smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC001167609105 897015227 /nfs/dbraw/zinc/01/52/27/897015227.db2.gz SBIBKLSOHIDIFD-SNVBAGLBSA-N 0 1 278.312 1.077 10 5 CDBEMN O=C(N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001118782036 937666359 /nfs/dbraw/zinc/66/63/59/937666359.db2.gz WZVPFVKKNIJOTF-SYHAXYEDSA-N 0 1 260.240 1.202 10 5 CDBEMN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCN(C)CC2)n1 ZINC001290032939 954023159 /nfs/dbraw/zinc/02/31/59/954023159.db2.gz VNFNQRSZAMBDCD-UHFFFAOYSA-N 0 1 278.312 1.076 10 5 CDBEMN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnncc1O ZINC001291852350 954116526 /nfs/dbraw/zinc/11/65/26/954116526.db2.gz BPHHFDQLQUYYTM-UHFFFAOYSA-N 0 1 274.236 1.020 10 5 CDBEMN CSc1ccc(C(=O)N(C)c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001528749214 968920220 /nfs/dbraw/zinc/92/02/20/968920220.db2.gz NBJVJDFPVHMTRZ-UHFFFAOYSA-N 0 1 294.296 1.106 10 5 CDBEMN O=[N+]([O-])c1cc(F)cnc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000601171278 342485865 /nfs/dbraw/zinc/48/58/65/342485865.db2.gz KVTCMRRAYBRQCP-PHIMTYICSA-N 0 1 296.302 1.404 10 5 CDBEMN COC[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000050815183 522591672 /nfs/dbraw/zinc/59/16/72/522591672.db2.gz UXPUKYOJNGHFNN-VIFPVBQESA-N 0 1 253.302 1.644 10 5 CDBEMN CN1CCN(Cc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000216834295 342048473 /nfs/dbraw/zinc/04/84/73/342048473.db2.gz VIACHKIDQHABLY-UHFFFAOYSA-N 0 1 253.277 1.481 10 5 CDBEMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000593288339 342784559 /nfs/dbraw/zinc/78/45/59/342784559.db2.gz HZMARXISIIUOOL-JTQLQIEISA-N 0 1 282.296 1.769 10 5 CDBEMN O=C1NCCC[C@@H]1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594493881 342913831 /nfs/dbraw/zinc/91/38/31/342913831.db2.gz UFKZQDIOIZMPDA-RYUDHWBXSA-N 0 1 275.308 1.450 10 5 CDBEMN CCN1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000534293512 282179565 /nfs/dbraw/zinc/17/95/65/282179565.db2.gz NLMHJDZXUDABGF-WDEREUQCSA-N 0 1 292.339 1.545 10 5 CDBEMN O=C([O-])C12CC(C1)C[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000594733771 342949429 /nfs/dbraw/zinc/94/94/29/342949429.db2.gz FGTYZOVJCQMMLG-UHFFFAOYSA-N 0 1 292.291 1.523 10 5 CDBEMN C[C@H]1CCC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594748012 342953679 /nfs/dbraw/zinc/95/36/79/342953679.db2.gz YHDGNKDSYJQAMW-VHSXEESVSA-N 0 1 299.352 1.847 10 5 CDBEMN C[C@H](F)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594776413 342960894 /nfs/dbraw/zinc/96/08/94/342960894.db2.gz ALFJCNVGQWAQOM-ZETCQYMHSA-N 0 1 277.277 1.016 10 5 CDBEMN CNC(=O)[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595547708 343085113 /nfs/dbraw/zinc/08/51/13/343085113.db2.gz VQPKEMKTXXGEHH-JTQLQIEISA-N 0 1 281.287 1.302 10 5 CDBEMN Cc1noc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000595501110 343078013 /nfs/dbraw/zinc/07/80/13/343078013.db2.gz HNZBWEFVYHHYQQ-VHSXEESVSA-N 0 1 266.301 1.027 10 5 CDBEMN Cc1cc(NCCc2nc[nH]n2)c([N+](=O)[O-])s1 ZINC000596158223 343255069 /nfs/dbraw/zinc/25/50/69/343255069.db2.gz UUSZUDYMGBTSOH-UHFFFAOYSA-N 0 1 253.287 1.737 10 5 CDBEMN COCc1nc(CNc2sccc2[N+](=O)[O-])n[nH]1 ZINC000596435792 343320738 /nfs/dbraw/zinc/32/07/38/343320738.db2.gz ISQNYGQWGXYONC-UHFFFAOYSA-N 0 1 269.286 1.533 10 5 CDBEMN COCc1nnc(CNc2sccc2[N+](=O)[O-])[nH]1 ZINC000596435792 343320739 /nfs/dbraw/zinc/32/07/39/343320739.db2.gz ISQNYGQWGXYONC-UHFFFAOYSA-N 0 1 269.286 1.533 10 5 CDBEMN O=C1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCN1C1CC1 ZINC000093444481 347048889 /nfs/dbraw/zinc/04/88/89/347048889.db2.gz BPNJZEWWYOYFRG-UHFFFAOYSA-N 0 1 291.307 1.107 10 5 CDBEMN O=C(Nc1cnn(-c2ccccc2F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000088232745 346029957 /nfs/dbraw/zinc/02/99/57/346029957.db2.gz UNFRVCNWYXZHHL-BXKDBHETSA-N 0 1 290.254 1.615 10 5 CDBEMN Cc1[nH]nc(C(=O)N2CC(C3CCOCC3)C2)c1[N+](=O)[O-] ZINC000619730195 350839727 /nfs/dbraw/zinc/83/97/27/350839727.db2.gz MWFUJNJGBLCIAN-UHFFFAOYSA-N 0 1 294.311 1.125 10 5 CDBEMN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1COCCN1 ZINC000236204468 363026386 /nfs/dbraw/zinc/02/63/86/363026386.db2.gz WFFIWRIYTIVBIR-VIFPVBQESA-N 0 1 255.249 1.134 10 5 CDBEMN Cn1nccc1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000558852131 356048908 /nfs/dbraw/zinc/04/89/08/356048908.db2.gz FIUMVASNFOAVHC-UHFFFAOYSA-N 0 1 286.335 1.929 10 5 CDBEMN COCC[C@H](COC)NCc1csc([N+](=O)[O-])c1 ZINC000336795803 356268337 /nfs/dbraw/zinc/26/83/37/356268337.db2.gz NJADRLOEADJHHV-SNVBAGLBSA-N 0 1 274.342 1.797 10 5 CDBEMN C[C@H]1CC[C@](CO)(NCC[N+](=O)[O-])c2ccccc21 ZINC001660638299 1172247448 /nfs/dbraw/zinc/24/74/48/1172247448.db2.gz ZFQHHFLIDXYLTG-SMDDNHRTSA-N 0 1 264.325 1.638 10 5 CDBEMN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CN2CCC1CC2 ZINC000347954104 359971565 /nfs/dbraw/zinc/97/15/65/359971565.db2.gz RXDZGVVMOMOGJI-GFCCVEGCSA-N 0 1 278.312 1.089 10 5 CDBEMN Cc1cc(C[C@H](C)NC(=O)c2ccc([N+](=O)[O-])o2)n[nH]1 ZINC000162411316 367296884 /nfs/dbraw/zinc/29/68/84/367296884.db2.gz LLTAIPJSYQONSO-ZETCQYMHSA-N 0 1 278.268 1.580 10 5 CDBEMN CCc1nn(C)c(N[C@@H]2CCc3[nH]cnc3C2)c1[N+](=O)[O-] ZINC000368185557 371821576 /nfs/dbraw/zinc/82/15/76/371821576.db2.gz UVRLZHRTOMXTAE-MRVPVSSYSA-N 0 1 290.327 1.583 10 5 CDBEMN Cc1cnc(NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000231138075 376317366 /nfs/dbraw/zinc/31/73/66/376317366.db2.gz GLHUXGINJAAMMB-JTQLQIEISA-N 0 1 250.302 1.804 10 5 CDBEMN CC(C)[C@@H]1C[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCO1 ZINC000452812126 252179580 /nfs/dbraw/zinc/17/95/80/252179580.db2.gz DQWSRYAZNXWVCT-KOLCDFICSA-N 0 1 296.327 1.499 10 5 CDBEMN CNC(=O)[C@]1(C)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000281317233 195195350 /nfs/dbraw/zinc/19/53/50/195195350.db2.gz XYIUYNQHXOENQQ-GFCCVEGCSA-N 0 1 283.353 1.614 10 5 CDBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCc2[nH]nnc2C1 ZINC000359742516 390216187 /nfs/dbraw/zinc/21/61/87/390216187.db2.gz KCUYRRHKLDAAAW-UHFFFAOYSA-N 0 1 287.279 1.220 10 5 CDBEMN CC(C)Nc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040597694 174349355 /nfs/dbraw/zinc/34/93/55/174349355.db2.gz XGTXFIREQFUOEN-UHFFFAOYSA-N 0 1 268.321 1.920 10 5 CDBEMN CN(C)c1ncnc(Nc2ccccn2)c1[N+](=O)[O-] ZINC000040608420 174353255 /nfs/dbraw/zinc/35/32/55/174353255.db2.gz RLCIQWNTULXBOI-UHFFFAOYSA-N 