smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[S@](C)=O ZINC000110856139 790382265 /nfs/dbraw/zinc/38/22/65/790382265.db2.gz LTKSUGNHRLMRGH-LJQANCHMSA-N 0 0 288.329 -0.015 20 5 CBBDRN Nc1c(C(=O)N[C@@H]2COC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000323670463 790486090 /nfs/dbraw/zinc/48/60/90/790486090.db2.gz FEAWTBWNVBPUPT-APPZFPTMSA-N 0 0 267.241 -0.334 20 5 CBBDRN C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)C(=O)NCCF ZINC000336950983 790488376 /nfs/dbraw/zinc/48/83/76/790488376.db2.gz QKOWLAYACROMST-ZETCQYMHSA-N 0 0 296.262 0.524 20 5 CBBDRN Cn1cnc([N+](=O)[O-])c1N1CCN(C)[C@H](CO)C1 ZINC000687590679 790652404 /nfs/dbraw/zinc/65/24/04/790652404.db2.gz FUWORPMKSJHSCZ-QMMMGPOBSA-N 0 0 255.278 -0.559 20 5 CBBDRN Cn1c(C(=O)N2CCN(C)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000687593477 790656679 /nfs/dbraw/zinc/65/66/79/790656679.db2.gz RLLGUTLYWBPANO-SECBINFHSA-N 0 0 282.300 -0.318 20 5 CBBDRN Cc1nnc(CN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 ZINC001030293495 799292173 /nfs/dbraw/zinc/29/21/73/799292173.db2.gz MIJOVBFWJZSKHF-RKDXNWHRSA-N 0 0 280.288 -0.921 20 5 CBBDRN CC(C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001041233546 801379795 /nfs/dbraw/zinc/37/97/95/801379795.db2.gz OJWFMDRMJZKLPJ-NXEZZACHSA-N 0 0 299.327 -0.613 20 5 CBBDRN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(Cc2ccnn2C)C1 ZINC001042705797 801511193 /nfs/dbraw/zinc/51/11/93/801511193.db2.gz YRCXGQQJCGTUDU-VXGBXAGGSA-N 0 0 293.327 -0.272 20 5 CBBDRN NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001055999501 802423678 /nfs/dbraw/zinc/42/36/78/802423678.db2.gz RSIGZIDKPNVIDL-UHFFFAOYSA-N 0 0 278.268 -0.271 20 5 CBBDRN CC(C)=CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001056870372 802475998 /nfs/dbraw/zinc/47/59/98/802475998.db2.gz CMDHMMUOTBZMGM-GHMZBOCLSA-N 0 0 299.327 -0.445 20 5 CBBDRN C/C=C(\C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057304570 802505669 /nfs/dbraw/zinc/50/56/69/802505669.db2.gz XHALEQIPZVEHNV-VIXUHMKYSA-N 0 0 299.327 -0.445 20 5 CBBDRN Cc1cnc(N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001059803982 802594082 /nfs/dbraw/zinc/59/40/82/802594082.db2.gz OIGFOGWSTLJODE-OCAPTIKFSA-N 0 0 293.283 -0.157 20 5 CBBDRN CN1C[C@@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)OC1=O ZINC001117703132 812433948 /nfs/dbraw/zinc/43/39/48/812433948.db2.gz HYMGRKDVQAQHIY-LURJTMIESA-N 0 0 285.216 -0.820 20 5 CBBDRN CC(=O)N[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001142620830 814723847 /nfs/dbraw/zinc/72/38/47/814723847.db2.gz SATKYUNHFLKEPK-ZETCQYMHSA-N 0 0 267.245 -0.332 20 5 CBBDRN CNC(=O)NCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001142850580 814737643 /nfs/dbraw/zinc/73/76/43/814737643.db2.gz JPRQGSLIPUPIKV-UHFFFAOYSA-N 0 0 298.303 -0.428 20 5 CBBDRN CCn1cnnc1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001321706260 803804869 /nfs/dbraw/zinc/80/48/69/803804869.db2.gz GGYLHVUMINUDLV-UHFFFAOYSA-N 0 0 293.287 -0.238 20 5 CBBDRN COC(=O)NC1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001321850986 803827195 /nfs/dbraw/zinc/82/71/95/803827195.db2.gz MHIXYGZBTZOTCR-UHFFFAOYSA-N 0 0 295.255 -0.016 20 5 CBBDRN COCCn1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 ZINC001321891068 803835601 /nfs/dbraw/zinc/83/56/01/803835601.db2.gz QVZJUNQGYJZPTL-UHFFFAOYSA-N 0 0 295.259 -0.332 20 5 CBBDRN Cc1nn(C)c(C(=O)O[C@@H](C)C(N)=O)c1[N+](=O)[O-] ZINC001322008726 803850439 /nfs/dbraw/zinc/85/04/39/803850439.db2.gz USYDXKQOGNIJLR-YFKPBYRVSA-N 0 0 256.218 -0.333 20 5 CBBDRN Cc1nn(C)c(C)c1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001322168280 803869891 /nfs/dbraw/zinc/86/98/91/803869891.db2.gz FHCQCYGDJDMQNE-UHFFFAOYSA-N 0 0 293.287 -0.147 20 5 CBBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC001149242566 814978116 /nfs/dbraw/zinc/97/81/16/814978116.db2.gz YRDIMFZBUXTJAZ-DTORHVGOSA-N 0 0 281.268 -0.255 20 5 CBBDRN C[C@H]([C@H](C)O)n1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC001322470947 803900387 /nfs/dbraw/zinc/90/03/87/803900387.db2.gz KXKIZANZTAGART-RITPCOANSA-N 0 0 255.230 -0.203 20 5 CBBDRN O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1[nH]ncc1[N+](=O)[O-] ZINC001322483762 803901638 /nfs/dbraw/zinc/90/16/38/803901638.db2.gz HCBZSKVQTRLASQ-SFYZADRCSA-N 0 0 284.272 -0.307 20 5 CBBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC(=O)N1 ZINC001322708672 803930960 /nfs/dbraw/zinc/93/09/60/803930960.db2.gz FRDLGGSJGPACGG-QMMMGPOBSA-N 0 0 267.245 -0.814 20 5 CBBDRN Cc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)O3)c1[N+](=O)[O-] ZINC001322717564 803930990 /nfs/dbraw/zinc/93/09/90/803930990.db2.gz SEGVCGKBRSDSAT-DTORHVGOSA-N 0 0 296.283 -0.123 20 5 CBBDRN CN1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001322846439 803947769 /nfs/dbraw/zinc/94/77/69/803947769.db2.gz RTLMIQWGBWWEDS-UHFFFAOYSA-N 0 0 294.311 -0.079 20 5 CBBDRN COC(=O)c1ncn(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC001322998158 803964849 /nfs/dbraw/zinc/96/48/49/803964849.db2.gz GDHATALXASCQFN-QMMMGPOBSA-N 0 0 296.243 -0.770 20 5 CBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCc2n[nH]cc2C1 ZINC001323009140 803965993 /nfs/dbraw/zinc/96/59/93/803965993.db2.gz OEMREUCBKGNHCQ-UHFFFAOYSA-N 0 0 277.244 -0.506 20 5 CBBDRN NC(=O)C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC001323291704 804003319 /nfs/dbraw/zinc/00/33/19/804003319.db2.gz UJOXTIAAUAYUPG-VIFPVBQESA-N 0 0 295.299 -0.095 20 5 CBBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCCOC1 ZINC001323395054 804020354 /nfs/dbraw/zinc/02/03/54/804020354.db2.gz JQPDFUAOHGSKFK-UHFFFAOYSA-N 0 0 267.241 -0.037 20 5 CBBDRN CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCN(C)C1=O ZINC001323722673 804062232 /nfs/dbraw/zinc/06/22/32/804062232.db2.gz UMUQUHVMLJIOCE-ZETCQYMHSA-N 0 0 281.272 -0.369 20 5 CBBDRN C[C@@H]1C[C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001323865401 804076491 /nfs/dbraw/zinc/07/64/91/804076491.db2.gz HEAQMDYQPMHNAJ-RKDXNWHRSA-N 0 0 295.299 -0.320 20 5 CBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)OCc1ccon1 ZINC001323923251 804083915 /nfs/dbraw/zinc/08/39/15/804083915.db2.gz KXAHRPAGKQFDQZ-UHFFFAOYSA-N 0 0 253.174 -0.082 20 5 CBBDRN CNC(=O)C1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC001324007559 804094659 /nfs/dbraw/zinc/09/46/59/804094659.db2.gz SGYUEORXABHFIJ-UHFFFAOYSA-N 0 0 267.245 -0.854 20 5 CBBDRN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC(C(N)=O)=NO1 ZINC001324052287 804099267 /nfs/dbraw/zinc/09/92/67/804099267.db2.gz ANMCZAPAYYHINR-ZETCQYMHSA-N 0 0 279.256 -0.238 20 5 CBBDRN NC(=O)C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001324071278 804100964 /nfs/dbraw/zinc/10/09/64/804100964.db2.gz LBDFRNTVPUCQRF-UHFFFAOYSA-N 0 0 295.299 -0.095 20 5 CBBDRN CN1CC[C@H](NC(=O)c2[nH]ncc2[N+](=O)[O-])C1=O ZINC001324084950 804103169 /nfs/dbraw/zinc/10/31/69/804103169.db2.gz ILNXSZZWKYMJFS-YFKPBYRVSA-N 