/75/283115775.db2.gz YRSZYFAXHHTABT-LLVKDONJSA-N 0 1 280.324 2.761 20 5 CFBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC3(C2)CCCCC3)c1 ZINC000273740380 192286226 /nfs/dbraw/zinc/28/62/26/192286226.db2.gz VJYQADYEKVQVSG-OAHLLOKOSA-N 0 1 290.363 2.894 20 5 CFBDMN CCCN(CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000274299973 192523115 /nfs/dbraw/zinc/52/31/15/192523115.db2.gz TUERYFHDGMCZLP-UHFFFAOYSA-N 0 1 270.304 2.974 20 5 CFBDMN CCC1(CC)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000294446143 199042097 /nfs/dbraw/zinc/04/20/97/199042097.db2.gz PPZWCZIQKZWSIR-UHFFFAOYSA-N 0 1 278.308 2.563 20 5 CFBDMN Cc1nocc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000294823374 199199996 /nfs/dbraw/zinc/19/99/96/199199996.db2.gz XTSWRAXYGIFMOL-UHFFFAOYSA-N 0 1 275.308 2.566 20 5 CFBDMN Cc1ccsc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427913564 540964537 /nfs/dbraw/zinc/96/45/37/540964537.db2.gz LCPDOGRJYAUXDG-UHFFFAOYSA-N 0 1 292.316 2.600 20 5 CFBDMN Cc1c([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000183380713 189357599 /nfs/dbraw/zinc/35/75/99/189357599.db2.gz UGHYHOOGSJKEQO-LLVKDONJSA-N 0 1 288.351 2.796 20 5 CFBDMN CC1=CCN(CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000302160996 201374182 /nfs/dbraw/zinc/37/41/82/201374182.db2.gz PMWLZMXEOGHQLE-UHFFFAOYSA-N 0 1 279.315 2.798 20 5 CFBDMN CC(C)[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000444520837 241146513 /nfs/dbraw/zinc/14/65/13/241146513.db2.gz PWTVANJBSIFRSD-NSHDSACASA-N 0 1 292.335 2.809 20 5 CFBDMN CN(C[C@@H]1CC=CCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330794804 203245812 /nfs/dbraw/zinc/24/58/12/203245812.db2.gz DDCNULGXCVNHRO-LLVKDONJSA-N 0 1 290.319 2.729 20 5 CFBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](CC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000457013247 244358313 /nfs/dbraw/zinc/35/83/13/244358313.db2.gz JMZIZZPAVVZGND-JTQLQIEISA-N 0 1 294.355 2.525 20 5 CFBDMN C[C@H]1CC[C@@H](N(CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863675 203328013 /nfs/dbraw/zinc/32/80/13/203328013.db2.gz TXLOMKJWRBFWGQ-WCQYABFASA-N 0 1 296.342 2.717 20 5 CFBDMN CO[C@H]1C[C@@H](NCc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000459758302 245308057 /nfs/dbraw/zinc/30/80/57/245308057.db2.gz LNJNZQWMOKQCJL-KGLIPLIRSA-N 0 1 294.326 2.781 20 5 CFBDMN CCC[C@@H](NCc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000041159030 372821652 /nfs/dbraw/zinc/82/16/52/372821652.db2.gz OUMFZNVBFXLETQ-OAHLLOKOSA-N 0 1 288.351 2.959 20 5 CFBDMN CN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000049100002 373270803 /nfs/dbraw/zinc/27/08/03/373270803.db2.gz MJWMWXDEHFVIED-SNVBAGLBSA-N 0 1 269.732 2.754 20 5 CFBDMN C[C@@H](Cn1ccnc1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963640 373337948 /nfs/dbraw/zinc/33/79/48/373337948.db2.gz DLDDOHGYRDNLJV-JTQLQIEISA-N 0 1 294.742 2.623 20 5 CFBDMN C[C@H](C1CCCCC1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000338339967 220252363 /nfs/dbraw/zinc/25/23/63/220252363.db2.gz BRMXLZJIADMCQZ-LLVKDONJSA-N 0 1 280.372 2.729 20 5 CFBDMN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000072722121 374279167 /nfs/dbraw/zinc/27/91/67/374279167.db2.gz TWYBYKQCUVKISD-UHFFFAOYSA-N 0 1 297.742 2.671 20 5 CFBDMN CCCCN(CCO)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097698 375186103 /nfs/dbraw/zinc/18/61/03/375186103.db2.gz VJDIWQSMYCYPRM-UHFFFAOYSA-N 0 1 286.759 2.843 20 5 CFBDMN CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCCO1 ZINC000094774514 375377327 /nfs/dbraw/zinc/37/73/27/375377327.db2.gz DQQUBHGNANUMMJ-LBPRGKRZSA-N 0 1 282.315 2.735 20 5 CFBDMN COCCN(Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000507151662 247166181 /nfs/dbraw/zinc/16/61/81/247166181.db2.gz JCKSTZAXVVHSJT-UHFFFAOYSA-N 0 1 264.325 2.514 20 5 CFBDMN Cc1nn(C)c(C)c1CNCc1cccc([N+](=O)[O-])c1C ZINC000111365542 375840213 /nfs/dbraw/zinc/84/02/13/375840213.db2.gz CIBQLELREQNGPG-UHFFFAOYSA-N 0 1 288.351 2.543 20 5 CFBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCC[C@@H]1O ZINC000120766076 376685946 /nfs/dbraw/zinc/68/59/46/376685946.db2.gz BRTCBZVQDQSGOC-KGLIPLIRSA-N 0 1 298.770 2.984 20 5 CFBDMN COc1ccc(CN2CCC[C@H]2CSC)cc1[N+](=O)[O-] ZINC000135438364 378130979 /nfs/dbraw/zinc/13/09/79/378130979.db2.gz JRHWGCKUWXYOJG-LBPRGKRZSA-N 0 1 296.392 2.931 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CCN(CCc1ccncc1)C2 ZINC000153349080 378487504 /nfs/dbraw/zinc/48/75/04/378487504.db2.gz CDMUKOHINNQYTP-UHFFFAOYSA-N 0 1 283.331 2.591 20 5 CFBDMN C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000330368047 378536832 /nfs/dbraw/zinc/53/68/32/378536832.db2.gz KACUSLSIYVTRMW-KOLCDFICSA-N 0 1 295.314 2.870 20 5 CFBDMN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000330368047 378536834 /nfs/dbraw/zinc/53/68/34/378536834.db2.gz KACUSLSIYVTRMW-KOLCDFICSA-N 0 1 295.314 2.870 20 5 CFBDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000331008648 378614467 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O=[N+]([O-])c1cc(CN2CC[C@@H](O)C23CCCC3)cs1 ZINC000353996648 381008074 /nfs/dbraw/zinc/00/80/74/381008074.db2.gz PCOJYLVYKLYGEY-LLVKDONJSA-N 0 1 282.365 2.536 20 5 CFBDMN COC[C@H]1CCN1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000354056723 381050472 /nfs/dbraw/zinc/05/04/72/381050472.db2.gz MEIDVFYZCFEKMP-INDWDQIESA-N 0 1 276.336 2.719 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411935431 381062573 /nfs/dbraw/zinc/06/25/73/381062573.db2.gz HZOJHTRLZLEHTM-DOTOQJQBSA-N 0 1 298.342 2.903 20 5 CFBDMN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279335790 194389929 /nfs/dbraw/zinc/38/99/29/194389929.db2.gz PFYNQCLKXURFIT-BLLLJJGKSA-N 0 1 290.363 2.637 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC(n3cccn3)CC2)cc1 ZINC000369118013 381195843 /nfs/dbraw/zinc/19/58/43/381195843.db2.gz RAFNPAVZLZPGKT-UHFFFAOYSA-N 0 1 286.335 2.628 20 5 CFBDMN CN(CC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1F ZINC000342588091 381417888 /nfs/dbraw/zinc/41/78/88/381417888.db2.gz CERKLTAXTNOVSK-ZDUSSCGKSA-N 0 1 282.315 2.735 20 5 CFBDMN CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296712359 381516271 /nfs/dbraw/zinc/51/62/71/381516271.db2.gz MEHIOKHVESLWDE-RYUDHWBXSA-N 0 1 293.367 2.501 20 5 CFBDMN COc1cc(CN2CCCSCC2)ccc1[N+](=O)[O-] ZINC000348467280 381580144 /nfs/dbraw/zinc/58/01/44/381580144.db2.gz IDBPAABYZSVIOG-UHFFFAOYSA-N 0 1 282.365 2.542 20 5 CFBDMN CCOc1cc(NCC2=CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000342815871 381563563 /nfs/dbraw/zinc/56/35/63/381563563.db2.gz DLPXCXNSGKQSRV-UHFFFAOYSA-N 0 1 291.351 2.667 20 5 CFBDMN COc1ccc(CN2CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000342862371 381591217 /nfs/dbraw/zinc/59/12/17/381591217.db2.gz SIXDOTYIBYSEDG-GFCCVEGCSA-N 0 1 264.325 2.834 20 5 CFBDMN Cc1ccnc(Nc2cc(C3CC3)n(C)n2)c1[N+](=O)[O-] ZINC000291103208 381667931 /nfs/dbraw/zinc/66/79/31/381667931.db2.gz KSVLXHXYVFOQAO-UHFFFAOYSA-N 0 1 273.296 2.653 20 5 CFBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](C(C)(C)C)C1 ZINC000361538167 381840522 /nfs/dbraw/zinc/84/05/22/381840522.db2.gz AHQVNPHENWFNFA-NSHDSACASA-N 0 1 280.372 2.586 20 5 CFBDMN Cc1[nH]nc(C(=O)N(C)[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000299447805 381946944 /nfs/dbraw/zinc/94/69/44/381946944.db2.gz OOTPZIXVDIKUFU-QMMMGPOBSA-N 0 1 294.336 2.521 20 5 CFBDMN COCCN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293645621 382210934 /nfs/dbraw/zinc/21/09/34/382210934.db2.gz XTRLHPCPXIOHMW-UHFFFAOYSA-N 0 1 292.257 2.692 20 5 CFBDMN CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C[C@@H](C)O ZINC000352201610 382224991 /nfs/dbraw/zinc/22/49/91/382224991.db2.gz GMGTYGWAKUEUPW-GFCCVEGCSA-N 0 1 296.367 2.585 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3[nH]cnc3C2)c1 ZINC000357583541 382239507 /nfs/dbraw/zinc/23/95/07/382239507.db2.gz QOXOMBDULPXPBS-JTQLQIEISA-N 0 1 272.308 2.596 20 5 CFBDMN CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC[C@H]1C ZINC000188325279 382393665 /nfs/dbraw/zinc/39/36/65/382393665.db2.gz KEAXTPLSDLYFGI-IAQYHMDHSA-N 0 1 278.352 2.760 20 5 CFBDMN C[C@@H](N(C)Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)O ZINC000295097443 382576440 /nfs/dbraw/zinc/57/64/40/382576440.db2.gz FZLCNRWIMYNCRV-SECBINFHSA-N 0 1 286.759 2.839 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1N1CCCC[C@@H]1c1nnc[nH]1 ZINC000295028451 382563599 /nfs/dbraw/zinc/56/35/99/382563599.db2.gz VILJNRUEDJCOOK-LLVKDONJSA-N 0 1 291.286 2.584 20 5 CFBDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000295261084 382601284 /nfs/dbraw/zinc/60/12/84/382601284.db2.gz REYMZGSYUKWKOG-CYBMUJFWSA-N 0 1 296.342 2.717 20 5 CFBDMN CC1(C)C[C@H](O)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000295261084 382601288 /nfs/dbraw/zinc/60/12/88/382601288.db2.gz REYMZGSYUKWKOG-CYBMUJFWSA-N 0 1 296.342 2.717 20 5 CFBDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000295261087 382601334 /nfs/dbraw/zinc/60/13/34/382601334.db2.gz REYMZGSYUKWKOG-ZDUSSCGKSA-N 0 1 296.342 2.717 20 5 CFBDMN CC1(C)C[C@@H](O)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000295261087 382601339 /nfs/dbraw/zinc/60/13/39/382601339.db2.gz REYMZGSYUKWKOG-ZDUSSCGKSA-N 0 1 296.342 2.717 20 5 CFBDMN CC[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189617767 382630399 /nfs/dbraw/zinc/63/03/99/382630399.db2.gz WTZQTHVNIDFMPR-CQSZACIVSA-N 0 1 298.770 2.985 20 5 CFBDMN CC[C@]1(CO)CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189638841 382631546 /nfs/dbraw/zinc/63/15/46/382631546.db2.gz KTVUYHJZIWBAPV-CQSZACIVSA-N 0 1 298.770 2.985 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCSC[C@H](C)C1 ZINC000190407904 382666435 /nfs/dbraw/zinc/66/64/35/382666435.db2.gz TUUJPGQYBFOSCV-LLVKDONJSA-N 0 1 296.392 2.788 20 5 CFBDMN COc1ccc(CN2CCSC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190456180 382669031 /nfs/dbraw/zinc/66/90/31/382669031.db2.gz WOHISRQULIJSES-NSHDSACASA-N 0 1 296.392 2.788 20 5 CFBDMN CC[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193737085 382723767 /nfs/dbraw/zinc/72/37/67/382723767.db2.gz QWWQOBYJPLGEGV-SNVBAGLBSA-N 0 1 281.312 2.981 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000193967501 382731224 /nfs/dbraw/zinc/73/12/24/382731224.db2.gz ZNWMYCFDRKRCKE-QWRGUYRKSA-N 0 1 291.307 2.735 20 5 CFBDMN CC[C@H](C)c1nc([C@H](C)Nc2ncc([N+](=O)[O-])s2)n[nH]1 ZINC000336937446 382743894 /nfs/dbraw/zinc/74/38/94/382743894.db2.gz VKYYMOGEDSFQPS-BQBZGAKWSA-N 0 1 296.356 2.856 20 5 CFBDMN CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000578524750 382929304 /nfs/dbraw/zinc/92/93/04/382929304.db2.gz QEJXEXHJWWNLAL-TZMCWYRMSA-N 0 1 292.335 2.637 20 5 CFBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN1CCC1 ZINC000338281552 382974899 /nfs/dbraw/zinc/97/48/99/382974899.db2.gz NUUIFUUDWIOHGY-UHFFFAOYSA-N 0 1 289.257 2.731 20 5 CFBDMN C[C@H](CC(C)(C)C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457204546 382989543 /nfs/dbraw/zinc/98/95/43/382989543.db2.gz BUYGYOGBDGYDPZ-SECBINFHSA-N 0 1 280.324 2.855 20 5 CFBDMN CC1(C)CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2F)O1 ZINC000495179163 382967950 /nfs/dbraw/zinc/96/79/50/382967950.db2.gz YWMHBVDYJVGEGV-LBPRGKRZSA-N 0 1 282.315 2.781 20 5 CFBDMN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2[C@H]1O ZINC000245866259 383042374 /nfs/dbraw/zinc/04/23/74/383042374.db2.gz QENRXORLGOCCAA-IAGOWNOFSA-N 0 1 298.342 2.685 20 5 CFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000339060098 383135878 /nfs/dbraw/zinc/13/58/78/383135878.db2.gz SPIADOKBYACCAI-NSHDSACASA-N 0 1 262.309 2.532 20 5 CFBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000247156040 383148221 /nfs/dbraw/zinc/14/82/21/383148221.db2.gz XMLKUEXZBUIOMF-SMDDNHRTSA-N 0 1 298.770 2.841 20 5 CFBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3ccno3)C2)cc1 ZINC000569195840 383475822 /nfs/dbraw/zinc/47/58/22/383475822.db2.gz WRRNZGMFAVXGBG-CYBMUJFWSA-N 0 1 287.319 2.962 20 5 CFBDMN CCC[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341033273 383538360 /nfs/dbraw/zinc/53/83/60/383538360.db2.gz FURCRFPVHYHNSP-CYBMUJFWSA-N 0 1 288.351 2.959 20 5 CFBDMN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000573855663 384001804 /nfs/dbraw/zinc/00/18/04/384001804.db2.gz QUDRSLLELQIBLN-CYBMUJFWSA-N 0 1 280.324 2.670 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N(CC2CC2)C(C)C)c1[N+](=O)[O-] ZINC000532913407 384081908 /nfs/dbraw/zinc/08/19/08/384081908.db2.gz IGEGLCLTZPSCKX-UHFFFAOYSA-N 0 1 294.355 2.702 20 5 CFBDMN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000574697314 384135947 /nfs/dbraw/zinc/13/59/47/384135947.db2.gz OGCGTXFXUUGBPE-CQSZACIVSA-N 0 1 294.351 2.568 20 5 CFBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCc2cnccc21 ZINC000153909218 285092712 /nfs/dbraw/zinc/09/27/12/285092712.db2.gz DWTARLINABOGKY-UHFFFAOYSA-N 0 1 276.683 2.732 20 5 CFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCO[C@H](C)C1 ZINC000266780840 384237478 /nfs/dbraw/zinc/23/74/78/384237478.db2.gz ZUPXWOVHMCAFMJ-NEPJUHHUSA-N 0 1 264.325 2.767 20 5 CFBDMN COC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267026461 384282599 /nfs/dbraw/zinc/28/25/99/384282599.db2.gz LMNOYMSXHNTYHR-NSHDSACASA-N 0 1 282.315 2.592 20 5 CFBDMN CC[C@H](O)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000267063481 384291092 /nfs/dbraw/zinc/29/10/92/384291092.db2.gz UGERMZIOVZDIHQ-GJZGRUSLSA-N 0 1 296.342 2.859 20 5 CFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](C)[C@H](C)C1 ZINC000267813522 384471079 /nfs/dbraw/zinc/47/10/79/384471079.db2.gz NJDNVJGZNJZVJE-GRYCIOLGSA-N 0 1 291.351 2.510 20 5 CFBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000278207428 384499134 /nfs/dbraw/zinc/49/91/34/384499134.db2.gz JTLSOLTYSCRUJE-AOOOYVTPSA-N 0 1 279.296 2.591 20 5 CFBDMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269312119 384747195 /nfs/dbraw/zinc/74/71/95/384747195.db2.gz ZEYMDGAUZOODSU-AOOOYVTPSA-N 0 1 278.308 2.704 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000269497878 384767830 /nfs/dbraw/zinc/76/78/30/384767830.db2.gz MQHSXSSBMLOUHT-NXEZZACHSA-N 0 1 294.355 2.702 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2ccccc2C1 ZINC000429712793 285137505 /nfs/dbraw/zinc/13/75/05/285137505.db2.gz CFBDHKVUNQDHTK-UHFFFAOYSA-N 0 1 284.315 2.859 20 5 CFBDMN C[C@H](c1ccco1)N(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269633905 384813766 /nfs/dbraw/zinc/81/37/66/384813766.db2.gz GNPMHJUVHXDUTN-BXUZGUMPSA-N 0 1 290.319 2.914 20 5 CFBDMN Cc1ccc(CN(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000269693549 384840124 /nfs/dbraw/zinc/84/01/24/384840124.db2.gz JEMRWFIMAMVENC-HNNXBMFYSA-N 0 1 290.319 2.662 20 5 CFBDMN CCc1nc([C@@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)n[nH]1 ZINC000270701133 385197087 /nfs/dbraw/zinc/19/70/87/385197087.db2.gz IMDAJVKTDMSKGA-ZCFIWIBFSA-N 0 1 297.265 2.727 20 5 CFBDMN CCC1(CO)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000270945019 385278138 /nfs/dbraw/zinc/27/81/38/385278138.db2.gz WFXJBSIRFOCIHH-UHFFFAOYSA-N 0 1 278.352 2.579 20 5 CFBDMN C[C@@]1(CCCO)CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000271996990 385421818 /nfs/dbraw/zinc/42/18/18/385421818.db2.gz GLSADXXVVPSILV-ZDUSSCGKSA-N 0 1 284.381 2.783 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1c[nH]nn1 ZINC000272200355 385473081 /nfs/dbraw/zinc/47/30/81/385473081.db2.gz MJPMPOYUDOPOOU-MRVPVSSYSA-N 0 1 264.310 2.875 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCC[C@H]1O ZINC000272537179 385560471 /nfs/dbraw/zinc/56/04/71/385560471.db2.gz NDTFEWJQFVZWEU-IUODEOHRSA-N 0 1 296.342 2.717 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCC[C@@H]1O ZINC000272537174 385560760 /nfs/dbraw/zinc/56/07/60/385560760.db2.gz NDTFEWJQFVZWEU-DOMZBBRYSA-N 0 1 296.342 2.717 20 5 CFBDMN CC(C)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272584528 385569039 /nfs/dbraw/zinc/56/90/39/385569039.db2.gz USZQKTGBFXKRGH-UHFFFAOYSA-N 0 1 292.335 2.809 20 5 CFBDMN CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272714700 385594025 /nfs/dbraw/zinc/59/40/25/385594025.db2.gz YMSNXBKJNAPKIP-RNCFNFMXSA-N 0 1 278.308 2.609 20 5 CFBDMN O=C(NCCC1=CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272714715 385595603 /nfs/dbraw/zinc/59/56/03/385595603.db2.gz YNCPPWMWHTXDSB-UHFFFAOYSA-N 0 1 276.292 2.531 20 5 CFBDMN C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272626904 385578426 /nfs/dbraw/zinc/57/84/26/385578426.db2.gz VTJOTAUZKQOOTH-ZYHUDNBSSA-N 0 1 292.335 2.951 20 5 CFBDMN C[C@@H]1CCCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000274724822 385857607 /nfs/dbraw/zinc/85/76/07/385857607.db2.gz GMNIBROGRNLDKB-SNVBAGLBSA-N 0 1 278.308 2.563 20 5 CFBDMN COc1ccc(CN2CCSCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000191821532 130312186 /nfs/dbraw/zinc/31/21/86/130312186.db2.gz RDZSOTCNAPHEHZ-NSHDSACASA-N 0 1 296.392 2.931 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H]1C(F)F ZINC000342223019 130395624 /nfs/dbraw/zinc/39/56/24/130395624.db2.gz VVCKVNAPDAZYRB-GHMZBOCLSA-N 0 1 286.278 2.737 20 5 CFBDMN C[C@H](NCCC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000266794279 131778767 /nfs/dbraw/zinc/77/87/67/131778767.db2.gz QGNLACWNOHOCOT-NSHDSACASA-N 0 1 294.351 2.977 20 5 CFBDMN CCCN1CCN(c2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000184077427 393524802 /nfs/dbraw/zinc/52/48/02/393524802.db2.gz JXBNKVQTDNEXMA-UHFFFAOYSA-N 0 1 293.367 2.526 20 5 CFBDMN CCc1nnc(SCc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000042154901 393550199 /nfs/dbraw/zinc/55/01/99/393550199.db2.gz QTUVCGPSHCDWFO-UHFFFAOYSA-N 0 1 278.337 2.876 20 5 CFBDMN CCc1n[nH]c(SCc2cccc([N+](=O)[O-])c2C)n1 ZINC000042154901 393550202 /nfs/dbraw/zinc/55/02/02/393550202.db2.gz QTUVCGPSHCDWFO-UHFFFAOYSA-N 0 1 278.337 2.876 20 5 CFBDMN Cc1cc(N2C[C@H](C)N(C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000338796396 393801002 /nfs/dbraw/zinc/80/10/02/393801002.db2.gz SCVJZHZURURIGV-QWRGUYRKSA-N 0 1 281.331 2.571 20 5 CFBDMN CC1(C)CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338960358 393807501 /nfs/dbraw/zinc/80/75/01/393807501.db2.gz FTACJYACWFHMMH-UHFFFAOYSA-N 0 1 250.298 2.675 20 5 CFBDMN C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000252649247 393937787 /nfs/dbraw/zinc/93/77/87/393937787.db2.gz RWWISAYIWSOJIN-UWVGGRQHSA-N 0 1 252.289 2.964 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1CSC ZINC000430224228 393970588 /nfs/dbraw/zinc/97/05/88/393970588.db2.gz YKWRFTPQPLVQLD-ZDUSSCGKSA-N 0 1 296.392 2.931 20 5 CFBDMN CCCc1[nH]nc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000430475113 393989153 /nfs/dbraw/zinc/98/91/53/393989153.db2.gz YSWBAESLWHEMNI-NXEZZACHSA-N 0 1 294.355 2.531 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000269332186 394003961 /nfs/dbraw/zinc/00/39/61/394003961.db2.gz APESMSBSICHFNL-NXEZZACHSA-N 0 1 294.355 2.702 20 5 CFBDMN O=[N+]([O-])c1ccc(CCN2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278778124 394063695 /nfs/dbraw/zinc/06/36/95/394063695.db2.gz ZFXNWVYNRMYCKR-OAHLLOKOSA-N 0 