0 1 260.257 1.589 10 5 CDBEMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1nn[nH]n1 ZINC000044373450 175168609 /nfs/dbraw/zinc/16/86/09/175168609.db2.gz NXTMIACMHYCYRW-RXMQYKEDSA-N 0 1 268.664 1.934 10 5 CDBEMN C[C@@H](O)CN1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000192790702 274270828 /nfs/dbraw/zinc/27/08/28/274270828.db2.gz JHQOTSPLTCOOLZ-WDEREUQCSA-N 0 1 294.355 1.068 10 5 CDBEMN CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2F)CC1 ZINC000366825213 277050736 /nfs/dbraw/zinc/05/07/36/277050736.db2.gz WMSMDUGSGIGLDJ-UHFFFAOYSA-N 0 1 281.287 1.512 10 5 CDBEMN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000156057458 289257083 /nfs/dbraw/zinc/25/70/83/289257083.db2.gz OVYPERAWULPZLJ-PELKAZGASA-N 0 1 286.291 1.981 10 5 CDBEMN COc1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C ZINC000077961174 483547849 /nfs/dbraw/zinc/54/78/49/483547849.db2.gz ZCDGJVICAUHVBY-MNOVXSKESA-N 0 1 265.265 1.712 10 5 CDBEMN Cc1cc(C)c(OC[C@@](N)(C(N)=O)C2CC2)c([N+](=O)[O-])c1 ZINC000069198317 524311479 /nfs/dbraw/zinc/31/14/79/524311479.db2.gz GNKZMHCNHCQNQP-AWEZNQCLSA-N 0 1 293.323 1.183 10 5 CDBEMN NC(=O)[C@@](N)(COc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000069194195 526988628 /nfs/dbraw/zinc/98/86/28/526988628.db2.gz GYMFTWTWAMIHDR-GFCCVEGCSA-N 0 1 299.714 1.220 10 5 CDBEMN O=Cc1ccc([N+](=O)[O-])c(OCCN2CCCC2)c1 ZINC000050517531 527150709 /nfs/dbraw/zinc/15/07/09/527150709.db2.gz CZLMTYRHSJGRCS-UHFFFAOYSA-N 0 1 264.281 1.882 10 5 CDBEMN O=C(OC/C=C\Br)c1ccc([N+](=O)[O-])[nH]1 ZINC000813932214 617381870 /nfs/dbraw/zinc/38/18/70/617381870.db2.gz PBZLWCKUJGTLCK-RJRFIUFISA-N 0 1 275.058 1.988 10 5 CDBEMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN1C ZINC000930885247 617557785 /nfs/dbraw/zinc/55/77/85/617557785.db2.gz UHPSDJHISRGRBI-SNVBAGLBSA-N 0 1 294.311 1.429 10 5 CDBEMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(N2CCCC2)C1 ZINC000912325049 629935443 /nfs/dbraw/zinc/93/54/43/629935443.db2.gz OBBVGHWNJJYJOS-UHFFFAOYSA-N 0 1 289.335 1.823 10 5 CDBEMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c[nH]nn1 ZINC000789928336 677931790 /nfs/dbraw/zinc/93/17/90/677931790.db2.gz XQACOOXHTYPOOG-UHFFFAOYSA-N 0 1 276.256 1.154 10 5 CDBEMN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839784023 678061313 /nfs/dbraw/zinc/06/13/13/678061313.db2.gz OIDFGUCGQNTISJ-JQCXWYLXSA-N 0 1 280.246 1.841 10 5 CDBEMN COc1ccc([C@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c(OC)c1 ZINC000862855524 678141399 /nfs/dbraw/zinc/14/13/99/678141399.db2.gz KIRQACNFMVLGPI-XXILOJSOSA-N 0 1 294.307 1.546 10 5 CDBEMN O=C(Nc1c[nH]nn1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000789928757 678664385 /nfs/dbraw/zinc/66/43/85/678664385.db2.gz ZOGHMCDYJCWXPS-UHFFFAOYSA-N 0 1 284.235 1.513 10 5 CDBEMN COC[C@@](C)(CO)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783655953 678765609 /nfs/dbraw/zinc/76/56/09/678765609.db2.gz NGKOWHVIMNAYGW-GFCCVEGCSA-N 0 1 288.731 1.735 10 5 CDBEMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]1c1ccco1 ZINC000869790185 678824149 /nfs/dbraw/zinc/82/41/49/678824149.db2.gz WWMINEMEDDEUKF-FXPVBKGRSA-N 0 1 264.281 1.854 10 5 CDBEMN CC[C@H](OCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000844777113 678925119 /nfs/dbraw/zinc/92/51/19/678925119.db2.gz FEWLSBAYBGUVHE-MCIONIFRSA-N 0 1 292.335 1.936 10 5 CDBEMN NC(=O)CCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837713447 678986047 /nfs/dbraw/zinc/98/60/47/678986047.db2.gz WYPAWDAKNGYQER-UHFFFAOYSA-N 0 1 296.279 1.389 10 5 CDBEMN NCC(F)(F)Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000844919670 679017653 /nfs/dbraw/zinc/01/76/53/679017653.db2.gz MRAGYASUSHVHAT-UHFFFAOYSA-N 0 1 274.183 1.374 10 5 CDBEMN Cc1cc(C)c([N+](=O)[O-])c(=NOC[C@@H]2CCOC2)[nH]1 ZINC000788082547 679131885 /nfs/dbraw/zinc/13/18/85/679131885.db2.gz HMFGEACQHYFUKA-SNVBAGLBSA-N 0 1 267.285 1.987 10 5 CDBEMN NCC(F)(F)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000844676570 679472287 /nfs/dbraw/zinc/47/22/87/679472287.db2.gz LZUKESHSBRHGKB-UHFFFAOYSA-N 0 1 284.222 1.781 10 5 CDBEMN O=[N+]([O-])c1cccnc1N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000720463589 679476035 /nfs/dbraw/zinc/47/60/35/679476035.db2.gz OEUZATZALKVUBQ-PWSUYJOCSA-N 0 1 294.380 1.982 10 5 CDBEMN CC1(C)C[C@H](O)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001632225424 1166338380 /nfs/dbraw/zinc/33/83/80/1166338380.db2.gz VDDFDHSTPNJSHI-LBPRGKRZSA-N 0 1 294.307 1.533 10 5 CDBEMN Cc1c[nH]c(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001642610464 1167184306 /nfs/dbraw/zinc/18/43/06/1167184306.db2.gz GLHHHHNVHDDXKK-UHFFFAOYSA-N 0 1 276.252 1.262 10 5 CDBEMN Cc1nc(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)n[nH]1 ZINC001643278456 1167240856 /nfs/dbraw/zinc/24/08/56/1167240856.db2.gz ANUIEJUHOYFTGI-UHFFFAOYSA-N 0 1 292.299 1.816 10 5 CDBEMN Cc1ccc(CNC(=O)Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC001643834652 1167275017 /nfs/dbraw/zinc/27/50/17/1167275017.db2.gz DYEIBUBNFGRXJG-UHFFFAOYSA-N 0 1 274.280 1.485 10 5 CDBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@H]1CO ZINC001570866907 1170305232 /nfs/dbraw/zinc/30/52/32/1170305232.db2.gz OEQFRJGOLMBVPL-NSHDSACASA-N 0 1 294.307 1.678 10 5 CDBEMN O=C(CCN1CC[C@H](F)C1)NCc1cccc([N+](=O)[O-])c1 ZINC001617673517 1165605188 /nfs/dbraw/zinc/60/51/88/1165605188.db2.gz OHUSBUJMICTPKE-LBPRGKRZSA-N 0 1 295.314 1.645 10 5 CDBEMN CC(C)(CCC(=O)NCc1n[nH]c(C2CC2)n1)[N+](=O)[O-] ZINC001628397808 1166068275 /nfs/dbraw/zinc/06/82/75/1166068275.db2.gz DBDDFINMAZAQNB-UHFFFAOYSA-N 0 1 281.316 1.134 10 5 CDBEMN O=C(NCCc1ccoc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001645489297 1167408096 /nfs/dbraw/zinc/40/80/96/1167408096.db2.gz SHATZCSXBHMXFX-UHFFFAOYSA-N 0 1 276.248 1.866 10 5 CDBEMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH]onc1C ZINC000588437935 896231346 /nfs/dbraw/zinc/23/13/46/896231346.db2.gz XORBNSNVHWZASE-FPLPWBNLSA-N 0 1 288.263 1.750 10 5 CDBEMN CN(CC=C(Cl)Cl)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267193817 897097304 /nfs/dbraw/zinc/09/73/04/897097304.db2.gz DGEKAGYPORYALQ-HTQZYQBOSA-N 0 1 296.154 1.019 10 5 CDBEMN Cc1[nH]ncc1CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001142913614 937092395 /nfs/dbraw/zinc/09/23/95/937092395.db2.gz DBFOIWUHJHBEAF-UHFFFAOYSA-N 0 1 289.295 1.481 10 5 CDBEMN