0 0 253.218 -0.722 20 5 CBBDRN CN(Cc1nncn1C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC001324103305 804106374 /nfs/dbraw/zinc/10/63/74/804106374.db2.gz OQLQDMYDCLXQAT-UHFFFAOYSA-N 0 0 265.233 -0.281 20 5 CBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCc2[nH]cnc2C1 ZINC001324129665 804110349 /nfs/dbraw/zinc/11/03/49/804110349.db2.gz 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804186148 /nfs/dbraw/zinc/18/61/48/804186148.db2.gz MLXPLKSNGCPREY-UHFFFAOYSA-N 0 0 269.261 -0.464 20 5 CBBDRN CCS(=O)(=O)CCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001324864837 804204217 /nfs/dbraw/zinc/20/42/17/804204217.db2.gz ROJCSLLNHRHMOP-UHFFFAOYSA-N 0 0 276.274 -0.518 20 5 CBBDRN Cc1nnc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])n1C ZINC001324889167 804205435 /nfs/dbraw/zinc/20/54/35/804205435.db2.gz CJCPQBQBDVSAMV-UHFFFAOYSA-N 0 0 265.233 -0.315 20 5 CBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]1CCO ZINC001324937075 804212074 /nfs/dbraw/zinc/21/20/74/804212074.db2.gz NDILAVAIGRYJBZ-MRVPVSSYSA-N 0 0 269.261 -0.440 20 5 CBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ncn(C)n1 ZINC001325055362 804229983 /nfs/dbraw/zinc/22/99/83/804229983.db2.gz PIXQWSFHOPQIEH-UHFFFAOYSA-N 0 0 265.233 -0.133 20 5 CBBDRN Cn1cc([N+](=O)[O-])c(C(=O)NCCn2ccnc2)n1 ZINC001325099590 804238726 /nfs/dbraw/zinc/23/87/26/804238726.db2.gz IRNUWQLOGJLPJV-UHFFFAOYSA-N 0 0 264.245 -0.045 20 5 CBBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC(CO)C1 ZINC001325300879 804272112 /nfs/dbraw/zinc/27/21/12/804272112.db2.gz VQZANVHZCCPIHI-UHFFFAOYSA-N 0 0 252.230 -0.483 20 5 CBBDRN Cc1cccc(C(=O)N2CC(O)(C(N)=O)C2)c1[N+](=O)[O-] ZINC001150111178 815016769 /nfs/dbraw/zinc/01/67/69/815016769.db2.gz JNWXHUBOSXELFJ-UHFFFAOYSA-N 0 0 279.252 -0.425 20 5 CBBDRN Nc1ncc(C(=O)N[C@H]2COCCC2=O)cc1[N+](=O)[O-] ZINC001150311813 815025849 /nfs/dbraw/zinc/02/58/49/815025849.db2.gz MBXYFBIRJWZMIC-ZETCQYMHSA-N 0 0 280.240 -0.340 20 5 CBBDRN CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074583463 805459600 /nfs/dbraw/zinc/45/96/00/805459600.db2.gz FPJHGXCDFQVWIW-NXEZZACHSA-N 0 0 299.327 -0.469 20 5 CBBDRN C[C@@H](O)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001152228091 815111042 /nfs/dbraw/zinc/11/10/42/815111042.db2.gz BOJUZNMMAHGRLP-MRVPVSSYSA-N 0 0 283.288 -0.194 20 5 CBBDRN COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001152311980 815115664 /nfs/dbraw/zinc/11/56/64/815115664.db2.gz PJNCEBDRKFWWNW-RNFRBKRXSA-N 0 0 298.255 -0.923 20 5 CBBDRN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC001152823907 815137716 /nfs/dbraw/zinc/13/77/16/815137716.db2.gz TZUOCLQXLCFEHH-IMSYWVGJSA-N 0 0 283.284 -0.842 20 5 CBBDRN CCn1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(=O)[nH]c1=O ZINC001153015952 815144853 /nfs/dbraw/zinc/14/48/53/815144853.db2.gz XAXBLMGXQAPUKL-HTQZYQBOSA-N 0 0 282.256 -0.750 20 5 CBBDRN Cn1cc([C@H](CO)NC(=O)c2c([N+](=O)[O-])cnn2C)cn1 ZINC001153045837 815146266 /nfs/dbraw/zinc/14/62/66/815146266.db2.gz UQFTXAWKAYNGDZ-QMMMGPOBSA-N 0 0 294.271 -0.475 20 5 CBBDRN COC(=O)[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC001153269703 815155697 /nfs/dbraw/zinc/15/56/97/815155697.db2.gz MMMSBSJTXFGTDJ-JTQLQIEISA-N 0 0 284.228 -0.932 20 5 CBBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001154147796 815201727 /nfs/dbraw/zinc/20/17/27/815201727.db2.gz GCAIYTVJVPLCLN-QPUJVOFHSA-N 0 0 295.295 -0.008 20 5 CBBDRN C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCS1(=O)=O ZINC001154180569 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COC[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593589983 355210381 /nfs/dbraw/zinc/21/03/81/355210381.db2.gz WIABHZJCALHKCW-ZETCQYMHSA-N 0 0 291.285 -0.725 20 5 CBBDRN CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(N)=O ZINC000593596525 355211382 /nfs/dbraw/zinc/21/13/82/355211382.db2.gz DCPOQTXJVNJODY-SSDOTTSWSA-N 0 0 288.285 -0.468 20 5 CBBDRN C[C@H]1C(=O)N(C)CN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000592900634 355177837 /nfs/dbraw/zinc/17/78/37/355177837.db2.gz HHZSLGPXIJMMNQ-YFKPBYRVSA-N 0 0 253.218 -0.422 20 5 CBBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H](CO)CCF ZINC000593380978 355202251 /nfs/dbraw/zinc/20/22/51/355202251.db2.gz AJQVYIKHRFXIBG-QMMMGPOBSA-N 0 0 289.267 -0.189 20 5 CBBDRN NC(=O)[C@H]1C[C@@H](NC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000593811274 355220581 /nfs/dbraw/zinc/22/05/81/355220581.db2.gz BHXXRPXUHATRLH-SYDPRGILSA-N 0 0 253.218 -0.688 20 5 CBBDRN NC(=O)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000593813686 355221505 /nfs/dbraw/zinc/22/15/05/355221505.db2.gz 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O=C(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)N1CCOCC1 ZINC000272030830 191475403 /nfs/dbraw/zinc/47/54/03/191475403.db2.gz PCLNPSNUVYKFPY-UHFFFAOYSA-N 0 0 282.256 -0.489 20 5 CBBDRN COC(=O)CN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596071038 355340900 /nfs/dbraw/zinc/34/09/00/355340900.db2.gz WJFGWCXGJBRYLW-UHFFFAOYSA-N 0 0 296.283 -0.010 20 5 CBBDRN NC(=O)c1cc(N(CCO)CCCO)ccc1[N+](=O)[O-] ZINC000596137540 355344733 /nfs/dbraw/zinc/34/47/33/355344733.db2.gz LOJVXAXXQMHIKK-UHFFFAOYSA-N 0 0 283.284 -0.125 20 5 CBBDRN Nc1ccc(N2CC[C@H](S(N)(=O)=O)C2)nc1[N+](=O)[O-] ZINC000596122666 355344791 /nfs/dbraw/zinc/34/47/91/355344791.db2.gz ALVCJOSGVZRGCC-LURJTMIESA-N 0 0 287.301 -0.561 20 5 CBBDRN CN1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1=O ZINC000596136261 355344882 /nfs/dbraw/zinc/34/48/82/355344882.db2.gz RFZDSPHXSGCSKY-UHFFFAOYSA-N 0 0 252.230 -0.026 20 5 CBBDRN Nc1ccc(N2CC[C@@H](CO)[C@H](O)C2)nc1[N+](=O)[O-] ZINC000596207975 355348768 /nfs/dbraw/zinc/34/87/68/355348768.db2.gz 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/nfs/dbraw/zinc/41/11/45/355411145.db2.gz VXBPJACNQWTSSA-UHFFFAOYSA-N 0 0 268.229 -0.328 20 5 CBBDRN NC(=O)CSc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598630054 355448253 /nfs/dbraw/zinc/44/82/53/355448253.db2.gz SMAFNBWSUUAKGN-UHFFFAOYSA-N 0 0 299.312 -0.201 20 5 CBBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCNC1=O ZINC000597854461 355422820 /nfs/dbraw/zinc/42/28/20/355422820.db2.gz GSSSBVDXLAMYQO-VIFPVBQESA-N 0 0 264.241 -0.083 20 5 CBBDRN CO[C@]1(CO)CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000597998487 355426450 /nfs/dbraw/zinc/42/64/50/355426450.db2.gz QEUHWNMIGBGSBB-LLVKDONJSA-N 0 0 284.272 -0.069 20 5 CBBDRN O=C(NC[C@]1(OCCO)CCOC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000597995241 355426578 /nfs/dbraw/zinc/42/65/78/355426578.db2.gz LNTHEHCPVPWFIG-GFCCVEGCSA-N 0 0 299.283 -0.179 20 5 CBBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@H]1COCCO1 ZINC000598181551 355434387 /nfs/dbraw/zinc/43/43/87/355434387.db2.gz MQKABVFZQZRYML-JTQLQIEISA-N 0 0 298.299 -0.026 20 5 CBBDRN C[C@@]12COC[C@H]1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000598232360 355435124 /nfs/dbraw/zinc/43/51/24/355435124.db2.gz PRGCJMVLAZOMAF-LDYMZIIASA-N 0 0 281.272 -0.319 20 5 CBBDRN COC(=O)[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598520162 355443562 /nfs/dbraw/zinc/44/35/62/355443562.db2.gz GWZLUKHWNGPYEK-ZKCHVHJHSA-N 0 0 282.256 -0.141 20 5 CBBDRN COC(=O)c1ccnc(N2CC(O)C2)c1[N+](=O)[O-] ZINC000598592901 355445173 /nfs/dbraw/zinc/44/51/73/355445173.db2.gz MYMMEVBQLIQKAQ-UHFFFAOYSA-N 0 0 253.214 -0.043 20 5 CBBDRN CC1(O)CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598604946 355446512 /nfs/dbraw/zinc/44/65/12/355446512.db2.gz DIBUXZSJSLKFKI-UHFFFAOYSA-N 0 0 295.299 -0.208 20 5 CBBDRN COC(=O)c1ccnc(N2C[C@H](O)C[C@H](O)C2)c1[N+](=O)[O-] ZINC000598599760 355446568 /nfs/dbraw/zinc/44/65/68/355446568.db2.gz DRPQOIVFCWAUIZ-OCAPTIKFSA-N 0 0 297.267 -0.292 20 5 CBBDRN CO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCO1 ZINC000597540944 355395522 /nfs/dbraw/zinc/39/55/22/355395522.db2.gz 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355468112 /nfs/dbraw/zinc/46/81/12/355468112.db2.gz XBUVBERQOCPLEG-ZCFIWIBFSA-N 0 0 258.234 -0.336 20 5 CBBDRN NC(=O)C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CCO1 ZINC000599186689 355470621 /nfs/dbraw/zinc/47/06/21/355470621.db2.gz JWKMBVFMSAJGDK-ZETCQYMHSA-N 0 0 281.272 -0.347 20 5 CBBDRN C[C@H](O)CCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247182 355474122 /nfs/dbraw/zinc/47/41/22/355474122.db2.gz CCUATSUMCCZIAC-ZETCQYMHSA-N 0 0 292.317 -0.280 20 5 CBBDRN CO[C@@H](C)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599305713 355478643 /nfs/dbraw/zinc/47/86/43/355478643.db2.gz BUNAVJNWHRWGCV-ZETCQYMHSA-N 0 0 292.317 -0.016 20 5 CBBDRN CC[C@H](CO)N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599315678 355479494 /nfs/dbraw/zinc/47/94/94/355479494.db2.gz PNNAOHSBDFRIAQ-SSDOTTSWSA-N 0 0 292.317 -0.280 20 5 CBBDRN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1C[C@H](O)[C@@H](O)C1 ZINC000600217207 355529816 /nfs/dbraw/zinc/52/98/16/355529816.db2.gz SOASSIZMRIXGCW-IUCAKERBSA-N 0 0 296.235 -0.499 20 5 CBBDRN 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ZINC001094043038 810694998 /nfs/dbraw/zinc/69/49/98/810694998.db2.gz UCRDWKYFNXIDFO-UHFFFAOYSA-N 0 0 291.271 -0.040 20 5 CBBDRN NC(=O)C(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001094079435 810696468 /nfs/dbraw/zinc/69/64/68/810696468.db2.gz HGSFNNKLGFBWFI-UHFFFAOYSA-N 0 0 253.218 -0.997 20 5 CBBDRN Cc1ccnc(NCCNC(=O)C(N)=O)c1[N+](=O)[O-] ZINC001094079741 810698018 /nfs/dbraw/zinc/69/80/18/810698018.db2.gz ZOWBINHTMPGAEW-UHFFFAOYSA-N 0 0 267.245 -0.688 20 5 CBBDRN NC(=O)C(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001094079740 810698302 /nfs/dbraw/zinc/69/83/02/810698302.db2.gz ZNNRQPHJMHIZDK-UHFFFAOYSA-N 0 0 253.218 -0.997 20 5 CBBDRN Cc1cc([N+](=O)[O-])cnc1NCCCNC(=O)C(N)=O ZINC001094742402 810729532 /nfs/dbraw/zinc/72/95/32/810729532.db2.gz WUJRBZYJDMECHD-UHFFFAOYSA-N 0 0 281.272 -0.298 20 5 CBBDRN NC(=O)C(=O)NCCCNc1ccc([N+](=O)[O-])cn1 ZINC001094742277 810729659 /nfs/dbraw/zinc/72/96/59/810729659.db2.gz QVEKHMLFJBFPKW-UHFFFAOYSA-N 0 0 267.245 -0.607 20 5 CBBDRN CCc1n[nH]c(C(=O)N[C@]2(C)CCNC2=O)c1[N+](=O)[O-] ZINC001156986286 815395507 /nfs/dbraw/zinc/39/55/07/815395507.db2.gz DRXHARINEVSILV-LLVKDONJSA-N 0 0 281.272 -0.111 20 5 CBBDRN Cc1nc(Cl)c([N+](=O)[O-])c(NC(CO)(CO)CO)n1 ZINC001157149556 815408916 /nfs/dbraw/zinc/40/89/16/815408916.db2.gz QWWZUNQWZQBYAX-UHFFFAOYSA-N 0 0 292.679 -0.526 20 5 CBBDRN Cc1c(C)c(NC(CO)(CO)CO)ncc1[N+](=O)[O-] ZINC001157152776 815410250 /nfs/dbraw/zinc/41/02/50/815410250.db2.gz RGWNZYHBIYQQHH-UHFFFAOYSA-N 0 0 271.273 -0.266 20 5 CBBDRN CCC(=O)NCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001099902526 810963780 /nfs/dbraw/zinc/96/37/80/810963780.db2.gz ASKCQIUHRAOVGC-UHFFFAOYSA-N 0 0 268.277 -0.071 20 5 CBBDRN CCN(CCNC(=O)CC(N)=O)c1ncccc1[N+](=O)[O-] ZINC001100474861 811059143 /nfs/dbraw/zinc/05/91/43/811059143.db2.gz NVUUMVKDFILWNR-UHFFFAOYSA-N 0 0 295.299 -0.192 20 5 CBBDRN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001157278822 815418287 /nfs/dbraw/zinc/41/82/87/815418287.db2.gz JTYFSIXSNQYRTD-OYBPUVFXSA-N 0 0 299.283 -0.949 20 5 CBBDRN O=C(N[C@H]1CC[C@@H](O)[C@@H](O)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC001157285944 815418777 /nfs/dbraw/zinc/41/87/77/815418777.db2.gz FWYOLFIJXUHOTK-QUNWWBBNSA-N 0 0 269.257 -0.073 20 5 CBBDRN NC(=O)C(=O)NCCN(c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC001101443806 811104979 /nfs/dbraw/zinc/10/49/79/811104979.db2.gz RJQZGEFYDYNOII-UHFFFAOYSA-N 0 0 293.283 -0.440 20 5 CBBDRN CCOCC(=O)N(C)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001101487426 811108320 /nfs/dbraw/zinc/10/83/20/811108320.db2.gz DMKHTNROZDGGTJ-UHFFFAOYSA-N 0 0 298.303 -0.126 20 5 CBBDRN CN(CCNc1ncc([N+](=O)[O-])cc1F)C(=O)CC(N)=O ZINC001101536829 811111376 /nfs/dbraw/zinc/11/13/76/811111376.db2.gz CFYDNEVNEBIXHZ-UHFFFAOYSA-N 0 0 299.262 -0.125 20 5 CBBDRN CN(CCNc1ccccc1[N+](=O)[O-])C(=O)C(N)=O ZINC001101944591 811139193 /nfs/dbraw/zinc/13/91/93/811139193.db2.gz BITHSWOOZHMIOH-UHFFFAOYSA-N 0 0 266.257 -0.050 20 5 CBBDRN Cn1cc([N+](=O)[O-])c(C(=O)N2CC(NC3COC3)C2)n1 ZINC001157602287 815447323 /nfs/dbraw/zinc/44/73/23/815447323.db2.gz UKHPQKSJMZDXHO-UHFFFAOYSA-N 0 0 281.272 -0.859 20 5 CBBDRN CN(CCCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)C(N)=O ZINC001112175547 811560362 /nfs/dbraw/zinc/56/03/62/811560362.db2.gz JGBXGBAGPTXWRX-UHFFFAOYSA-N 0 0 295.299 -0.240 20 5 CBBDRN CN(CCCN(C)c1ncccc1[N+](=O)[O-])C(=O)C(N)=O ZINC001112164938 811561132 /nfs/dbraw/zinc/56/11/32/811561132.db2.gz PTWTVDKRXSCYSN-UHFFFAOYSA-N 0 0 295.299 -0.240 20 5 CBBDRN CC[C@@](N)(CO)Nc1ncnc(OC)c1[N+](=O)[O-] ZINC001159744717 815591392 /nfs/dbraw/zinc/59/13/92/815591392.db2.gz ZPAFKCHCNUDVTD-VIFPVBQESA-N 0 0 257.250 -0.137 20 5 CBBDRN COc1nc(-n2cnc(CN)n2)nc(OC)c1[N+](=O)[O-] ZINC001157928134 815484236 /nfs/dbraw/zinc/48/42/36/815484236.db2.gz BZZBTONZRJQXFO-UHFFFAOYSA-N 0 0 281.232 -0.559 20 5 CBBDRN O=C1CNC(=O)N1CCCn1cnc([N+](=O)[O-])c1 ZINC001115862038 812204003 /nfs/dbraw/zinc/20/40/03/812204003.db2.gz RIANMHXXPJLQMJ-UHFFFAOYSA-N 0 0 253.218 -0.267 20 5 CBBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(C(N)=O)CC1 ZINC001115906930 812206659 /nfs/dbraw/zinc/20/66/59/812206659.db2.gz IEHRQESJXMFARF-UHFFFAOYSA-N 0 0 295.299 -0.176 20 5 CBBDRN COCCc1noc(Cn2cnc([N+](=O)[O-])n2)n1 ZINC001115987281 812210404 /nfs/dbraw/zinc/21/04/04/812210404.db2.gz WTLYJWNGPLIUOR-UHFFFAOYSA-N 0 0 254.206 -0.194 20 5 CBBDRN CN1C(=S)N=NC1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001116012543 812212957 /nfs/dbraw/zinc/21/29/57/812212957.db2.gz CMIPTNLKDKRCQF-UHFFFAOYSA-N 0 0 297.300 -0.475 20 5 CBBDRN C[C@H]1NC(=O)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC001116145477 812226793 /nfs/dbraw/zinc/22/67/93/812226793.db2.gz VQURAKSMRPPECA-SVRRBLITSA-N 0 0 283.244 -0.908 20 5 CBBDRN