1 286.335 2.698 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CCO)CC2)c(F)c1 ZINC000421006682 394155105 /nfs/dbraw/zinc/15/51/05/394155105.db2.gz BKNBCEBUIGPMFN-GFCCVEGCSA-N 0 1 296.342 2.718 20 5 CFBDMN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000153292459 394281442 /nfs/dbraw/zinc/28/14/42/394281442.db2.gz ZHBLDEDSDAVPNS-GWCFXTLKSA-N 0 1 298.770 2.984 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)OC ZINC000535850288 394549049 /nfs/dbraw/zinc/54/90/49/394549049.db2.gz QHZQJEPXRAHIIW-UHFFFAOYSA-N 0 1 296.367 2.850 20 5 CFBDMN CC[C@]1(C)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000356770525 155360926 /nfs/dbraw/zinc/36/09/26/155360926.db2.gz MOEKPMDXVOWKFN-CQSZACIVSA-N 0 1 278.308 2.563 20 5 CFBDMN C[C@H](C1CCC1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356794465 155371629 /nfs/dbraw/zinc/37/16/29/155371629.db2.gz WGMVWAIKFFDLHC-SECBINFHSA-N 0 1 278.308 2.561 20 5 CFBDMN Cc1ccc(NC(=O)C(C)(C)c2cnc[nH]2)cc1[N+](=O)[O-] ZINC000345639787 154228750 /nfs/dbraw/zinc/22/87/50/154228750.db2.gz LZKQKKHBEJFXEV-UHFFFAOYSA-N 0 1 288.307 2.543 20 5 CFBDMN CC[C@H](C)[C@H](CNCc1ccc([N+](=O)[O-])cc1F)OC ZINC000362977666 156134177 /nfs/dbraw/zinc/13/41/77/156134177.db2.gz SSDLMBLIBQWKCH-HZMBPMFUSA-N 0 1 284.331 2.885 20 5 CFBDMN Cc1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1[N+](=O)[O-] ZINC000376008599 157313397 /nfs/dbraw/zinc/31/33/97/157313397.db2.gz SQLPWWYRRZLMDI-UKRRQHHQSA-N 0 1 276.336 2.657 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC2(CC2)C1 ZINC000408175138 157383765 /nfs/dbraw/zinc/38/37/65/157383765.db2.gz QLFIDMRKXNJITJ-LBPRGKRZSA-N 0 1 276.336 2.768 20 5 CFBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](C(C)(C)C)CC1 ZINC000408309063 157392060 /nfs/dbraw/zinc/39/20/60/157392060.db2.gz LDILFEQVRMWBAO-GFCCVEGCSA-N 0 1 294.399 2.977 20 5 CFBDMN CCCCCN(CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000352692662 163223402 /nfs/dbraw/zinc/22/34/02/163223402.db2.gz IDXYNXNGEAEEMH-UHFFFAOYSA-N 0 1 284.331 2.718 20 5 CFBDMN CCC[C@@]1(NCc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC000352833626 163248585 /nfs/dbraw/zinc/24/85/85/163248585.db2.gz SQSDLHORKLYNMS-CQSZACIVSA-N 0 1 282.315 2.783 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CC[C@@H](COC(F)F)C2)c1 ZINC000353026315 163291070 /nfs/dbraw/zinc/29/10/70/163291070.db2.gz USJPXUDMZILEEY-LLVKDONJSA-N 0 1 286.278 2.656 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](COC(F)F)C1 ZINC000353032089 163293537 /nfs/dbraw/zinc/29/35/37/163293537.db2.gz WUVNBLLUJHOOEX-SNVBAGLBSA-N 0 1 286.278 2.656 20 5 CFBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000007378285 170280916 /nfs/dbraw/zinc/28/09/16/170280916.db2.gz JENRSFQRQQESIK-GFCCVEGCSA-N 0 1 291.351 2.798 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)c(F)c1 ZINC000284944074 196162287 /nfs/dbraw/zinc/16/22/87/196162287.db2.gz WSSWLZUPOLDUOJ-CABCVRRESA-N 0 1 294.326 2.877 20 5 CFBDMN Cc1c([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)cnn1C ZINC000035274542 172093997 /nfs/dbraw/zinc/09/39/97/172093997.db2.gz JAZKITYCGKRPIL-NSHDSACASA-N 0 1 288.351 2.796 20 5 CFBDMN Cc1nc(C)c(CNCc2cccc([N+](=O)[O-])c2)s1 ZINC000076867911 177125134 /nfs/dbraw/zinc/12/51/34/177125134.db2.gz VGVDFTFDMDVUDZ-UHFFFAOYSA-N 0 1 277.349 2.958 20 5 CFBDMN CC[C@H](C)N1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000450857812 273744253 /nfs/dbraw/zinc/74/42/53/273744253.db2.gz KKRPOLUJBPDPCJ-ZDUSSCGKSA-N 0 1 292.383 2.527 20 5 CFBDMN CCN(CC(C)(C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000291311517 279061408 /nfs/dbraw/zinc/06/14/08/279061408.db2.gz XURFBJKOHCHDLH-UHFFFAOYSA-N 0 1 296.371 2.950 20 5 CFBDMN C[C@]1(NCc2c(F)cccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000344395748 280167730 /nfs/dbraw/zinc/16/77/30/280167730.db2.gz RTQNFVIZFQNWIJ-GJZGRUSLSA-N 0 1 294.326 2.781 20 5 CFBDMN CC1(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000562364507 282078110 /nfs/dbraw/zinc/07/81/10/282078110.db2.gz FRIHLROOXOWAJQ-UHFFFAOYSA-N 0 1 275.352 2.517 20 5 CFBDMN COc1cc(CN(C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000563707339 290169086 /nfs/dbraw/zinc/16/90/86/290169086.db2.gz LXHNQBFXIIOUMM-UHFFFAOYSA-N 0 1 270.304 2.973 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2C2(O)CC2)c(F)c1 ZINC000563870191 290180339 /nfs/dbraw/zinc/18/03/39/290180339.db2.gz BTDKBURESHEBKW-CQSZACIVSA-N 0 1 294.326 2.613 20 5 CFBDMN Cc1n[nH]cc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000576655706 324643651 /nfs/dbraw/zinc/64/36/51/324643651.db2.gz AWQKKPCBSBYRDQ-LLVKDONJSA-N 0 1 274.324 2.786 20 5 CFBDMN Cc1cc(NCc2n[nH]c(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000413413167 534001101 /nfs/dbraw/zinc/00/11/01/534001101.db2.gz LZNDSEMBUHRBKS-UHFFFAOYSA-N 0 1 289.339 2.931 20 5 CFBDMN CCCN(Cc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171681988 521681751 /nfs/dbraw/zinc/68/17/51/521681751.db2.gz IGBHITMSMSCHAB-UHFFFAOYSA-N 0 1 264.325 2.978 20 5 CFBDMN Cc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000062053119 524586541 /nfs/dbraw/zinc/58/65/41/524586541.db2.gz HOFPADRGTAQBRF-UHFFFAOYSA-N 0 1 271.320 2.896 20 5 CFBDMN C[C@@H]1OCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000230152456 525597792 /nfs/dbraw/zinc/59/77/92/525597792.db2.gz SOSIBUMSVIEMDJ-ZANVPECISA-N 0 1 284.743 2.905 20 5 CFBDMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)cc([N+](=O)[O-])c1 ZINC000339398787 526055545 /nfs/dbraw/zinc/05/55/45/526055545.db2.gz XRCFUNFGEFKKHH-LBPRGKRZSA-N 0 1 290.323 2.999 20 5 CFBDMN CC(C)(C)c1nc(CNc2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000413405918 526847904 /nfs/dbraw/zinc/84/79/04/526847904.db2.gz FXTFSLGPQDDMJQ-UHFFFAOYSA-N 0 1 293.302 2.762 20 5 CFBDMN O=[N+]([O-])c1cc(CNCCOC2CCCC2)cs1 ZINC000070168408 527329727 /nfs/dbraw/zinc/32/97/27/527329727.db2.gz PLENGRQZSZETKN-UHFFFAOYSA-N 0 1 270.354 2.705 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2CCO)c(Cl)c1 ZINC000050105179 527348242 /nfs/dbraw/zinc/34/82/42/527348242.db2.gz LEJJJWFEXQRIIT-GFCCVEGCSA-N 0 1 298.770 2.985 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000230147398 527353043 /nfs/dbraw/zinc/35/30/43/527353043.db2.gz RNFTYCWKEYXJBK-KBPBESRZSA-N 0 1 296.754 2.905 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCCO[C@H]3CCC[C@H]32)c1 ZINC000360537094 527386423 /nfs/dbraw/zinc/38/64/23/527386423.db2.gz OHWHKAVXWPGLHG-CABCVRRESA-N 0 1 276.336 2.738 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000360537097 527387011 /nfs/dbraw/zinc/38/70/11/527387011.db2.gz OHWHKAVXWPGLHG-HUUCEWRRSA-N 0 1 276.336 2.738 20 5 CFBDMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000050925121 527596453 /nfs/dbraw/zinc/59/64/53/527596453.db2.gz HKXRPNDKYARSPJ-ZDUSSCGKSA-N 0 1 292.335 2.814 20 5 CFBDMN CO[C@@H]1C[C@@H](NCc2c(F)cccc2[N+](=O)[O-])C12CCC2 ZINC000459758306 536796853 /nfs/dbraw/zinc/79/68/53/536796853.db2.gz LNJNZQWMOKQCJL-ZIAGYGMSSA-N 0 1 294.326 2.781 20 5 CFBDMN Cc1cc(F)ccc1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000755131617 574141048 /nfs/dbraw/zinc/14/10/48/574141048.db2.gz DPWGTTPVOMUIDC-UHFFFAOYSA-N 0 1 264.212 2.590 20 5 CFBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]2COCC[C@H]21 ZINC000756902198 574272103 /nfs/dbraw/zinc/27/21/03/574272103.db2.gz QVYHSHYUIZPHLB-SMDDNHRTSA-N 0 1 294.326 2.735 20 5 CFBDMN C[C@@H]1C[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000740881425 574272356 /nfs/dbraw/zinc/27/23/56/574272356.db2.gz BAAXAGXFLQERFM-ZJUUUORDSA-N 0 1 252.289 2.964 20 5 CFBDMN O=C(OCC1CC2(CCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000851477420 634383301 /nfs/dbraw/zinc/38/33/01/634383301.db2.gz GJZDPVHHWRXOJA-UHFFFAOYSA-N 0 1 264.281 2.660 20 5 CFBDMN COc1c(O)ccc(CN2C[C@H](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000892069925 617937622 /nfs/dbraw/zinc/93/76/22/617937622.db2.gz QIAAATZTVDZIKY-MNOVXSKESA-N 0 1 294.351 2.929 20 5 CFBDMN CC[C@H](C)[C@@H]1CCCCN1Cn1nccc1[N+](=O)[O-] ZINC000738055861 619316596 /nfs/dbraw/zinc/31/65/96/619316596.db2.gz NQZCZUHRISYCPJ-RYUDHWBXSA-N 0 1 266.345 2.649 20 5 CFBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1F ZINC000840672919 619330132 /nfs/dbraw/zinc/33/01/32/619330132.db2.gz FVYUYIPRKGLVHS-JLLWLGSASA-N 0 1 285.246 2.624 20 5 CFBDMN Cc1nc([C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000894772978 619460329 /nfs/dbraw/zinc/46/03/29/619460329.db2.gz SVAHBVJBDDZBSC-ZETCQYMHSA-N 0 1 295.730 2.526 20 5 CFBDMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000263422951 620142529 /nfs/dbraw/zinc/14/25/29/620142529.db2.gz PMBZDVOKSSOQND-LBPRGKRZSA-N 0 1 298.726 2.687 20 5 CFBDMN C[C@@]1(NCc2cc([N+](=O)[O-])ccc2Cl)CCCOC1 ZINC000221353277 620234388 /nfs/dbraw/zinc/23/43/88/620234388.db2.gz QXJAKTQOJQARNK-CYBMUJFWSA-N 0 1 284.743 2.907 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc([C@@H](N)C(C)C)no1 ZINC000041123317 620430690 /nfs/dbraw/zinc/43/06/90/620430690.db2.gz OEYRGJFPYKKRBW-NSHDSACASA-N 0 1 276.296 2.609 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC/C=C\Cl ZINC000898430145 620463332 /nfs/dbraw/zinc/46/33/32/620463332.db2.gz VPGUQWDHDYPWMO-JNWMYZIBSA-N 0 1 252.701 2.924 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000901512452 620851798 /nfs/dbraw/zinc/85/17/98/620851798.db2.gz GPYPPXGMYHNONK-HNNXBMFYSA-N 0 1 292.335 2.508 20 5 CFBDMN C[C@@H](N[C@@H]1CCO[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903259957 621302417 /nfs/dbraw/zinc/30/24/17/621302417.db2.gz JEQJXNBOLYDNBG-BCQZVRRWSA-N 0 1 294.326 2.952 20 5 CFBDMN CCCC[C@H](C(=O)[O-])[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903962721 621481598 /nfs/dbraw/zinc/48/15/98/621481598.db2.gz KQIFUUCBVHXXPD-CQSZACIVSA-N 0 1 292.335 2.596 20 5 CFBDMN CCCC[C@@H](C(=O)[O-])[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000903962718 621481860 /nfs/dbraw/zinc/48/18/60/621481860.db2.gz KQIFUUCBVHXXPD-AWEZNQCLSA-N 0 1 292.335 2.596 20 5 CFBDMN Cc1cc(NC(=O)[C@@H]2CCCN2C(C)C)ccc1[N+](=O)[O-] ZINC000904186962 621538949 /nfs/dbraw/zinc/53/89/49/621538949.db2.gz DQRJGLPSPQOBSA-AWEZNQCLSA-N 0 1 291.351 2.715 20 5 CFBDMN COc1ccc(-c2csc(CNCC[N+](=O)[O-])c2)cc1 ZINC000905148915 621710975 /nfs/dbraw/zinc/71/09/75/621710975.db2.gz XGRDOJWZLDFJIR-UHFFFAOYSA-N 0 1 292.360 2.790 20 5 CFBDMN O=[N+]([O-])CCNC[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000905257362 621728974 /nfs/dbraw/zinc/72/89/74/621728974.db2.gz UMVQBKQXTWRDFA-CQSZACIVSA-N 0 1 298.770 2.674 20 5 CFBDMN O=C(Nc1cc(Cl)c(F)c(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840436540 622874359 /nfs/dbraw/zinc/87/43/59/622874359.db2.gz BEYZKSKHPGBPSC-SVGQVSJJSA-N 0 1 293.081 2.736 20 5 CFBDMN CC[C@H](C)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000055084626 622933152 /nfs/dbraw/zinc/93/31/52/622933152.db2.gz BFSUHFHDONUNLX-NSHDSACASA-N 0 1 281.331 2.654 20 5 CFBDMN Cc1cc(Cl)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC000840472586 623135286 /nfs/dbraw/zinc/13/52/86/623135286.db2.gz MYPYIDAMJXLTGG-LDYMZIIASA-N 0 1 268.700 2.561 20 5 CFBDMN CC(C)CON=c1[nH]c2c(cc1[N+](=O)[O-])CCCC2 ZINC000825886792 623765735 /nfs/dbraw/zinc/76/57/35/623765735.db2.gz ZWCWVRNUPNLXLS-UHFFFAOYSA-N 0 1 265.313 2.868 20 5 CFBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@]1(C)CO ZINC000827698725 624069410 /nfs/dbraw/zinc/06/94/10/624069410.db2.gz BNCCJTOSGRBCDT-HZMBPMFUSA-N 0 1 298.770 2.699 20 5 CFBDMN CN(CC[C@@H]1COC(C)(C)O1)Cc1ccccc1[N+](=O)[O-] ZINC000851714895 634484258 /nfs/dbraw/zinc/48/42/58/634484258.db2.gz JMVZISDOKGJDDB-CYBMUJFWSA-N 0 1 294.351 2.568 20 5 CFBDMN C[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000838386818 626494904 /nfs/dbraw/zinc/49/49/04/626494904.db2.gz QVZUDWQKPGGSAA-VIFPVBQESA-N 0 1 279.292 2.780 20 5 CFBDMN C[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000838386815 626494921 /nfs/dbraw/zinc/49/49/21/626494921.db2.gz QVZUDWQKPGGSAA-SECBINFHSA-N 0 1 279.292 2.780 20 5 CFBDMN Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839548181 626546655 /nfs/dbraw/zinc/54/66/55/626546655.db2.gz NKZCCGXUWGKZFY-YUSALJHKSA-N 0 1 288.303 2.584 20 5 CFBDMN CC(C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccs1 ZINC000839568636 626546889 /nfs/dbraw/zinc/54/68/89/626546889.db2.gz ZTCRZMQLGZQQQF-OUAUKWLOSA-N 0 1 282.365 2.617 20 5 CFBDMN CC(C)(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839563798 626547346 /nfs/dbraw/zinc/54/73/46/626547346.db2.gz OCPOPNKSTOGASQ-JHJVBQTASA-N 0 1 276.336 2.555 20 5 CFBDMN CC(C)(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC000839698926 626551436 /nfs/dbraw/zinc/55/14/36/626551436.db2.gz IUNMVIQPZYPHRW-UPJWGTAASA-N 0 1 294.326 2.694 20 5 CFBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC3(C2)CCCCC3)cc1 ZINC000759063633 626626357 /nfs/dbraw/zinc/62/63/57/626626357.db2.gz VQHATJBRGLCUEG-HNNXBMFYSA-N 0 1 290.363 2.894 20 5 CFBDMN 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ZINC000589584245 348839632 /nfs/dbraw/zinc/83/96/32/348839632.db2.gz LGZDQZFLODXPQV-RKDXNWHRSA-N 0 1 267.354 2.693 20 5 CFBDMN CC[C@H]1CN(C)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000591850152 349051240 /nfs/dbraw/zinc/05/12/40/349051240.db2.gz VZMPTFLWAJCHPZ-ZDUSSCGKSA-N 0 1 297.786 2.774 20 5 CFBDMN Cc1ccc(CN2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000591505421 349027427 /nfs/dbraw/zinc/02/74/27/349027427.db2.gz OGDDVJXOLCVVGA-CQSZACIVSA-N 0 1 290.363 2.783 20 5 CFBDMN CCN(CCSC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000592202382 349099895 /nfs/dbraw/zinc/09/98/95/349099895.db2.gz YTNNTOLNIVMCSF-UHFFFAOYSA-N 0 1 295.364 2.921 20 5 CFBDMN CC[C@@H](CSCc1cc(O)ccc1[N+](=O)[O-])OC ZINC000593200738 349227877 /nfs/dbraw/zinc/22/78/77/349227877.db2.gz YQLDBBVBEVQFMF-NSHDSACASA-N 0 1 271.338 2.959 20 5 CFBDMN CC(C)O[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000593054486 349195955 /nfs/dbraw/zinc/19/59/55/349195955.db2.gz DYKJPPZRWLBRLS-HNNXBMFYSA-N 0 1 278.352 2.984 20 5 CFBDMN CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738708 349317484 /nfs/dbraw/zinc/31/74/84/349317484.db2.gz KBBAWMJBDGTUCH-GWCFXTLKSA-N 0 1 292.335 2.913 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2[C@@H](C)CCC2(C)C)c1[N+](=O)[O-] ZINC000597752575 350131126 /nfs/dbraw/zinc/13/11/26/350131126.db2.gz CXNKLCYKYZAMNX-VIFPVBQESA-N 0 1 294.355 2.844 20 5 CFBDMN C[C@H]1CC[C@@](C)(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1(C)C ZINC000597977827 350170152 /nfs/dbraw/zinc/17/01/52/350170152.db2.gz CUDXJJVGXPNHJQ-XPTSAGLGSA-N 0 1 294.355 2.510 20 5 CFBDMN CC[C@](C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000598251160 350225140 /nfs/dbraw/zinc/22/51/40/350225140.db2.gz PUFDIHISFRPMHK-AWEZNQCLSA-N 0 1 278.308 2.609 20 5 CFBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680845 350481221 /nfs/dbraw/zinc/48/12/21/350481221.db2.gz HYRGEGCPGHWZIQ-CUOATXAZSA-N 0 1 296.754 2.593 20 5 CFBDMN Cc1[nH]nc(C(=O)N2CC(C)(C)CCC2(C)C)c1[N+](=O)[O-] ZINC000600226191 350543592 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CCc1[nH]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1C ZINC000601936806 350808777 /nfs/dbraw/zinc/80/87/77/350808777.db2.gz VBYNNORTSNMKKH-VIFPVBQESA-N 0 1 261.281 2.652 20 5 CFBDMN Cc1c([N+](=O)[O-])cccc1N1N=C2CCCC[C@H]2C1=O ZINC000601941495 350811340 /nfs/dbraw/zinc/81/13/40/350811340.db2.gz YBOCMRGDUUNZRB-SNVBAGLBSA-N 0 1 273.292 2.796 20 5 CFBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)CCCC2 ZINC000601941495 350811341 /nfs/dbraw/zinc/81/13/41/350811341.db2.gz YBOCMRGDUUNZRB-SNVBAGLBSA-N 0 1 273.292 2.796 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c(C2CCC2)cc1=O ZINC000601943687 350812591 /nfs/dbraw/zinc/81/25/91/350812591.db2.gz SWPVHQJIVRBFNY-UHFFFAOYSA-N 0 1 273.292 2.796 20 5 CFBDMN O=C1[C@H]2CCCCC2=NN1c1ccc([N+](=O)[O-])cc1F ZINC000601944191 350812611 /nfs/dbraw/zinc/81/26/11/350812611.db2.gz WHSSFKXUBUXPBS-VIFPVBQESA-N 0 1 277.255 2.627 20 5 CFBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1F)CCCC2 ZINC000601944191 350812613 /nfs/dbraw/zinc/81/26/13/350812613.db2.gz WHSSFKXUBUXPBS-VIFPVBQESA-N 0 1 277.255 2.627 20 5 CFBDMN C[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)CS1 ZINC000602690037 350980258 /nfs/dbraw/zinc/98/02/58/350980258.db2.gz JNTLNUDBUAIEHS-DTWKUNHWSA-N 0 1 293.348 2.720 20 5 CFBDMN CSC1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602638465 350957518 /nfs/dbraw/zinc/95/75/18/350957518.db2.gz DIYHRIDDDZAOLH-UHFFFAOYSA-N 0 1 293.348 2.721 20 5 CFBDMN C[C@H]1C[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000610133406 351535659 /nfs/dbraw/zinc/53/56/59/351535659.db2.gz MVEPLCGEVPQKPF-UWVGGRQHSA-N 0 1 252.289 2.964 20 5 CFBDMN O=[N+]([O-])c1ccc(CN(C[C@H]2CCOC2)C2CC2)c(F)c1 ZINC000610476253 351569108 /nfs/dbraw/zinc/56/91/08/351569108.db2.gz QJELOVZJHRBFJR-LLVKDONJSA-N 0 1 294.326 2.735 20 5 CFBDMN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119961852 186865801 /nfs/dbraw/zinc/86/58/01/186865801.db2.gz DHQILTJENQVSNL-SDDRHHMPSA-N 0 1 293.367 2.549 20 5 CFBDMN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000611222026 351652378 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ZINC000135734091 187851066 /nfs/dbraw/zinc/85/10/66/187851066.db2.gz MATFJLJBYZPGNC-OAHLLOKOSA-N 0 1 278.352 2.638 20 5 CFBDMN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153088817 188064292 /nfs/dbraw/zinc/06/42/92/188064292.db2.gz VMLHCUVHAGMSPS-JQWIXIFHSA-N 0 1 298.770 2.984 20 5 CFBDMN Cc1cc(C[C@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000154181460 188127607 /nfs/dbraw/zinc/12/76/07/188127607.db2.gz CCQHJZYUBVGKBU-ZETCQYMHSA-N 0 1 295.730 2.718 20 5 CFBDMN Cc1nn(C)cc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000157718750 188334235 /nfs/dbraw/zinc/33/42/35/188334235.db2.gz LDJNVMLQLMARRG-LLVKDONJSA-N 0 1 288.351 2.796 20 5 CFBDMN O=[N+]([O-])c1ccc(CCN2CCOC3(CCCC3)C2)cc1 ZINC000158242730 188365502 /nfs/dbraw/zinc/36/55/02/188365502.db2.gz LISKRJJWFDTASO-UHFFFAOYSA-N 0 1 290.363 2.782 20 5 CFBDMN CCC[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272674936 191859660 /nfs/dbraw/zinc/85/96/60/191859660.db2.gz LYJHAYCDTJRZGT-NSHDSACASA-N 0 1 292.335 2.953 20 5 CFBDMN CCc1[nH]nc(C(=O)N2CCC[C@](C)(CC)C2)c1[N+](=O)[O-] ZINC000174752913 188916507 /nfs/dbraw/zinc/91/65/07/188916507.db2.gz KCWYQKHHPFFHLW-AWEZNQCLSA-N 0 1 294.355 2.533 20 5 CFBDMN CCn1nccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295981984 199743661 /nfs/dbraw/zinc/74/36/61/199743661.db2.gz JPHWVIMBZLTOOW-NSHDSACASA-N 0 1 274.324 2.662 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N(C)C)n1 ZINC000178149404 189093172 /nfs/dbraw/zinc/09/31/72/189093172.db2.gz BKRHNYCWNVFSMO-LBPRGKRZSA-N 0 1 290.323 2.606 20 5 CFBDMN CN(C)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000301941090 201270822 /nfs/dbraw/zinc/27/08/22/201270822.db2.gz VMYWKFIPCVOQCR-JTQLQIEISA-N 0 1 281.337 2.964 20 5 CFBDMN Cc1ccc(S(=O)(=O)Nc2ccsc2)c([N+](=O)[O-])c1 ZINC000438774314 240705589 /nfs/dbraw/zinc/70/55/89/240705589.db2.gz RKNHPMSETQYBKU-UHFFFAOYSA-N 0 1 298.345 2.766 20 5 CFBDMN