Cc1cc(C(=O)N(C)Cc2cnc[nH]2)ccc1[N+](=O)[O-] ZINC001166402466 939607850 /nfs/dbraw/zinc/60/78/50/939607850.db2.gz OSLCXHRYEPDLSL-UHFFFAOYSA-N 0 1 274.280 1.899 10 5 CDBEMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001435784024 962096215 /nfs/dbraw/zinc/09/62/15/962096215.db2.gz SUZRWLMNVYCENO-FKJQKRBXSA-N 0 1 296.348 1.266 10 5 CDBEMN COC[C@@]1(C)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC001556715052 965085242 /nfs/dbraw/zinc/08/52/42/965085242.db2.gz ZIYBTEMJGKMAGX-LBPRGKRZSA-N 0 1 282.300 1.125 10 5 CDBEMN CC(=O)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC001556768766 965098204 /nfs/dbraw/zinc/09/82/04/965098204.db2.gz LVHGAVJURUUQKL-UHFFFAOYSA-N 0 1 280.280 1.740 10 5 CDBEMN CCc1ncc(CNc2ncc([N+](=O)[O-])c(C)n2)[nH]1 ZINC001458653637 969330800 /nfs/dbraw/zinc/33/08/00/969330800.db2.gz HUYMKOYWXOZINH-UHFFFAOYSA-N 0 1 262.273 1.591 10 5 CDBEMN C[C@H](NC(=O)C1=NC(=O)N(C)C1)c1ccccc1[N+](=O)[O-] ZINC001534060718 969475435 /nfs/dbraw/zinc/47/54/35/969475435.db2.gz HLTJZUGDTKITJN-QMMMGPOBSA-N 0 1 290.279 1.525 10 5 CDBEMN CCOCCOCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001597319975 1174268895 /nfs/dbraw/zinc/26/88/95/1174268895.db2.gz XROYHCWWVPXGDX-UHFFFAOYSA-N 0 1 298.295 1.083 10 5 CDBEMN Cc1c([C@@H](C)NC2COCCOC2)cccc1[N+](=O)[O-] ZINC000589950100 342517673 /nfs/dbraw/zinc/51/76/73/342517673.db2.gz VCBCZMPIDNKMKG-LLVKDONJSA-N 0 1 280.324 1.969 10 5 CDBEMN COCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593731718 342830375 /nfs/dbraw/zinc/83/03/75/342830375.db2.gz BVRZQHHAKDCXNJ-UHFFFAOYSA-N 0 1 268.269 1.371 10 5 CDBEMN COCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593731718 342830376 /nfs/dbraw/zinc/83/03/76/342830376.db2.gz BVRZQHHAKDCXNJ-UHFFFAOYSA-N 0 1 268.269 1.371 10 5 CDBEMN CC1(C)CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594768976 342955727 /nfs/dbraw/zinc/95/57/27/342955727.db2.gz ZRDLNBLCNMKMCV-VIFPVBQESA-N 0 1 299.352 1.847 10 5 CDBEMN C[C@@H]1CC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594772822 342956281 /nfs/dbraw/zinc/95/62/81/342956281.db2.gz NUAZUJAOGXVOMG-NXEZZACHSA-N 0 1 299.352 1.704 10 5 CDBEMN Cc1c(CNC(=O)[C@@H](N)COC(C)C)cccc1[N+](=O)[O-] ZINC000595253913 343011674 /nfs/dbraw/zinc/01/16/74/343011674.db2.gz LBVABOLEDWJFCS-LBPRGKRZSA-N 0 1 295.339 1.272 10 5 CDBEMN CCn1c(C)nc([N+](=O)[O-])c1N1CCCc2[nH]ncc2C1 ZINC000596001802 343207027 /nfs/dbraw/zinc/20/70/27/343207027.db2.gz YBOVODAPNHKOCY-UHFFFAOYSA-N 0 1 290.327 1.796 10 5 CDBEMN CCc1nc(CNc2cc(OC)ccc2[N+](=O)[O-])n[nH]1 ZINC000295043483 199316882 /nfs/dbraw/zinc/31/68/82/199316882.db2.gz XHCGEYMANUGCCY-UHFFFAOYSA-N 0 1 277.284 1.896 10 5 CDBEMN O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000599019604 343940420 /nfs/dbraw/zinc/94/04/20/343940420.db2.gz HTJUESCVNXLFOH-CQSZACIVSA-N 0 1 289.335 1.838 10 5 CDBEMN COC[C@@H]1CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000293562600 362581397 /nfs/dbraw/zinc/58/13/97/362581397.db2.gz MGQPOIQLXIWCSM-NWDGAFQWSA-N 0 1 296.323 1.055 10 5 CDBEMN Cc1cc(C(=O)N[C@H]2CCCN(C)C2)cc([N+](=O)[O-])c1 ZINC000139804036 356649185 /nfs/dbraw/zinc/64/91/85/356649185.db2.gz OIVVPULBVDPMRX-LBPRGKRZSA-N 0 1 277.324 1.727 10 5 CDBEMN O=C(NN1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000282854066 357478823 /nfs/dbraw/zinc/47/88/23/357478823.db2.gz GNTWHIMXKBWJBP-UHFFFAOYSA-N 0 1 275.268 1.212 10 5 CDBEMN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000285206951 358027479 /nfs/dbraw/zinc/02/74/79/358027479.db2.gz WWFPBQHMBQAJTC-KBPBESRZSA-N 0 1 291.351 1.813 10 5 CDBEMN C[C@H]1NC(=O)CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000281516391 195271051 /nfs/dbraw/zinc/27/10/51/195271051.db2.gz AJZDKVCZOBIXTF-VXNVDRBHSA-N 0 1 269.326 1.413 10 5 CDBEMN Nc1c(F)c(N2CC[C@@H](c3nc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000425281889 393015192 /nfs/dbraw/zinc/01/51/92/393015192.db2.gz JOQGEKQJXQGKOB-SSDOTTSWSA-N 0 1 292.274 1.428 10 5 CDBEMN COC[C@@](C)(CCO)NCc1ccc([N+](=O)[O-])cc1OC ZINC000430211728 393093618 /nfs/dbraw/zinc/09/36/18/393093618.db2.gz JZMHUPDZRWJZDE-CQSZACIVSA-N 0 1 298.339 1.481 10 5 CDBEMN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000182698288 140023367 /nfs/dbraw/zinc/02/33/67/140023367.db2.gz FQWQBBMNJCCQHY-NSHDSACASA-N 0 1 291.315 1.137 10 5 CDBEMN Cc1cccc(Nc2[nH]cnc(=NN(C)C)c2[N+](=O)[O-])n1 ZINC000040584657 174345620 /nfs/dbraw/zinc/34/56/20/174345620.db2.gz KOTUOWZXHALCLP-UHFFFAOYSA-N 0 1 289.299 1.720 10 5 CDBEMN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000044887709 175271240 /nfs/dbraw/zinc/27/12/40/175271240.db2.gz WNRSFZBYCXLHQI-JGVFFNPUSA-N 0 1 262.273 1.520 10 5 CDBEMN C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnn[n-]1 ZINC000044887709 175271242 /nfs/dbraw/zinc/27/12/42/175271242.db2.gz WNRSFZBYCXLHQI-JGVFFNPUSA-N 0 1 262.273 1.520 10 5 CDBEMN COC(=O)[C@@](C)(O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000343699123 277376445 /nfs/dbraw/zinc/37/64/45/277376445.db2.gz WDZLCUNUJMIXMZ-ZANVPECISA-N 0 1 282.296 1.169 10 5 CDBEMN O=C(NCC=Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000255710639 289384344 /nfs/dbraw/zinc/38/43/44/289384344.db2.gz CDVVOLFTECYDBJ-DAXSKMNVSA-N 0 1 272.264 1.761 10 5 CDBEMN C[C@H]([NH3+])C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000564968025 293473939 /nfs/dbraw/zinc/47/39/39/293473939.db2.gz UTJOAEOUTLHLGA-BQBZGAKWSA-N 0 1 293.370 1.060 10 5 CDBEMN CO[C@H]1C[C@@H](CC(=O)[O-])[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000570933820 294337003 /nfs/dbraw/zinc/33/70/03/294337003.db2.gz NVFWIDOGQHEMLQ-RYUDHWBXSA-N 0 1 294.307 1.659 10 5 CDBEMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(C)(C(N)=O)C1 ZINC000578988329 324073744 /nfs/dbraw/zinc/07/37/44/324073744.db2.gz VWRAYQSHMQSXED-IZZDOVSWSA-N 0 1 289.335 1.805 10 5 CDBEMN CNc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CO)C1 ZINC000050791811 522646142 /nfs/dbraw/zinc/64/61/42/522646142.db2.gz JMMFGBZLNBBJBW-NSHDSACASA-N 0 1 279.340 1.841 10 5 CDBEMN CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnoc1 ZINC000061685933 522649460 /nfs/dbraw/zinc/64/94/60/522649460.db2.gz SWJZQMKIPNRTQX-UHFFFAOYSA-N 0 1 298.280 1.425 10 5 CDBEMN Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000368232719 525826738 /nfs/dbraw/zinc/82/67/38/525826738.db2.gz CEQLWOXXKDXVRK-MGPQQGTHSA-N 0 1 274.320 1.976 10 5 CDBEMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160721780 