C[C@@H](CO[C@H]1CCOC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001116237741 812235494 /nfs/dbraw/zinc/23/54/94/812235494.db2.gz PLMONAFURPIQHJ-IUCAKERBSA-N 0 0 299.287 -0.504 20 5 CBBDRN COC(=O)CN(CC(C)C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001116253631 812236614 /nfs/dbraw/zinc/23/66/14/812236614.db2.gz RFFFQRMCLUBYIP-UHFFFAOYSA-N 0 0 299.287 -0.156 20 5 CBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@]2(CCOC2)C1 ZINC001116252049 812237174 /nfs/dbraw/zinc/23/71/74/812237174.db2.gz HVTAWGVPDXRSEJ-LLVKDONJSA-N 0 0 281.272 -0.175 20 5 CBBDRN C[C@H](CS(C)(=O)=O)N(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001116414184 812256525 /nfs/dbraw/zinc/25/65/25/812256525.db2.gz WZKFHYMAWGQLGD-ZCFIWIBFSA-N 0 0 290.301 -0.177 20 5 CBBDRN CN(C)C(=O)CN(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001116431907 812259202 /nfs/dbraw/zinc/25/92/02/812259202.db2.gz NHJJOXJPQUOYLW-UHFFFAOYSA-N 0 0 269.261 -0.512 20 5 CBBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCCNc1cnccn1 ZINC001116431848 812259335 /nfs/dbraw/zinc/25/93/35/812259335.db2.gz LSLHKGONQIZQAV-UHFFFAOYSA-N 0 0 291.271 -0.040 20 5 CBBDRN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1nnnn1C1CC1 ZINC001116428275 812259998 /nfs/dbraw/zinc/25/99/98/812259998.db2.gz ZPADLKHPYLDWPF-UHFFFAOYSA-N 0 0 292.259 -0.420 20 5 CBBDRN C[C@H]1CC(=O)NCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116459159 812263543 /nfs/dbraw/zinc/26/35/43/812263543.db2.gz BNSVVYBSFSEOCE-ZETCQYMHSA-N 0 0 281.272 -0.321 20 5 CBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](CO)C1CC1 ZINC001116455278 812263941 /nfs/dbraw/zinc/26/39/41/812263941.db2.gz ZMSAJUDIXVTQRN-ZETCQYMHSA-N 0 0 255.234 -0.927 20 5 CBBDRN CNC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001116574987 812279872 /nfs/dbraw/zinc/27/98/72/812279872.db2.gz YYCKUKMUVTWQMT-UHFFFAOYSA-N 0 0 267.245 -0.610 20 5 CBBDRN Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)C2=O)n1 ZINC001116658216 812292009 /nfs/dbraw/zinc/29/20/09/812292009.db2.gz WGIVVQFMZYWOTN-LURJTMIESA-N 0 0 267.245 -0.711 20 5 CBBDRN COC(=O)c1cn(CCn2ccc(=O)c([N+](=O)[O-])c2)nn1 ZINC001116697194 812298529 /nfs/dbraw/zinc/29/85/29/812298529.db2.gz FKPDFPVEYZAVTP-UHFFFAOYSA-N 0 0 293.239 -0.165 20 5 CBBDRN C[C@H](CO)N(C[C@H](C)O)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116718234 812301084 /nfs/dbraw/zinc/30/10/84/812301084.db2.gz YUNOPIKNCCTNRB-SFYZADRCSA-N 0 0 286.288 -0.468 20 5 CBBDRN CN(C)c1noc(CNC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC001116728192 812304626 /nfs/dbraw/zinc/30/46/26/812304626.db2.gz NDLHNWREBKDHJC-UHFFFAOYSA-N 0 0 295.259 -0.293 20 5 CBBDRN C[C@H](C[S@](C)=O)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001116837468 812320566 /nfs/dbraw/zinc/32/05/66/812320566.db2.gz HFDGLPKJYYKLLP-NEXAQPNMSA-N 0 0 260.275 -0.185 20 5 CBBDRN CNC(=O)[C@]1(C)CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC001116892925 812332533 /nfs/dbraw/zinc/33/25/33/812332533.db2.gz KWAHCPNDDDYRAT-GFCCVEGCSA-N 0 0 295.299 -0.074 20 5 CBBDRN Cc1nn(C)c(C(=O)N[C@@H]2C(=O)NCC[C@H]2C)c1[N+](=O)[O-] ZINC001116910294 812335852 /nfs/dbraw/zinc/33/58/52/812335852.db2.gz CIIRYSGSZRZEQJ-SVRRBLITSA-N 0 0 295.299 -0.109 20 5 CBBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1C[C@@H]2C[C@]2(CO)C1 ZINC001116942197 812344233 /nfs/dbraw/zinc/34/42/33/812344233.db2.gz KNAIGJBLWSNEQD-QUBYGPBYSA-N 0 0 252.230 -0.228 20 5 CBBDRN COc1cc(NC[C@@H]2CNC(=O)CO2)ncc1[N+](=O)[O-] ZINC001158388307 815523748 /nfs/dbraw/zinc/52/37/48/815523748.db2.gz CQURFHOGHSNNHP-SSDOTTSWSA-N 0 0 282.256 -0.075 20 5 CBBDRN Cn1ncc(CNC(=O)c2c([N+](=O)[O-])cnn2C)n1 ZINC001117806158 812449800 /nfs/dbraw/zinc/44/98/00/812449800.db2.gz WSLCRZBPAMOLIP-UHFFFAOYSA-N 0 0 265.233 -0.613 20 5 CBBDRN Cc1nc(NC[C@@H]2CNC(=O)CO2)ncc1[N+](=O)[O-] ZINC001158398805 815527386 /nfs/dbraw/zinc/52/73/86/815527386.db2.gz SKPGAOXQMXIBSE-ZETCQYMHSA-N 0 0 267.245 -0.380 20 5 CBBDRN C[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(=O)N(C)C ZINC001118011703 812462852 /nfs/dbraw/zinc/46/28/52/812462852.db2.gz VPJYFNTVXWITKD-RXMQYKEDSA-N 0 0 255.234 -0.476 20 5 CBBDRN Cc1cncc([N+](=O)[O-])c1N1CCN(CC(N)=O)C(=O)C1 ZINC001118003550 812463142 /nfs/dbraw/zinc/46/31/42/812463142.db2.gz CWGAGNCDHCFCME-UHFFFAOYSA-N 0 0 293.283 -0.568 20 5 CBBDRN C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ncnn1C ZINC001118090533 812469445 /nfs/dbraw/zinc/46/94/45/812469445.db2.gz LQRIYBBHAQYWCF-PSASIEDQSA-N 0 0 295.303 -0.369 20 5 CBBDRN C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ncnn1C ZINC001118090539 812469630 /nfs/dbraw/zinc/46/96/30/812469630.db2.gz 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/nfs/dbraw/zinc/43/33/15/420433315.db2.gz NRQPQXXOQJRLHR-UHFFFAOYSA-N 0 0 293.283 -0.054 20 5 CBBDRN CNc1nccc(C(=O)N2CC(C)(CO)C2)c1[N+](=O)[O-] ZINC000578764185 420467786 /nfs/dbraw/zinc/46/77/86/420467786.db2.gz BVBSGDHXHWZPNY-UHFFFAOYSA-N 0 0 280.284 0.486 20 5 CBBDRN O=C(N[C@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000378047635 230309466 /nfs/dbraw/zinc/30/94/66/230309466.db2.gz JNTURNGGRMIKPT-UWKFXHKCSA-N 0 0 297.311 -0.406 20 5 CBBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN2C(=O)OC[C@H]2C1 ZINC000378162826 230313241 /nfs/dbraw/zinc/31/32/41/230313241.db2.gz XFUNZIGRADZTLN-SECBINFHSA-N 0 0 295.255 -0.546 20 5 CBBDRN CNc1nccc(C(=O)NCC[C@H](O)COC)c1[N+](=O)[O-] ZINC000579855610 420468749 /nfs/dbraw/zinc/46/87/49/420468749.db2.gz DMSKYVLUJGJHKR-QMMMGPOBSA-N 0 0 298.299 0.159 20 5 CBBDRN Nc1nc(SCC2(CO)COC2)ncc1[N+](=O)[O-] ZINC000580571607 420469568 /nfs/dbraw/zinc/46/95/68/420469568.db2.gz BFBIYNKZHSBCEH-UHFFFAOYSA-N 0 0 272.286 0.068 20 5 CBBDRN O=C(CO)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000563816371 420438646 /nfs/dbraw/zinc/43/86/46/420438646.db2.gz LYAMUAFHYGHASJ-UHFFFAOYSA-N 0 0 291.267 0.058 20 5 CBBDRN CCCNC(=O)CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000563905413 420438755 /nfs/dbraw/zinc/43/87/55/420438755.db2.gz JZOJQLPPQUQZHV-UHFFFAOYSA-N 0 0 295.299 0.288 20 5 CBBDRN CNc1nccc(C(=O)N(C)[C@@H]2CCNC2=O)c1[N+](=O)[O-] ZINC000565192954 420440899 /nfs/dbraw/zinc/44/08/99/420440899.db2.gz XFEAFQSICBYMRX-MRVPVSSYSA-N 0 0 293.283 -0.008 20 5 CBBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H](CO)C1 ZINC000494729092 230361461 /nfs/dbraw/zinc/36/14/61/230361461.db2.gz PPOLZNQUCQBMTG-SNVBAGLBSA-N 0 0 295.295 -0.013 20 5 CBBDRN COC[C@@](C)(O)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565726496 420442322 /nfs/dbraw/zinc/44/23/22/420442322.db2.gz YOGXGOUEUYSWPF-NSHDSACASA-N 0 0 284.272 -0.301 20 5 CBBDRN CNc1nccc(C(=O)N[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC000566469758 420445944 /nfs/dbraw/zinc/44/59/44/420445944.db2.gz 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C[C@H](O)[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CCO1 ZINC000574291808 420460236 /nfs/dbraw/zinc/46/02/36/420460236.db2.gz IYYHOIBUISRRBM-IONNQARKSA-N 