CC[C@]1(CO)CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000439300682 240761510 /nfs/dbraw/zinc/76/15/10/240761510.db2.gz YTAQVPSTIGCTPI-CQSZACIVSA-N 0 1 298.770 2.985 20 5 CFBDMN Cc1ccc(CNc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000449671039 242099242 /nfs/dbraw/zinc/09/92/42/242099242.db2.gz YWJLLKKJIJVSJJ-UHFFFAOYSA-N 0 1 283.331 2.821 20 5 CFBDMN C[C@H]1CC[C@H](N(CCO)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000330863673 203328918 /nfs/dbraw/zinc/32/89/18/203328918.db2.gz TXLOMKJWRBFWGQ-AAEUAGOBSA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000016442843 372106850 /nfs/dbraw/zinc/10/68/50/372106850.db2.gz JTTKIVJOKIUAPS-LBPRGKRZSA-N 0 1 291.351 2.798 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCCC1 ZINC000028285378 372364330 /nfs/dbraw/zinc/36/43/30/372364330.db2.gz UFAGCCLFZQNLKN-UHFFFAOYSA-N 0 1 250.298 2.589 20 5 CFBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1C ZINC000037598612 372669796 /nfs/dbraw/zinc/66/97/96/372669796.db2.gz AUYDBFMXZOKCAC-JTQLQIEISA-N 0 1 280.324 2.588 20 5 CFBDMN Cc1nn(C)c(C)c1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775714 372705427 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CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC1(O)CCCC1 ZINC000130328215 377539495 /nfs/dbraw/zinc/53/94/95/377539495.db2.gz WJADGLUGSZMQBN-UHFFFAOYSA-N 0 1 298.770 2.985 20 5 CFBDMN CCC(CC)(CC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432180031 383727183 /nfs/dbraw/zinc/72/71/83/383727183.db2.gz TYQPFWWDSOSOJB-UHFFFAOYSA-N 0 1 280.324 2.999 20 5 CFBDMN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456462 378561128 /nfs/dbraw/zinc/56/11/28/378561128.db2.gz PDMCQCPKCKCWAM-ZYHUDNBSSA-N 0 1 264.325 2.921 20 5 CFBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCOC[C@H](C)C1 ZINC000332315757 378745440 /nfs/dbraw/zinc/74/54/40/378745440.db2.gz YLCFYGQSVKPGIC-VXGBXAGGSA-N 0 1 264.325 2.624 20 5 CFBDMN C[C@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332045630 378720757 /nfs/dbraw/zinc/72/07/57/378720757.db2.gz LPABCJZBNQPZGV-QWRGUYRKSA-N 0 1 292.335 2.692 20 5 CFBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCC1 ZINC000332442787 378763275 /nfs/dbraw/zinc/76/32/75/378763275.db2.gz 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290.363 2.906 20 5 CFBDMN C[C@H]1[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)CCCN1C ZINC000343482196 381744187 /nfs/dbraw/zinc/74/41/87/381744187.db2.gz SSBYRXVMDSLUSS-UFBFGSQYSA-N 0 1 285.294 2.768 20 5 CFBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](n2cccn2)C1 ZINC000291692260 381769854 /nfs/dbraw/zinc/76/98/54/381769854.db2.gz HNOWDZLDWDXJPC-QWHCGFSZSA-N 0 1 286.335 2.799 20 5 CFBDMN CN(c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(C)C1 ZINC000301328730 382148852 /nfs/dbraw/zinc/14/88/52/382148852.db2.gz CTZKZOGDHSVDKK-NSHDSACASA-N 0 1 283.759 2.779 20 5 CFBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1cnn(C)c1 ZINC000357699011 382284409 /nfs/dbraw/zinc/28/44/09/382284409.db2.gz PWYLWYKAKZPZTA-AWEZNQCLSA-N 0 1 288.351 2.878 20 5 CFBDMN CC(C)[C@]1(CO)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000377642102 382309298 /nfs/dbraw/zinc/30/92/98/382309298.db2.gz AVCVNZRMHURVEK-OAHLLOKOSA-N 0 1 296.342 2.574 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCCCC1 ZINC000302751673 382310152 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CC[C@H]1[C@@H](CO)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000385821501 382577919 /nfs/dbraw/zinc/57/79/19/382577919.db2.gz RRADFWIOCPZVOY-MFKMUULPSA-N 0 1 298.770 2.841 20 5 CFBDMN C[C@H]1CCCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000358394268 382599241 /nfs/dbraw/zinc/59/92/41/382599241.db2.gz GSFCPRUEGGWKRH-LBPRGKRZSA-N 0 1 291.351 2.798 20 5 CFBDMN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000385826295 382578203 /nfs/dbraw/zinc/57/82/03/382578203.db2.gz SLXFPCHHWICFCF-WCQYABFASA-N 0 1 298.770 2.841 20 5 CFBDMN C[C@@H](NCc1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000346938426 382578752 /nfs/dbraw/zinc/57/87/52/382578752.db2.gz HFWDMLVEXXVGDF-SNVBAGLBSA-N 0 1 275.283 2.980 20 5 CFBDMN CCC[C@H]1CCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000192896564 382713511 /nfs/dbraw/zinc/71/35/11/382713511.db2.gz DSPBQBPBEMGAOA-JTQLQIEISA-N 0 1 294.355 2.675 20 5 CFBDMN CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000193669204 382722399 /nfs/dbraw/zinc/72/23/99/382722399.db2.gz BSOZNROMGOHFBM-UHFFFAOYSA-N 0 1 267.285 2.733 20 5 CFBDMN CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000193698830 382722955 /nfs/dbraw/zinc/72/29/55/382722955.db2.gz NEUNUDSXKRQANR-UHFFFAOYSA-N 0 1 281.312 2.981 20 5 CFBDMN O=[N+]([O-])c1cc(CN[C@H]2CCC[C@H]2OC(F)F)cs1 ZINC000337288063 382794781 /nfs/dbraw/zinc/79/47/81/382794781.db2.gz LJDKDAZZCWPELV-DTWKUNHWSA-N 0 1 292.307 2.906 20 5 CFBDMN C[C@@H](CN1CCCCC1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227649247 382838794 /nfs/dbraw/zinc/83/87/94/382838794.db2.gz ZODGXKOJDYTCPO-JTQLQIEISA-N 0 1 298.774 2.930 20 5 CFBDMN CCN1CCC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887474 382842025 /nfs/dbraw/zinc/84/20/25/382842025.db2.gz QOJCNTGQNHMIMG-SECBINFHSA-N 0 1 285.294 2.769 20 5 CFBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000337681683 382854954 /nfs/dbraw/zinc/85/49/54/382854954.db2.gz IBBSYKXXTRCZGE-ZYHUDNBSSA-N 0 1 291.351 2.572 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCOCC(F)F ZINC000231676972 382866458 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C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000579843977 383059158 /nfs/dbraw/zinc/05/91/58/383059158.db2.gz DBKKNXTXDCMHTO-ZETOZRRWSA-N 0 1 292.335 2.698 20 5 CFBDMN CO[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246128249 383063363 /nfs/dbraw/zinc/06/33/63/383063363.db2.gz OOFFSOVFFSDWSI-SMDDNHRTSA-N 0 1 264.325 2.767 20 5 CFBDMN CC[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000247489402 383177480 /nfs/dbraw/zinc/17/74/80/383177480.db2.gz GPSPAFHQLGLIAV-DOMZBBRYSA-N 0 1 278.352 2.637 20 5 CFBDMN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)N1C ZINC000339623295 383264924 /nfs/dbraw/zinc/26/49/24/383264924.db2.gz NPNAVCBGTVHEAG-GHMZBOCLSA-N 0 1 297.786 2.773 20 5 CFBDMN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)N1C ZINC000339623296 383265700 /nfs/dbraw/zinc/26/57/00/383265700.db2.gz NPNAVCBGTVHEAG-PHIMTYICSA-N 0 1 297.786 2.773 20 5 CFBDMN COc1ccc(OCCN2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339625705 383267349 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CC[C@H](N[C@H](C)c1cnnn1C)c1cccc([N+](=O)[O-])c1 ZINC000925230828 620053256 /nfs/dbraw/zinc/05/32/56/620053256.db2.gz PSZRZIHVVCNHET-MFKMUULPSA-N 0 1 289.339 2.525 20 5 CFBDMN CC(C)[C@H](C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000798819608 620095368 /nfs/dbraw/zinc/09/53/68/620095368.db2.gz CEFBQBWKIVYJPT-SMDDNHRTSA-N 0 1 294.351 2.785 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@H]2CC[C@H](C3CC3)O2)c(F)c1 ZINC000897510481 620198462 /nfs/dbraw/zinc/19/84/62/620198462.db2.gz UQBWJGHQHOSGCW-UKRRQHHQSA-N 0 1 294.326 2.781 20 5 CFBDMN CCC[N@@H+](CC(=O)[O-])C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000901605137 620871888 /nfs/dbraw/zinc/87/18/88/620871888.db2.gz ISUCAHKGLWXGRU-XYOKQWHBSA-N 0 1 292.335 2.795 20 5 CFBDMN COc1cc(CSCc2cc(O)ccc2[N+](=O)[O-])on1 ZINC000902524715 621117300 /nfs/dbraw/zinc/11/73/00/621117300.db2.gz AAZQYACZTUUHKI-UHFFFAOYSA-N 0 1 296.304 2.730 20 5 CFBDMN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000903608425 621401981 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COC[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000171997733 623251057 /nfs/dbraw/zinc/25/10/57/623251057.db2.gz SGHVJYXULMNTGN-LLVKDONJSA-N 0 1 282.315 2.592 20 5 CFBDMN C[C@H](Nc1cc(Cl)ccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000230199002 623261239 /nfs/dbraw/zinc/26/12/39/623261239.db2.gz UZCKPXJEGUQQDS-LURJTMIESA-N 0 1 267.676 2.539 20 5 CFBDMN Cc1nn(CN2C[C@@H](C)CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000172919447 623317541 /nfs/dbraw/zinc/31/75/41/623317541.db2.gz SJYOHVZHORUDHY-QWRGUYRKSA-N 0 1 280.372 2.876 20 5 CFBDMN CC[C@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824635569 623536309 /nfs/dbraw/zinc/53/63/09/623536309.db2.gz IGBQLNBTBVFSOH-AAEUAGOBSA-N 0 1 298.770 2.841 20 5 CFBDMN Cc1nn(CN(C)[C@H](C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000914568400 623899967 /nfs/dbraw/zinc/89/99/67/623899967.db2.gz HHDAEMYZLDSEDM-LLVKDONJSA-N 0 1 268.361 2.732 20 5 CFBDMN C[C@@H]1CCN(Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC000915208262 623998801 /nfs/dbraw/zinc/99/88/01/623998801.db2.gz DEKBZBOHQALRBK-XBFCOCLRSA-N 0 1 278.356 2.649 20 5 CFBDMN CC(C)/C=C/C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837675525 624118259 /nfs/dbraw/zinc/11/82/59/624118259.db2.gz BULLHCUKKHPYKS-ZZXKWVIFSA-N 0 1 265.265 2.556 20 5 CFBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H]2CCN(C)[C@H]2C1 ZINC000828987531 624349171 /nfs/dbraw/zinc/34/91/71/624349171.db2.gz GULNQJGLGYJRPK-MFKMUULPSA-N 0 1 295.770 2.697 20 5 CFBDMN Cc1cn[nH]c1CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000918158541 624424250 /nfs/dbraw/zinc/42/42/50/624424250.db2.gz CINPUKPSWOYKLN-UHFFFAOYSA-N 0 1 293.348 2.939 20 5 CFBDMN CCN(CCSC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000830994404 624949289 /nfs/dbraw/zinc/94/92/89/624949289.db2.gz OHIWRUCPULCWOU-UHFFFAOYSA-N 0 1 272.345 2.919 20 5 CFBDMN COC(OC)[C@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000922310816 626265893 /nfs/dbraw/zinc/26/58/93/626265893.db2.gz IIKKDBGZFZONRP-NSHDSACASA-N 0 1 296.367 2.815 20 5 CFBDMN CC/C(C)=C\C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000838044808 626484737 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CCN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000768237328 627327800 /nfs/dbraw/zinc/32/78/00/627327800.db2.gz OTXMZUOIFLTNGJ-UHFFFAOYSA-N 0 1 280.324 2.596 20 5 CFBDMN CC(C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774914830 627979401 /nfs/dbraw/zinc/97/94/01/627979401.db2.gz RTKGTERKOIGGPE-NSHDSACASA-N 0 1 293.323 2.981 20 5 CFBDMN Cc1nn(CN2CCC[C@H]2CC(C)(C)C)cc1[N+](=O)[O-] ZINC000779860123 628414702 /nfs/dbraw/zinc/41/47/02/628414702.db2.gz TVOJYWKKULCEAP-LBPRGKRZSA-N 0 1 280.372 2.958 20 5 CFBDMN O=C(OCCc1ccc(F)cc1F)c1ccc([N+](=O)[O-])[nH]1 ZINC000780592836 628480740 /nfs/dbraw/zinc/48/07/40/628480740.db2.gz JYZYYRVCRMLGJF-UHFFFAOYSA-N 0 1 296.229 2.601 20 5 CFBDMN Cc1c(CNCc2ccc(F)nc2)cccc1[N+](=O)[O-] ZINC000791000421 629279650 /nfs/dbraw/zinc/27/96/50/629279650.db2.gz VJKBMNPQCRUOGL-UHFFFAOYSA-N 0 1 275.283 2.727 20 5 CFBDMN CC(C)(C)[C@@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000794704970 629677294 /nfs/dbraw/zinc/67/72/94/629677294.db2.gz HKCNORMWWOFICJ-LLVKDONJSA-N 0 1 266.345 2.507 20 5 CFBDMN CC(C)(C)[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000794705553 629677660 /nfs/dbraw/zinc/67/76/60/629677660.db2.gz KZXXTMFCYFRFMN-LLVKDONJSA-N 0 1 266.345 2.507 20 5 CFBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798962159 630264981 /nfs/dbraw/zinc/26/49/81/630264981.db2.gz JJUKGOSKMWIGQM-GFCCVEGCSA-N 0 1 299.330 2.685 20 5 CFBDMN CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cn1 ZINC000803049860 630581367 /nfs/dbraw/zinc/58/13/67/630581367.db2.gz XAPCTAUFANLXRI-NSHDSACASA-N 0 1 293.254 2.765 20 5 CFBDMN Cc1nn(CN2CCCCCCCC2)cc1[N+](=O)[O-] ZINC000840132636 630973032 /nfs/dbraw/zinc/97/30/32/630973032.db2.gz CZMSIOUOFIQEHI-UHFFFAOYSA-N 0 1 266.345 2.713 20 5 CFBDMN CCn1ccnc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000840157753 631074194 /nfs/dbraw/zinc/07/41/94/631074194.db2.gz CURWYXJPEGBETG-UHFFFAOYSA-N 0 1 279.321 2.809 20 5 CFBDMN O=[N+]([O-])c1ccc(CNc2nccn2C2CC2)cc1 ZINC000840887227 631252138 /nfs/dbraw/zinc/25/21/38/631252138.db2.gz TVIWQANVYZCDNG-UHFFFAOYSA-N 0 1 258.281 2.738 20 5 CFBDMN O=C(Oc1c(Cl)cccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000841010183 631303631 /nfs/dbraw/zinc/30/36/31/631303631.db2.gz CBWHIGZAWVMUGG-SVGQVSJJSA-N 0 1 276.075 2.564 20 5 CFBDMN CCN(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000811454854 631565684 /nfs/dbraw/zinc/56/56/84/631565684.db2.gz QDRUPQWRQMSXCW-UHFFFAOYSA-N 0 1 280.324 2.612 20 5 CFBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CCOC1 ZINC000811484768 631570062 /nfs/dbraw/zinc/57/00/62/631570062.db2.gz JVIWUWVQWJZXDA-VIFPVBQESA-N 0 1 291.134 2.780 20 5 CFBDMN CC[C@@H](C)c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842283222 631578949 /nfs/dbraw/zinc/57/89/49/631578949.db2.gz VITSBBRZBCGOPJ-OASPWFOLSA-N 0 1 263.293 2.771 20 5 CFBDMN C[C@@H](CO)C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000844416757 632201433 /nfs/dbraw/zinc/20/14/33/632201433.db2.gz QPKNHITUBYOYGD-NSHDSACASA-N 0 1 296.342 2.574 20 5 CFBDMN O=C(NC1(c2ccccc2Cl)CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000844648135 632274763 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O=C(OCc1cc(C2CC2)[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000848015601 633188084 /nfs/dbraw/zinc/18/80/84/633188084.db2.gz BCGKBBFKUFPHTA-UHFFFAOYSA-N 0 1 287.275 2.552 20 5 CFBDMN CCc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC000848532118 633280246 /nfs/dbraw/zinc/28/02/46/633280246.db2.gz ZMTNIBSYFAOSLW-AWEZNQCLSA-N 0 1 286.335 2.657 20 5 CFBDMN CCc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000848532118 633280252 /nfs/dbraw/zinc/28/02/52/633280252.db2.gz ZMTNIBSYFAOSLW-AWEZNQCLSA-N 0 1 286.335 2.657 20 5 CFBDMN Cc1c(CNCc2cnc(Cl)n2C)cccc1[N+](=O)[O-] ZINC000848548602 633286223 /nfs/dbraw/zinc/28/62/23/633286223.db2.gz IPBZPOTUCJMPES-UHFFFAOYSA-N 0 1 294.742 2.580 20 5 CFBDMN CC1(C)OC[C@@H]2C[C@@]21NCc1cc([N+](=O)[O-])ccc1Cl ZINC000858230070 636159252 /nfs/dbraw/zinc/15/92/52/636159252.db2.gz NPSQKELTNOZMTM-IINYFYTJSA-N 0 1 296.754 2.905 20 5 CFBDMN CCN1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000853687319 635075140 /nfs/dbraw/zinc/07/51/40/635075140.db2.gz SPZOTVOOAXKZFO-SNVBAGLBSA-N 0 1 299.321 2.794 20 5 CFBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC1(C)COC1 ZINC000859565841 636603731 /nfs/dbraw/zinc/60/37/31/636603731.db2.gz SOOXLXJSBRZSKC-UHFFFAOYSA-N 0 1 284.743 2.717 20 5 CFBDMN CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000048579947 650271719 /nfs/dbraw/zinc/27/17/19/650271719.db2.gz FJCZELIHTWFWGB-UHFFFAOYSA-N 0 1 297.742 2.529 20 5 CFBDMN Cc1[nH]ncc1CN(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000865901148 638650108 /nfs/dbraw/zinc/65/01/08/638650108.db2.gz MVPCBNPNLFXSGF-UHFFFAOYSA-N 0 1 282.250 2.541 20 5 CFBDMN Cc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000866479172 638827907 /nfs/dbraw/zinc/82/79/07/638827907.db2.gz QYFMLUWMEKNEMN-JTQLQIEISA-N 0 1 275.308 2.929 20 5 CFBDMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540149 638838986 /nfs/dbraw/zinc/83/89/86/638838986.db2.gz JULPEIRLTAXDOU-SNVBAGLBSA-N 0 1 274.324 2.786 20 5 CFBDMN C[C@@H](NC[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872028441 641559516 /nfs/dbraw/zinc/55/95/16/641559516.db2.gz PQCXWWMAGRSEEJ-GHMZBOCLSA-N 0 1 282.315 2.954 20 5 CFBDMN CC(C)C[C@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872029220 641559794 /nfs/dbraw/zinc/55/97/94/641559794.db2.gz PDPGMCKLDNEHPW-MNOVXSKESA-N 0 1 284.331 2.792 20 5 CFBDMN C[C@H](N[C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032825 641563246 /nfs/dbraw/zinc/56/32/46/641563246.db2.gz ALUCBCQGLCKOJN-UWVGGRQHSA-N 0 1 268.288 2.564 20 5 CFBDMN CCC[C@@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036647 641569766 /nfs/dbraw/zinc/56/97/66/641569766.db2.gz UHIOQNYFTSBJLM-VHSXEESVSA-N 0 1 270.304 2.546 20 5 CFBDMN CCC[C@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036648 641569940 /nfs/dbraw/zinc/56/99/40/641569940.db2.gz UHIOQNYFTSBJLM-ZJUUUORDSA-N 0 1 270.304 2.546 20 5 CFBDMN CCOC[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872065037 641597536 /nfs/dbraw/zinc/59/75/36/641597536.db2.gz RCVRYILSMWNIFH-UWVGGRQHSA-N 0 1 270.304 2.810 20 5 CFBDMN C[C@@H](N[C@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074875 641606878 /nfs/dbraw/zinc/60/68/78/641606878.db2.gz JUGLUHZMEUVLOU-SKDRFNHKSA-N 0 1 282.315 2.952 20 5 CFBDMN C[C@H](N[C@H]1CO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082234 641615195 /nfs/dbraw/zinc/61/51/95/641615195.db2.gz SMTVGPRNZINYKW-KXUCPTDWSA-N 0 1 268.288 2.562 20 5 CFBDMN C[C@@H](N[C@H]1CO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082235 641615760 /nfs/dbraw/zinc/61/57/60/641615760.db2.gz SMTVGPRNZINYKW-OPRDCNLKSA-N 0 1 268.288 2.562 20 5 CFBDMN C[C@@H](N[C@H]1COC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085293 641619265 /nfs/dbraw/zinc/61/92/65/641619265.db2.gz PCWGCYWIHQDDCG-NXEZZACHSA-N 0 1 282.315 2.952 20 5 CFBDMN Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000872160866 641682218 /nfs/dbraw/zinc/68/22/18/641682218.db2.gz NSCPHYBMWFPMDP-YGRLFVJLSA-N 0 1 292.335 2.588 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc[nH]c1=O ZINC000873144822 642029666 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O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886832287 647155951 /nfs/dbraw/zinc/15/59/51/647155951.db2.gz FOMZYJUCOQBLIP-XHDPSFHLSA-N 0 1 294.326 2.735 20 5 CFBDMN COC1(OC)CC[C@H]1N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000925490715 648182202 /nfs/dbraw/zinc/18/22/02/648182202.db2.gz CJEBJHMMQDBGGX-SMDDNHRTSA-N 0 1 294.351 2.705 20 5 CFBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnnc1 ZINC000926493023 648508800 /nfs/dbraw/zinc/50/88/00/648508800.db2.gz MPWMFNBRDXJWSS-WDEREUQCSA-N 0 1 272.308 2.797 20 5 CFBDMN Cc1ccc(NC(=O)[C@@H]2CCCN2C(C)C)cc1[N+](=O)[O-] ZINC000929134521 648987087 /nfs/dbraw/zinc/98/70/87/648987087.db2.gz XZXFKGQWEOAXKH-ZDUSSCGKSA-N 0 1 291.351 2.715 20 5 CFBDMN COc1ccc(CCC2CCN(CC[N+](=O)[O-])CC2)cc1 ZINC000929242204 649011807 /nfs/dbraw/zinc/01/18/07/649011807.db2.gz JPVABAIJUHVBKP-UHFFFAOYSA-N 0 1 292.379 2.617 20 5 CFBDMN COc1cc([C@H](C)NCC[N+](=O)[O-])ccc1OCC(C)C ZINC000930201782 649205816 /nfs/dbraw/zinc/20/58/16/649205816.db2.gz 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ZINC000436475700 383820964 /nfs/dbraw/zinc/82/09/64/383820964.db2.gz PHOWXCZNYWKBPT-UHFFFAOYSA-N 0 1 262.290 2.988 20 5 CFBDMN Cc1[nH]ncc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000572995424 383855241 /nfs/dbraw/zinc/85/52/41/383855241.db2.gz CRIOPNYZYIZLIF-UHFFFAOYSA-N 0 1 287.323 2.512 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000573098275 383872000 /nfs/dbraw/zinc/87/20/00/383872000.db2.gz VRFIEGBGBFDAQE-MNOVXSKESA-N 0 1 280.324 2.617 20 5 CFBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000573365137 383918192 /nfs/dbraw/zinc/91/81/92/383918192.db2.gz QZSWSVIGXRLIOU-UHFFFAOYSA-N 0 1 262.313 2.701 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[C@@H](C)O1 ZINC000453630717 383890502 /nfs/dbraw/zinc/89/05/02/383890502.db2.gz MMIWHIASHJNWNG-BXUZGUMPSA-N 0 1 294.351 2.651 20 5 CFBDMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000265696745 