526071722 /nfs/dbraw/zinc/07/17/22/526071722.db2.gz GJUKOGJDMXRRCK-TXEJJXNPSA-N 0 1 289.335 1.870 10 5 CDBEMN O=[N+]([O-])c1c(Cl)ncnc1OCCN1CCCCC1 ZINC000050454637 527319943 /nfs/dbraw/zinc/31/99/43/527319943.db2.gz DQUCZZKHRSHCAV-UHFFFAOYSA-N 0 1 286.719 1.903 10 5 CDBEMN CCc1[nH]nc(C(=O)N2CC(C)=C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000436000812 535999264 /nfs/dbraw/zinc/99/92/64/535999264.db2.gz MOPNORCYFDSANJ-MRVPVSSYSA-N 0 1 278.312 1.919 10 5 CDBEMN O=C(OCCOCC(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000774778357 575239171 /nfs/dbraw/zinc/23/91/71/575239171.db2.gz QRILTVKEPMVQEC-UHFFFAOYSA-N 0 1 264.184 1.361 10 5 CDBEMN CC(C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1c[nH]nn1 ZINC000734409395 575342797 /nfs/dbraw/zinc/34/27/97/575342797.db2.gz BOBSKIFOSHDRCP-UHFFFAOYSA-N 0 1 293.258 1.517 10 5 CDBEMN O=C(CNC(=O)[C@@H]1CC1[N+](=O)[O-])CC1CCCCC1 ZINC000831641615 681514487 /nfs/dbraw/zinc/51/44/87/681514487.db2.gz SWGUMBHQTTYBQU-VXGBXAGGSA-N 0 1 268.313 1.307 10 5 CDBEMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1c[nH]nn1 ZINC000789928853 681925719 /nfs/dbraw/zinc/92/57/19/681925719.db2.gz OPZPUJWXMNBPBS-UHFFFAOYSA-N 0 1 281.659 1.548 10 5 CDBEMN C[C@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000714251396 682047623 /nfs/dbraw/zinc/04/76/23/682047623.db2.gz BYURUNLUKWUBME-GAFUQQFSSA-N 0 1 298.364 1.821 10 5 CDBEMN CC1(C)CCC[C@@](O)(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000839734024 682296337 /nfs/dbraw/zinc/29/63/37/682296337.db2.gz PXVDJXUIQPPSEH-BREBYQMCSA-N 0 1 270.329 1.099 10 5 CDBEMN C[C@H](NC[C@H]1CCCNC1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872079042 682341387 /nfs/dbraw/zinc/34/13/87/682341387.db2.gz KXISMGPIEGLYDU-VHSXEESVSA-N 0 1 295.314 1.911 10 5 CDBEMN CN1CC[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000712557332 682469681 /nfs/dbraw/zinc/46/96/81/682469681.db2.gz MZDJGIZTXRMYEC-SNVBAGLBSA-N 0 1 272.308 1.681 10 5 CDBEMN COc1cccc(C[C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839681462 682585332 /nfs/dbraw/zinc/58/53/32/682585332.db2.gz QBAKNUFJTPTPRR-OASPWFOLSA-N 0 1 278.308 1.408 10 5 CDBEMN O=C(Nc1ccc2c(c1)CCC2=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839781387 683162575 /nfs/dbraw/zinc/16/25/75/683162575.db2.gz OBPUIKCCEAPYBV-GHMZBOCLSA-N 0 1 260.249 1.419 10 5 CDBEMN C[C@H]1[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])CCN1C ZINC000719621463 683234440 /nfs/dbraw/zinc/23/44/40/683234440.db2.gz BMCMDACOHVYMEE-IONNQARKSA-N 0 1 270.720 1.570 10 5 CDBEMN CC(=O)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000846946111 683238767 /nfs/dbraw/zinc/23/87/67/683238767.db2.gz GSSUQWJNXQJASF-HNNXBMFYSA-N 0 1 292.335 1.929 10 5 CDBEMN O=[N+]([O-])CCN1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000930821102 683618806 /nfs/dbraw/zinc/61/88/06/683618806.db2.gz BFTKIPHGOAFXIQ-LSDHHAIUSA-N 0 1 278.352 1.721 10 5 CDBEMN CCN1CC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000922164540 684137914 /nfs/dbraw/zinc/13/79/14/684137914.db2.gz MGBOTKVQBIPNHE-LLVKDONJSA-N 0 1 292.339 1.217 10 5 CDBEMN C[C@@H](CNC(=O)Cc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001639634181 1166958428 /nfs/dbraw/zinc/95/84/28/1166958428.db2.gz XYWLFXOSYVMLAG-JTQLQIEISA-N 0 1 288.307 1.780 10 5 CDBEMN Cc1[nH]nc(C(=O)N2C[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC001639868569 1166973475 /nfs/dbraw/zinc/97/34/75/1166973475.db2.gz SCMKOXQDCBYPSP-RKDXNWHRSA-N 0 1 264.285 1.641 10 5 CDBEMN CC(C)C[C@@H](C(N)=O)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001175652288 913707176 /nfs/dbraw/zinc/70/71/76/913707176.db2.gz SGJQQIGUUQQKIN-ZDUSSCGKSA-N 0 1 295.339 1.632 10 5 CDBEMN CCC(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001269357237 903729553 /nfs/dbraw/zinc/72/95/53/903729553.db2.gz YYKGCSUCXHROPA-UHFFFAOYSA-N 0 1 277.324 1.743 10 5 CDBEMN Cc1nc(NCc2ccc3cncn3c2)ncc1[N+](=O)[O-] ZINC001186661941 920140779 /nfs/dbraw/zinc/14/07/79/920140779.db2.gz OKGRTGNAXJYPNA-UHFFFAOYSA-N 0 1 284.279 1.953 10 5 CDBEMN Cc1noc(CN2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)c1[N+](=O)[O-] ZINC001195596300 924662205 /nfs/dbraw/zinc/66/22/05/924662205.db2.gz LPZIYTFBFNBGTP-SZEHBUNVSA-N 0 1 296.327 1.366 10 5 CDBEMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCC3)C2)c1 ZINC000825153237 925855507 /nfs/dbraw/zinc/85/55/07/925855507.db2.gz IQRZFFQBLGPMIS-GFCCVEGCSA-N 0 1 289.335 1.823 10 5 CDBEMN Cc1c(CN2C[C@@H]3C(=O)OC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001560046886 960850266 /nfs/dbraw/zinc/85/02/66/960850266.db2.gz IJYYVBWPHDTUPS-RYUDHWBXSA-N 0 1 276.292 1.508 10 5 CDBEMN O=C(Nc1ccc(-c2ncco2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001435568224 962075678 /nfs/dbraw/zinc/07/56/78/962075678.db2.gz AASJYKHNNPDMKV-GHMZBOCLSA-N 0 1 273.248 1.945 10 5 CDBEMN O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1O 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/nfs/dbraw/zinc/00/35/21/304003521.db2.gz DZXNHSJKVGTJRT-LLVKDONJSA-N 0 1 291.307 1.866 10 5 CDBEMN O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000280107159 304003524 /nfs/dbraw/zinc/00/35/24/304003524.db2.gz DZXNHSJKVGTJRT-LLVKDONJSA-N 0 1 291.307 1.866 10 5 CDBEMN CN1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000157333344 357968920 /nfs/dbraw/zinc/96/89/20/357968920.db2.gz SITPYYNRYRPZMP-VIFPVBQESA-N 0 1 278.312 1.001 10 5 CDBEMN COc1cc(CN2CCC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000339778689 359437708 /nfs/dbraw/zinc/43/77/08/359437708.db2.gz DNYBATHRBIQBTQ-LBPRGKRZSA-N 0 1 280.324 1.950 10 5 CDBEMN CCC(=O)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000425345292 246784520 /nfs/dbraw/zinc/78/45/20/246784520.db2.gz GDRSSMJCXQDSCK-UHFFFAOYSA-N 0 1 279.296 1.312 10 5 CDBEMN Cc1cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000161862983 375198171 /nfs/dbraw/zinc/19/81/71/375198171.db2.gz ZXJNDJFQSHBFDM-SECBINFHSA-N 0 1 288.307 1.987 10 5 CDBEMN COC[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278661054 194089390 /nfs/dbraw/zinc/08/93/90/194089390.db2.gz NGSKBLZGVWTCHC-MNOVXSKESA-N 0 1 286.353 1.940 10 5 CDBEMN O=[N+]([O-])c1ccccc1CN1CC[C@H](N2CCOCC2)C1 ZINC000173955707 379346530 /nfs/dbraw/zinc/34/65/30/379346530.db2.gz MTZKKONVLIEOLT-AWEZNQCLSA-N 0 1 291.351 1.501 10 5 CDBEMN COCCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000490085727 