0 0 296.283 -0.206 20 5 CBBDRN Nc1nc(SCCCS(N)(=O)=O)ncc1[N+](=O)[O-] ZINC000574705390 420461070 /nfs/dbraw/zinc/46/10/70/420461070.db2.gz ZBYOJDPBYCKRQO-UHFFFAOYSA-N 0 0 293.330 -0.262 20 5 CBBDRN C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[S@]1=O ZINC000581833793 420471854 /nfs/dbraw/zinc/47/18/54/420471854.db2.gz XCFFYEBKTDJXCT-GLEHDBDLSA-N 0 0 298.324 0.165 20 5 CBBDRN CNc1nccc(C(=O)N=c2nc(C)[nH]n2C)c1[N+](=O)[O-] ZINC000590446226 420478012 /nfs/dbraw/zinc/47/80/12/420478012.db2.gz BPJGNGZXVRYHQI-UHFFFAOYSA-N 0 0 291.271 0.143 20 5 CBBDRN CNc1nccc(C(=O)N2CC[C@H](CO)C2)c1[N+](=O)[O-] ZINC000590444615 420478267 /nfs/dbraw/zinc/47/82/67/420478267.db2.gz HNXHBTJMEMWJJF-QMMMGPOBSA-N 0 0 280.284 0.486 20 5 CBBDRN Cc1nn(C)c(NCCc2nc(N)n[nH]2)c1[N+](=O)[O-] ZINC000590567590 420478926 /nfs/dbraw/zinc/47/89/26/420478926.db2.gz 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/nfs/dbraw/zinc/05/33/37/355053337.db2.gz XTRYCRPUCLRBJB-UHFFFAOYSA-N 0 0 290.301 -0.129 20 5 CBBDRN O=C(c1cc([N+](=O)[O-])n[nH]1)N1[C@@H]2CO[C@@H]3[C@H]1CO[C@H]23 ZINC000586801432 355053427 /nfs/dbraw/zinc/05/34/27/355053427.db2.gz PAJJNCVGCZREKE-SQEXRHODSA-N 0 0 266.213 -0.692 20 5 CBBDRN O=C(NCCn1ccnn1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586806234 355053643 /nfs/dbraw/zinc/05/36/43/355053643.db2.gz HNTLHTRKUHDXKI-UHFFFAOYSA-N 0 0 251.206 -0.661 20 5 CBBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CN(C)CCO1 ZINC000586799496 355053650 /nfs/dbraw/zinc/05/36/50/355053650.db2.gz KKQNCYACKQSVNC-APPZFPTMSA-N 0 0 283.288 -0.233 20 5 CBBDRN Nc1cc(N2C[C@H](O)C[C@H]2CO)cc(CO)c1[N+](=O)[O-] ZINC000588008412 355055051 /nfs/dbraw/zinc/05/50/51/355055051.db2.gz RNOBPNXODHKSAC-VHSXEESVSA-N 0 0 283.284 -0.399 20 5 CBBDRN NC(=O)[C@H](CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588068365 355055741 /nfs/dbraw/zinc/05/57/41/355055741.db2.gz KDLPDMVVKRHYHY-VIFPVBQESA-N 0 0 277.240 -0.204 20 5 CBBDRN C[C@@](O)(CO)CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588038214 355055773 /nfs/dbraw/zinc/05/57/73/355055773.db2.gz KGFBECXRLZVNFQ-NSHDSACASA-N 0 0 271.273 -0.176 20 5 CBBDRN Cn1nnc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)n1 ZINC000588035695 355055777 /nfs/dbraw/zinc/05/57/77/355055777.db2.gz HNJFKSVDJVMDRK-UHFFFAOYSA-N 0 0 279.260 -0.195 20 5 CBBDRN C[C@](O)(CO)CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588038213 355055865 /nfs/dbraw/zinc/05/58/65/355055865.db2.gz KGFBECXRLZVNFQ-LLVKDONJSA-N 0 0 271.273 -0.176 20 5 CBBDRN C[NH+](C)C[C@H](CO)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588864449 355062167 /nfs/dbraw/zinc/06/21/67/355062167.db2.gz JIFMVTNOHPERMR-SECBINFHSA-N 0 0 283.284 -0.047 20 5 CBBDRN COC(=O)[C@@H]1C[C@H](O)CN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000592001711 355124462 /nfs/dbraw/zinc/12/44/62/355124462.db2.gz BLNBPLOZHCKBAY-APPZFPTMSA-N 0 0 282.256 -0.255 20 5 CBBDRN C[C@@H]1C(=O)N(C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000592189133 355137441 /nfs/dbraw/zinc/13/74/41/355137441.db2.gz FULSXGGTJANDLZ-MRVPVSSYSA-N 0 0 253.262 -0.089 20 5 CBBDRN C[C@H]1C(=O)N(C)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592190771 355138043 /nfs/dbraw/zinc/13/80/43/355138043.db2.gz RBWGTTBXNPHISY-WPRPVWTQSA-N 0 0 283.288 -0.728 20 5 CBBDRN Cc1nn(C)c(N2CC(N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593506772 355208100 /nfs/dbraw/zinc/20/81/00/355208100.db2.gz BMBKKKXAAKRASU-SNVBAGLBSA-N 0 0 281.316 -0.108 20 5 CBBDRN CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593534288 355208718 /nfs/dbraw/zinc/20/87/18/355208718.db2.gz ICKABWZLUBIMRT-UHFFFAOYSA-N 0 0 288.285 -0.596 20 5 CBBDRN CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593525279 355209003 /nfs/dbraw/zinc/20/90/03/355209003.db2.gz OQXQTDHOFUMORY-UHFFFAOYSA-N 0 0 288.285 -0.596 20 5 CBBDRN C[C@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593549436 355209744 /nfs/dbraw/zinc/20/97/44/355209744.db2.gz HUOORRJCXCTWJQ-ZCFIWIBFSA-N 0 0 261.259 -0.351 20 5 CBBDRN C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593549584 355209819 /nfs/dbraw/zinc/20/98/19/355209819.db2.gz JHTNWODSUQKQID-LURJTMIESA-N 0 0 261.259 -0.351 20 5 CBBDRN CC1(O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593588110 355210529 /nfs/dbraw/zinc/21/05/29/355210529.db2.gz IDNMILRFEVZVCH-UHFFFAOYSA-N 0 0 273.270 -0.255 20 5 CBBDRN CN1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C(=O)N1 ZINC000593582159 355210779 /nfs/dbraw/zinc/21/07/79/355210779.db2.gz ZFVWGFZBEVKBQT-VIFPVBQESA-N 0 0 296.258 -0.262 20 5 CBBDRN CC1(C(N)=O)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592822719 355173592 /nfs/dbraw/zinc/17/35/92/355173592.db2.gz OZJWPXOMRQWGOS-UHFFFAOYSA-N 0 0 294.267 -0.910 20 5 CBBDRN Cc1n[nH]c(C(=O)N2CN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592899194 355177840 /nfs/dbraw/zinc/17/78/40/355177840.db2.gz BWVHMJLHWYYMPD-LURJTMIESA-N 0 0 267.245 -0.113 20 5 CBBDRN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000592923046 355181599 /nfs/dbraw/zinc/18/15/99/355181599.db2.gz HGRIRGROVHOGDY-RQJHMYQMSA-N 0 0 298.255 -0.686 20 5 CBBDRN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000592942059 355185344 /nfs/dbraw/zinc/18/53/44/355185344.db2.gz YMSPZILFLVINJG-RNFRBKRXSA-N 0 0 298.255 -0.686 20 5 CBBDRN O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593095823 355193605 /nfs/dbraw/zinc/19/36/05/355193605.db2.gz AZMVWDKEKFQKNA-NIHYUSDNSA-N 0 0 270.314 -0.004 20 5 CBBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000593248928 355198366 /nfs/dbraw/zinc/19/83/66/355198366.db2.gz HIECOVQWTKFPQE-SNVBAGLBSA-N 0 0 280.284 -0.186 20 5 CBBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)N1 ZINC000593412577 355204127 /nfs/dbraw/zinc/20/41/27/355204127.db2.gz LGTWPIIWJPXUBE-JTQLQIEISA-N 0 0 299.308 -0.097 20 5 CBBDRN COC(=O)[C@H](CCF)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000593798370 355219753 /nfs/dbraw/zinc/21/97/53/355219753.db2.gz BPQFVIFRWXXTLJ-ZETCQYMHSA-N 0 0 288.235 -0.191 20 5 CBBDRN CCc1n[nH]c(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000593813506 355221374 /nfs/dbraw/zinc/22/13/74/355221374.db2.gz GNKKQBPGVXAIKV-OLQVQODUSA-N 0 0 281.272 -0.126 20 5 CBBDRN CCN1C[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1=O ZINC000593826239 355222295 /nfs/dbraw/zinc/22/22/95/355222295.db2.gz DTERLQUUIHSLRC-ZETCQYMHSA-N 0 0 281.272 -0.084 20 5 CBBDRN CO[C@@](C)(CO)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000594382468 355244359 /nfs/dbraw/zinc/24/43/59/355244359.db2.gz WEYRBGXROMRUAJ-SNVBAGLBSA-N 0 0 272.261 -0.695 20 5 CBBDRN CO[C@](C)(CO)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000594381335 355244648 /nfs/dbraw/zinc/24/46/48/355244648.db2.gz HVCLXRWGUMBAKF-JTQLQIEISA-N 0 0 272.261 -0.695 20 5 CBBDRN CO[C@](C)(CO)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000594395769 355244861 /nfs/dbraw/zinc/24/48/61/355244861.db2.gz HQPKNLPPWXLELL-VIFPVBQESA-N 