383979629 /nfs/dbraw/zinc/97/96/29/383979629.db2.gz PCNDNVVHXROISH-GXSJLCMTSA-N 0 1 294.355 2.667 20 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0 1 280.372 2.958 20 5 CFBDMN Cc1nn(CN2CC[C@@]3(CC[C@@H](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000781588619 628562595 /nfs/dbraw/zinc/56/25/95/628562595.db2.gz XIUYLZIFMLJSAQ-IAQYHMDHSA-N 0 1 292.383 2.878 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2CCO)cc1Cl ZINC000783679010 628734154 /nfs/dbraw/zinc/73/41/54/628734154.db2.gz FQTRTNBDKWHQNV-NSHDSACASA-N 0 1 284.743 2.595 20 5 CFBDMN CC[C@]1(CO)CCCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000789566845 629167466 /nfs/dbraw/zinc/16/74/66/629167466.db2.gz OLCIJHCOXQVGOT-CQSZACIVSA-N 0 1 298.770 2.985 20 5 CFBDMN O=C(O[C@H](C1CC1)C1CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000836042121 630232052 /nfs/dbraw/zinc/23/20/52/630232052.db2.gz IJPALHPFPIIRSY-LBPRGKRZSA-N 0 1 264.281 2.658 20 5 CFBDMN CC(C)[C@@H](C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000798819641 630242330 /nfs/dbraw/zinc/24/23/30/630242330.db2.gz DHLJCVOGOZMAMC-FZMZJTMJSA-N 0 1 294.351 2.785 20 5 CFBDMN Cc1c(-c2nc([C@@H](N)C(C)C)no2)cccc1[N+](=O)[O-] ZINC000041123489 649988929 /nfs/dbraw/zinc/98/89/29/649988929.db2.gz JOEWSIOOLOCQRF-NSHDSACASA-N 0 1 276.296 2.609 20 5 CFBDMN CC(C)[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837523894 631054422 /nfs/dbraw/zinc/05/44/22/631054422.db2.gz MPSAIQTWGRNPDI-SECBINFHSA-N 0 1 267.281 2.636 20 5 CFBDMN CSC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000837688522 631108784 /nfs/dbraw/zinc/10/87/84/631108784.db2.gz FXUOQWDMTFYJQR-UHFFFAOYSA-N 0 1 297.332 2.629 20 5 CFBDMN O=C(OCCc1ccc2ccccc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840671278 631174152 /nfs/dbraw/zinc/17/41/52/631174152.db2.gz TYFHKSQWHIRVLS-HUUCEWRRSA-N 0 1 285.299 2.591 20 5 CFBDMN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841000140 631299041 /nfs/dbraw/zinc/29/90/41/631299041.db2.gz ZSEVEIKSHSGZLE-HZGVNTEJSA-N 0 1 275.091 2.597 20 5 CFBDMN CCCSc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841180898 631354012 /nfs/dbraw/zinc/35/40/12/631354012.db2.gz BPJWXBZSHHLXKD-CHWSQXEVSA-N 0 1 295.360 2.897 20 5 CFBDMN CC(C)(C)N(Cc1ccc(F)cc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841188050 631355286 /nfs/dbraw/zinc/35/52/86/631355286.db2.gz LVHZEKCZKZPQKF-CHWSQXEVSA-N 0 1 294.326 2.618 20 5 CFBDMN CC1(C)CCC[C@@H]1[C@H]1CCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000842635441 631688855 /nfs/dbraw/zinc/68/88/55/631688855.db2.gz NKVMCZNCSOBLIL-QWHCGFSZSA-N 0 1 292.383 2.897 20 5 CFBDMN CC1(C)[C@@H](O)CCN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000812779849 631772095 /nfs/dbraw/zinc/77/20/95/631772095.db2.gz ZXOMUWDQRSJXBJ-LBPRGKRZSA-N 0 1 284.743 2.593 20 5 CFBDMN CC[C@@H](C)CON=c1[nH]c(C)cc(C)c1[N+](=O)[O-] ZINC000813622273 631943081 /nfs/dbraw/zinc/94/30/81/631943081.db2.gz NLJNFWBKGRAGRG-MRVPVSSYSA-N 0 1 253.302 2.996 20 5 CFBDMN Cc1cncc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815598872 632295274 /nfs/dbraw/zinc/29/52/74/632295274.db2.gz FLNNZHXBEULNOD-NSHDSACASA-N 0 1 286.335 2.731 20 5 CFBDMN C[C@@H]1CC[C@@H](C)[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000816225587 632398900 /nfs/dbraw/zinc/39/89/00/632398900.db2.gz VGIZTAYAPMUOHN-FXPVBKGRSA-N 0 1 266.297 2.904 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817198711 632569398 /nfs/dbraw/zinc/56/93/98/632569398.db2.gz NPLQWCRZXIAMHJ-GMTAPVOTSA-N 0 1 291.303 2.780 20 5 CFBDMN C[C@H]1C[C@@H](CO)CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000817412868 632624464 /nfs/dbraw/zinc/62/44/64/632624464.db2.gz PWRVJLLBINFVEL-CMPLNLGQSA-N 0 1 298.770 2.699 20 5 CFBDMN CC1(C)CC[C@@H]1C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000850068782 633820389 /nfs/dbraw/zinc/82/03/89/633820389.db2.gz IZLVQPMBYYEPOL-LLVKDONJSA-N 0 1 279.292 2.780 20 5 CFBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccns1 ZINC000858316653 636186554 /nfs/dbraw/zinc/18/65/54/636186554.db2.gz GGWPJRVOMRIHES-MRVPVSSYSA-N 0 1 279.321 2.608 20 5 CFBDMN CCCn1nccc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787852 638574519 /nfs/dbraw/zinc/57/45/19/638574519.db2.gz UETXICMUOFYLCV-UHFFFAOYSA-N 0 1 288.351 2.800 20 5 CFBDMN Cc1nn(C[N@H+]2CCC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121229241 638875203 /nfs/dbraw/zinc/87/52/03/638875203.db2.gz WLSYASIVUNOGER-UHFFFAOYSA-N 0 1 288.351 2.942 20 5 CFBDMN Cc1nn(CN2CCC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121229241 638875205 /nfs/dbraw/zinc/87/52/05/638875205.db2.gz WLSYASIVUNOGER-UHFFFAOYSA-N 0 1 288.351 2.942 20 5 CFBDMN Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121240180 638875299 /nfs/dbraw/zinc/87/52/99/638875299.db2.gz WMXSBEHUJOWNMT-PWSUYJOCSA-N 0 1 288.351 2.941 20 5 CFBDMN Cc1nn(C[N@@H+]2CCC[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121231505 638875372 /nfs/dbraw/zinc/87/53/72/638875372.db2.gz HAQCLADQJIKIEY-JTQLQIEISA-N 0 1 274.324 2.695 20 5 CFBDMN Cc1nn(CN2CCC[C@@H]2C)c2cc([N+](=O)[O-])ccc12 ZINC000121231505 638875373 /nfs/dbraw/zinc/87/53/73/638875373.db2.gz HAQCLADQJIKIEY-JTQLQIEISA-N 0 1 274.324 2.695 20 5 CFBDMN CC(C)[C@](C)(O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034674 641566123 /nfs/dbraw/zinc/56/61/23/641566123.db2.gz ILCSGFYJJIVJCG-IINYFYTJSA-N 0 1 284.331 2.792 20 5 CFBDMN C[C@@H](NC[C@]1(C)CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043055 641578021 /nfs/dbraw/zinc/57/80/21/641578021.db2.gz VNEDJLFDYGWBDM-YGRLFVJLSA-N 0 1 282.315 2.954 20 5 CFBDMN C[C@@H](N[C@@H](C)Cn1cccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872046442 641581227 /nfs/dbraw/zinc/58/12/27/641581227.db2.gz HKTSFDRGNNSNNU-WDEREUQCSA-N 0 1 292.314 2.670 20 5 CFBDMN C[C@@H](N[C@@H](CCO)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049563 641583955 /nfs/dbraw/zinc/58/39/55/641583955.db2.gz STGDBRQQHSEHFU-SKDRFNHKSA-N 0 1 282.315 2.546 20 5 CFBDMN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872063494 641595574 /nfs/dbraw/zinc/59/55/74/641595574.db2.gz QQAOHSJJVVKLMS-AXTRIDKLSA-N 0 1 282.315 2.544 20 5 CFBDMN CC(C)[C@@H](CO)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071145 641602637 /nfs/dbraw/zinc/60/26/37/641602637.db2.gz LALSCIXDZLLQLA-GHMZBOCLSA-N 0 1 284.331 2.649 20 5 CFBDMN CO[C@@H]1CCC[C@H]1N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076406 641607983 /nfs/dbraw/zinc/60/79/83/641607983.db2.gz KYKRXYQNVPYJQA-IRUJWGPZSA-N 0 1 282.315 2.952 20 5 CFBDMN C[C@H](N[C@@H]1COC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085294 641619277 /nfs/dbraw/zinc/61/92/77/641619277.db2.gz PCWGCYWIHQDDCG-UWVGGRQHSA-N 0 1 282.315 2.952 20 5 CFBDMN Cc1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000872160637 641682557 /nfs/dbraw/zinc/68/25/57/641682557.db2.gz KDJIMNNNBPVNQE-AWEZNQCLSA-N 0 1 294.351 2.834 20 5 CFBDMN Cc1c(C[N@H+]2CCCCC[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000080992679 650717912 /nfs/dbraw/zinc/71/79/12/650717912.db2.gz LKKVUNYBBCEUOG-CQSZACIVSA-N 0 1 292.335 2.732 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCSCC1 ZINC000876561718 642924208 /nfs/dbraw/zinc/92/42/08/642924208.db2.gz RHHHPNFPLSJRKK-UHFFFAOYSA-N 0 1 266.366 2.760 20 5 CFBDMN COCCC1(C)CN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000877582427 643377505 /nfs/dbraw/zinc/37/75/05/643377505.db2.gz VMWDBAOYQWWIGQ-UHFFFAOYSA-N 0 1 278.352 2.762 20 5 CFBDMN CO[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000878285582 643821688 /nfs/dbraw/zinc/82/16/88/643821688.db2.gz CJLZDMUFFPIIBZ-JNSHFYNHSA-N 0 1 290.363 2.984 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](OC)CC[C@@H]1C ZINC000879328184 644234493 /nfs/dbraw/zinc/23/44/93/644234493.db2.gz YJAOIGCJRPZFHN-SMDDNHRTSA-N 0 1 294.351 2.603 20 5 CFBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879555644 644317020 /nfs/dbraw/zinc/31/70/20/644317020.db2.gz AILIJIOMTKVYMT-ZYHUDNBSSA-N 0 1 296.367 2.919 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)CC(C)(C)C1 ZINC000879616670 644349405 /nfs/dbraw/zinc/34/94/05/644349405.db2.gz IDQNGAGWRAWAKN-SMDDNHRTSA-N 0 1 278.352 2.749 20 5 CFBDMN C[C@@H]1CC[C@H](CO)N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000880439926 644707224 /nfs/dbraw/zinc/70/72/24/644707224.db2.gz NKEDIQYEYKHAJU-BXKDBHETSA-N 0 1 284.743 2.593 20 5 CFBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000252924580 651029626 /nfs/dbraw/zinc/02/96/26/651029626.db2.gz LKBDMRKUYFLYDL-ZIAGYGMSSA-N 0 1 298.770 2.984 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN(C1CC1)C1CCCC1 ZINC000886002446 646806829 /nfs/dbraw/zinc/80/68/29/646806829.db2.gz ZZWPJMFENWEPRF-UHFFFAOYSA-N 0 1 261.325 2.897 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H]2CCC[C@@H]21 ZINC000886021482 646824136 /nfs/dbraw/zinc/82/41/36/646824136.db2.gz XHWIYVDRCNDXQC-YPMHNXCESA-N 0 1 261.325 2.754 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCS[C@@H]2CCCC[C@H]21 ZINC000886038477 646833719 /nfs/dbraw/zinc/83/37/19/646833719.db2.gz WJMBURXKDLNGJA-CHWSQXEVSA-N 0 1 293.392 2.850 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000886038479 646835026 /nfs/dbraw/zinc/83/50/26/646835026.db2.gz WJMBURXKDLNGJA-QWHCGFSZSA-N 0 1 293.392 2.850 20 5 CFBDMN CN(Cc1cccnc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000886125686 646884599 /nfs/dbraw/zinc/88/45/99/646884599.db2.gz YLOPMMMNSQQGAQ-LBPRGKRZSA-N 0 1 261.325 2.778 20 5 CFBDMN CN(Cc1cccnc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000886125685 646884862 /nfs/dbraw/zinc/88/48/62/646884862.db2.gz YLOPMMMNSQQGAQ-GFCCVEGCSA-N 0 1 261.325 2.778 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN(C1CCC1)C1CCC1 ZINC000886215079 646923718 /nfs/dbraw/zinc/92/37/18/646923718.db2.gz CVXDPOACECNUSD-UHFFFAOYSA-N 0 1 261.325 2.897 20 5 CFBDMN O=[N+]([O-])c1cccc(CN(CCOC2CC2)C2CC2)c1 ZINC000929852216 649139591 /nfs/dbraw/zinc/13/95/91/649139591.db2.gz HSWWYYYLDRVTQC-UHFFFAOYSA-N 0 1 276.336 2.738 20 5 CFBDMN O=[N+]([O-])CCN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000929890312 649145222 /nfs/dbraw/zinc/14/52/22/649145222.db2.gz UYCDDHNXYWFPSM-HNNXBMFYSA-N 0 1 260.337 2.805 20 5 CFBDMN CCCC[C@@H](NCC[N+](=O)[O-])c1ccc(OC)cc1 ZINC000930213772 649208070 /nfs/dbraw/zinc/20/80/70/649208070.db2.gz JMVQSLJXLPGMKH-CQSZACIVSA-N 0 1 266.341 2.793 20 5 CFBDMN COc1ccccc1[C@@H]1CC[C@@H](C)CN1CC[N+](=O)[O-] ZINC000930449007 649250306 /nfs/dbraw/zinc/25/03/06/649250306.db2.gz KRRIBPUVKOOHAY-OCCSQVGLSA-N 0 1 278.352 2.745 20 5 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/nfs/dbraw/zinc/58/53/64/378585364.db2.gz ISNMAAWJQOKEMF-JTQLQIEISA-N 0 1 250.298 2.532 20 5 CFBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOC[C@H](C)C1 ZINC000332297604 378744234 /nfs/dbraw/zinc/74/42/34/378744234.db2.gz URWJKGTYWIZFGH-NEPJUHHUSA-N 0 1 264.325 2.624 20 5 CFBDMN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000162407909 378911653 /nfs/dbraw/zinc/91/16/53/378911653.db2.gz MFFPZBLQOZHTHT-SNVBAGLBSA-N 0 1 277.349 2.945 20 5 CFBDMN C[C@@H](NCCO[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000278693340 194105764 /nfs/dbraw/zinc/10/57/64/194105764.db2.gz JHLQRSZQTIBDRD-IUODEOHRSA-N 0 1 294.351 2.789 20 5 CFBDMN CC[C@@H](C)CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000171948819 379447615 /nfs/dbraw/zinc/44/76/15/379447615.db2.gz AAJXZSKHEKSKGY-LLVKDONJSA-N 0 1 293.367 2.820 20 5 CFBDMN CC[C@@H](NCc1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000175051288 379986898 /nfs/dbraw/zinc/98/68/98/379986898.db2.gz RHDJQYQWSVIOQI-CQSZACIVSA-N 0 1 274.324 2.569 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@H](C)[C@@H]1C ZINC000177878410 380389547 /nfs/dbraw/zinc/38/95/47/380389547.db2.gz AXYHNWNQLATRFZ-PWSUYJOCSA-N 0 1 291.351 2.572 20 5 CFBDMN Cc1ccc([C@@H](C)NCc2c([N+](=O)[O-])ncn2C)cc1C ZINC000341177501 380817492 /nfs/dbraw/zinc/81/74/92/380817492.db2.gz WQKQEHCTZMGSKQ-GFCCVEGCSA-N 0 1 288.351 2.796 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@](C)(OC)C1 ZINC000279297950 194373477 /nfs/dbraw/zinc/37/34/77/194373477.db2.gz LTVFXHFILIDEDQ-HNNXBMFYSA-N 0 1 294.351 2.604 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411943001 381065196 /nfs/dbraw/zinc/06/51/96/381065196.db2.gz MKZKDDTZOUAHFL-DLBZAZTESA-N 0 1 298.342 2.903 20 5 CFBDMN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279335795 194389774 /nfs/dbraw/zinc/38/97/74/194389774.db2.gz PFYNQCLKXURFIT-MLGOLLRUSA-N 0 1 290.363 2.637 20 5 CFBDMN Cc1cnn([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289729455 381123890 /nfs/dbraw/zinc/12/38/90/381123890.db2.gz DGYBRCJTKSRXHB-OAHLLOKOSA-N 0 1 286.335 2.547 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H]2C(F)F)c(Cl)c1 ZINC000342227716 381224476 /nfs/dbraw/zinc/22/44/76/381224476.db2.gz KVHQGODXOHGIFD-SCZZXKLOSA-N 0 1 276.670 2.991 20 5 CFBDMN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])c1 ZINC000370594147 381473454 /nfs/dbraw/zinc/47/34/54/381473454.db2.gz OKFWFCOTYYOSGT-KKUMJFAQSA-N 0 1 288.347 2.632 20 5 CFBDMN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000370594148 381473474 /nfs/dbraw/zinc/47/34/74/381473474.db2.gz OKFWFCOTYYOSGT-QLFBSQMISA-N 0 1 288.347 2.632 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(Nc2cc(C3CC3)n(C)n2)n1 ZINC000291053819 381649359 /nfs/dbraw/zinc/64/93/59/381649359.db2.gz DYTRARDUQRHGNS-UHFFFAOYSA-N 0 1 273.296 2.653 20 5 CFBDMN CC(C)(NCc1ccnc(N)c1)c1ccccc1[N+](=O)[O-] ZINC000298515237 381657533 /nfs/dbraw/zinc/65/75/33/381657533.db2.gz VMCJBXQIVFAWTB-UHFFFAOYSA-N 0 1 286.335 2.597 20 5 CFBDMN Cc1cc(N2CCN(CC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000359900657 381666688 /nfs/dbraw/zinc/66/66/88/381666688.db2.gz PEACOURFPYGMRK-UHFFFAOYSA-N 0 1 293.342 2.574 20 5 CFBDMN CCN(CCC1CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355319168 381747959 /nfs/dbraw/zinc/74/79/59/381747959.db2.gz RTIPDULIPWEHCY-UHFFFAOYSA-N 0 1 278.308 2.563 20 5 CFBDMN O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000373247687 381960533 /nfs/dbraw/zinc/96/05/33/381960533.db2.gz SBQCNUWAPGHFBJ-AWEZNQCLSA-N 0 1 296.754 2.595 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000373247687 381960543 /nfs/dbraw/zinc/96/05/43/381960543.db2.gz SBQCNUWAPGHFBJ-AWEZNQCLSA-N 0 1 296.754 2.595 20 5 CFBDMN O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000373247688 381960818 /nfs/dbraw/zinc/96/08/18/381960818.db2.gz SBQCNUWAPGHFBJ-CQSZACIVSA-N 0 1 296.754 2.595 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000373247688 381960822 /nfs/dbraw/zinc/96/08/22/381960822.db2.gz SBQCNUWAPGHFBJ-CQSZACIVSA-N 0 1 296.754 2.595 20 5 CFBDMN CCOc1cc(CN2C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000293160064 382013662 /nfs/dbraw/zinc/01/36/62/382013662.db2.gz VNWYKPPEJABUBZ-GHMZBOCLSA-N 0 1 264.325 2.834 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN1CC2CCC1CC2 ZINC000362338622 382014213 /nfs/dbraw/zinc/01/42/13/382014213.db2.gz CANSWZPPEBBKRS-UHFFFAOYSA-N 0 1 276.336 2.978 20 5 CFBDMN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 ZINC000343938448 382028732 /nfs/dbraw/zinc/02/87/32/382028732.db2.gz IBMJEHUYTYODBJ-QMMMGPOBSA-N 0 1 298.306 2.743 20 5 CFBDMN CC[C@@]1(CO)CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000187580454 382215815 /nfs/dbraw/zinc/21/58/15/382215815.db2.gz IELZCUVLARNKQT-OAHLLOKOSA-N 0 1 278.352 2.579 20 5 CFBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1cnn(C)c1 ZINC000357699017 382284592 /nfs/dbraw/zinc/28/45/92/382284592.db2.gz PWYLWYKAKZPZTA-CQSZACIVSA-N 0 1 288.351 2.878 20 5 CFBDMN COc1cc(CN2CCC23CCC3)ccc1[N+](=O)[O-] ZINC000352544759 382390377 /nfs/dbraw/zinc/39/03/77/382390377.db2.gz CRDQYGVKOQEXFI-UHFFFAOYSA-N 0 1 262.309 2.732 20 5 CFBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000352628070 382422892 /nfs/dbraw/zinc/42/28/92/382422892.db2.gz IGDDIVBXUWGVAL-UWVGGRQHSA-N 0 1 252.289 2.964 20 5 CFBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000352619454 382420933 /nfs/dbraw/zinc/42/09/33/382420933.db2.gz SZVVLISETKUILX-UHFFFAOYSA-N 0 1 282.259 2.723 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](SC)C1 ZINC000295036447 382563658 /nfs/dbraw/zinc/56/36/58/382563658.db2.gz MEFVJOZINHEFAU-ZDUSSCGKSA-N 0 1 296.392 2.931 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)c(CNCCOCC(F)F)c1 ZINC000190889445 382683985 /nfs/dbraw/zinc/68/39/85/382683985.db2.gz HCTIMNDXYHFSFK-UHFFFAOYSA-N 0 1 294.685 2.620 20 5 CFBDMN CC1(C)CC[C@H](CNCc2csc([N+](=O)[O-])c2)O1 ZINC000189728138 382637671 /nfs/dbraw/zinc/63/76/71/382637671.db2.gz YNXQVWABQJCPKK-SNVBAGLBSA-N 0 1 270.354 2.704 20 5 CFBDMN COc1ccc(CNCc2ccncc2C)cc1[N+](=O)[O-] ZINC000228671821 382848698 /nfs/dbraw/zinc/84/86/98/382848698.db2.gz OWMPNJBTAJTFAA-UHFFFAOYSA-N 0 1 287.319 2.597 20 5 CFBDMN Cc1c(C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)cccc1[N+](=O)[O-] ZINC000576530716 382826704 /nfs/dbraw/zinc/82/67/04/382826704.db2.gz YMQIPULVYHBHDX-NSHDSACASA-N 0 1 292.335 2.731 20 5 CFBDMN C[C@@H](NCc1ccc(CO)cc1)c1ccccc1[N+](=O)[O-] ZINC000226560937 382829935 /nfs/dbraw/zinc/82/99/35/382829935.db2.gz PNWCAFBGAKLCDX-GFCCVEGCSA-N 0 1 286.331 2.938 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](OC)C[C@@H]1C ZINC000441345256 382909179 /nfs/dbraw/zinc/90/91/79/382909179.db2.gz GLQOOTRGLZPIJY-SMDDNHRTSA-N 0 1 294.351 2.603 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000441632782 382921339 /nfs/dbraw/zinc/92/13/39/382921339.db2.gz GDTYAWZIRBPKSL-RYUDHWBXSA-N 0 1 294.326 2.592 20 5 CFBDMN C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000457272175 383008356 /nfs/dbraw/zinc/00/83/56/383008356.db2.gz UHGABCPLPQSEGZ-MEBBXXQBSA-N 0 1 292.335 2.999 20 5 CFBDMN CC1(C)CC[C@H](CNCc2ccc([N+](=O)[O-])cc2F)O1 ZINC000495179162 382967964 /nfs/dbraw/zinc/96/79/64/382967964.db2.gz YWMHBVDYJVGEGV-GFCCVEGCSA-N 0 1 282.315 2.781 20 5 CFBDMN COC[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000552069045 383068421 /nfs/dbraw/zinc/06/84/21/383068421.db2.gz MQLIVBPTHYJKNA-CYBMUJFWSA-N 0 1 288.294 2.634 20 5 CFBDMN CN(Cc1ccoc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338924195 383087606 /nfs/dbraw/zinc/08/76/06/383087606.db2.gz FFIAHLJTGSVKNQ-UHFFFAOYSA-N 0 1 262.265 2.525 20 5 CFBDMN C[N@@H+](CCc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338925174 383087766 /nfs/dbraw/zinc/08/77/66/383087766.db2.gz YUWOLCGKOJFYGM-UHFFFAOYSA-N 0 1 286.331 2.975 20 5 CFBDMN C[C@@H]1CC[C@H]([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339123467 383157712 /nfs/dbraw/zinc/15/77/12/383157712.db2.gz FYGHUAIBWMCBQO-PWSUYJOCSA-N 0 1 264.325 2.921 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCC[C@@H]1F ZINC000339585915 383254282 /nfs/dbraw/zinc/25/42/82/383254282.db2.gz CVFAUUAIGLPLKB-STQMWFEESA-N 0 1 252.289 2.883 20 5 CFBDMN O=C([O-])[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000566843415 383216328 /nfs/dbraw/zinc/21/63/28/383216328.db2.gz SIEQQSNHDUPWRB-BRLPQQTGSA-N 0 1 290.319 2.547 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000248324956 383223913 /nfs/dbraw/zinc/22/39/13/383223913.db2.gz