253028944 /nfs/dbraw/zinc/02/89/44/253028944.db2.gz XBTQHUNCKDXRLX-CQSZACIVSA-N 0 1 280.324 1.832 10 5 CDBEMN CN1CCO[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000408464905 391648457 /nfs/dbraw/zinc/64/84/57/391648457.db2.gz GAWFBNXPDRARQF-VXGBXAGGSA-N 0 1 296.302 1.038 10 5 CDBEMN CC(C)(C)n1cnc(=NC(=O)c2ccc([N+](=O)[O-])s2)[nH]1 ZINC000344077620 152411088 /nfs/dbraw/zinc/41/10/88/152411088.db2.gz WKYCQHXPPYITOZ-UHFFFAOYSA-N 0 1 295.324 1.677 10 5 CDBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000356621738 423962805 /nfs/dbraw/zinc/96/28/05/423962805.db2.gz QOXZFGIFLLNXRM-TXEJJXNPSA-N 0 1 278.264 1.304 10 5 CDBEMN C[C@@H]1CN(CCO)[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000419005884 288179203 /nfs/dbraw/zinc/17/92/03/288179203.db2.gz PMDRNOVEBBVTJN-NWDGAFQWSA-N 0 1 279.340 1.486 10 5 CDBEMN Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000471705287 281014796 /nfs/dbraw/zinc/01/47/96/281014796.db2.gz JAQJNHZBVAEHHM-KGLIPLIRSA-N 0 1 277.324 1.422 10 5 CDBEMN Cc1cccc(N2C[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000302476473 281231242 /nfs/dbraw/zinc/23/12/42/281231242.db2.gz FEJXJRFMFNECMS-QWHCGFSZSA-N 0 1 277.324 1.422 10 5 CDBEMN Cc1csc([C@H](C)NCCn2ccc([N+](=O)[O-])n2)n1 ZINC000184164625 323356458 /nfs/dbraw/zinc/35/64/58/323356458.db2.gz HZAXRMQMFFMREV-VIFPVBQESA-N 0 1 281.341 1.907 10 5 CDBEMN Cc1ccc(CN[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000069142966 524609896 /nfs/dbraw/zinc/60/98/96/524609896.db2.gz ULDYECOJKZWWOT-LBPRGKRZSA-N 0 1 298.364 1.570 10 5 CDBEMN Cc1sc(C(=O)N[C@@H]2CCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928449752 619099774 /nfs/dbraw/zinc/09/97/74/619099774.db2.gz GEFFQJQRTYSIPX-IONNQARKSA-N 0 1 283.353 1.787 10 5 CDBEMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC(N2CCCC2)C1 ZINC000912325105 629934793 /nfs/dbraw/zinc/93/47/93/629934793.db2.gz OPFMPJLPQFQFFC-UHFFFAOYSA-N 0 1 293.298 1.654 10 5 CDBEMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCN1C ZINC000925396771 630714378 /nfs/dbraw/zinc/71/43/78/630714378.db2.gz NUNLOJVWJLAGSV-LLVKDONJSA-N 0 1 278.312 1.729 10 5 CDBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860157607 688248383 /nfs/dbraw/zinc/24/83/83/688248383.db2.gz ZVKOWWKXQRHETL-IRUJWGPZSA-N 0 1 276.292 1.761 10 5 CDBEMN C[C@@H]1[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])CCN1C ZINC000719384249 688362083 /nfs/dbraw/zinc/36/20/83/688362083.db2.gz CKAMXSKXVKQUPZ-SCZZXKLOSA-N 0 1 281.287 1.556 10 5 CDBEMN CO[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000846247784 688390680 /nfs/dbraw/zinc/39/06/80/688390680.db2.gz SETLLKIOSVBRQT-LLVKDONJSA-N 0 1 280.280 1.514 10 5 CDBEMN 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O=C(N[C@@H](C(F)F)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000857692573 723524740 /nfs/dbraw/zinc/52/47/40/723524740.db2.gz AKCWGJLULSGOMP-OPRDCNLKSA-N 0 1 276.283 1.982 10 5 CDBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)NCCC1CCC1 ZINC000849381555 723682118 /nfs/dbraw/zinc/68/21/18/723682118.db2.gz YXULDEJVKXHYLN-UHFFFAOYSA-N 0 1 285.325 1.458 10 5 CDBEMN C[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839681818 723301742 /nfs/dbraw/zinc/30/17/42/723301742.db2.gz YUVQFQQDDLWQLS-KKBFJBPOSA-N 0 1 260.293 1.701 10 5 CDBEMN CC(=O)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846947073 723361376 /nfs/dbraw/zinc/36/13/76/723361376.db2.gz QLMCZZJCUFGPMF-OAHLLOKOSA-N 0 1 292.335 1.929 10 5 CDBEMN O=C(N[C@H](C1CCC1)[C@H]1CCCO1)[C@@H]1CC1[N+](=O)[O-] ZINC000871119667 1165266697 /nfs/dbraw/zinc/26/66/97/1165266697.db2.gz DQSWHUQANRZAHW-DDHJBXDOSA-N 0 1 268.313 1.116 10 5 CDBEMN CC(C)C(=O)N(C)CCNCc1ccccc1[N+](=O)[O-] ZINC001567466253 1168784343 /nfs/dbraw/zinc/78/43/43/1168784343.db2.gz VKWONAVOBJKZSY-UHFFFAOYSA-N 0 1 279.340 1.799 10 5 CDBEMN CCO[C@@H]1CCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001299275373 921568303 /nfs/dbraw/zinc/56/83/03/921568303.db2.gz FVMXUMHQLNGFAT-VXNVDRBHSA-N 0 1 268.273 1.005 10 5 CDBEMN O=C(Oc1ccc2c(c1F)CCC2=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841234319 936986017 /nfs/dbraw/zinc/98/60/17/936986017.db2.gz HSJXZVIMQNPQPX-RKDXNWHRSA-N 0 1 279.223 1.525 10 5 CDBEMN O=C(NCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1Cl ZINC000129633513 937176075 /nfs/dbraw/zinc/17/60/75/937176075.db2.gz VSTHSLAIVFPMAY-UHFFFAOYSA-N 0 1 280.671 1.901 10 5 CDBEMN COC[C@@H]1CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000815127650 929942129 /nfs/dbraw/zinc/94/21/29/929942129.db2.gz XYJUPDMXHYLCRD-STQMWFEESA-N 0 1 266.297 1.349 10 5 CDBEMN O=[N+]([O-])c1ccc(N[C@@H]2CCCN3CCSC[C@@H]23)cn1 ZINC000720464870 935146579 /nfs/dbraw/zinc/14/65/79/935146579.db2.gz SHUNPCMNAIGQNW-NEPJUHHUSA-N 0 1 294.380 1.982 10 5 CDBEMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)nc1 ZINC001123102832 936114183 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CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000847247175 967146318 /nfs/dbraw/zinc/14/63/18/967146318.db2.gz OUAXFHALTAJHBS-YTWAJWBKSA-N 0 1 256.302 1.116 10 5 CDBEMN Cc1[nH]nc(C(=O)N2CC[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000590379717 342541251 /nfs/dbraw/zinc/54/12/51/342541251.db2.gz PLCITTPZVHZING-RXMQYKEDSA-N 0 1 278.190 1.403 10 5 CDBEMN O=C(N[C@@H]1CCCC1(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000588785884 342221489 /nfs/dbraw/zinc/22/14/89/342221489.db2.gz AFZMPFGVYRLLBV-ZCFIWIBFSA-N 0 1 260.200 1.236 10 5 CDBEMN CO[C@@](C)(CO)CNCc1ccc([N+](=O)[O-])cc1F ZINC000594509987 342914936 /nfs/dbraw/zinc/91/49/36/342914936.db2.gz MMBVMTPTSSJMNK-GFCCVEGCSA-N 0 1 272.276 1.221 10 5 CDBEMN CC[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594745083 342953103 /nfs/dbraw/zinc/95/31/03/342953103.db2.gz WBJSITWMGFACNX-ZETCQYMHSA-N 0 1 259.287 1.067 10 5 CDBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000594782579 342961688 /nfs/dbraw/zinc/96/16/88/342961688.db2.gz 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346800022 /nfs/dbraw/zinc/80/00/22/346800022.db2.gz FIWMOIQNBGOJLC-YUMQZZPRSA-N 0 1 284.291 1.700 10 5 CDBEMN O=[N+]([O-])c1ccn(CCN2CC[C@H](OC(F)F)C2)n1 ZINC000558863094 356051708 /nfs/dbraw/zinc/05/17/08/356051708.db2.gz IYLSNGRZNZBMAO-QMMMGPOBSA-N 0 1 276.243 1.105 10 5 CDBEMN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2C)n1 ZINC000225807742 358092264 /nfs/dbraw/zinc/09/22/64/358092264.db2.gz JEDUIFKRRKRUBN-VIFPVBQESA-N 0 1 294.311 1.283 10 5 CDBEMN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CN2CCC1CC2 ZINC000347939832 359957993 /nfs/dbraw/zinc/95/79/93/359957993.db2.gz GAGWKMQKWOEQCS-LLVKDONJSA-N 0 1 278.312 1.089 10 5 CDBEMN C[N@@H+](CCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000440956709 367257431 /nfs/dbraw/zinc/25/74/31/367257431.db2.gz ONSMUSBYENNSHZ-ZDUSSCGKSA-N 0 1 293.323 1.014 10 5 CDBEMN CN(CCCO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000440956709 367257436 /nfs/dbraw/zinc/25/74/36/367257436.db2.gz ONSMUSBYENNSHZ-ZDUSSCGKSA-N 0 1 293.323 1.014 10 5 CDBEMN Cc1cc(=O)[nH]cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356759777 373050945 /nfs/dbraw/zinc/05/09/45/373050945.db2.gz DKGPLVAWLVFXNG-UHFFFAOYSA-N 0 1 289.247 1.962 10 5 CDBEMN CCOc1ccc(C(=O)N2CC(N(C)C)C2)cc1[N+](=O)[O-] ZINC000342139055 373993973 /nfs/dbraw/zinc/99/39/73/373993973.db2.gz PJYMAFIWVUQCDF-UHFFFAOYSA-N 0 1 293.323 1.380 10 5 CDBEMN Nc1cc([N+](=O)[O-])c(I)cc1O ZINC000575727464 374134258 /nfs/dbraw/zinc/13/42/58/374134258.db2.gz FLCDKORRPHHFDI-UHFFFAOYSA-N 0 1 280.021 1.487 10 5 CDBEMN Cc1nc(N[C@H]2CCc3[nH]cnc3C2)ccc1[N+](=O)[O-] ZINC000368622671 374321692 /nfs/dbraw/zinc/32/16/92/374321692.db2.gz HOECSWZIYNHMRB-VIFPVBQESA-N 0 1 273.296 1.991 10 5 CDBEMN COc1cc(CN2CCC[C@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000352771015 375536205 /nfs/dbraw/zinc/53/62/05/375536205.db2.gz VOEKULFQQOGFSF-AWEZNQCLSA-N 0 1 280.324 1.950 10 5 CDBEMN CC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000194641053 378451563 /nfs/dbraw/zinc/45/15/63/378451563.db2.gz OCDWLGDVYJGGJI-LLVKDONJSA-N 0 1 292.339 1.512 10 5 CDBEMN CCN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)C1 ZINC000194641053 378451566 /nfs/dbraw/zinc/45/15/66/378451566.db2.gz OCDWLGDVYJGGJI-LLVKDONJSA-N 0 1 292.339 1.512 10 5 CDBEMN CCc1[nH]nc(C(=O)N2C[C@H](C)O[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000444365146 250128715 /nfs/dbraw/zinc/12/87/15/250128715.db2.gz AIGOPVZCIWZZDS-YIZRAAEISA-N 0 1 296.327 1.518 10 5 CDBEMN C[C@H](NCCn1cncn1)c1ccccc1[N+](=O)[O-] ZINC000266913773 190289685 /nfs/dbraw/zinc/28/96/85/190289685.db2.gz XFIALMDHEAFMNU-JTQLQIEISA-N 0 1 261.285 1.537 10 5 CDBEMN CO[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000286010482 390189360 /nfs/dbraw/zinc/18/93/60/390189360.db2.gz NMCWCHIAXABWKW-DTORHVGOSA-N 0 1 296.327 1.691 10 5 CDBEMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccs1 ZINC000179130960 390943409 /nfs/dbraw/zinc/94/34/09/390943409.db2.gz JEPAFCFSRYESRV-LURJTMIESA-N 0 1 266.282 1.870 10 5 CDBEMN Cc1ccc(CN(CCO)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000449681534 391268445 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CDBEMN CN1CCO[C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000286553031 277121144 /nfs/dbraw/zinc/12/11/44/277121144.db2.gz UHKZDDUQLZSJIS-CHWSQXEVSA-N 0 1 295.314 1.643 10 5 CDBEMN CCNCc1nnc(-c2ccc([N+](=O)[O-])cc2F)o1 ZINC000050615658 520025468 /nfs/dbraw/zinc/02/54/68/520025468.db2.gz TZBFCQZVOYRJHO-UHFFFAOYSA-N 0 1 266.232 1.893 10 5 CDBEMN O=C(c1ccc([N+](=O)[O-])o1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160377220 526717565 /nfs/dbraw/zinc/71/75/65/526717565.db2.gz ROFJGGBWLOBWCG-DTORHVGOSA-N 0 1 265.269 1.154 10 5 CDBEMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000840672527 618520858 /nfs/dbraw/zinc/52/08/58/618520858.db2.gz AZFFXXKACHRHAM-AVPPRXQKSA-N 0 1 280.236 1.864 10 5 CDBEMN C/C(=C/C(=O)NC[C@H]1CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000928559652 619380000 /nfs/dbraw/zinc/38/00/00/619380000.db2.gz LQDQVVCYVVUFFU-RBJHHQRMSA-N 0 1 289.335 1.818 10 5 CDBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCNC(C)(C)C1 ZINC000148081090 620275569 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GVIKBIMRYOOOON-UHFFFAOYSA-N 0 1 250.214 1.320 10 5 CDBEMN O=C(N[C@@H](c1ccncc1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001653393079 1171541332 /nfs/dbraw/zinc/54/13/32/1171541332.db2.gz PBZYBTUBLXOTJT-LLVKDONJSA-N 0 1 287.279 1.594 10 5 CDBEMN CC(=Cc1cccc([N+](=O)[O-])c1)CNCc1cn[nH]n1 ZINC001656694119 1171861347 /nfs/dbraw/zinc/86/13/47/1171861347.db2.gz SQSZJHPUIUZBHX-YHYXMXQVSA-N 0 1 273.296 1.906 10 5 CDBEMN Cc1ccccc1C(F)(F)CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000856157099 723758810 /nfs/dbraw/zinc/75/88/10/723758810.db2.gz DWQHQTCCRQIQPR-MWLCHTKSSA-N 0 1 284.262 1.868 10 5 CDBEMN O=C(N[C@H]1CCCc2c(F)cccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000839777930 724094942 /nfs/dbraw/zinc/09/49/42/724094942.db2.gz HAQWUZJVXVJQFJ-KGYLQXTDSA-N 0 1 278.283 1.985 10 5 CDBEMN Cc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC000839693467 724104188 /nfs/dbraw/zinc/10/41/88/724104188.db2.gz VIWTVMVVPCNWMT-GGZOMVNGSA-N 0 1 266.297 1.691 10 5 CDBEMN O=C(NCc1ccccc1OC1CCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839686659 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CC(C)(C)C(C)(C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356811477 375862922 /nfs/dbraw/zinc/86/29/22/375862922.db2.gz KNUGLUOEJPKOHH-UHFFFAOYSA-N 0 1 254.290 1.872 10 5 CDBEMN CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000281038633 195078624 /nfs/dbraw/zinc/07/86/24/195078624.db2.gz WBHWEANUGWHNHI-JTQLQIEISA-N 0 1 293.323 1.467 10 5 CDBEMN CN(CCCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000281487753 195262329 /nfs/dbraw/zinc/26/23/29/195262329.db2.gz ABLWWDVPFYNBJX-UHFFFAOYSA-N 0 1 265.269 1.550 10 5 CDBEMN CC[N@@H+]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])[C@H](C)C1 ZINC000288176808 285310273 /nfs/dbraw/zinc/31/02/73/285310273.db2.gz ASPNOYXPRNLNMG-SNVBAGLBSA-N 0 1 293.323 1.467 10 5 CDBEMN CC[N@H+]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])[C@H](C)C1 ZINC000288176808 285310280 /nfs/dbraw/zinc/31/02/80/285310280.db2.gz ASPNOYXPRNLNMG-SNVBAGLBSA-N 0 1 293.323 1.467 10 5 CDBEMN Cc1ccc([N+](=O)[O-])c(N2CCN(CCO)C[C@@H]2C)c1 ZINC000450956585 390581944 /nfs/dbraw/zinc/58/19/44/390581944.db2.gz 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O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000339207336 527371869 /nfs/dbraw/zinc/37/18/69/527371869.db2.gz MYAGCKFWHPNJSY-GFCCVEGCSA-N 0 1 288.307 1.944 10 5 CDBEMN Nc1cc(N)nc(SCc2csc([N+](=O)[O-])c2)n1 ZINC000048620702 527457878 /nfs/dbraw/zinc/45/78/78/527457878.db2.gz PJSLYJUALIMDKA-UHFFFAOYSA-N 0 1 283.338 1.903 10 5 CDBEMN Nc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1CO ZINC000050817072 527503903 /nfs/dbraw/zinc/50/39/03/527503903.db2.gz ZZGOQQPFOSISJN-GFCCVEGCSA-N 0 1 265.313 1.524 10 5 CDBEMN CC(C)[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])N1CCCCC1 ZINC000814048041 618697393 /nfs/dbraw/zinc/69/73/93/618697393.db2.gz HHPKAKPRBOVMMR-NWDGAFQWSA-N 0 1 272.345 1.705 10 5 CDBEMN Nc1c(C(=O)N2CC[C@H](N3CCC3)C2)cccc1[N+](=O)[O-] ZINC000912915748 630283818 /nfs/dbraw/zinc/28/38/18/630283818.db2.gz QRGYWZJHRRLMGV-JTQLQIEISA-N 0 1 290.323 1.097 10 5 CDBEMN O=C(NC[C@H]1CCOC2(CCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001627999913 1166030872 /nfs/dbraw/zinc/03/08/72/1166030872.db2.gz 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SJOJYKDCXXIPKL-JTQLQIEISA-N 0 1 283.353 1.194 10 5 CDBEMN Cc1c(CN2CCN(CCO)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000452116303 391049774 /nfs/dbraw/zinc/04/97/74/391049774.db2.gz MTTYGNDTAQAYFB-GFCCVEGCSA-N 0 1 293.367 1.402 10 5 CDBEMN CN(C)C(=O)CCNCc1cc(F)ccc1[N+](=O)[O-] ZINC000044992252 175286191 /nfs/dbraw/zinc/28/61/91/175286191.db2.gz VKACGLDCODLJHT-UHFFFAOYSA-N 0 1 269.276 1.302 10 5 CDBEMN COCCNCc1cc([N+](=O)[O-])ccc1O[C@H](C)COC ZINC000070375795 175899479 /nfs/dbraw/zinc/89/94/79/175899479.db2.gz LERHFVMJPFXYJL-LLVKDONJSA-N 0 1 298.339 1.745 10 5 CDBEMN C[C@]1(C(N)=O)CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000185911961 280151881 /nfs/dbraw/zinc/15/18/81/280151881.db2.gz FDVWRUCGERONSR-OAHLLOKOSA-N 0 1 291.351 1.867 10 5 CDBEMN Cn1cc([C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000176229796 294278628 /nfs/dbraw/zinc/27/86/28/294278628.db2.gz OCVBHBILYBQINW-LBPRGKRZSA-N 0 1 290.327 1.362 10 5 CDBEMN CCNc1ccc(CN2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000050817191 520300754 /nfs/dbraw/zinc/30/07/54/520300754.db2.gz OGJIWVGQHWUVCU-GFCCVEGCSA-N 0 1 279.340 1.983 10 5 CDBEMN CN1CCCN(C(=O)c2cc(N)c(F)cc2[N+](=O)[O-])CC1 ZINC000050693365 523803543 /nfs/dbraw/zinc/80/35/43/523803543.db2.gz LGSYVDKIALSQRP-UHFFFAOYSA-N 0 1 296.302 1.094 10 5 CDBEMN O=C([O-])[C@H]1CCC[N@H+]1CCc1ccccc1[N+](=O)[O-] ZINC000062726998 526324502 /nfs/dbraw/zinc/32/45/02/526324502.db2.gz LMSMWOBAVLNOFZ-GFCCVEGCSA-N 0 1 264.281 1.686 10 5 CDBEMN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000928432534 619045666 /nfs/dbraw/zinc/04/56/66/619045666.db2.gz FQNXQRQBPXTXOK-LDYMZIIASA-N 0 1 279.296 1.123 10 5 CDBEMN CC[C@@H](CNCc1csc([N+](=O)[O-])c1)C(=O)OC ZINC000895119319 619313379 /nfs/dbraw/zinc/31/33/79/619313379.db2.gz CANKGEJOZPUEPT-VIFPVBQESA-N 0 1 272.326 1.945 10 5 CDBEMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC(N2CCCC2)C1 ZINC000898613449 621820165 /nfs/dbraw/zinc/82/01/65/621820165.db2.gz IWIMBANTDORYMM-UHFFFAOYSA-N 0 1 293.298 1.654 10 5 CDBEMN CC(C)NCc1cn(Cc2csc([N+](=O)[O-])c2)nn1 ZINC000905794426 626977157 /nfs/dbraw/zinc/97/71/57/626977157.db2.gz XELSZLORDYWGPQ-UHFFFAOYSA-N 0 1 281.341 1.794 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N(CC(F)F)CC(F)F ZINC000906171734 627142767 /nfs/dbraw/zinc/14/27/67/627142767.db2.gz AWMJXXCKIWHXQC-RFZPGFLSSA-N 0 1 258.171 1.010 10 5 CDBEMN COC(=O)c1ccc([N+](=O)[O-])c(NCc2n[nH]c(C)n2)c1 ZINC001613030084 1165529478 /nfs/dbraw/zinc/52/94/78/1165529478.db2.gz KRKFBJYACAIRAW-UHFFFAOYSA-N 0 1 291.267 1.420 10 5 CDBEMN O=C(c1cnncc1O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001629133906 1166116447 /nfs/dbraw/zinc/11/64/47/1166116447.db2.gz OBPIYVPWWHIIPE-UHFFFAOYSA-N 0 1 286.247 1.246 10 5 CDBEMN O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](O)c1cnc[nH]1 ZINC001643177309 1167232259 /nfs/dbraw/zinc/23/22/59/1167232259.db2.gz LONVIAZVHRBEGZ-VIFPVBQESA-N 0 1 283.675 1.512 10 5 CDBEMN Cc1cn[nH]c1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC001643956625 1167283244 /nfs/dbraw/zinc/28/32/44/1167283244.db2.gz QRFSATGKLIBSLY-UHFFFAOYSA-N 0 1 284.275 1.990 10 5 CDBEMN C[C@@H](NC[C@@H](O)C(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC001648229000 1169109661 /nfs/dbraw/zinc/10/96/61/1169109661.db2.gz OKCJLEJYKAHVKI-BXKDBHETSA-N 0 1 268.313 1.377 10 5 CDBEMN CN(Cc1n[nH]c(=O)o1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001651959631 1171380885 /nfs/dbraw/zinc/38/08/85/1171380885.db2.gz XTFJFFHIPYVKFH-UHFFFAOYSA-N 0 1 290.239 1.196 10 5 CDBEMN CCCC(=O)NCC(C)(C)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001678013806 1174407170 /nfs/dbraw/zinc/40/71/70/1174407170.db2.gz OWTAJFREIFNBGP-GHMZBOCLSA-N 0 1 299.371 1.053 10 5 CDBEMN Cc1noc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(C)C)n1 ZINC000155681119 1178165272 /nfs/dbraw/zinc/16/52/72/1178165272.db2.gz ZXCKABJCOKLJQN-MRVPVSSYSA-N 0 1 294.271 1.136 10 5 CDBEMN C[C@@H]1[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928438868 790302939 /nfs/dbraw/zinc/30/29/39/790302939.db2.gz MZLBBUVQMGSMJQ-PSASIEDQSA-N 0 1 279.296 1.123 10 5 CDBEMN NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000175242641 791140611 /nfs/dbraw/zinc/14/06/11/791140611.db2.gz YIZJCEQNISJYBV-SNVBAGLBSA-N 0 1 295.314 1.821 10 5 CDBEMN NC(=O)C[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000175242641 791140620 /nfs/dbraw/zinc/14/06/20/791140620.db2.gz YIZJCEQNISJYBV-SNVBAGLBSA-N 0 1 295.314 1.821 10 5 CDBEMN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000719626187 791157718 /nfs/dbraw/zinc/15/77/18/791157718.db2.gz RJAJRSDVYIATMF-MWLCHTKSSA-N 0 1 250.302 1.803 10 5 CDBEMN CC(C)[C@@H](C)NC(=O)C1CCN(CC[N+](=O)[O-])CC1 ZINC000929422604 792007274 /nfs/dbraw/zinc/00/72/74/792007274.db2.gz LGGXBUKGEUWEOU-LLVKDONJSA-N 0 1 271.361 1.136 10 5 CDBEMN Cc1cncc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000830447182 792463083 /nfs/dbraw/zinc/46/30/83/792463083.db2.gz DXAQNYFUCFEMSR-FRRDWIJNSA-N 0 1 275.308 1.719 10 5 CDBEMN C[C@@H](C[N+](=O)[O-])OC(=O)c1cc2[nH]cnc2cc1F ZINC000821202588 793140353 /nfs/dbraw/zinc/14/03/53/793140353.db2.gz NRRRDOHCHUSUED-LURJTMIESA-N 0 1 267.216 1.524 10 5 CDBEMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171573744 794091712 /nfs/dbraw/zinc/09/17/12/794091712.db2.gz QWRDZBORAORIEX-UWVGGRQHSA-N 0 1 295.314 1.820 10 5 CDBEMN C[C@H](NC[C@H](O)[C@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088094 795813275 /nfs/dbraw/zinc/81/32/75/795813275.db2.gz NLDGZFDVTNKMSR-TVYUQYBPSA-N 0 1 