0 0 258.234 -0.555 20 5 CBBDRN COCCN(CCO)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000271830717 191354445 /nfs/dbraw/zinc/35/44/45/191354445.db2.gz WWRQVRAGKYYIDB-UHFFFAOYSA-N 0 0 272.261 -0.293 20 5 CBBDRN CC1(O)CN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594772319 355261241 /nfs/dbraw/zinc/26/12/41/355261241.db2.gz HWBYMGRRACJQOJ-UHFFFAOYSA-N 0 0 273.270 -0.255 20 5 CBBDRN O=C1NCC[C@@H]1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000594791206 355262877 /nfs/dbraw/zinc/26/28/77/355262877.db2.gz MZSSPCZOAFBLGW-JTQLQIEISA-N 0 0 299.308 -0.097 20 5 CBBDRN COC[C@@H](C(N)=O)N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595500981 355289424 /nfs/dbraw/zinc/28/94/24/355289424.db2.gz QJJYEVGSFHGPML-ZETCQYMHSA-N 0 0 272.261 -0.177 20 5 CBBDRN CCS(=O)(=O)C1CN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595519401 355291399 /nfs/dbraw/zinc/29/13/99/355291399.db2.gz OVBVYEXKYVUGDK-UHFFFAOYSA-N 0 0 288.329 -0.090 20 5 CBBDRN NC(=O)[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCN1 ZINC000596064917 355339999 /nfs/dbraw/zinc/33/99/99/355339999.db2.gz CVKRHCKLCQCMQQ-ZETCQYMHSA-N 0 0 285.691 -0.093 20 5 CBBDRN COCC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596081252 355341056 /nfs/dbraw/zinc/34/10/56/355341056.db2.gz SFHQJRRSVIKJQL-UHFFFAOYSA-N 0 0 296.283 -0.010 20 5 CBBDRN Cn1c(=O)cc(NCCn2cc([N+](=O)[O-])cn2)n(C)c1=O ZINC000596166918 355346762 /nfs/dbraw/zinc/34/67/62/355346762.db2.gz ZCDXBGGKRCPKCY-UHFFFAOYSA-N 0 0 294.271 -0.699 20 5 CBBDRN Nc1ccc(N2C[C@@H](O)C[C@@H]2CO)nc1[N+](=O)[O-] ZINC000596178834 355347319 /nfs/dbraw/zinc/34/73/19/355347319.db2.gz LRSZSKVDNXIPNJ-RQJHMYQMSA-N 0 0 254.246 -0.496 20 5 CBBDRN Nc1ccc(N2CC[C@H](CO)[C@@H](O)C2)nc1[N+](=O)[O-] ZINC000596207973 355348841 /nfs/dbraw/zinc/34/88/41/355348841.db2.gz UDFSAPXFGRWXCG-APPZFPTMSA-N 0 0 268.273 -0.249 20 5 CBBDRN CNC(=O)NCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596272509 355352681 /nfs/dbraw/zinc/35/26/81/355352681.db2.gz RSBMKPGYZROUIA-UHFFFAOYSA-N 0 0 282.260 -0.570 20 5 CBBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCNC1=O ZINC000596440061 355356984 /nfs/dbraw/zinc/35/69/84/355356984.db2.gz CWTASERENJVXGX-ZETCQYMHSA-N 0 0 252.230 -0.448 20 5 CBBDRN CN1C[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1=O ZINC000596489120 355357574 /nfs/dbraw/zinc/35/75/74/355357574.db2.gz CDMLCGKXIMKEGG-ZETCQYMHSA-N 0 0 293.283 -0.021 20 5 CBBDRN C[NH+](C)C[C@@H](CO)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000597653573 355403510 /nfs/dbraw/zinc/40/35/10/355403510.db2.gz LWALPOMREKBALK-QMMMGPOBSA-N 0 0 283.284 -0.047 20 5 CBBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCOCCN1 ZINC000597706879 355410915 /nfs/dbraw/zinc/41/09/15/355410915.db2.gz CGUCROFEMWEKPD-UHFFFAOYSA-N 0 0 269.261 -0.455 20 5 CBBDRN O=C(NCCn1cnnc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000597717141 355411764 /nfs/dbraw/zinc/41/17/64/355411764.db2.gz ZTXUSCRIFLMTJO-UHFFFAOYSA-N 0 0 251.206 -0.661 20 5 CBBDRN COC(=O)c1ccnc(N2C[C@H](O)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000598629049 355448138 /nfs/dbraw/zinc/44/81/38/355448138.db2.gz BFRNTEONNGPMEN-CBAPKCEASA-N 0 0 297.267 -0.434 20 5 CBBDRN Cn1c(C(=O)N[C@H]2CCNC2=O)ccc1[N+](=O)[O-] ZINC000597857497 355423279 /nfs/dbraw/zinc/42/32/79/355423279.db2.gz UVSNGQRBXJVQJC-LURJTMIESA-N 0 0 252.230 -0.448 20 5 CBBDRN COC[C@@H](CCNC(=O)Cn1cc([N+](=O)[O-])cn1)OC ZINC000597888765 355424260 /nfs/dbraw/zinc/42/42/60/355424260.db2.gz VZEWRUYXWJUKSH-SNVBAGLBSA-N 0 0 286.288 -0.041 20 5 CBBDRN CN(C[C@H]1COCCO1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598174572 355433289 /nfs/dbraw/zinc/43/32/89/355433289.db2.gz GGOMXZGVXNWXQW-ZETCQYMHSA-N 0 0 270.245 -0.195 20 5 CBBDRN CN(C[C@@H]1COCCO1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000598174571 355433353 /nfs/dbraw/zinc/43/33/53/355433353.db2.gz GGOMXZGVXNWXQW-SSDOTTSWSA-N 0 0 270.245 -0.195 20 5 CBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@](O)(C2CC2)C1 ZINC000598187375 355434238 /nfs/dbraw/zinc/43/42/38/355434238.db2.gz RJYRDIBODKVAAU-LBPRGKRZSA-N 0 0 295.299 -0.050 20 5 CBBDRN C[C@]12COC[C@H]1CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000598232358 355435144 /nfs/dbraw/zinc/43/51/44/355435144.db2.gz PRGCJMVLAZOMAF-KCJUWKMLSA-N 0 0 281.272 -0.319 20 5 CBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NCC(O)(C1CC1)C1CC1 ZINC000598288427 355437279 /nfs/dbraw/zinc/43/72/79/355437279.db2.gz IGLWMYSVHRIYAZ-UHFFFAOYSA-N 0 0 295.299 -0.146 20 5 CBBDRN CC(C)(C(=O)NC[C@@H]1CCC(=O)N1)n1cc([N+](=O)[O-])cn1 ZINC000598299096 355438167 /nfs/dbraw/zinc/43/81/67/355438167.db2.gz ARGNQMNIRPXTFW-QMMMGPOBSA-N 0 0 295.299 -0.079 20 5 CBBDRN Cn1c(C(=O)NC[C@@H]2CCC(=O)N2)ccc1[N+](=O)[O-] ZINC000598309122 355438175 /nfs/dbraw/zinc/43/81/75/355438175.db2.gz PNSDKFKKRCTLRY-ZETCQYMHSA-N 0 0 266.257 -0.058 20 5 CBBDRN Cc1nn(C)c(C(=O)N2CCC(=O)N(C)CC2)c1[N+](=O)[O-] ZINC000598293985 355438179 /nfs/dbraw/zinc/43/81/79/355438179.db2.gz NCFHXEQWMOMVNQ-UHFFFAOYSA-N 0 0 295.299 -0.059 20 5 CBBDRN C[C@@H](O)C1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000598387211 355439579 /nfs/dbraw/zinc/43/95/79/355439579.db2.gz SDXQMUIXPRJXBN-SSDOTTSWSA-N 0 0 254.246 -0.179 20 5 CBBDRN C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@]1(C)CO ZINC000598447093 355441580 /nfs/dbraw/zinc/44/15/80/355441580.db2.gz HBFDLBBVTYEXCO-KWQFWETISA-N 0 0 283.288 -0.337 20 5 CBBDRN COC(=O)[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 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ZINC000567061490 420446841 /nfs/dbraw/zinc/44/68/41/420446841.db2.gz YIWDRSQQGNUZCS-ZETCQYMHSA-N 0 0 293.283 -0.008 20 5 CBBDRN C[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[S@@]1=O ZINC000581833796 420471533 /nfs/dbraw/zinc/47/15/33/420471533.db2.gz XCFFYEBKTDJXCT-SVWIBVJCSA-N 0 0 298.324 0.165 20 5 CBBDRN Nc1nccc(C(=O)N2CCn3ncnc3C2)c1[N+](=O)[O-] ZINC000570696140 420453563 /nfs/dbraw/zinc/45/35/63/420453563.db2.gz JPTMALRSAQVBPR-UHFFFAOYSA-N 0 0 289.255 -0.181 20 5 CBBDRN CCn1ncnc1CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000570823543 420454385 /nfs/dbraw/zinc/45/43/85/420454385.db2.gz KAVWBCHXIUKWJL-UHFFFAOYSA-N 0 0 291.271 0.113 20 5 CBBDRN CNC(=O)C[C@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000576171688 420462120 /nfs/dbraw/zinc/46/21/20/420462120.db2.gz UECMETBKLRVWLM-ZETCQYMHSA-N 0 0 295.299 0.286 20 5 CBBDRN CNc1nccc(C(=O)N2CC(=O)N(C)C2)c1[N+](=O)[O-] ZINC000577885141 420465063 /nfs/dbraw/zinc/46/50/63/420465063.db2.gz DUCKTIZYKRZZCE-UHFFFAOYSA-N 0 0 279.256 -0.097 20 5 CBBDRN C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)NCCF ZINC000578376961 420465962 /nfs/dbraw/zinc/46/59/62/420465962.db2.gz BFFCLQVVBJXTMU-ZCFIWIBFSA-N 0 0 299.262 -0.224 20 5 CBBDRN C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C(=O)NCCF ZINC000578376960 420466649 /nfs/dbraw/zinc/46/66/49/420466649.db2.gz