AXYHNWNQLATRFZ-CMPLNLGQSA-N 0 1 291.351 2.572 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)[C@H]1C ZINC000248324956 383223914 /nfs/dbraw/zinc/22/39/14/383223914.db2.gz AXYHNWNQLATRFZ-CMPLNLGQSA-N 0 1 291.351 2.572 20 5 CFBDMN Cc1ccnc(NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000340077343 383349647 /nfs/dbraw/zinc/34/96/47/383349647.db2.gz KKFFGPZMRHGYEQ-UHFFFAOYSA-N 0 1 257.293 2.953 20 5 CFBDMN CC[C@@H]1CN(C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567725131 383306781 /nfs/dbraw/zinc/30/67/81/383306781.db2.gz WAOYBJASBUWJFX-LLVKDONJSA-N 0 1 297.786 2.774 20 5 CFBDMN Cc1c(Nc2ncc([N+](=O)[O-])c(C)n2)cnn1CC(C)C ZINC000450417029 383400573 /nfs/dbraw/zinc/40/05/73/383400573.db2.gz ICZMLMIUQLKXJY-UHFFFAOYSA-N 0 1 290.327 2.598 20 5 CFBDMN CC[C@@H](C)n1ncc(Nc2ncc([N+](=O)[O-])c(C)n2)c1C ZINC000450479199 383428576 /nfs/dbraw/zinc/42/85/76/383428576.db2.gz MCJRZUJVLJZOHB-MRVPVSSYSA-N 0 1 290.327 2.913 20 5 CFBDMN NC1(c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)CCC1 ZINC000261933263 383582100 /nfs/dbraw/zinc/58/21/00/383582100.db2.gz LSQBHVODKCZMQG-UHFFFAOYSA-N 0 1 294.698 2.636 20 5 CFBDMN C[C@@H]1CC[C@H](N(CCO)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429770647 383567544 /nfs/dbraw/zinc/56/75/44/383567544.db2.gz KSXKGUBJEIILMA-NEPJUHHUSA-N 0 1 296.342 2.717 20 5 CFBDMN CO[C@@H]1C[C@@H](NCc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451498186 383629015 /nfs/dbraw/zinc/62/90/15/383629015.db2.gz MXGNLQOJDJDGOF-CHWSQXEVSA-N 0 1 282.315 2.637 20 5 CFBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC000264697063 383773533 /nfs/dbraw/zinc/77/35/33/383773533.db2.gz VIMOCLAWSIFAID-SNVBAGLBSA-N 0 1 294.355 2.533 20 5 CFBDMN Cc1ncncc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000572735042 383812967 /nfs/dbraw/zinc/81/29/67/383812967.db2.gz OIYIGYZDMOMILA-LLVKDONJSA-N 0 1 286.335 2.852 20 5 CFBDMN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000573097746 383872167 /nfs/dbraw/zinc/87/21/67/383872167.db2.gz PSVUAAXQEHJQEU-AWEZNQCLSA-N 0 1 294.351 2.568 20 5 CFBDMN C[C@H](NCc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000531697438 383906389 /nfs/dbraw/zinc/90/63/89/383906389.db2.gz RARKXIQDPNCRMJ-LBPRGKRZSA-N 0 1 286.331 2.938 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000573809879 383995802 /nfs/dbraw/zinc/99/58/02/383995802.db2.gz RXYOBAAAXMIDLC-GVXVVHGQSA-N 0 1 292.335 2.759 20 5 CFBDMN CCOC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267001150 384277778 /nfs/dbraw/zinc/27/77/78/384277778.db2.gz CUUUNRQKOLBEOS-GFCCVEGCSA-N 0 1 296.342 2.982 20 5 CFBDMN C[C@@H](O)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000279739323 384743071 /nfs/dbraw/zinc/74/30/71/384743071.db2.gz KKPUWBVDDFEMGF-DGCLKSJQSA-N 0 1 296.342 2.859 20 5 CFBDMN C[C@H](CO)N(Cc1ccc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000280355188 384988438 /nfs/dbraw/zinc/98/84/38/384988438.db2.gz JIWDODHIENYSGS-LLVKDONJSA-N 0 1 296.342 2.717 20 5 CFBDMN CC(C)n1nccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000280428090 385012687 /nfs/dbraw/zinc/01/26/87/385012687.db2.gz XHOJQLRNIDOPRH-UHFFFAOYSA-N 0 1 274.324 2.662 20 5 CFBDMN CSC1(CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000289224195 197268246 /nfs/dbraw/zinc/26/82/46/197268246.db2.gz XXTHWLLOFCFPQG-UHFFFAOYSA-N 0 1 266.366 2.922 20 5 CFBDMN CC[C@H](O)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282651968 385361543 /nfs/dbraw/zinc/36/15/43/385361543.db2.gz CIYVZMQRAHZIMJ-CABCVRRESA-N 0 1 296.342 2.859 20 5 CFBDMN C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272460259 385542041 /nfs/dbraw/zinc/54/20/41/385542041.db2.gz CDYXVAVXKQONCK-VHSXEESVSA-N 0 1 278.308 2.561 20 5 CFBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000272697884 385590191 /nfs/dbraw/zinc/59/01/91/385590191.db2.gz 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C[C@@H](CC(=O)OC(C)(C)C)NCc1ccccc1[N+](=O)[O-] ZINC000171734220 379388980 /nfs/dbraw/zinc/38/89/80/379388980.db2.gz RKOPVXLYWKAFON-NSHDSACASA-N 0 1 294.351 2.805 20 5 CFBDMN CC[C@H](C)CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000171950502 379450721 /nfs/dbraw/zinc/45/07/21/379450721.db2.gz JVNFTZFJQNBZIP-NSHDSACASA-N 0 1 293.367 2.820 20 5 CFBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)[C@@H]1C ZINC000177878397 380388732 /nfs/dbraw/zinc/38/87/32/380388732.db2.gz AXYHNWNQLATRFZ-JQWIXIFHSA-N 0 1 291.351 2.572 20 5 CFBDMN Cc1nccc(NCc2ccccc2[N+](=O)[O-])c1Cl ZINC000336819436 380683365 /nfs/dbraw/zinc/68/33/65/380683365.db2.gz ZSSABNPYPKEGNN-UHFFFAOYSA-N 0 1 277.711 2.986 20 5 CFBDMN COc1ccc(CN2CCC[C@@](C)(OC)C2)cc1[N+](=O)[O-] ZINC000279257570 194354902 /nfs/dbraw/zinc/35/49/02/194354902.db2.gz HTYDDZXEMPGPMV-OAHLLOKOSA-N 0 1 294.351 2.604 20 5 CFBDMN CO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000353848817 380897373 /nfs/dbraw/zinc/89/73/73/380897373.db2.gz 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CCc1[nH]nc(C(=O)N2CCC[C@@H]2C(C)(C)C)c1[N+](=O)[O-] ZINC000277681366 384373247 /nfs/dbraw/zinc/37/32/47/384373247.db2.gz FRSJXGFIBAQQFP-SNVBAGLBSA-N 0 1 294.355 2.531 20 5 CFBDMN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000267677471 384441470 /nfs/dbraw/zinc/44/14/70/384441470.db2.gz PWIGBPPPLNEDFT-UWVGGRQHSA-N 0 1 275.308 2.824 20 5 CFBDMN CC(C)[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278312229 384525509 /nfs/dbraw/zinc/52/55/09/384525509.db2.gz WXOXQUPZCDOIHX-JTQLQIEISA-N 0 1 281.312 2.979 20 5 CFBDMN O=[N+]([O-])c1ccc(O)cc1CN1Cc2ccccc2C1 ZINC000353391510 285137427 /nfs/dbraw/zinc/13/74/27/285137427.db2.gz CNBBKUYYUZGFOK-UHFFFAOYSA-N 0 1 270.288 2.816 20 5 CFBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000269832139 384876517 /nfs/dbraw/zinc/87/65/17/384876517.db2.gz PVPIAARJWAEZFZ-XQQFMLRXSA-N 0 1 278.352 2.891 20 5 CFBDMN COc1ccc(OCCN2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000280708243 385122639 /nfs/dbraw/zinc/12/26/39/385122639.db2.gz DGAIBXOPCWOLNE-UHFFFAOYSA-N 0 1 292.335 2.634 20 5 CFBDMN C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000271004045 385298508 /nfs/dbraw/zinc/29/85/08/385298508.db2.gz GQDQBLRARJSJID-JMSVASOKSA-N 0 1 278.352 2.606 20 5 CFBDMN C[C@]1(CCCO)CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000271996989 385421832 /nfs/dbraw/zinc/42/18/32/385421832.db2.gz GLSADXXVVPSILV-CYBMUJFWSA-N 0 1 284.381 2.783 20 5 CFBDMN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccnc1 ZINC000284146961 385541647 /nfs/dbraw/zinc/54/16/47/385541647.db2.gz PBMNXTMONIMPFM-QWRGUYRKSA-N 0 1 286.335 2.984 20 5 CFBDMN O=C(N[C@H]1CC12CCCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272567766 385566346 /nfs/dbraw/zinc/56/63/46/385566346.db2.gz OPTKTUXGUJXBPT-ZDUSSCGKSA-N 0 1 290.319 2.753 20 5 CFBDMN CC(C)C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000272697733 385590719 /nfs/dbraw/zinc/59/07/19/385590719.db2.gz SGSBNWTYSYAASU-LLVKDONJSA-N 0 1 292.335 2.809 20 5 CFBDMN Cc1nc([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000286413817 385613275 /nfs/dbraw/zinc/61/32/75/385613275.db2.gz OCGGAHNNZCHWLC-MRVPVSSYSA-N 0 1 261.285 2.503 20 5 CFBDMN CC[C@@H](C)N(CCO)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286741863 385699888 /nfs/dbraw/zinc/69/98/88/385699888.db2.gz CFQXYVOQBGUEHK-SNVBAGLBSA-N 0 1 286.759 2.841 20 5 CFBDMN CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)CCCO1 ZINC000281357574 195210507 /nfs/dbraw/zinc/21/05/07/195210507.db2.gz KZVHKYMNMPSGJZ-AWEZNQCLSA-N 0 1 278.352 2.904 20 5 CFBDMN COc1ccc(CN2CCS[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000192173302 130387215 /nfs/dbraw/zinc/38/72/15/130387215.db2.gz POEJUHSIIDSHEO-LLVKDONJSA-N 0 1 296.392 2.931 20 5 CFBDMN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]2C(F)F)c(Cl)c1 ZINC000342227713 130398991 /nfs/dbraw/zinc/39/89/91/130398991.db2.gz KVHQGODXOHGIFD-PSASIEDQSA-N 0 1 276.670 2.991 20 5 CFBDMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000268999548 132097916 /nfs/dbraw/zinc/09/79/16/132097916.db2.gz TXYBKJZKMJPHIM-KOLCDFICSA-N 0 1 294.355 2.667 20 5 CFBDMN CC1CCC(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000269307172 132152847 /nfs/dbraw/zinc/15/28/47/132152847.db2.gz XHJIWRHNEQZEQQ-UHFFFAOYSA-N 0 1 292.335 2.951 20 5 CFBDMN C[C@@H]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000334032026 393574707 /nfs/dbraw/zinc/57/47/07/393574707.db2.gz COZIKIICLBYTKN-GPCCPHFNSA-N 0 1 292.335 2.855 20 5 CFBDMN CCN(CC)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000046438262 393578203 /nfs/dbraw/zinc/57/82/03/393578203.db2.gz YBVKROSJTSIKPM-UHFFFAOYSA-N 0 1 285.731 2.529 20 5 CFBDMN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccnc1 ZINC000339081937 393816444 /nfs/dbraw/zinc/81/64/44/393816444.db2.gz OGFKCAKWKYYNAY-JTQLQIEISA-N 0 1 273.292 2.546 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@](C)(OC)C1 ZINC000430236068 393971413 /nfs/dbraw/zinc/97/14/13/393971413.db2.gz MTKYATFLEABBMK-HNNXBMFYSA-N 0 1 294.351 2.604 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC1(C)C ZINC000430245333 393972245 /nfs/dbraw/zinc/97/22/45/393972245.db2.gz RUVFIEMOOFHFKL-ZDUSSCGKSA-N 0 1 264.325 2.834 20 5 CFBDMN CC(C)(O)CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000275040461 394045573 /nfs/dbraw/zinc/04/55/73/394045573.db2.gz GMDKLWSUHYFFMV-UHFFFAOYSA-N 0 1 298.770 2.984 20 5 CFBDMN CC[C@]1(CO)CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000275833095 394047604 /nfs/dbraw/zinc/04/76/04/394047604.db2.gz MIBGABZQDBNOPJ-CQSZACIVSA-N 0 1 298.770 2.985 20 5 CFBDMN CCOc1cccc(N2C[C@@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292911322 394278429 /nfs/dbraw/zinc/27/84/29/394278429.db2.gz XMBVIGVFTBELRF-TXEJJXNPSA-N 0 1 293.367 2.522 20 5 CFBDMN CO[C@H]1C[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449630793 394282014 /nfs/dbraw/zinc/28/20/14/394282014.db2.gz JEIYXTKIYBFMQV-GJZGRUSLSA-N 0 1 290.363 2.984 20 5 CFBDMN C[C@@H](NC(C)(C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000545292309 394788348 /nfs/dbraw/zinc/78/83/48/394788348.db2.gz GMXWPKFQXXDSPI-LLVKDONJSA-N 0 1 288.351 2.914 20 5 CFBDMN Cc1cc(N2CCCC[C@H]2c2nnc[nH]2)ccc1[N+](=O)[O-] ZINC000294909024 397633602 /nfs/dbraw/zinc/63/36/02/397633602.db2.gz IBXCRWRGQHZJQH-ZDUSSCGKSA-N 0 1 287.323 2.753 20 5 CFBDMN O=C(NCC12CCC(CC1)C2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356729875 155342458 /nfs/dbraw/zinc/34/24/58/155342458.db2.gz OUTXUTVRWZPOLV-UHFFFAOYSA-N 0 1 290.319 2.611 20 5 CFBDMN C[C@@H](CN(C)Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000355540943 155036332 /nfs/dbraw/zinc/03/63/32/155036332.db2.gz HOJICCIWVMVBIO-LBPRGKRZSA-N 0 1 288.351 2.564 20 5 CFBDMN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000363415725 156175624 /nfs/dbraw/zinc/17/56/24/156175624.db2.gz JLXZCWMBGDCQPF-FRRDWIJNSA-N 0 1 292.335 2.697 20 5 CFBDMN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000363571824 156183680 /nfs/dbraw/zinc/18/36/80/156183680.db2.gz VFQFKHQVLBVPKY-XEZLXBQYSA-N 0 1 292.335 2.553 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CC[C@]3(C2)CCCOC3)cs1 ZINC000367447027 156333873 /nfs/dbraw/zinc/33/38/73/156333873.db2.gz IRJXFPHKOLDXDR-ZDUSSCGKSA-N 0 1 282.365 2.659 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCOC(C)(C)C1 ZINC000373772709 157028707 /nfs/dbraw/zinc/02/87/07/157028707.db2.gz RGQJDJHUMJEFEN-UHFFFAOYSA-N 0 1 294.351 2.604 20 5 CFBDMN O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1F ZINC000374863217 157166350 /nfs/dbraw/zinc/16/63/50/157166350.db2.gz NTAYTYFHJWZEIP-CHWSQXEVSA-N 0 1 294.326 2.592 20 5 CFBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000007378281 170280960 /nfs/dbraw/zinc/28/09/60/170280960.db2.gz JENRSFQRQQESIK-LBPRGKRZSA-N 0 1 291.351 2.798 20 5 CFBDMN O=C(CN1CCCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000007486839 170286951 /nfs/dbraw/zinc/28/69/51/170286951.db2.gz MKTNUDIHQASGGU-UHFFFAOYSA-N 0 1 291.351 2.799 20 5 CFBDMN C[C@@H]1CCCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000408160024 287250619 /nfs/dbraw/zinc/25/06/19/287250619.db2.gz SUMOJVFDFKFIIB-SNVBAGLBSA-N 0 1 278.308 2.705 20 5 CFBDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1 ZINC000035368236 172159848 /nfs/dbraw/zinc/15/98/48/172159848.db2.gz WZLWOLBETXKNLQ-ZANVPECISA-N 0 1 284.743 2.905 20 5 CFBDMN CCC[C@]1(NCc2csc([N+](=O)[O-])c2)CCOC1 ZINC000285493796 196304081 /nfs/dbraw/zinc/30/40/81/196304081.db2.gz IVEHMPKQTKHJJX-LBPRGKRZSA-N 0 1 270.354 2.705 20 5 CFBDMN CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274783797 263030258 /nfs/dbraw/zinc/03/02/58/263030258.db2.gz LDSWFGWAQJQFNZ-TVQRCGJNSA-N 0 1 278.308 2.561 20 5 CFBDMN CCOc1cc(CN2C[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000514644531 266025709 /nfs/dbraw/zinc/02/57/09/266025709.db2.gz OGOQOMSAJFVIEY-STQMWFEESA-N 0 1 276.336 2.978 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000332656720 276041364 /nfs/dbraw/zinc/04/13/64/276041364.db2.gz FEEJWNALNVAXAD-AEJSXWLSSA-N 0 1 294.355 2.558 20 5 CFBDMN CO[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000340769419 277658766 /nfs/dbraw/zinc/65/87/66/277658766.db2.gz CCKQPZMXMHEPAU-GFCCVEGCSA-N 0 1 287.319 2.677 20 5 CFBDMN CC[C@@H](CSC)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339062390 280155773 /nfs/dbraw/zinc/15/57/73/280155773.db2.gz DRRKQBDLNKBWSV-NSHDSACASA-N 0 1 284.381 2.874 20 5 CFBDMN O=[N+]([O-])c1ccc(CCN2CCOCC23CCCC3)cc1 ZINC000270667752 280363044 /nfs/dbraw/zinc/36/30/44/280363044.db2.gz ROUWZMTXPKUSJJ-UHFFFAOYSA-N 0 1 290.363 2.782 20 5 CFBDMN C[C@@H]1C[C@H](CO)CN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000398763222 281208998 /nfs/dbraw/zinc/20/89/98/281208998.db2.gz WQPNUKZWCWETQE-MNOVXSKESA-N 0 1 298.770 2.699 20 5 CFBDMN CC(C)c1nsc(NCCc2cccc([N+](=O)[O-])c2)n1 ZINC000534634654 281488373 /nfs/dbraw/zinc/48/83/73/281488373.db2.gz SNYRPSVDSBCHCR-UHFFFAOYSA-N 0 1 292.364 2.646 20 5 CFBDMN C[C@H](F)CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000560462439 282028441 /nfs/dbraw/zinc/02/84/41/282028441.db2.gz OHKCUXVCYSEOSU-JTQLQIEISA-N 0 1 252.289 2.701 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2C2(O)CC2)c(F)c1 ZINC000563870190 290180080 /nfs/dbraw/zinc/18/00/80/290180080.db2.gz BTDKBURESHEBKW-AWEZNQCLSA-N 0 1 294.326 2.613 20 5 CFBDMN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000565218297 290284045 /nfs/dbraw/zinc/28/40/45/290284045.db2.gz PKADFJULMXKFRE-IINYFYTJSA-N 0 1 286.335 2.666 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](OC(C)C)C1 ZINC000580190077 325014405 /nfs/dbraw/zinc/01/44/05/325014405.db2.gz CZXWARJHKHZXSZ-CQSZACIVSA-N 0 1 294.351 2.603 20 5 CFBDMN CC(C)[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000581991258 325166715 /nfs/dbraw/zinc/16/67/15/325166715.db2.gz JQQOPKABDVTMIY-UHFFFAOYSA-N 0 1 264.325 2.921 20 5 CFBDMN CCCCN(CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000075634299 520474873 /nfs/dbraw/zinc/47/48/73/520474873.db2.gz PRCAWWSGWZPXPQ-UHFFFAOYSA-N 0 1 293.367 2.680 20 5 CFBDMN CCOC1CC(NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000231791911 521652175 /nfs/dbraw/zinc/65/21/75/521652175.db2.gz YISNJIYBRQEFDW-UHFFFAOYSA-N 0 1 284.743 2.905 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000311068029 523274353 /nfs/dbraw/zinc/27/43/53/523274353.db2.gz LDANDDAASVIUKU-UHFFFAOYSA-N 0 1 252.289 2.966 20 5 CFBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC1CCCC1 ZINC000191297580 523390438 /nfs/dbraw/zinc/39/04/38/523390438.db2.gz XXYRZXJGRAVZHC-HNNXBMFYSA-N 0 1 292.379 2.968 20 5 CFBDMN Cc1c(CNCc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000231884437 525724075 /nfs/dbraw/zinc/72/40/75/525724075.db2.gz YZZUIAVCNPBPNX-UHFFFAOYSA-N 0 1 272.304 2.899 20 5 CFBDMN O=[N+]([O-])c1ccc(CNCc2cnn3ccccc23)cc1 ZINC000071373096 527350851 /nfs/dbraw/zinc/35/08/51/527350851.db2.gz FGACPKPWZPSJGT-UHFFFAOYSA-N 0 1 282.303 2.532 20 5 CFBDMN CO[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000746047336 574132009 /nfs/dbraw/zinc/13/20/09/574132009.db2.gz MFPTXVGULLCZNZ-KWQFWETISA-N 0 1 292.257 2.823 20 5 CFBDMN CC[C@@H](C(=O)OCc1ccccc1[N+](=O)[O-])N(CC)CC ZINC000741033708 574278949 /nfs/dbraw/zinc/27/89/49/574278949.db2.gz UERATNMDKLKGCW-ZDUSSCGKSA-N 0 1 294.351 2.758 20 5 CFBDMN COC(C)(C)[C@@H](C)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000932372080 617696712 /nfs/dbraw/zinc/69/67/12/617696712.db2.gz FISWKEYNINDZSO-MRVPVSSYSA-N 0 1 288.294 2.776 20 5 CFBDMN CCC1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000891748964 617737699 /nfs/dbraw/zinc/73/76/99/617737699.db2.gz UKNLYRBFJYIJDI-UHFFFAOYSA-N 0 1 294.351 2.931 20 5 CFBDMN C[C@]1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C=CCC1 ZINC000924406272 617959892 /nfs/dbraw/zinc/95/98/92/617959892.db2.gz AOMCPAOTDNEKTH-AWEZNQCLSA-N 0 1 277.276 2.700 20 5 CFBDMN C[C@]12CSC[C@H]1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000934775633 618127495 /nfs/dbraw/zinc/12/74/95/618127495.db2.gz MMUGVIPHLHNAIU-RISCZKNCSA-N 0 1 296.367 2.919 20 5 CFBDMN COc1c(O)ccc(CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000891454482 618220840 /nfs/dbraw/zinc/22/08/40/618220840.db2.gz OFPSBLGZJZKCHG-UHFFFAOYSA-N 0 1 280.324 2.541 20 5 CFBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@]2(CCOC2)C1 ZINC000832337333 625288762 /nfs/dbraw/zinc/28/87/62/625288762.db2.gz SVEUGDNCZZDMHB-HNNXBMFYSA-N 0 1 294.326 2.736 20 5 CFBDMN CC1(C)COC[C@H]1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000313016360 618972745 /nfs/dbraw/zinc/97/27/45/618972745.db2.gz AYEGGTMTSSAKBK-GFCCVEGCSA-N 0 1 284.743 2.763 20 5 CFBDMN CC[C@H](N[C@@H]1CCC1(OC)OC)c1cccc([N+](=O)[O-])c1 ZINC000925229805 620050788 /nfs/dbraw/zinc/05/07/88/620050788.db2.gz INZBUQSWPHWKNF-UONOGXRCSA-N 0 1 294.351 2.787 20 5 CFBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000263058259 620100420 /nfs/dbraw/zinc/10/04/20/620100420.db2.gz FFHVRKKRQWBUHK-QMMMGPOBSA-N 0 1 298.726 2.686 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NC/C=C/Cl ZINC000898430143 620463211 /nfs/dbraw/zinc/46/32/11/620463211.db2.gz VPGUQWDHDYPWMO-HVUAZKLTSA-N 0 1 252.701 2.924 20 5 CFBDMN C[C@@H](NCc1cnn(CCF)c1)c1ccc([N+](=O)[O-])cc1 ZINC000901657935 620884354 /nfs/dbraw/zinc/88/43/54/620884354.db2.gz VDNLIHJWAIFQLP-LLVKDONJSA-N 0 1 292.314 2.612 20 5 CFBDMN O=C([O-])C[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000902010214 620956982 /nfs/dbraw/zinc/95/69/82/620956982.db2.gz SONXOLXIVNOLGZ-ACVFHECNSA-N 0 1 290.319 2.547 20 5 CFBDMN O=[N+]([O-])CCNCCOc1ccccc1-c1ccccc1 ZINC000905067403 621696996 /nfs/dbraw/zinc/69/69/96/621696996.db2.gz ZKLDTJZUIUSWMA-UHFFFAOYSA-N 0 1 286.331 2.599 20 5 CFBDMN COC[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000081053766 625569284 /nfs/dbraw/zinc/56/92/84/625569284.db2.gz UYWWFAWFNYNUJD-LLVKDONJSA-N 0 1 284.743 2.717 20 5 CFBDMN Cc1nc2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2[nH]1 ZINC000822302428 623075577 /nfs/dbraw/zinc/07/55/77/623075577.db2.gz BMNIIJRMDBZLKT-UHFFFAOYSA-N 0 1 290.323 2.645 20 5 CFBDMN Cc1ccc(-c2noc([C@H]3CCCCN3)n2)cc1[N+](=O)[O-] ZINC000822723167 623160203 /nfs/dbraw/zinc/16/02/03/623160203.db2.gz SHSZSGLCGFXYNB-LLVKDONJSA-N 0 1 288.307 2.768 20 5 CFBDMN CO[C@]1(C)CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000230261397 623268573 /nfs/dbraw/zinc/26/85/73/623268573.db2.gz XDZICSVLFVCVLG-CQSZACIVSA-N 0 1 282.315 2.735 20 5 CFBDMN CC1(C)CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174257188 623405010 /nfs/dbraw/zinc/40/50/10/623405010.db2.gz BRDYLAMTPVSWRN-UHFFFAOYSA-N 0 1 252.289 2.966 20 5 CFBDMN O=[N+]([O-])CCN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000929859944 623977041 /nfs/dbraw/zinc/97/70/41/623977041.db2.gz CMFJERMQMJFOJM-INIZCTEOSA-N 0 1 270.332 2.837 20 5 CFBDMN CSc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000916859917 624288359 /nfs/dbraw/zinc/28/83/59/624288359.db2.gz IVTYZCQVDMGKOW-UHFFFAOYSA-N 0 1 278.289 2.864 20 5 CFBDMN CC(C)[C@@H](NCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000929205805 624831147 /nfs/dbraw/zinc/83/11/47/624831147.db2.gz VUKKZISYZLMPHL-GFCCVEGCSA-N 0 1 256.733 2.903 20 5 CFBDMN C[C@@H]1[C@@H](c2ccccc2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000175263976 624942571 /nfs/dbraw/zinc/94/25/71/624942571.db2.gz AQLIZVHVBJIWLS-DOMZBBRYSA-N 0 1 286.335 2.627 20 5 CFBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](CO)CC(C)(C)C ZINC000832084864 625219837 /nfs/dbraw/zinc/21/98/37/625219837.db2.gz OCMCBPWGGWBCNA-CYBMUJFWSA-N 0 1 298.358 2.963 20 5 CFBDMN C[C@@H]1CC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H]1C ZINC000770993610 625961876 /nfs/dbraw/zinc/96/18/76/625961876.db2.gz HDXCOXMCLYKNHA-KXUCPTDWSA-N 0 1 266.297 2.904 20 5 CFBDMN O=[N+]([O-])c1cccc(CNCc2cccc3c2OCC3)c1 ZINC000921620337 625998459 /nfs/dbraw/zinc/99/84/59/625998459.db2.gz SNFWEXUNUABFBD-UHFFFAOYSA-N 0 1 284.315 2.820 20 5 CFBDMN Cc1noc(CN2CCCCCCC2)c1[N+](=O)[O-] ZINC000851715097 634483644 /nfs/dbraw/zinc/48/36/44/634483644.db2.gz WTTQMLAWEJWMAW-UHFFFAOYSA-N 0 1 253.302 2.657 20 5 CFBDMN CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCN(C2CC2)C1 ZINC000749320311 626540675 /nfs/dbraw/zinc/54/06/75/626540675.db2.gz LPGPRMCKFLPWPO-JTQLQIEISA-N 0 1 297.305 2.546 20 5 CFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]1CC1CCCCC1 ZINC000839605409 626547735 /nfs/dbraw/zinc/54/77/35/626547735.db2.gz WGIIMAIMUFQYAU-MGPQQGTHSA-N 0 1 280.368 2.613 20 5 CFBDMN CCCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000839603045 626547884 /nfs/dbraw/zinc/54/78/84/626547884.db2.gz NXGZNDTYHVIXBM-JHJVBQTASA-N 0 1 294.351 2.943 20 5 CFBDMN COC(C)(C)CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000758812173 626609621 /nfs/dbraw/zinc/60/96/21/626609621.db2.gz IMHJEODSHORCAP-UHFFFAOYSA-N 0 1 270.304 2.591 20 5 CFBDMN C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)CN1C ZINC000768771933 627370900 /nfs/dbraw/zinc/37/09/00/627370900.db2.gz MCXPHKZOCURHLT-GHMZBOCLSA-N 0 1 297.786 2.773 20 5 CFBDMN C[C@H]1COCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000769455661 627441794 /nfs/dbraw/zinc/44/17/94/627441794.db2.gz GYYRECARWJVTKP-RYWCDNDXSA-N 0 1 276.336 2.576 20 5 CFBDMN COCC1(C)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000773726434 627852112 /nfs/dbraw/zinc/85/21/12/627852112.db2.gz CQYXYDJROFHSHX-UHFFFAOYSA-N 0 1 296.342 2.982 20 5 CFBDMN COC(=O)/C(C)=C/CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775550001 628035978 /nfs/dbraw/zinc/03/59/78/628035978.db2.gz WCMNHJVHOMVBDU-VNKGSWCUSA-N 0 1 292.335 2.673 20 5 CFBDMN Cc1ccsc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000778330440 628297711 /nfs/dbraw/zinc/29/77/11/628297711.db2.gz HQJSIKISYHRQCA-UHFFFAOYSA-N 0 1 266.278 2.650 20 5 CFBDMN C[C@@H](CO)[C@@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852423207 634742517 /nfs/dbraw/zinc/74/25/17/634742517.db2.gz WWHNFBLQWJRXLP-FZMZJTMJSA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1CCO ZINC000852457089 634749496 /nfs/dbraw/zinc/74/94/96/634749496.db2.gz OQCDQKHBQHATTQ-FZMZJTMJSA-N 0 1 296.342 2.717 20 5 CFBDMN Cc1nn(CN(C)[C@@H]2CCC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000794683478 629674729 /nfs/dbraw/zinc/67/47/29/629674729.db2.gz FTMWKVNMWCAJAW-GFCCVEGCSA-N 0 1 280.372 2.876 20 5 CFBDMN O=C(OCC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000797108969 630019428 /nfs/dbraw/zinc/01/94/28/630019428.db2.gz AUDGCBWULBRRAJ-UHFFFAOYSA-N 0 1 264.281 2.516 20 5 CFBDMN CC(C)[C@H](C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])N(C)C ZINC000798819828 630242487 /nfs/dbraw/zinc/24/24/87/630242487.db2.gz KYQOTYYDQVAHEK-BXUZGUMPSA-N 0 1 294.351 2.785 20 5 CFBDMN Cc1cc(COC(=O)[C@H](C(C)C)N(C)C)ccc1[N+](=O)[O-] ZINC000798851325 630246264 /nfs/dbraw/zinc/24/62/64/630246264.db2.gz ZBWKSPANXZNKIF-AWEZNQCLSA-N 0 1 294.351 2.533 20 5 CFBDMN O=C(OCC12CCC(CC1)C2)c1ccc([N+](=O)[O-])[nH]1 ZINC000800459289 630387983 /nfs/dbraw/zinc/38/79/83/630387983.db2.gz BALVLPRQOGGIFN-UHFFFAOYSA-N 0 1 264.281 2.660 20 5 CFBDMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801545220 630455798 /nfs/dbraw/zinc/45/57/98/630455798.db2.gz KXMYOXXDEYPUJC-ZETOZRRWSA-N 0 1 296.342 2.715 20 5 CFBDMN CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cn1 ZINC000803049859 630581531 /nfs/dbraw/zinc/58/15/31/630581531.db2.gz XAPCTAUFANLXRI-LLVKDONJSA-N 0 1 293.254 2.765 20 5 CFBDMN Cc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1[N+](=O)[O-] ZINC000041123498 649989231 /nfs/dbraw/zinc/98/92/31/649989231.db2.gz JCGDHTUJPYZWAE-LLVKDONJSA-N 0 1 276.296 2.609 20 5 CFBDMN CC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC000837365508 631014368 /nfs/dbraw/zinc/01/43/68/631014368.db2.gz QUSQGMOUOGKIFG-UHFFFAOYSA-N 0 1 279.292 2.924 20 5 CFBDMN CSCCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837535501 631059050 /nfs/dbraw/zinc/05/90/50/631059050.db2.gz YKJSKQKLJZEFMF-UHFFFAOYSA-N 0 1 299.348 2.877 20 5 CFBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000840672149 631174165 /nfs/dbraw/zinc/17/41/65/631174165.db2.gz FBRATJBZNWPOSD-WHGOUJPWSA-N 0 1 269.684 2.609 20 5 CFBDMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000840674885 631174193 /nfs/dbraw/zinc/17/41/93/631174193.db2.gz QTWOZBNGPMCZNJ-XXILOJSOSA-N 0 1 283.711 2.652 20 5 CFBDMN CCc1nnc(SCc2cc(F)ccc2[N+](=O)[O-])[nH]1 ZINC000042154892 649995760 /nfs/dbraw/zinc/99/57/60/649995760.db2.gz BZDAIKJDCVDBSK-UHFFFAOYSA-N 0 1 282.300 2.707 20 5 CFBDMN CCc1n[nH]c(SCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000042154892 649995762 /nfs/dbraw/zinc/99/57/62/649995762.db2.gz BZDAIKJDCVDBSK-UHFFFAOYSA-N 0 1 282.300 2.707 20 5 CFBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000841165261 631351887 /nfs/dbraw/zinc/35/18/87/631351887.db2.gz SQIHXHVJMYFADD-UTUOFQBUSA-N 0 1 283.711 3.000 20 5 CFBDMN CC[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(C)ccc1OC ZINC000841170392 631352319 /nfs/dbraw/zinc/35/23/19/631352319.db2.gz FEERVPNVKLWEIR-RTXFEEFZSA-N 0 1 293.319 2.663 20 5 CFBDMN Cc1c(Cc2nc([C@@H](N)C(C)C)no2)cccc1[N+](=O)[O-] ZINC000843150928 631863138 /nfs/dbraw/zinc/86/31/38/631863138.db2.gz WQDBIYZANJNKPT-ZDUSSCGKSA-N 0 1 290.323 2.533 20 5 CFBDMN O=C(N[C@H](C1CCC1)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000843715525 632037332 /nfs/dbraw/zinc/03/73/32/632037332.db2.gz GLECPGVILUTLKO-MCIONIFRSA-N 0 1 280.368 2.517 20 5 CFBDMN CC(C)c1ccc(C(C)(C)NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000840325096 632104507 /nfs/dbraw/zinc/10/45/07/632104507.db2.gz OPTRIGBFDQXVEX-ZIAGYGMSSA-N 0 1 290.363 2.827 20 5 CFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000844099700 632118738 /nfs/dbraw/zinc/11/87/38/632118738.db2.gz AKAXWFZXAJATDL-KFWWJZLASA-N 0 1 298.342 2.572 20 5 CFBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817198707 632569509 /nfs/dbraw/zinc/56/95/09/632569509.db2.gz NPLQWCRZXIAMHJ-AXFHLTTASA-N 0 1 291.303 2.780 20 5 CFBDMN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000846246957 632672977 /nfs/dbraw/zinc/67/29/77/632672977.db2.gz MVCCZJXJOZUHLC-SNVBAGLBSA-N 0 1 292.335 2.913 20 5 CFBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCC1 ZINC000847801514 633079477 /nfs/dbraw/zinc/07/94/77/633079477.db2.gz OUEHXRUSHOBZSB-MRVPVSSYSA-N 0 1 252.270 2.658 20 5 CFBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1CO ZINC000857061700 635922336 /nfs/dbraw/zinc/92/23/36/635922336.db2.gz ULDCGQBJAZKDQO-ZYHUDNBSSA-N 0 1 298.770 2.699 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C=CCC1 ZINC000850508800 634023807 /nfs/dbraw/zinc/02/38/07/634023807.db2.gz OKPBIFRJERBIGJ-WDEREUQCSA-N 0 1 262.309 2.973 20 5 CFBDMN C[C@H](Cc1ccsc1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851145331 634247522 /nfs/dbraw/zinc/24/75/22/634247522.db2.gz NRBWAYHKXMUUDG-MRVPVSSYSA-N 0 1 280.305 2.772 20 5 CFBDMN CC[C@@H](NC)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000854159462 635235647 /nfs/dbraw/zinc/23/56/47/635235647.db2.gz CHZSEHWVVIBTAD-SNVBAGLBSA-N 0 1 276.296 2.624 20 5 CFBDMN CCO[C@@]1(C)C[C@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862488102 637402206 /nfs/dbraw/zinc/40/22/06/637402206.db2.gz ZQDBOLWQQCFPKM-OLZOCXBDSA-N 0 1 284.743 2.905 20 5 CFBDMN Cc1nn(CN2CCCC3(CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000863329480 637629082 /nfs/dbraw/zinc/62/90/82/637629082.db2.gz BYRACPXRPFHOAT-UHFFFAOYSA-N 0 1 278.356 2.632 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1N1CC(N2CCCC2)C1 ZINC000865937643 638667281 /nfs/dbraw/zinc/66/72/81/638667281.db2.gz XLENGAHQLVSOOH-UHFFFAOYSA-N 0 1 281.743 2.533 20 5 CFBDMN CCCN(C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121136294 638852230 /nfs/dbraw/zinc/85/22/30/638852230.db2.gz SOIRTAUDLYWGJC-UHFFFAOYSA-N 0 1 262.313 2.552 20 5 CFBDMN CC(C)C[C@@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872025108 641556950 /nfs/dbraw/zinc/55/69/50/641556950.db2.gz ZIOHDOXDBUKURJ-QWRGUYRKSA-N 0 1 284.331 2.792 20 5 CFBDMN C[C@H](N[C@H](CCO)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049562 641583294 /nfs/dbraw/zinc/58/32/94/641583294.db2.gz STGDBRQQHSEHFU-JOYOIKCWSA-N 0 1 282.315 2.546 20 5 CFBDMN CO[C@H]1C[C@H](N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872089758 641623532 /nfs/dbraw/zinc/62/35/32/641623532.db2.gz DLVMDNFPMPQQPV-GUBZILKMSA-N 0 1 268.288 2.562 20 5 CFBDMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCCC2)cc1[N+](=O)[O-] ZINC000872162795 641684264 /nfs/dbraw/zinc/68/42/64/641684264.db2.gz WTLRLXLVFBKYHF-UHFFFAOYSA-N 0 1 292.335 2.732 20 5 CFBDMN O=[N+]([O-])c1cccc2c1CCN(CCC[C@@H]1CCO1)C2 ZINC000876739855 642987978 /nfs/dbraw/zinc/98/79/78/642987978.db2.gz KJWKRFYAYPTOOP-CYBMUJFWSA-N 0 1 276.336 2.522 20 5 CFBDMN Cc1ccc(CN2CCC(C(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000877754798 643533713 /nfs/dbraw/zinc/53/37/13/643533713.db2.gz TVDOOAMABVSFCV-UHFFFAOYSA-N 0 1 292.379 2.886 20 5 CFBDMN CCCCN(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000877900291 643630673 /nfs/dbraw/zinc/63/06/73/643630673.db2.gz IDPNMVSFLOTVAD-UHFFFAOYSA-N 0 1 290.323 2.877 20 5 CFBDMN COc1ccc(CN2C[C@H](OC)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000879322522 644227888 /nfs/dbraw/zinc/22/78/88/644227888.db2.gz WLFSFIMLBBNETE-DGCLKSJQSA-N 0 1 294.351 2.603 20 5 CFBDMN CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000879324716 644231438 /nfs/dbraw/zinc/23/14/38/644231438.db2.gz FGLIZNPVKCYBRU-JSGCOSHPSA-N 0 1 278.352 2.903 20 5 CFBDMN CO[C@H]1CC[C@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000879324716 644231440 /nfs/dbraw/zinc/23/14/40/644231440.db2.gz FGLIZNPVKCYBRU-JSGCOSHPSA-N 0 1 278.352 2.903 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1C[C@H](OC)CC[C@H]1C ZINC000879328178 644233552 /nfs/dbraw/zinc/23/35/52/644233552.db2.gz YJAOIGCJRPZFHN-BXUZGUMPSA-N 0 1 294.351 2.603 20 5 CFBDMN C[C@H]1CCN[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000127934880 644378681 /nfs/dbraw/zinc/37/86/81/644378681.db2.gz IBSFIRQHGHICPZ-JOYOIKCWSA-N 0 1 288.307 2.705 20 5 CFBDMN CC(C)(O)[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000879962629 644478715 /nfs/dbraw/zinc/47/87/15/644478715.db2.gz VFZCUXNGFPQNEK-LLVKDONJSA-N 0 1 296.342 2.717 20 5 CFBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000886268898 646942506 /nfs/dbraw/zinc/94/25/06/646942506.db2.gz FHYBPKPQAQMDSJ-GFCCVEGCSA-N 0 1 283.278 2.611 20 5 CFBDMN Cc1c(CN[C@@H](C)c2ccnnc2)cccc1[N+](=O)[O-] ZINC000926271789 648452771 /nfs/dbraw/zinc/45/27/71/648452771.db2.gz SRQJGQGCLMTTKQ-NSHDSACASA-N 0 1 272.308 2.544 20 5 CFBDMN CC(C)(C)OCc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000928390720 648905384 /nfs/dbraw/zinc/90/53/84/648905384.db2.gz WMFVLDMXOUWMCS-DGCLKSJQSA-N 0 1 292.335 2.605 20 5 CFBDMN C[C@@H]1C[C@H]1[C@@H](NCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000930239241 649212072 /nfs/dbraw/zinc/21/20/72/649212072.db2.gz UZFAMUPEZHZBRN-WQAKAFBOSA-N 0 1 268.744 2.903 20 5 CFBDMN Cc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)nn1 ZINC000930593075 649282482 /nfs/dbraw/zinc/28/24/82/649282482.db2.gz 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C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000278207430 384499415 /nfs/dbraw/zinc/49/94/15/384499415.db2.gz JTLSOLTYSCRUJE-NXEZZACHSA-N 0 1 279.296 2.591 20 5 CFBDMN CC1=CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000270353948 385067416 /nfs/dbraw/zinc/06/74/16/385067416.db2.gz QHTYOBNOCFGMQV-UHFFFAOYSA-N 0 1 262.309 2.626 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364991810 285160892 /nfs/dbraw/zinc/16/08/92/285160892.db2.gz LRYZSBCSYRSWEC-XJKSGUPXSA-N 0 1 298.342 2.905 20 5 CFBDMN Cc1nc([C@H](C)Nc2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000286219386 385573144 /nfs/dbraw/zinc/57/31/44/385573144.db2.gz BRYUZJOFYGQSPQ-LURJTMIESA-N 0 1 281.703 2.848 20 5 CFBDMN CCC(C)(C)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274663341 385844670 /nfs/dbraw/zinc/84/46/70/385844670.db2.gz FJHHJDZOVUPRGW-UHFFFAOYSA-N 0 1 266.297 2.561 20 5 CFBDMN CSCCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274929248 385897947 /nfs/dbraw/zinc/89/79/47/385897947.db2.gz XBUFVTWZQLEUEU-UHFFFAOYSA-N 0 1 298.364 2.564 20 5 CFBDMN CC(C)(C)[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274839588 385881558 /nfs/dbraw/zinc/88/15/58/385881558.db2.gz FACKGRUHMOTYNW-CYBMUJFWSA-N 0 1 292.335 2.951 20 5 CFBDMN CC(C)=CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000276706173 386020293 /nfs/dbraw/zinc/02/02/93/386020293.db2.gz OUZXLNFAAPWQIO-UHFFFAOYSA-N 0 1 288.307 2.557 20 5 CFBDMN C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000288499102 197094976 /nfs/dbraw/zinc/09/49/76/197094976.db2.gz HXGGHEXCNHFDOJ-QMTHXVAHSA-N 0 1 292.360 2.868 20 5 CFBDMN CCOc1cc(CN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000276880998 386069077 /nfs/dbraw/zinc/06/90/77/386069077.db2.gz ITGOBUQZNWANPT-UHFFFAOYSA-N 0 1 250.298 2.588 20 5 CFBDMN O=[N+]([O-])c1ccccc1N1CCN(CCCCCF)CC1 ZINC000341829242 130061952 /nfs/dbraw/zinc/06/19/52/130061952.db2.gz AKJAXHTYMWQJKQ-UHFFFAOYSA-N 0 1 295.358 2.857 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CCCCC[C@@H]2CCO)cs1 ZINC000342055292 130224857 /nfs/dbraw/zinc/22/48/57/130224857.db2.gz APOZZWDUWUPMPZ-GFCCVEGCSA-N 0 1 284.381 2.783 20 5 CFBDMN Cc1ccc([C@@H](C)NCc2ccnc(N)c2)cc1[N+](=O)[O-] ZINC000191609331 130261751 /nfs/dbraw/zinc/26/17/51/130261751.db2.gz DXNWIOIWHRIGJI-LLVKDONJSA-N 0 1 286.335 2.731 20 5 CFBDMN COc1cc(CNCC=C(C)C)c([N+](=O)[O-])cc1OC ZINC000191628625 130266844 /nfs/dbraw/zinc/26/68/44/130266844.db2.gz MWRDDVBYUCQTOP-UHFFFAOYSA-N 0 1 280.324 2.668 20 5 CFBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H]1C ZINC000248340462 131113341 /nfs/dbraw/zinc/11/33/41/131113341.db2.gz IOQPZPPMZSYDFQ-WOPDTQHZSA-N 0 1 291.351 2.652 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C)[C@H]1C ZINC000248347922 131115251 /nfs/dbraw/zinc/11/52/51/131115251.db2.gz NYXSHNAERDONJO-ZYHUDNBSSA-N 0 1 291.351 2.572 20 5 CFBDMN Cc1cc(N[C@H]2CCCc3cn[nH]c32)ncc1[N+](=O)[O-] ZINC000268882726 132082775 /nfs/dbraw/zinc/08/27/75/132082775.db2.gz WSNSLEHIKYZTPB-JTQLQIEISA-N 0 1 273.296 2.511 20 5 CFBDMN CCSCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606458 393763691 /nfs/dbraw/zinc/76/36/91/393763691.db2.gz PQNMNSIEXZWZIY-UHFFFAOYSA-N 0 1 266.366 2.706 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424412840 393843914 /nfs/dbraw/zinc/84/39/14/393843914.db2.gz DSTYQEAZQIGTBK-IINYFYTJSA-N 0 1 292.335 2.588 20 5 CFBDMN CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246260211 393857293 /nfs/dbraw/zinc/85/72/93/393857293.db2.gz QQFOFQPWNLPXBF-VXGBXAGGSA-N 0 1 291.351 2.654 20 5 CFBDMN CC(C)c1ccc(CN2C[C@@H](O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000471805145 393917551 /nfs/dbraw/zinc/91/75/51/393917551.db2.gz PQSNGQQNHDWWFV-YPMHNXCESA-N 0 1 278.352 2.673 20 5 CFBDMN C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000123207817 393978186 /nfs/dbraw/zinc/97/81/86/393978186.db2.gz AZOYHASEPAAGPW-PHIMTYICSA-N 0 1 292.335 2.834 20 5 CFBDMN C[C@@H]1CC[C@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000123207817 393978192 /nfs/dbraw/zinc/97/81/92/393978192.db2.gz AZOYHASEPAAGPW-PHIMTYICSA-N 0 1 292.335 2.834 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000269488653 394004639 /nfs/dbraw/zinc/00/46/39/394004639.db2.gz XGISMYZTQWPCJI-NXEZZACHSA-N 0 1 294.355 2.844 20 5 CFBDMN COC[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493129505 394157674 /nfs/dbraw/zinc/15/76/74/394157674.db2.gz FULLIRAWKVSUKA-JTQLQIEISA-N 0 1 284.743 2.717 20 5 CFBDMN CO[C@H]1C[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000449630789 394282412 /nfs/dbraw/zinc/28/24/12/394282412.db2.gz JEIYXTKIYBFMQV-CABCVRRESA-N 0 1 290.363 2.984 20 5 CFBDMN CCOc1cc(CN2[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000547769051 394888529 /nfs/dbraw/zinc/88/85/29/394888529.db2.gz ISDXMGLNAYFPGK-QWRGUYRKSA-N 0 1 264.325 2.976 20 5 CFBDMN CN(CCc1cccc([N+](=O)[O-])c1)CC1(F)CC1 ZINC000555340229 394972226 /nfs/dbraw/zinc/97/22/26/394972226.db2.gz UJFCFZZKMRVGEY-UHFFFAOYSA-N 0 1 252.289 2.571 20 5 CFBDMN C[C@H](c1ccco1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356338137 155231609 /nfs/dbraw/zinc/23/16/09/155231609.db2.gz KYZOKYTWYVXQEJ-SECBINFHSA-N 0 1 290.275 2.727 20 5 CFBDMN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC2[N+](=O)[O-])o1 ZINC000363571821 292229624 /nfs/dbraw/zinc/22/96/24/292229624.db2.gz VFQFKHQVLBVPKY-IXOXFDKPSA-N 0 1 292.335 2.553 20 5 CFBDMN Cc1cnc(NCCc2ccc3cn[nH]c3c2)c([N+](=O)[O-])c1 ZINC000343054681 154098301 /nfs/dbraw/zinc/09/83/01/154098301.db2.gz WDXAXMNCKCMZHH-UHFFFAOYSA-N 0 1 297.318 2.829 20 5 CFBDMN O=[N+]([O-])c1cccnc1NCCc1ccc2cn[nH]c2c1 ZINC000343082555 154108122 /nfs/dbraw/zinc/10/81/22/154108122.db2.gz WINCCQMJGITZTP-UHFFFAOYSA-N 0 1 283.291 2.521 20 5 CFBDMN CCCCCN(Cc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000355785843 155086242 /nfs/dbraw/zinc/08/62/42/155086242.db2.gz MCWYSXBEWASOBZ-UHFFFAOYSA-N 0 1 268.361 2.729 20 5 CFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000374045172 157061887 /nfs/dbraw/zinc/06/18/87/157061887.db2.gz WOQPEZIYCXNDLB-MCIONIFRSA-N 0 1 292.310 2.545 20 5 CFBDMN