BFFCLQVVBJXTMU-LURJTMIESA-N 0 0 299.262 -0.224 20 5 CBBDRN Cc1cc(NCCc2nc(N)n[nH]2)ncc1[N+](=O)[O-] ZINC000590567545 420479038 /nfs/dbraw/zinc/47/90/38/420479038.db2.gz NVOSYLXBGIKTOA-UHFFFAOYSA-N 0 0 263.261 0.075 20 5 CBBDRN Nc1nc(NC[C@@H]2CCCNC2=O)ncc1[N+](=O)[O-] ZINC000591183103 420479743 /nfs/dbraw/zinc/47/97/43/420479743.db2.gz KKYSGHVDYDWBHO-LURJTMIESA-N 0 0 266.261 -0.673 20 5 CBBDRN Nc1nc(N2C[C@@H]3C[C@H]2C[S@]3=O)ncc1[N+](=O)[O-] ZINC000593508546 420483732 /nfs/dbraw/zinc/48/37/32/420483732.db2.gz HVANTWUJTCLYLJ-OHJQTGGRSA-N 0 0 269.286 -0.323 20 5 CBBDRN COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000593502704 420483884 /nfs/dbraw/zinc/48/38/84/420483884.db2.gz BNTKJSKEBXOVNX-XPUUQOCRSA-N 0 0 297.271 -0.266 20 5 CBBDRN CNc1nccc(C(=O)N[C@@](C)(CO)COC)c1[N+](=O)[O-] ZINC000594342814 420484136 /nfs/dbraw/zinc/48/41/36/420484136.db2.gz IYJZFAGWFOIEAP-LBPRGKRZSA-N 0 0 298.299 0.159 20 5 CBBDRN CNc1nccc(C(=O)N2CCOC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000594366775 420484158 /nfs/dbraw/zinc/48/41/58/420484158.db2.gz JNKDXTNDUJUAQP-QMMMGPOBSA-N 0 0 296.283 -0.135 20 5 CBBDRN C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1O ZINC000594334604 420484189 /nfs/dbraw/zinc/48/41/89/420484189.db2.gz DEYSARYADLQBBS-SVRRBLITSA-N 0 0 266.257 0.025 20 5 CBBDRN C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC(=O)N1C ZINC000594355655 420484389 /nfs/dbraw/zinc/48/43/89/420484389.db2.gz FSMSKXVAIDJYQD-SSDOTTSWSA-N 0 0 293.283 -0.125 20 5 CBBDRN CNc1nccc(C(=O)N[C@H](CO)CCF)c1[N+](=O)[O-] ZINC000594373363 420484419 /nfs/dbraw/zinc/48/44/19/420484419.db2.gz RQCPRMZFZYSTGM-ZETCQYMHSA-N 0 0 286.263 0.482 20 5 CBBDRN CNc1nccc(C(=O)N2C[C@@H](C)[C@H](O)C2)c1[N+](=O)[O-] ZINC000594335938 420484443 /nfs/dbraw/zinc/48/44/43/420484443.db2.gz YUMFRHCMFRPIRS-VXNVDRBHSA-N 0 0 280.284 0.484 20 5 CBBDRN C[C@@H]1C(=O)N(C)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594371250 420484459 /nfs/dbraw/zinc/48/44/59/420484459.db2.gz IOURONWOKZMGNQ-ZCFIWIBFSA-N 0 0 279.256 -0.168 20 5 CBBDRN C[C@H]1OCC[C@@]1(O)CNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594348046 420484499 /nfs/dbraw/zinc/48/44/99/420484499.db2.gz PHECKKWXMJAPTO-JMCQJSRRSA-N 0 0 296.283 -0.158 20 5 CBBDRN Nc1nccc(C(=O)NCCCn2cncn2)c1[N+](=O)[O-] ZINC000594250342 420484583 /nfs/dbraw/zinc/48/45/83/420484583.db2.gz OJKGTTNSOCLXAP-UHFFFAOYSA-N 0 0 291.271 -0.016 20 5 CBBDRN CCN1CC[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1=O ZINC000594357088 420484765 /nfs/dbraw/zinc/48/47/65/420484765.db2.gz SMDBIWZCNRWHMH-MRVPVSSYSA-N 0 0 293.283 -0.077 20 5 CBBDRN CNc1nccc(C(=O)N2C[C@H](O)C[C@@H]2CO)c1[N+](=O)[O-] ZINC000594330626 420484888 /nfs/dbraw/zinc/48/48/88/420484888.db2.gz FWBYSKLSUYKGAT-HTQZYQBOSA-N 0 0 296.283 -0.401 20 5 CBBDRN Nc1ccc(NCC2(CO)COC2)nc1[N+](=O)[O-] ZINC000596169986 420487706 /nfs/dbraw/zinc/48/77/06/420487706.db2.gz NDVKTJJLBPEOBC-UHFFFAOYSA-N 0 0 254.246 -0.007 20 5 CBBDRN Nc1ccc(NC[C@@H]2CCCNC2=O)nc1[N+](=O)[O-] ZINC000596270244 420488568 /nfs/dbraw/zinc/48/85/68/420488568.db2.gz XMBDGSCHDRTIEK-ZETCQYMHSA-N 0 0 265.273 0.510 20 5 CBBDRN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCNC1=O ZINC000597445597 420489933 /nfs/dbraw/zinc/48/99/33/420489933.db2.gz DXVFSQWXWCNQLF-ZETCQYMHSA-N 0 0 289.251 0.546 20 5 CBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(C2CC2)[nH]n1 ZINC000597777416 420490178 /nfs/dbraw/zinc/49/01/78/420490178.db2.gz FOFDKTWIZGNWSN-UHFFFAOYSA-N 0 0 277.244 0.426 20 5 CBBDRN CNc1nccc(C(=O)N[C@H]2C[C@H](O)C2)c1[N+](=O)[O-] ZINC000598527843 420491018 /nfs/dbraw/zinc/49/10/18/420491018.db2.gz HEIACFXSOKCMHP-KNVOCYPGSA-N 0 0 266.257 0.285 20 5 CBBDRN COC(=O)CCNC(=O)CCNc1ncc([N+](=O)[O-])cn1 ZINC000599170495 420491153 /nfs/dbraw/zinc/49/11/53/420491153.db2.gz RRUTVPOQIOZTHM-UHFFFAOYSA-N 0 0 297.271 -0.134 20 5 CBBDRN COC(=O)C[C@H](O)CNc1ncc([N+](=O)[O-])s1 ZINC000599165015 420491435 /nfs/dbraw/zinc/49/14/35/420491435.db2.gz NXWJBRPZHWLWLL-YFKPBYRVSA-N 0 0 261.259 0.387 20 5 CBBDRN COC[C@](C)(O)CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000609564108 420494562 /nfs/dbraw/zinc/49/45/62/420494562.db2.gz HVRALLDLKZYHDX-SECBINFHSA-N 0 0 257.250 -0.224 20 5 CBBDRN COC[C@](C)(O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000525777160 262207094 /nfs/dbraw/zinc/20/70/94/262207094.db2.gz KILNLIHPHUUAMZ-LLVKDONJSA-N 0 0 286.288 -0.305 20 5 CBBDRN Cc1nn(C)c(C(=O)N2CCN(C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000188428197 262296302 /nfs/dbraw/zinc/29/63/02/262296302.db2.gz OELZFAIKFOPPDX-QMMMGPOBSA-N 0 0 295.299 -0.061 20 5 CBBDRN NC(=O)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000044859392 269564029 /nfs/dbraw/zinc/56/40/29/269564029.db2.gz BOGHFAOWEYHJMW-QMMMGPOBSA-N 0 0 281.272 -0.485 20 5 CBBDRN COC(=O)[C@@]1(NC(=O)c2cc([N+](=O)[O-])cn2C)CCOC1 ZINC000530795803 269643622 /nfs/dbraw/zinc/64/36/22/269643622.db2.gz YJEHFTKWWHGYSH-GFCCVEGCSA-N 0 0 297.267 -0.005 20 5 CBBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000531226953 269646082 /nfs/dbraw/zinc/64/60/82/269646082.db2.gz QDIIYHJSEDZGNN-SECBINFHSA-N 0 0 293.283 -0.217 20 5 CBBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H](O)C1CCOCC1 ZINC000532689441 269652087 /nfs/dbraw/zinc/65/20/87/269652087.db2.gz ALMLDRVMCVBNHU-NSHDSACASA-N 0 0 298.299 -0.305 20 5 CBBDRN CC(C)c1n[nH]c(C(=O)N(C)C[C@@H](O)CO)c1[N+](=O)[O-] ZINC000354163197 276040079 /nfs/dbraw/zinc/04/00/79/276040079.db2.gz YFEOGTRQMIQSAU-SSDOTTSWSA-N 0 0 286.288 -0.134 20 5 CBBDRN CNc1nc(C(=O)N[C@@H]2CN(C)NC2=O)ccc1[N+](=O)[O-] ZINC000455987916 277045174 /nfs/dbraw/zinc/04/51/74/277045174.db2.gz DBOPTKKYYQKMDT-SSDOTTSWSA-N 0 0 294.271 -0.894 20 5 CBBDRN C[C@H](CO)N(C[C@H](C)O)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000289216880 278212480 /nfs/dbraw/zinc/21/24/80/278212480.db2.gz VQMUYDFBALSWMC-RQJHMYQMSA-N 0 0 272.261 -0.478 20 5 CBBDRN C[C@H]1CC(=O)NCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371340391 278322435 /nfs/dbraw/zinc/32/24/35/278322435.db2.gz DUSUATDIVDORCW-JTQLQIEISA-N 0 0 294.311 -0.033 20 5 CBBDRN NC(=O)[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CCO1 ZINC000340263685 279591848 /nfs/dbraw/zinc/59/18/48/279591848.db2.gz KCAFJCASRDYMOU-SSDOTTSWSA-N 0 0 292.255 -0.672 20 5 CBBDRN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN2C(=O)OC[C@H]2C1 ZINC000494130611 280240036 /nfs/dbraw/zinc/24/00/36/280240036.db2.gz CGGFFEHOVUPARL-ZCFIWIBFSA-N 0 0 281.228 -0.406 20 5 CBBDRN Cc1ccc([N+](=O)[O-])c(N2CCN[C@@H](C(N)=O)C2)n1 ZINC000269065766 281012982 /nfs/dbraw/zinc/01/29/82/281012982.db2.gz YUBCCFPPUIGIDE-MRVPVSSYSA-N 0 0 265.273 -0.438 20 5 CBBDRN C[C@H](O)C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286007948 290137647 /nfs/dbraw/zinc/13/76/47/290137647.db2.gz HZTORYGFRUMSMN-JGVFFNPUSA-N 0 0 284.272 -0.070 20 5 CBBDRN NC(=O)[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CCO1 ZINC000354404185 295117482 /nfs/dbraw/zinc/11/74/82/295117482.db2.gz DJADGXMMNIMOKX-VIFPVBQESA-N 0 0 294.267 -0.497 20 5 CBBDRN NC(=O)c1cccc(N2CCNC(=O)C2)c1[N+](=O)[O-] ZINC000341819773 303346797 /nfs/dbraw/zinc/34/67/97/303346797.db2.gz HLPGWIAFFYXKMS-UHFFFAOYSA-N 0 0 264.241 -0.370 20 5 CBBDRN [NH3+][C@@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000569139739 327038375 /nfs/dbraw/zinc/03/83/75/327038375.db2.gz SSYXZIPCOVKQMS-PSASIEDQSA-N 0 0 295.274 -0.123 20 5 CBBDRN C[C@@H]1CN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CCO1 ZINC000558749126 327118817 /nfs/dbraw/zinc/11/88/17/327118817.db2.gz QPDBIPNVFSXXGU-MRVPVSSYSA-N 0 0 283.288 -0.232 20 5 CBBDRN CCN(CCOCCO)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000559051393 327139108 /nfs/dbraw/zinc/13/91/08/327139108.db2.gz GDLGFZKIBPHQRN-UHFFFAOYSA-N 0 0 272.261 -0.211 20 5 CBBDRN CNC(=O)[C@@H](NC(=O)c1c[nH]nc1[N+](=O)[O-])C(C)C ZINC000559056638 327139259 /nfs/dbraw/zinc/13/92/59/327139259.db2.gz VFQNJFQXXXRRHO-ZETCQYMHSA-N 0 0 269.261 -0.182 20 5 CBBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000583762831 329475447 /nfs/dbraw/zinc/47/54/47/329475447.db2.gz HNUSORHYPICFGD-SSDOTTSWSA-N 0 0 280.240 -0.580 20 5 CBBDRN CN1C(=O)C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1=O ZINC000567914435 334775312 /nfs/dbraw/zinc/77/53/12/334775312.db2.gz UMTRTEIQQOPMFL-LURJTMIESA-N 0 0 294.223 -0.818 20 5 CBBDRN NC(=O)[C@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOC1 ZINC000569257619 334863934 /nfs/dbraw/zinc/86/39/34/334863934.db2.gz DFBFMDQGTXXPOP-JTQLQIEISA-N 0 0 268.229 -0.703 20 5 CBBDRN Cn1cnc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC000576540284 335216916 /nfs/dbraw/zinc/21/69/16/335216916.db2.gz RFLNUUCZOSOHKG-UHFFFAOYSA-N 0 0 251.206 -0.442 20 5 CBBDRN CCc1n[nH]c(C(=O)N[C@H]2CC(=O)N(C)C2=O)c1[N+](=O)[O-] ZINC000576597094 335224737 /nfs/dbraw/zinc/22/47/37/335224737.db2.gz HUTKHMAOGNWKJH-LURJTMIESA-N 0 0 295.255 -0.633 20 5 CBBDRN Cn1cnc([N+](=O)[O-])c1N1CC[C@H](CO)[C@H](O)C1 ZINC000577014328 335282036 /nfs/dbraw/zinc/28/20/36/335282036.db2.gz ZLMHBHWBBXAVLZ-HTQZYQBOSA-N 0 0 256.262 -0.492 20 5 CBBDRN 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353888932 /nfs/dbraw/zinc/88/89/32/353888932.db2.gz DWUFYQJBBZAGPH-MRVPVSSYSA-N 0 0 295.299 -0.013 20 5 CBBDRN C[C@H]1OCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1C ZINC000408350127 353899956 /nfs/dbraw/zinc/89/99/56/353899956.db2.gz YCAMSVVFXUWPBX-JGVFFNPUSA-N 0 0 269.261 -0.178 20 5 CBBDRN NS(=O)(=O)C1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000413570294 353956337 /nfs/dbraw/zinc/95/63/37/353956337.db2.gz OUFAVRIAEXHWNQ-UHFFFAOYSA-N 0 0 297.296 -0.052 20 5 CBBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](CO)O1 ZINC000421950034 354141466 /nfs/dbraw/zinc/14/14/66/354141466.db2.gz YASXGNZGTWUFHL-SSDOTTSWSA-N 0 0 284.272 -0.070 20 5 CBBDRN CCCc1n[nH]c(C(=O)NCc2nnn(C)n2)c1[N+](=O)[O-] ZINC000428830393 354246954 /nfs/dbraw/zinc/24/69/54/354246954.db2.gz QVMHAQANRYADDT-UHFFFAOYSA-N 0 0 294.275 -0.276 20 5 CBBDRN CCC(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000425021676 354233739 /nfs/dbraw/zinc/23/37/39/354233739.db2.gz URRPKCRPEJPBGZ-UHFFFAOYSA-N 0 0 281.272 -0.170 20 5 CBBDRN 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657810434 /nfs/dbraw/zinc/81/04/34/657810434.db2.gz WZFZHYLFBJKZJO-UHFFFAOYSA-N 0 0 297.315 -0.024 20 5 CBBDRN COCC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001018686248 657838304 /nfs/dbraw/zinc/83/83/04/657838304.db2.gz WTWUXNHDXDLHIG-NXEZZACHSA-N 0 0 297.311 -0.641 20 5 CBBDRN O=C(N[C@H]1C[C@H](NCc2cnsn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138806 658017068 /nfs/dbraw/zinc/01/70/68/658017068.db2.gz BHKXQWGKWLPLCY-KHUVANEUSA-N 0 0 297.340 -0.060 20 5 CBBDRN CN1C[C@@H](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1=O ZINC000927738002 658945422 /nfs/dbraw/zinc/94/54/22/658945422.db2.gz CHKHVFNODYXLED-DJLDLDEBSA-N 0 0 255.274 -0.364 20 5 CBBDRN CCN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O ZINC000928867080 659071631 /nfs/dbraw/zinc/07/16/31/659071631.db2.gz KNOPHERFFONDJY-IWSPIJDZSA-N 0 0 255.274 -0.221 20 5 CBBDRN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccon1 ZINC000973062314 659136745 /nfs/dbraw/zinc/13/67/45/659136745.db2.gz ZWJAIGNZIYAVBC-FDDDBJFASA-N 0 0 294.267 -0.283 20 5 CBBDRN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cn[nH]c1 ZINC000973922833 659157743 /nfs/dbraw/zinc/15/77/43/659157743.db2.gz XTTPPFXLHWMMRZ-UTINFBMNSA-N 0 0 293.283 -0.548 20 5 CBBDRN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cnco1 ZINC000974116656 659161762 /nfs/dbraw/zinc/16/17/62/659161762.db2.gz SVJLQOHHDJHDGF-BZNPZCIMSA-N 0 0 294.267 -0.283 20 5 CBBDRN O=C(N[C@@H]1[C@H]2CN(C(=O)C3CC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976479666 659186326 /nfs/dbraw/zinc/18/63/26/659186326.db2.gz AFVKISIKHXLLFC-NZFPMDFQSA-N 0 0 279.296 -0.365 20 5 CBBDRN CS(=O)(=O)NCC1CCN(CC[N+](=O)[O-])CC1 ZINC000930448604 659287414 /nfs/dbraw/zinc/28/74/14/659287414.db2.gz GQCCTGYVOUEZPX-UHFFFAOYSA-N 0 0 265.335 -0.476 20 5 CBBDRN C[C@@H]1[C@H](C)N(CC[N+](=O)[O-])CCN1CC[N+](=O)[O-] ZINC000931074518 659382329 /nfs/dbraw/zinc/38/23/29/659382329.db2.gz XJPFMFMOXDWWPT-AOOOYVTPSA-N 0 0 260.294 -0.066 20 5 CBBDRN Cc1cc(=O)[nH]c(N2CCN(CC[N+](=O)[O-])CC2)n1 ZINC000931748179 659519341 /nfs/dbraw/zinc/51/93/41/659519341.db2.gz KFKXPCAIDDUJEA-UHFFFAOYSA-N 0 0 267.289 -0.111 20 5 CBBDRN O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1cscn1 ZINC000990470937 659746570 /nfs/dbraw/zinc/74/65/70/659746570.db2.gz NEAICDZFLFICJE-VXNVDRBHSA-N 0 0 296.308 -0.251 20 5 CBBDRN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]1CO ZINC000934015803 659756932 /nfs/dbraw/zinc/75/69/32/659756932.db2.gz BWSSTEVYNMWISB-JTQLQIEISA-N 0 0 253.258 -0.177 20 5 CBBDRN CO[C@@H]1C[C@H]1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000934949490 659813090 /nfs/dbraw/zinc/81/30/90/659813090.db2.gz CVWFSJQHEJAYSD-RKDXNWHRSA-N 0 0 254.246 -0.058 20 5 CBBDRN O=C(NC1CN(C(=O)c2cscn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991282170 659829828 /nfs/dbraw/zinc/82/98/28/659829828.db2.gz XPYSKDFTJIKUCG-VXNVDRBHSA-N 0 0 296.308 -0.251 20 5 CBBDRN Cc1nc[nH]c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991287350 659830345 /nfs/dbraw/zinc/83/03/45/659830345.db2.gz IZJAHBMTKHUGGT-RKDXNWHRSA-N 0 0 293.283 -0.676 20 5 CBBDRN O=C(NC1CN(C(=O)c2ccncn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991292229 659830876 /nfs/dbraw/zinc/83/08/76/659830876.db2.gz DIKKJRUHDYUTIC-PSASIEDQSA-N 0 0 291.267 -0.918 20 5 CBBDRN O=C(CC1(O)CCC1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991299227 659831399 /nfs/dbraw/zinc/83/13/99/659831399.db2.gz SRWPZBYJBSNFPD-NXEZZACHSA-N 0 0 297.311 -0.716 20 5 CBBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000935854596 659845108 /nfs/dbraw/zinc/84/51/08/659845108.db2.gz QFILIEMCKXNZGF-AOOOYVTPSA-N 0 0 296.283 -0.274 20 5 CBBDRN