C[C@@H]1CC[C@H](C)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000408157494 157382638 /nfs/dbraw/zinc/38/26/38/157382638.db2.gz CVPPCNFZPRVJIQ-ZJUUUORDSA-N 0 1 278.308 2.561 20 5 CFBDMN C[C@H](C1CCC1)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339064571 298263273 /nfs/dbraw/zinc/26/32/73/298263273.db2.gz MRTRNIOTNLIQES-SNVBAGLBSA-N 0 1 264.325 2.921 20 5 CFBDMN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccoc1 ZINC000345102412 162179883 /nfs/dbraw/zinc/17/98/83/162179883.db2.gz ZXSMGHBMPALETP-UHFFFAOYSA-N 0 1 276.292 2.699 20 5 CFBDMN CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000345174290 162194968 /nfs/dbraw/zinc/19/49/68/162194968.db2.gz ONXFAIBWRFCNPR-NEPJUHHUSA-N 0 1 293.367 2.522 20 5 CFBDMN CCCN(CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000346343322 162389085 /nfs/dbraw/zinc/38/90/85/162389085.db2.gz HDHYGLASMIQCBM-UHFFFAOYSA-N 0 1 279.340 2.574 20 5 CFBDMN COc1cc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347562445 162724852 /nfs/dbraw/zinc/72/48/52/162724852.db2.gz OHUANDZMKJWELN-NSHDSACASA-N 0 1 287.319 2.849 20 5 CFBDMN CCOc1cc(CN2C[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000514644530 266025427 /nfs/dbraw/zinc/02/54/27/266025427.db2.gz OGOQOMSAJFVIEY-QWHCGFSZSA-N 0 1 276.336 2.978 20 5 CFBDMN O=[N+]([O-])c1ccc(CNCC2=CCOCC2)c(Cl)c1 ZINC000397780863 270319345 /nfs/dbraw/zinc/31/93/45/270319345.db2.gz VSIKSJISWGOGGT-UHFFFAOYSA-N 0 1 282.727 2.685 20 5 CFBDMN Cc1cc(N2CCN(CC(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000359838224 274706702 /nfs/dbraw/zinc/70/67/02/274706702.db2.gz JCMWSCKXZUDOBU-UHFFFAOYSA-N 0 1 295.358 2.820 20 5 CFBDMN O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000266231209 275033303 /nfs/dbraw/zinc/03/33/03/275033303.db2.gz JMBLNGQZMRMEJR-GFCCVEGCSA-N 0 1 293.754 2.699 20 5 CFBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@]2(CCOC2)C1 ZINC000493338001 275039352 /nfs/dbraw/zinc/03/93/52/275039352.db2.gz QGQZCGYQLAKBHO-CQSZACIVSA-N 0 1 296.754 2.861 20 5 CFBDMN CC1=C(C)CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000280327401 276177017 /nfs/dbraw/zinc/17/70/17/276177017.db2.gz ZFVWMVGIISGOEB-UHFFFAOYSA-N 0 1 292.339 2.624 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000271026713 278000727 /nfs/dbraw/zinc/00/07/27/278000727.db2.gz ZVYBYBPSVOBYQA-VHSXEESVSA-N 0 1 294.355 2.559 20 5 CFBDMN C[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000248333902 281019234 /nfs/dbraw/zinc/01/92/34/281019234.db2.gz FXNPNDRCBFOKOO-MNOVXSKESA-N 0 1 292.335 2.692 20 5 CFBDMN Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)[nH]c2c1 ZINC000344481797 281160814 /nfs/dbraw/zinc/16/08/14/281160814.db2.gz IEYVHTLLSRQMLQ-UHFFFAOYSA-N 0 1 286.247 2.625 20 5 CFBDMN Cc1cc(C)c(CNCc2cccc([N+](=O)[O-])c2)cn1 ZINC000396982109 281200020 /nfs/dbraw/zinc/20/00/20/281200020.db2.gz OLJQPDWDEAYGCL-UHFFFAOYSA-N 0 1 271.320 2.896 20 5 CFBDMN CCO[C@@H]1C[C@H]1NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000562467946 290045771 /nfs/dbraw/zinc/04/57/71/290045771.db2.gz KSBYDCYDUDAAKS-UKRRQHHQSA-N 0 1 278.352 2.985 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1CN(C(C)C)[C@H]1CCOC1 ZINC000291833749 295255125 /nfs/dbraw/zinc/25/51/25/295255125.db2.gz OGOVNXGTOUWFHD-AWEZNQCLSA-N 0 1 294.351 2.603 20 5 CFBDMN CC(C)C(C)(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000580967782 325079587 /nfs/dbraw/zinc/07/95/87/325079587.db2.gz LMXYCHLAFBAWSQ-UHFFFAOYSA-N 0 1 290.323 2.636 20 5 CFBDMN Cc1cc(NCC(C)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000582619686 325220818 /nfs/dbraw/zinc/22/08/18/325220818.db2.gz UTRGWKSTEXKAGM-UHFFFAOYSA-N 0 1 281.262 2.940 20 5 CFBDMN CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000049480395 521514190 /nfs/dbraw/zinc/51/41/90/521514190.db2.gz JHUQTDTYSNRLPH-LLVKDONJSA-N 0 1 279.340 2.572 20 5 CFBDMN O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000426820376 534515470 /nfs/dbraw/zinc/51/54/70/534515470.db2.gz KZANVXISRUSATI-LBPRGKRZSA-N 0 1 292.316 2.572 20 5 CFBDMN CCCn1cc(CNCc2cccc([N+](=O)[O-])c2C)cn1 ZINC000233424719 521652981 /nfs/dbraw/zinc/65/29/81/521652981.db2.gz LMEBOMJQMYOPRL-UHFFFAOYSA-N 0 1 288.351 2.800 20 5 CFBDMN CC[C@H](CSC)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356780319 522269428 /nfs/dbraw/zinc/26/94/28/522269428.db2.gz NLTXAVVGLZAPIZ-SNVBAGLBSA-N 0 1 298.364 2.514 20 5 CFBDMN C[C@H]1CCC[C@H](C)C1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000334029790 524181571 /nfs/dbraw/zinc/18/15/71/524181571.db2.gz NZEYOIXSXARRQV-UWVGGRQHSA-N 0 1 292.335 2.855 20 5 CFBDMN C[C@@H]1CCC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H]1C ZINC000334032028 524312763 /nfs/dbraw/zinc/31/27/63/524312763.db2.gz COZIKIICLBYTKN-ISTVAULSSA-N 0 1 292.335 2.855 20 5 CFBDMN C[C@@H](CO)N(Cc1c(F)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361483457 524789465 /nfs/dbraw/zinc/78/94/65/524789465.db2.gz DOBAGOOOQUNIFV-NSHDSACASA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000222909922 525458495 /nfs/dbraw/zinc/45/84/95/525458495.db2.gz SDNYWQIIMVYIMQ-JTQLQIEISA-N 0 1 275.283 2.980 20 5 CFBDMN Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000339384295 525558416 /nfs/dbraw/zinc/55/84/16/525558416.db2.gz DGRLRGRKBHSKAR-LBPRGKRZSA-N 0 1 290.323 2.999 20 5 CFBDMN Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000366550621 525758986 /nfs/dbraw/zinc/75/89/86/525758986.db2.gz GMGZYQKGWLVHHE-HIFRSBDPSA-N 0 1 297.314 2.661 20 5 CFBDMN Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339392171 525821142 /nfs/dbraw/zinc/82/11/42/525821142.db2.gz LZRAJYRDKWLYQM-NSHDSACASA-N 0 1 290.323 2.999 20 5 CFBDMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000339387276 526054788 /nfs/dbraw/zinc/05/47/88/526054788.db2.gz JTCQVKZYTSVVSV-NSHDSACASA-N 0 1 290.323 2.999 20 5 CFBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc([N+](=O)[O-])nc1 ZINC000444876110 536456247 /nfs/dbraw/zinc/45/62/47/536456247.db2.gz MWWJQCZCADHVHU-UHFFFAOYSA-N 0 1 289.339 2.647 20 5 CFBDMN O=[N+]([O-])c1cccc(CNc2cc3c(cn2)CCC3)c1 ZINC000339552094 527386008 /nfs/dbraw/zinc/38/60/08/527386008.db2.gz 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Cc1nn(CN2CC[C@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000853555309 635035970 /nfs/dbraw/zinc/03/59/70/635035970.db2.gz VLSCONFVHKUHFQ-AWEZNQCLSA-N 0 1 292.383 2.959 20 5 CFBDMN Cc1nn(CN2CC[C@H]3C[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000853577584 635040976 /nfs/dbraw/zinc/04/09/76/635040976.db2.gz UGDDDDRTTPHBNP-RYUDHWBXSA-N 0 1 286.335 2.552 20 5 CFBDMN Cc1nn(CN(CCC2CC2)CC2CC2)c(C)c1[N+](=O)[O-] ZINC000853604769 635046817 /nfs/dbraw/zinc/04/68/17/635046817.db2.gz WUZKKSCNTVODGH-UHFFFAOYSA-N 0 1 292.383 2.878 20 5 CFBDMN CCC[C@@H](OCC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000859837936 636719115 /nfs/dbraw/zinc/71/91/15/636719115.db2.gz LXYYXLRYEJWHJM-CYBMUJFWSA-N 0 1 297.307 2.549 20 5 CFBDMN Cc1[nH]ncc1CN(C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000865901089 638650047 /nfs/dbraw/zinc/65/00/47/638650047.db2.gz LFJSPWLHTMUHJO-UHFFFAOYSA-N 0 1 280.715 2.916 20 5 CFBDMN CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000866112470 638743394 /nfs/dbraw/zinc/74/33/94/638743394.db2.gz CEFTZNWLCBQPCD-UHFFFAOYSA-N 0 1 298.774 2.564 20 5 CFBDMN Cc1nn(CN(C)C2CCC2)c2cc([N+](=O)[O-])ccc12 ZINC000121225978 638874959 /nfs/dbraw/zinc/87/49/59/638874959.db2.gz SAYFWOWJXALOFN-UHFFFAOYSA-N 0 1 274.324 2.695 20 5 CFBDMN C[C@H](NC[C@@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016079 641546893 /nfs/dbraw/zinc/54/68/93/641546893.db2.gz DJQMYEMRVCZTFL-UWVGGRQHSA-N 0 1 268.288 2.564 20 5 CFBDMN C[C@@H](N[C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032827 641563434 /nfs/dbraw/zinc/56/34/34/641563434.db2.gz ALUCBCQGLCKOJN-ZJUUUORDSA-N 0 1 268.288 2.564 20 5 CFBDMN CCc1cc(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872036119 641568589 /nfs/dbraw/zinc/56/85/89/641568589.db2.gz RWSCQNJBOYJCJJ-SECBINFHSA-N 0 1 292.314 2.870 20 5 CFBDMN CCC[C@H](O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872036646 641570044 /nfs/dbraw/zinc/57/00/44/641570044.db2.gz UHIOQNYFTSBJLM-UWVGGRQHSA-N 0 1 270.304 2.546 20 5 CFBDMN CC[C@H](COC)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037654 641571233 /nfs/dbraw/zinc/57/12/33/641571233.db2.gz HJURBKPODZJWHS-VHSXEESVSA-N 0 1 270.304 2.810 20 5 CFBDMN C[C@@H](N[C@@H]1CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872046949 641581319 /nfs/dbraw/zinc/58/13/19/641581319.db2.gz AAJIUCMNSUYEAE-RKDXNWHRSA-N 0 1 270.329 2.890 20 5 CFBDMN CC[C@H](O)CCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872049738 641584144 /nfs/dbraw/zinc/58/41/44/641584144.db2.gz UWLJABYURXKVRG-MNOVXSKESA-N 0 1 284.331 2.936 20 5 CFBDMN C[C@H](N[C@@H](CO)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051346 641585065 /nfs/dbraw/zinc/58/50/65/641585065.db2.gz JJZBGQJIGBEBLQ-GXSJLCMTSA-N 0 1 282.315 2.546 20 5 CFBDMN C[C@H](O)C[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872059855 641593271 /nfs/dbraw/zinc/59/32/71/641593271.db2.gz JCOBYAWMWIRFBT-GUBZILKMSA-N 0 1 270.304 2.544 20 5 CFBDMN CO[C@H](C)[C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064294 641597062 /nfs/dbraw/zinc/59/70/62/641597062.db2.gz FJXYXZZPGHSILN-IVZWLZJFSA-N 0 1 270.304 2.808 20 5 CFBDMN C[C@@H](NCCC(C)(C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872074119 641606082 /nfs/dbraw/zinc/60/60/82/641606082.db2.gz BPSMOHFCJHYZRE-SNVBAGLBSA-N 0 1 284.331 2.793 20 5 CFBDMN C[C@H](NC[C@H]1CC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077515 641610326 /nfs/dbraw/zinc/61/03/26/641610326.db2.gz JWXKSCPJBKOTIE-OUAUKWLOSA-N 0 1 282.315 2.952 20 5 CFBDMN C[C@@H](NC[C@@H]1CC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077514 641610573 /nfs/dbraw/zinc/61/05/73/641610573.db2.gz JWXKSCPJBKOTIE-MXWKQRLJSA-N 0 1 282.315 2.952 20 5 CFBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)c(F)c1 ZINC000873155886 642038827 /nfs/dbraw/zinc/03/88/27/642038827.db2.gz HWULTLWCDVVFCJ-XEGUGMAKSA-N 0 1 294.326 2.781 20 5 CFBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000086784079 650797112 /nfs/dbraw/zinc/79/71/12/650797112.db2.gz MEVIFXWRXANSIW-ZDUSSCGKSA-N 0 1 298.364 2.733 20 5 CFBDMN CCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000877982851 643678151 /nfs/dbraw/zinc/67/81/51/643678151.db2.gz CEHKBMQXGNERPJ-UHFFFAOYSA-N 0 1 290.323 2.875 20 5 CFBDMN CC(C)[C@H](O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000878286219 643821432 /nfs/dbraw/zinc/82/14/32/643821432.db2.gz LKLPXMHFWHQAOD-MRXNPFEDSA-N 0 1 292.379 2.966 20 5 CFBDMN CC(C)[C@H](O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000878286219 643821438 /nfs/dbraw/zinc/82/14/38/643821438.db2.gz LKLPXMHFWHQAOD-MRXNPFEDSA-N 0 1 292.379 2.966 20 5 CFBDMN CC(C)[C@H](O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000878325141 643841298 /nfs/dbraw/zinc/84/12/98/643841298.db2.gz FAXZBRLEISZMDE-MRXNPFEDSA-N 0 1 292.379 2.966 20 5 CFBDMN O=[N+]([O-])c1cc(CN2CCCCC[C@H]2CO)ccc1Cl ZINC000133334423 646074290 /nfs/dbraw/zinc/07/42/90/646074290.db2.gz OPCPIBWKFYZUFN-LBPRGKRZSA-N 0 1 298.770 2.985 20 5 CFBDMN COCC(C)(C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135581839 646554970 /nfs/dbraw/zinc/55/49/70/646554970.db2.gz RGKPIFKWTHZINH-UHFFFAOYSA-N 0 1 272.732 2.763 20 5 CFBDMN CCc1ncc(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000930352671 649236616 /nfs/dbraw/zinc/23/66/16/649236616.db2.gz CKDDDLHLGVSSAK-UHFFFAOYSA-N 0 1 289.335 2.820 20 5 CFBDMN COc1ccc([N+](=O)[O-])cc1Nc1nonc1C1CC1 ZINC001210445157 770285055 /nfs/dbraw/zinc/28/50/55/770285055.db2.gz ZCYQWKPKRWSESY-UHFFFAOYSA-N 0 1 276.252 2.607 20 5 CFBDMN Cc1nc(C)c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000724674058 773240266 /nfs/dbraw/zinc/24/02/66/773240266.db2.gz LURMXNDRWFKCQW-VIFPVBQESA-N 0 1 274.324 2.786 20 5 CFBDMN CC1(C)CC(=O)CC[C@H]1Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225490070 775478180 /nfs/dbraw/zinc/47/81/80/775478180.db2.gz FNVNBXVBMGRJRD-CYBMUJFWSA-N 0 1 279.292 2.827 20 5 CFBDMN CC[N@H+]1CCC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225961846 775649238 /nfs/dbraw/zinc/64/92/38/775649238.db2.gz APDZUTPSKRMOCS-SECBINFHSA-N 0 1 286.278 2.736 20 5 CFBDMN CCN1CCC[C@@H](Oc2c(F)c(F)ccc2[N+](=O)[O-])C1 ZINC001225961846 775649247 /nfs/dbraw/zinc/64/92/47/775649247.db2.gz APDZUTPSKRMOCS-SECBINFHSA-N 0 1 286.278 2.736 20 5 CFBDMN CC(C)[N@H+]1CCC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226008726 775666107 /nfs/dbraw/zinc/66/61/07/775666107.db2.gz HEMAFBIRLUOGLY-NSHDSACASA-N 0 1 282.315 2.986 20 5 CFBDMN CC(C)N1CCC[C@H](Oc2c(F)cccc2[N+](=O)[O-])C1 ZINC001226008726 775666115 /nfs/dbraw/zinc/66/61/15/775666115.db2.gz HEMAFBIRLUOGLY-NSHDSACASA-N 0 1 282.315 2.986 20 5 CFBDMN CCN1CCC(Oc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC001226528882 775860326 /nfs/dbraw/zinc/86/03/26/775860326.db2.gz CERIAGBNRGBZBW-UHFFFAOYSA-N 0 1 292.335 2.661 20 5 CFBDMN Cc1nn(CN(C)[C@@H]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000025484578 776095113 /nfs/dbraw/zinc/09/51/13/776095113.db2.gz AMFZYDSSEZFVGI-GXFFZTMASA-N 0 1 280.372 2.876 20 5 CFBDMN C[N@H+]1CCC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227152872 776117168 /nfs/dbraw/zinc/11/71/68/776117168.db2.gz FHRYAOGNSHFDPX-QMMMGPOBSA-N 0 1 288.706 2.860 20 5 CFBDMN CN1CCC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227152872 776117173 /nfs/dbraw/zinc/11/71/73/776117173.db2.gz FHRYAOGNSHFDPX-QMMMGPOBSA-N 0 1 288.706 2.860 20 5 CFBDMN CC[N@H+]1CC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227152932 776117179 /nfs/dbraw/zinc/11/71/79/776117179.db2.gz GAFPBRPYLGXGNI-QMMMGPOBSA-N 0 1 288.706 2.860 20 5 CFBDMN CCN1CC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227152932 776117182 /nfs/dbraw/zinc/11/71/82/776117182.db2.gz GAFPBRPYLGXGNI-QMMMGPOBSA-N 0 1 288.706 2.860 20 5 CFBDMN C[C@H]1CCCC[C@@H]1Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228602833 776535578 /nfs/dbraw/zinc/53/55/78/776535578.db2.gz FYXLHDVZCHOTMK-WPRPVWTQSA-N 0 1 293.323 2.925 20 5 CFBDMN O=c1[nH]c(C2CC2)nc(O[C@@H]2C[C@H]3CC[C@@H]2C3)c1[N+](=O)[O-] ZINC001228602746 776536173 /nfs/dbraw/zinc/53/61/73/776536173.db2.gz FHORJJZKUPRMNT-FXBDTBDDSA-N 0 1 291.307 2.535 20 5 CFBDMN C[C@H]1CC[C@@H](Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228610038 776538678 /nfs/dbraw/zinc/53/86/78/776538678.db2.gz MGVPGFSXADCCAM-WAAGHKOSSA-N 0 1 293.323 2.925 20 5 CFBDMN CC[C@H](C)C[C@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229380766 776795239 /nfs/dbraw/zinc/79/52/39/776795239.db2.gz KYLVVFAKPFMHGY-WPRPVWTQSA-N 0 1 283.328 2.992 20 5 CFBDMN Cc1nc(O[C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229381653 776796555 /nfs/dbraw/zinc/79/65/55/776796555.db2.gz OFSWLSDHDWBROT-QXFUBDJGSA-N 0 1 281.312 2.602 20 5 CFBDMN C[C@@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1[N+](=O)[O-] ZINC001230018182 776940928 /nfs/dbraw/zinc/94/09/28/776940928.db2.gz PCYRWLWUTJLMJE-SSDOTTSWSA-N 0 1 295.682 2.884 20 5 CFBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC1CC(F)(F)C1 ZINC001230594405 777022331 /nfs/dbraw/zinc/02/23/31/777022331.db2.gz FSWXWCJPKHVRDD-UHFFFAOYSA-N 0 1 269.207 2.648 20 5 CFBDMN COC1=CC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CC1 ZINC001230602219 777022764 /nfs/dbraw/zinc/02/27/64/777022764.db2.gz WTNXWDZITNXUJH-NSHDSACASA-N 0 1 289.291 2.933 20 5 CFBDMN CCN1CCC[C@H](Oc2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001228018222 777997372 /nfs/dbraw/zinc/99/73/72/777997372.db2.gz XENXMHLKPBIVGB-VIFPVBQESA-N 0 1 285.731 2.506 20 5 CFBDMN CC(C)[C@]1(CO)CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351925195 780595999 /nfs/dbraw/zinc/59/59/99/780595999.db2.gz KNHOBQDPTWJRAE-OAHLLOKOSA-N 0 1 296.342 2.574 20 5 CFBDMN Cc1c(C)c(N[C@@]2(C)CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162337919 780773869 /nfs/dbraw/zinc/77/38/69/780773869.db2.gz WESBILZYJKAJRQ-AWEZNQCLSA-N 0 1 278.356 2.503 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](CF)C2)c(F)c1 ZINC000711475570 781442297 /nfs/dbraw/zinc/44/22/97/781442297.db2.gz JHCVIPMCCKETBJ-VIFPVBQESA-N 0 1 256.252 2.525 20 5 CFBDMN C[C@@H]1CCC[C@H](CNCc2csc([N+](=O)[O-])c2)O1 ZINC000594983560 349539243 /nfs/dbraw/zinc/53/92/43/349539243.db2.gz FKIHJHVPYCFTLO-MWLCHTKSSA-N 0 1 270.354 2.704 20 5 CFBDMN C[C@H](N[C@@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000595008071 349545987 /nfs/dbraw/zinc/54/59/87/349545987.db2.gz PIQWGEXAJPALCQ-SMDDNHRTSA-N 0 1 286.335 2.977 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1COCC1(C)C ZINC000595048831 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Cc1noc(CN2[C@H](C)CCC2(C)C)c1[N+](=O)[O-] ZINC000595521311 349650394 /nfs/dbraw/zinc/65/03/94/349650394.db2.gz APKAHDUHZZMBIA-MRVPVSSYSA-N 0 1 253.302 2.654 20 5 CFBDMN Cc1noc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595504671 349644117 /nfs/dbraw/zinc/64/41/17/349644117.db2.gz GHTFDKPETIOBDZ-MNOVXSKESA-N 0 1 279.340 2.902 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](CCO)CC1 ZINC000595545877 349656520 /nfs/dbraw/zinc/65/65/20/349656520.db2.gz KVJOQZWMBUDWBG-LBPRGKRZSA-N 0 1 296.342 2.718 20 5 CFBDMN C[C@H](CO)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000595679745 349697941 /nfs/dbraw/zinc/69/79/41/349697941.db2.gz XNNGAZZDUZFDKU-ABAIWWIYSA-N 0 1 296.342 2.717 20 5 CFBDMN Cc1cccc(NCc2n[nH]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000294989924 199286608 /nfs/dbraw/zinc/28/66/08/199286608.db2.gz QGBOBBGVCSZWRZ-UHFFFAOYSA-N 0 1 275.312 2.757 20 5 CFBDMN Cc1ccc([N+](=O)[O-])c(NCc2n[nH]c(C(C)C)n2)c1 ZINC000295071550 199329834 /nfs/dbraw/zinc/32/98/34/199329834.db2.gz 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CC[C@H](NCc1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000090224358 375006617 /nfs/dbraw/zinc/00/66/17/375006617.db2.gz ZXPLYPOGAUCXCL-HNNXBMFYSA-N 0 1 288.351 2.878 20 5 CFBDMN CC(C)c1ccc(CN2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000092455829 375111370 /nfs/dbraw/zinc/11/13/70/375111370.db2.gz JXRBMIOWCUWPQZ-ZDUSSCGKSA-N 0 1 278.352 2.675 20 5 CFBDMN COCC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774868 375379289 /nfs/dbraw/zinc/37/92/89/375379289.db2.gz CLCKFHKODZIQJW-UHFFFAOYSA-N 0 1 282.315 2.592 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H](n3cccn3)C2)c1 ZINC000102409650 375672485 /nfs/dbraw/zinc/67/24/85/375672485.db2.gz CYGWZTMOCYUNGX-HNNXBMFYSA-N 0 1 286.335 2.628 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](n3cccn3)C2)c1 ZINC000102409652 375672674 /nfs/dbraw/zinc/67/26/74/375672674.db2.gz CYGWZTMOCYUNGX-OAHLLOKOSA-N 0 1 286.335 2.628 20 5 CFBDMN CCCCC1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000119472714 376421197 /nfs/dbraw/zinc/42/11/97/376421197.db2.gz YJFSMKJIMMAKCP-UHFFFAOYSA-N 0 1 294.355 2.797 20 5 CFBDMN C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000121225730 376786599 /nfs/dbraw/zinc/78/65/99/376786599.db2.gz NALFTLNTSQOKAP-LLVKDONJSA-N 0 1 299.330 2.545 20 5 CFBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)C(C)(C)C ZINC000134435030 378014301 /nfs/dbraw/zinc/01/43/01/378014301.db2.gz UKIIYOAWAPNARU-CYBMUJFWSA-N 0 1 284.331 2.573 20 5 CFBDMN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000135120589 378085141 /nfs/dbraw/zinc/08/51/41/378085141.db2.gz LFUCRUDDHVQISL-VHSXEESVSA-N 0 1 294.355 2.653 20 5 CFBDMN CC[C@H](NC[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000151229593 378309935 /nfs/dbraw/zinc/30/99/35/378309935.db2.gz GEPDUHZUQGHXIW-QWRGUYRKSA-N 0 1 292.257 2.559 20 5 CFBDMN CCOc1ccc([C@@H](C)NCC[N@@H+](C)CC)cc1[N+](=O)[O-] ZINC000153266560 378482109 /nfs/dbraw/zinc/48/21/09/378482109.db2.gz FKUGOMFEMLRZMW-GFCCVEGCSA-N 0 1 295.383 2.596 20 5 CFBDMN CSC[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330444189 378557286 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O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633509 618208879 /nfs/dbraw/zinc/20/88/79/618208879.db2.gz PSICKLIDMPTXQP-LLVKDONJSA-N 0 1 298.726 2.687 20 5 CFBDMN O=[N+]([O-])c1ccccc1CNC1([C@H]2CCCCO2)CC1 ZINC000933375548 618214889 /nfs/dbraw/zinc/21/48/89/618214889.db2.gz KTHRKYVKGRDFHK-CQSZACIVSA-N 0 1 276.336 2.786 20 5 CFBDMN CC(C)[C@H](N)c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396840 620805187 /nfs/dbraw/zinc/80/51/87/620805187.db2.gz ZVLZMTYQSHWWKR-ZDUSSCGKSA-N 0 1 261.281 2.906 20 5 CFBDMN O=C(N[C@H]1CCc2cccc3cccc1c32)[C@@H]1CC1[N+](=O)[O-] ZINC000895383033 618560242 /nfs/dbraw/zinc/56/02/42/618560242.db2.gz PFJXQXZXEBVNFL-QLFBSQMISA-N 0 1 296.326 2.609 20 5 CFBDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633552 619041601 /nfs/dbraw/zinc/04/16/01/619041601.db2.gz FFUAACHXXONMGV-ZDUSSCGKSA-N 0 1 298.726 2.687 20 5 CFBDMN COc1cc(C)c([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000841183625 619323415 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O=[N+]([O-])c1ccc(Cl)c(CSc2cn[nH]n2)c1 ZINC000757745507 626561742 /nfs/dbraw/zinc/56/17/42/626561742.db2.gz FIZWNHNFYTUPMQ-UHFFFAOYSA-N 0 1 270.701 2.659 20 5 CFBDMN CCCCC[C@H]1CCCN1Cn1nccc1[N+](=O)[O-] ZINC000767763193 627283378 /nfs/dbraw/zinc/28/33/78/627283378.db2.gz RZAHMUVSUKOFKD-LBPRGKRZSA-N 0 1 266.345 2.794 20 5 CFBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC(CCCO)CC1 ZINC000851920529 634589638 /nfs/dbraw/zinc/58/96/38/634589638.db2.gz BBKYEJKYHFLZPA-UHFFFAOYSA-N 0 1 296.342 2.718 20 5 CFBDMN C[C@H](c1ccco1)N(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776579529 628160403 /nfs/dbraw/zinc/16/04/03/628160403.db2.gz MOAWOBQTATZVPG-RISCZKNCSA-N 0 1 290.319 2.914 20 5 CFBDMN CCN(Cc1ccoc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581317 628160802 /nfs/dbraw/zinc/16/08/02/628160802.db2.gz GUXDWUSQJOIAJK-OAHLLOKOSA-N 0 1 290.319 2.743 20 5 CFBDMN Cc1nn(CN2CCC[C@@H]2CC(C)(C)C)cc1[N+](=O)[O-] ZINC000779860121 628414988 /nfs/dbraw/zinc/41/49/88/628414988.db2.gz TVOJYWKKULCEAP-GFCCVEGCSA-N 0 1 280.372 2.958 20 5 CFBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1O ZINC000780658151 628485862 /nfs/dbraw/zinc/48/58/62/628485862.db2.gz SYJFQZIMDCBTKO-UHFFFAOYSA-N 0 1 288.259 2.567 20 5 CFBDMN Cc1nc(F)ccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000785424315 628882322 /nfs/dbraw/zinc/88/23/22/628882322.db2.gz YHRSQCMYZYPRCT-UHFFFAOYSA-N 0 1 275.283 2.727 20 5 CFBDMN CC(C)(C)[C@@H](NCC[N+](=O)[O-])c1ccc(F)cc1 ZINC000791052482 629284216 /nfs/dbraw/zinc/28/42/16/629284216.db2.gz OHCISFBZGHPFCU-LBPRGKRZSA-N 0 1 254.305 2.779 20 5 CFBDMN C[C@@H](CO)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852424974 634742506 /nfs/dbraw/zinc/74/25/06/634742506.db2.gz HTJFIXHWLQHMGN-FZMZJTMJSA-N 0 1 296.342 2.717 20 5 CFBDMN C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1CCO ZINC000852457088 634750064 /nfs/dbraw/zinc/75/00/64/634750064.db2.gz OQCDQKHBQHATTQ-BXUZGUMPSA-N 0 1 296.342 2.717 20 5 CFBDMN Cc1ccoc1CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000795160677 629740506 /nfs/dbraw/zinc/74/05/06/629740506.db2.gz 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Cc1c(CN(C)C[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000126008482 187210299 /nfs/dbraw/zinc/21/02/99/187210299.db2.gz FOIWZAUNJGAJOK-AWEZNQCLSA-N 0 1 278.352 2.904 20 5 CFBDMN O=[N+]([O-])c1ccc(CN2CCC(c3ccon3)CC2)cc1 ZINC000595831977 349745627 /nfs/dbraw/zinc/74/56/27/349745627.db2.gz GNYANANDJMITBH-UHFFFAOYSA-N 0 1 287.319 2.962 20 5 CFBDMN O=[N+]([O-])c1cccc(CN2CCC(c3ccon3)CC2)c1 ZINC000595837641 349749086 /nfs/dbraw/zinc/74/90/86/349749086.db2.gz PVSUINQPJQYUDV-UHFFFAOYSA-N 0 1 287.319 2.962 20 5 CFBDMN CC/C=C/CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000294989625 199287173 /nfs/dbraw/zinc/28/71/73/199287173.db2.gz HITPXZCHPADYHZ-AATRIKPKSA-N 0 1 280.324 2.668 20 5 CFBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H](C)[C@H](C)C1 ZINC000072869525 346945142 /nfs/dbraw/zinc/94/51/42/346945142.db2.gz KOKJWHUSPCHPNG-TUAOUCFPSA-N 0 1 291.351 2.510 20 5 CFBDMN CO[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295014841 199300972 /nfs/dbraw/zinc/30/09/72/199300972.db2.gz MNZDZIGJSYPDFS-AWEZNQCLSA-N 0 1 278.352 2.842 20 5 CFBDMN CC(C)(C)N1CC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000596306565 349858077 /nfs/dbraw/zinc/85/80/77/349858077.db2.gz GFPZKDIUBKVSNP-VIFPVBQESA-N 0 1 269.370 2.941 20 5 CFBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000016446287 232171871 /nfs/dbraw/zinc/17/18/71/232171871.db2.gz YYILLUDXOMWJBE-NEPJUHHUSA-N 0 1 291.351 2.654 20 5 CFBDMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]1c1cccc(Cl)c1 ZINC000046799085 346434370 /nfs/dbraw/zinc/43/43/70/346434370.db2.gz ASKJNNGHTWTWIU-AGIUHOORSA-N 0 1 294.738 2.669 20 5 CFBDMN CCC[C@@H](C)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000078868186 347277043 /nfs/dbraw/zinc/27/70/43/347277043.db2.gz ZWKZKKSYWLMGBF-GFCCVEGCSA-N 0 1 293.367 2.678 20 5 CFBDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000079488616 347306438 /nfs/dbraw/zinc/30/64/38/347306438.db2.gz MZFBIAZKVMNZPK-CYBMUJFWSA-N 0 1 298.726 2.687 20 5 CFBDMN Cc1ncc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000089513249 347520825 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CCC[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602802617 351031655 /nfs/dbraw/zinc/03/16/55/351031655.db2.gz RQDNGQFGGCJXGX-AWEZNQCLSA-N 0 1 288.351 2.959 20 5 CFBDMN CC(C)/C=C/c1cn(Cc2cc(O)ccc2[N+](=O)[O-])nn1 ZINC000603226933 351121763 /nfs/dbraw/zinc/12/17/63/351121763.db2.gz NMZHIGNEUSDRPQ-ONEGZZNKSA-N 0 1 288.307 2.609 20 5 CFBDMN CN(CCOC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000604482990 351214599 /nfs/dbraw/zinc/21/45/99/351214599.db2.gz KXERUMUTURMCHL-UHFFFAOYSA-N 0 1 266.341 2.842 20 5 CFBDMN CC[C@H](NCc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000610517411 351576227 /nfs/dbraw/zinc/57/62/27/351576227.db2.gz DTGPEMRFRKXJKT-AWEZNQCLSA-N 0 1 274.324 2.867 20 5 CFBDMN CC[C@H](NCc1cc(C)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000610517411 351576230 /nfs/dbraw/zinc/57/62/30/351576230.db2.gz DTGPEMRFRKXJKT-AWEZNQCLSA-N 0 1 274.324 2.867 20 5 CFBDMN O=[N+]([O-])c1ccc(CCN2CC3(C2)CC(F)(F)C3)cc1 ZINC000611180687 351649654 /nfs/dbraw/zinc/64/96/54/351649654.db2.gz PKHKMWILTKDVCL-UHFFFAOYSA-N 0 1 282.290 2.868 20 5 CFBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H](CO)C1CCCCC1 ZINC000611684721 351723247 /nfs/dbraw/zinc/72/32/47/351723247.db2.gz OMTHEUPDQWCQBJ-CQSZACIVSA-N 0 1 296.342 2.765 20 5 CFBDMN CO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000611943525 351754450 /nfs/dbraw/zinc/75/44/50/351754450.db2.gz KRQVIYMCGHKGFY-CYBMUJFWSA-N 0 1 282.315 2.735 20 5 CFBDMN C[C@@H](O)C[C@H]1CCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000123742469 187107374 /nfs/dbraw/zinc/10/73/74/187107374.db2.gz BLCAFDOTUKYIEI-BXUZGUMPSA-N 0 1 296.342 2.859 20 5 CFBDMN CCn1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000271503356 191178157 /nfs/dbraw/zinc/17/81/57/191178157.db2.gz NOIDZFVOUHAQFT-LBPRGKRZSA-N 0 1 288.351 2.970 20 5 CFBDMN CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H](C)CO ZINC000292164070 198187058 /nfs/dbraw/zinc/18/70/58/198187058.db2.gz LEQKUPHEYISVEA-GFCCVEGCSA-N 0 1 296.367 2.585 20 5 CFBDMN CCC(=O)c1ccc(NCc2cc(C)[nH]n2)c([N+](=O)[O-])c1 ZINC000619481516 353028354 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CCC[C@@H](NCC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036781480 372591893 /nfs/dbraw/zinc/59/18/93/372591893.db2.gz GNCNTAHNRCPYCV-CQSZACIVSA-N 0 1 293.367 2.550 20 5 CFBDMN CCC[C@@H](N[C@@H](C)C(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000036793917 372593345 /nfs/dbraw/zinc/59/33/45/372593345.db2.gz FAUAUPAOIKASHM-SMDDNHRTSA-N 0 1 293.367 2.502 20 5 CFBDMN C[C@@H](Cn1ccnc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000037157523 372660567 /nfs/dbraw/zinc/66/05/67/372660567.db2.gz BYEMCPQUBZUOQT-JTQLQIEISA-N 0 1 294.742 2.623 20 5 CFBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1C ZINC000037598611 372670414 /nfs/dbraw/zinc/67/04/14/372670414.db2.gz AUYDBFMXZOKCAC-SNVBAGLBSA-N 0 1 280.324 2.588 20 5 CFBDMN CO[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000050372494 373372237 /nfs/dbraw/zinc/37/22/37/373372237.db2.gz WRLQTTTVBOYCPG-CHWSQXEVSA-N 0 1 284.743 2.905 20 5 CFBDMN COc1ccc(CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000051149553 373388977 /nfs/dbraw/zinc/38/89/77/373388977.db2.gz CWQPDUILJMBOMS-LLVKDONJSA-N 0 1 264.325 2.835 20 5 CFBDMN CC[C@H](C)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000068449929 374029726 /nfs/dbraw/zinc/02/97/26/374029726.db2.gz RBXXKRUPEVEXMO-VIFPVBQESA-N 0 1 299.758 2.917 20 5 CFBDMN CC[C@H](C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000068451178 374030815 /nfs/dbraw/zinc/03/08/15/374030815.db2.gz MZAXNDZNIDCLTH-JTQLQIEISA-N 0 1 290.323 2.875 20 5 CFBDMN CC[C@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000072601538 374268857 /nfs/dbraw/zinc/26/88/57/374268857.db2.gz KCMUEFPINNAPAD-JTQLQIEISA-N 0 1 290.323 2.875 20 5 CFBDMN C[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072876056 374297779 /nfs/dbraw/zinc/29/77/79/374297779.db2.gz OITSMSHJSNGUJV-JTQLQIEISA-N 0 1 288.307 2.629 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCCOC1 ZINC000084440123 374775501 /nfs/dbraw/zinc/77/55/01/374775501.db2.gz URVKSVFXFYBTFA-NSHDSACASA-N 0 1 270.716 2.517 20 5 CFBDMN CCc1nn(C)cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000092371495 375103506 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ZINC000125573996 377173760 /nfs/dbraw/zinc/17/37/60/377173760.db2.gz QLMYBQNVIFPBHZ-UHFFFAOYSA-N 0 1 290.348 2.925 20 5 CFBDMN CC(C)OCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130080370 377507830 /nfs/dbraw/zinc/50/78/30/377507830.db2.gz NLOOCKVTGCJIEO-UHFFFAOYSA-N 0 1 278.352 2.984 20 5 CFBDMN Cc1cc(NCC(C)(C)O)c2cc([N+](=O)[O-])ccc2n1 ZINC000130445660 377558673 /nfs/dbraw/zinc/55/86/73/377558673.db2.gz RCEXYIPIOFSLDN-UHFFFAOYSA-N 0 1 275.308 2.634 20 5 CFBDMN CC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130898538 377627042 /nfs/dbraw/zinc/62/70/42/377627042.db2.gz QYKCKGNPKRRXAD-UHFFFAOYSA-N 0 1 262.309 2.538 20 5 CFBDMN C[C@@H]([C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000131235979 377679414 /nfs/dbraw/zinc/67/94/14/377679414.db2.gz SLAILDBKPOWGHO-UWVGGRQHSA-N 0 1 294.355 2.653 20 5 CFBDMN Cc1cc(C[C@H](C)Nc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000133527328 377937053 /nfs/dbraw/zinc/93/70/53/377937053.db2.gz FEZRXXCTWJRAAN-VIFPVBQESA-N 0 1 260.297 2.669 20 5 CFBDMN CC[C@@H](NC[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000151229755 378309821 /nfs/dbraw/zinc/30/98/21/378309821.db2.gz GEPDUHZUQGHXIW-GHMZBOCLSA-N 0 1 292.257 2.559 20 5 CFBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@]3(CCOC3)C2)c1 ZINC000153971788 378527417 /nfs/dbraw/zinc/52/74/17/378527417.db2.gz FNNQXUORARWWQK-AWEZNQCLSA-N 0 1 296.754 2.861 20 5 CFBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCOC[C@@H](C)C1 ZINC000332297606 378744327 /nfs/dbraw/zinc/74/43/27/378744327.db2.gz URWJKGTYWIZFGH-NWDGAFQWSA-N 0 1 264.325 2.624 20 5 CFBDMN C[C@@H]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332045626 378720453 /nfs/dbraw/zinc/72/04/53/378720453.db2.gz LPABCJZBNQPZGV-GHMZBOCLSA-N 0 1 292.335 2.692 20 5 CFBDMN O=C1CCC(CN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000332525232 378773102 /nfs/dbraw/zinc/77/31/02/378773102.db2.gz RQXISKYIUISYID-UHFFFAOYSA-N 0 1 288.347 2.712 20 5 CFBDMN CC(C)OCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000168954363 379101108 /nfs/dbraw/zinc/10/11/08/379101108.db2.gz 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CC[C@H]1CN(C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000567725132 383306880 /nfs/dbraw/zinc/30/68/80/383306880.db2.gz WAOYBJASBUWJFX-NSHDSACASA-N 0 1 297.786 2.774 20 5 CFBDMN CC(C)c1nc(CSc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000488252797 383510156 /nfs/dbraw/zinc/51/01/56/383510156.db2.gz RJCDDBDIOWZXLR-UHFFFAOYSA-N 0 1 279.325 2.524 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[C@H](C)O1 ZINC000453630720 383893903 /nfs/dbraw/zinc/89/39/03/383893903.db2.gz MMIWHIASHJNWNG-SMDDNHRTSA-N 0 1 294.351 2.651 20 5 CFBDMN CC(C)C(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000438419844 384000616 /nfs/dbraw/zinc/00/06/16/384000616.db2.gz QCQUXKLMPGRBOF-UHFFFAOYSA-N 0 1 280.324 2.712 20 5 CFBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C2CCC1CC2 ZINC000532466918 384033453 /nfs/dbraw/zinc/03/34/53/384033453.db2.gz UZOBBPNGITWGLY-QFWMXSHPSA-N 0 1 289.335 2.549 20 5 CFBDMN O=[N+]([O-])c1ccccc1CN1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000574284665 384072426 /nfs/dbraw/zinc/07/24/26/384072426.db2.gz 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GEYJEYKXTFPWLJ-RYUDHWBXSA-N 0 1 280.372 2.729 20 5 CFBDMN COC(=O)C[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000048739058 393597852 /nfs/dbraw/zinc/59/78/52/393597852.db2.gz TVAKBVZTLYPBPV-CYBMUJFWSA-N 0 1 292.335 2.512 20 5 CFBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC12CC2 ZINC000424188159 393790255 /nfs/dbraw/zinc/79/02/55/393790255.db2.gz XCUZUKROIIHWBD-ZDUSSCGKSA-N 0 1 262.309 2.636 20 5 CFBDMN CO[C@H](CN(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000425420920 393879224 /nfs/dbraw/zinc/87/92/24/393879224.db2.gz NDWBGMJVJBQCIL-MRXNPFEDSA-N 0 1 290.363 2.984 20 5 CFBDMN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000424416695 393844943 /nfs/dbraw/zinc/84/49/43/393844943.db2.gz KXALCXUAKSAUHK-SMDDNHRTSA-N 0 1 292.335 2.588 20 5 CFBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1C ZINC000430200812 393967023 /nfs/dbraw/zinc/96/70/23/393967023.db2.gz HZKJOMNNONAGBJ-NSHDSACASA-N 0 1 264.325 2.978 20 5 CFBDMN C[C@@H]1CC[C@@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000123208238 393977851 /nfs/dbraw/zinc/97/78/51/393977851.db2.gz AZOYHASEPAAGPW-GHMZBOCLSA-N 0 1 292.335 2.834 20 5 CFBDMN C[C@H]1CC[C@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000123208023 393977990 /nfs/dbraw/zinc/97/79/90/393977990.db2.gz AZOYHASEPAAGPW-QWRGUYRKSA-N 0 1 292.335 2.834 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)C(C)C)c1[N+](=O)[O-] ZINC000269355859 394003797 /nfs/dbraw/zinc/00/37/97/394003797.db2.gz HVSUSLNIVHOFAE-VIFPVBQESA-N 0 1 282.344 2.558 20 5 CFBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC000269355857 394003857 /nfs/dbraw/zinc/00/38/57/394003857.db2.gz HVSUSLNIVHOFAE-SECBINFHSA-N 0 1 282.344 2.558 20 5 CFBDMN CC[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420949348 394135475 /nfs/dbraw/zinc/13/54/75/394135475.db2.gz FLHVKNPKOMIYHE-KBPBESRZSA-N 0 1 294.351 2.690 20 5 CFBDMN Cc1cc(N[C@@H]2CN(C)Cc3ccccc32)ncc1[N+](=O)[O-] ZINC000363449807 394195886 /nfs/dbraw/zinc/19/58/86/394195886.db2.gz MPTUOWMUZRJZCZ-CQSZACIVSA-N 0 1 298.346 2.897 20 5 CFBDMN CC(C)c1nsc(NCCc2ccccc2[N+](=O)[O-])n1 ZINC000548382958 394926070 /nfs/dbraw/zinc/92/60/70/394926070.db2.gz NTJHQAKJMRFJRA-UHFFFAOYSA-N 0 1 292.364 2.646 20 5 CFBDMN O=C(NC/C=C/c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356572042 155306495 /nfs/dbraw/zinc/30/64/95/155306495.db2.gz CAGBQJRUECZKBK-QPJJXVBHSA-N 0 1 298.298 2.744 20 5 CFBDMN Cc1c(CN2CCC[C@H]3COC[C@H]32)cccc1[N+](=O)[O-] ZINC000367106855 156283012 /nfs/dbraw/zinc/28/30/12/156283012.db2.gz KTSVPHPGRBLWCQ-DZGCQCFKSA-N 0 1 276.336 2.514 20 5 CFBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000408161885 157382499 /nfs/dbraw/zinc/38/24/99/157382499.db2.gz QRCWGVKVXRSNCO-PHIMTYICSA-N 0 1 290.319 2.563 20 5 CFBDMN CC(C)(C)OC(=O)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000350340368 163071943 /nfs/dbraw/zinc/07/19/43/163071943.db2.gz CZQGVKIXUREREO-UHFFFAOYSA-N 0 1 298.314 2.555 20 5 CFBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000021848182 171334880 /nfs/dbraw/zinc/33/48/80/171334880.db2.gz KRCKEUIAEMFFGH-GFCCVEGCSA-N 0 1 291.351 2.654 20 5 CFBDMN C[C@H](c1cnccn1)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285177020 196214493 /nfs/dbraw/zinc/21/44/93/196214493.db2.gz BMPUFFMMBJXJGZ-GFCCVEGCSA-N 0 1 286.335 2.620 20 5 CFBDMN C[C@@H](NCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177110 173010330 /nfs/dbraw/zinc/01/03/30/173010330.db2.gz MNPFZEVOOIIJRD-LLVKDONJSA-N 0 1 257.293 2.841 20 5 CFBDMN Cc1c(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000038027954 174015814 /nfs/dbraw/zinc/01/58/14/174015814.db2.gz GIPNLDLGDPPGQA-ZDUSSCGKSA-N 0 1 292.335 2.732 20 5 CFBDMN Cc1nc([C@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000286395263 196590750 /nfs/dbraw/zinc/59/07/50/196590750.db2.gz MUKWFWGJIHUUBF-LURJTMIESA-N 0 1 281.703 2.848 20 5 CFBDMN CO[C@H](CNCc1csc([N+](=O)[O-])c1)CC(C)C ZINC000418097061 228034280 /nfs/dbraw/zinc/03/42/80/228034280.db2.gz KTALHVFVIZTEFR-NSHDSACASA-N 0 1 272.370 2.807 20 5 CFBDMN COc1ccc(CNCc2ccnc(C)c2)cc1[N+](=O)[O-] ZINC000391109635 262381668 /nfs/dbraw/zinc/38/16/68/262381668.db2.gz BNZJAUGWYZFRSH-UHFFFAOYSA-N 0 1 287.319 2.597 20 5 CFBDMN C[C@@H]1CC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000398045099 270321585 /nfs/dbraw/zinc/32/15/85/270321585.db2.gz ARALJEQOQITWPC-SKDRFNHKSA-N 0 1 284.743 2.905 20 5 CFBDMN C[C@@H](N(C)CC(=O)Nc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177228008 274234058 /nfs/dbraw/zinc/23/40/58/274234058.db2.gz BZLHIXHBBGKPAI-LLVKDONJSA-N 0 1 291.351 2.654 20 5 CFBDMN C[C@@H]1[C@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000492193087 279104226 /nfs/dbraw/zinc/10/42/26/279104226.db2.gz MFZFQBAQWOADNH-MNOVXSKESA-N 0 1 297.786 2.773 20 5 CFBDMN CC(C)c1nc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000296231128 281142687 /nfs/dbraw/zinc/14/26/87/281142687.db2.gz CBDZUDGIIDSFMS-JTQLQIEISA-N 0 1 289.339 2.687 20 5 CFBDMN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cnn(C)c1 ZINC000565218302 290283978 /nfs/dbraw/zinc/28/39/78/290283978.db2.gz PKADFJULMXKFRE-YGRLFVJLSA-N 0 1 286.335 2.666 20 5 CFBDMN Cc1cc(N2CCN(C)C[C@@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC000360082416 301338380 /nfs/dbraw/zinc/33/83/80/301338380.db2.gz LGWFFXVHVXFWCI-OAHLLOKOSA-N 0 1 295.358 2.819 20 5 CFBDMN