298.314 1.924 10 5 CDBEMN Cc1nc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000714012353 906529028 /nfs/dbraw/zinc/52/90/28/906529028.db2.gz DQIINIUKSVEGFG-UHFFFAOYSA-N 0 1 279.231 1.090 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@]2(CC2(F)F)C1 ZINC000846585012 932081776 /nfs/dbraw/zinc/08/17/76/932081776.db2.gz PHDNIZJKQDZEQD-NQMVMOMDSA-N 0 1 260.240 1.299 10 5 CDBEMN Nc1ccnc2c1CN(Cc1cccnc1[N+](=O)[O-])CC2 ZINC000931516224 933579791 /nfs/dbraw/zinc/57/97/91/933579791.db2.gz JRVBTYUUSVOVPD-UHFFFAOYSA-N 0 1 285.307 1.525 10 5 CDBEMN CC(=O)N1CC2(C1)CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC001479756822 971398837 /nfs/dbraw/zinc/39/88/37/971398837.db2.gz DIZJFQPYUTUIIT-UHFFFAOYSA-N 0 1 289.335 1.649 10 5 CDBEMN Cc1c(CN(C)CCn2cnnc2)cccc1[N+](=O)[O-] ZINC001560114846 960857513 /nfs/dbraw/zinc/85/75/13/960857513.db2.gz DKZPFLQNAQJNRP-UHFFFAOYSA-N 0 1 275.312 1.627 10 5 CDBEMN O=C(Cc1cnc[nH]1)NCc1ccccc1[N+](=O)[O-] ZINC001441608131 964613568 /nfs/dbraw/zinc/61/35/68/964613568.db2.gz VKFYFHBAGAMYGO-UHFFFAOYSA-N 0 1 260.253 1.177 10 5 CDBEMN COc1cncc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001453478234 968318705 /nfs/dbraw/zinc/31/87/05/968318705.db2.gz RLIAXBKWINBMAB-UHFFFAOYSA-N 0 1 290.235 1.351 10 5 CDBEMN CCCc1[nH]nc(C(=O)N2OC3CCC2CC3)c1[N+](=O)[O-] ZINC001471258284 970407496 /nfs/dbraw/zinc/40/74/96/970407496.db2.gz BDURCLOEWXQYCF-UHFFFAOYSA-N 0 1 294.311 1.969 10 5 CDBEMN O=C(Cc1n[nH]c2ccccc21)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471842434 970501485 /nfs/dbraw/zinc/50/14/85/970501485.db2.gz YYCPBPMLHCPRTA-UHFFFAOYSA-N 0 1 286.251 1.375 10 5 CDBEMN Cc1cc(S(=O)(=O)NCC(F)F)c([N+](=O)[O-])s1 ZINC000601362368 342557141 /nfs/dbraw/zinc/55/71/41/342557141.db2.gz UFZGTEWQPJIJLR-UHFFFAOYSA-N 0 1 286.281 1.508 10 5 CDBEMN CO[C@@]1(CO)CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000401697177 342608112 /nfs/dbraw/zinc/60/81/12/342608112.db2.gz LOQHKYJWSQBHIW-AWEZNQCLSA-N 0 1 280.324 1.568 10 5 CDBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CC2(F)F)C1 ZINC000594389932 342894363 /nfs/dbraw/zinc/89/43/63/342894363.db2.gz XMYIXTQAECBAHW-UHFFFAOYSA-N 0 1 284.218 1.782 10 5 CDBEMN CCC(CC)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760899 342955394 /nfs/dbraw/zinc/95/53/94/342955394.db2.gz WAJYGLHMSVNMJE-UHFFFAOYSA-N 0 1 287.341 1.704 10 5 CDBEMN CC(F)(F)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594776935 342961079 /nfs/dbraw/zinc/96/10/79/342961079.db2.gz QCYFMNLACNQIAX-UHFFFAOYSA-N 0 1 295.267 1.313 10 5 CDBEMN CC(C)OC[C@H](N)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595250395 343010641 /nfs/dbraw/zinc/01/06/41/343010641.db2.gz RFHLPMRCZYJXAB-ZDUSSCGKSA-N 0 1 295.339 1.006 10 5 CDBEMN Cc1noc(CN[C@@](C)(CO)C(C)C)c1[N+](=O)[O-] ZINC000595487979 343075494 /nfs/dbraw/zinc/07/54/94/343075494.db2.gz ALUVEUPCMAQAPQ-NSHDSACASA-N 0 1 257.290 1.388 10 5 CDBEMN COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000597185341 343478255 /nfs/dbraw/zinc/47/82/55/343478255.db2.gz ATDUGDBJQYIJIA-QWHCGFSZSA-N 0 1 294.307 1.323 10 5 CDBEMN O=C(N[C@@H](CO)C1CCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597919136 343670110 /nfs/dbraw/zinc/67/01/10/343670110.db2.gz LOGFBHAVVLLCEX-LBPRGKRZSA-N 0 1 280.280 1.191 10 5 CDBEMN C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1(F)F ZINC000598214586 343734601 /nfs/dbraw/zinc/73/46/01/343734601.db2.gz HVJKJCLFCOQVOP-MRVPVSSYSA-N 0 1 260.200 1.093 10 5 CDBEMN C[C@@H]1CN2CCCC[C@H]2CN1c1c([N+](=O)[O-])ncn1C ZINC000609765566 345997892 /nfs/dbraw/zinc/99/78/92/345997892.db2.gz BQOFHRBHWNDAEW-MNOVXSKESA-N 0 1 279.344 1.391 10 5 CDBEMN CNc1c(C(=O)N[C@H]2CCCN(C)C2)cccc1[N+](=O)[O-] ZINC000161448850 362996164 /nfs/dbraw/zinc/99/61/64/362996164.db2.gz BMIIXVLMHGQTIW-JTQLQIEISA-N 0 1 292.339 1.461 10 5 CDBEMN CO[C@H](C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000182013757 357399048 /nfs/dbraw/zinc/39/90/48/357399048.db2.gz TZNMBQUADMGXON-GFCCVEGCSA-N 0 1 279.340 1.752 10 5 CDBEMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](O)C1(C)C ZINC000361403085 358174597 /nfs/dbraw/zinc/17/45/97/358174597.db2.gz MDAURBOTRVIPPU-ZDUSSCGKSA-N 0 1 280.324 1.949 10 5 CDBEMN CC[C@H](NCc1c[nH]nn1)c1cccc([N+](=O)[O-])c1 ZINC000294911910 199243525 /nfs/dbraw/zinc/24/35/25/199243525.db2.gz FTWVHELDSIKYGH-LBPRGKRZSA-N 0 1 261.285 1.954 10 5 CDBEMN C[C@@H](CO)[C@H](C)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000450738336 358994456 /nfs/dbraw/zinc/99/44/56/358994456.db2.gz MQBFYWBAQKLHQU-YUMQZZPRSA-N 0 1 274.267 1.980 10 5 CDBEMN CCc1[nH]nc(C(=O)N(C)Cc2cc(C)on2)c1[N+](=O)[O-] ZINC000339032023 359281287 /nfs/dbraw/zinc/28/12/87/359281287.db2.gz ZXZHMFKQIXGJAL-UHFFFAOYSA-N 0 1 293.283 1.449 10 5 CDBEMN Cn1cncc1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000571500502 359579066 /nfs/dbraw/zinc/57/90/66/359579066.db2.gz IORCULQDUZOWJJ-UHFFFAOYSA-N 0 1 286.335 1.929 10 5 CDBEMN CCc1[nH]nc(C(=O)N2CC[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000408439457 361000310 /nfs/dbraw/zinc/00/03/10/361000310.db2.gz RLGGTLYMGJKXGE-PSASIEDQSA-N 0 1 278.312 1.895 10 5 CDBEMN C[N@@H+]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1(C)C ZINC000580723552 363935234 /nfs/dbraw/zinc/93/52/34/363935234.db2.gz CBRHDPWTXGNBBH-UHFFFAOYSA-N 0 1 293.323 1.467 10 5 CDBEMN C[N@H+]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1(C)C ZINC000580723552 363935240 /nfs/dbraw/zinc/93/52/40/363935240.db2.gz CBRHDPWTXGNBBH-UHFFFAOYSA-N 0 1 293.323 1.467 10 5 CDBEMN C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275872643 193151469 /nfs/dbraw/zinc/15/14/69/193151469.db2.gz NWUYMAMNPVPCMX-BPLDGKMQSA-N 0 1 294.351 1.864 10 5 CDBEMN CC[C@@H](CO)N1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000266241893 371711225 /nfs/dbraw/zinc/71/12/25/371711225.db2.gz XPMFLVGWWMQQES-ZDUSSCGKSA-N 0 1 293.367 1.796 10 5 CDBEMN Cc1cc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000532017684 374525006 /nfs/dbraw/zinc/52/50/06/374525006.db2.gz QZIDEGVEJQWSIG-MRVPVSSYSA-N 0 1 289.295 1.382 10 5 CDBEMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCOC[C@H](O)C1 ZINC000449412374 374807858 /nfs/dbraw/zinc/80/78/58/374807858.db2.gz CDVZXINXPHLBHG-WASHYIJTSA-N 0 1 292.335 1.691 10 5 CDBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CCNC(=O)N(C)C ZINC000355078206 375773148 /nfs/dbraw/zinc/77/31/48/375773148.db2.gz ZXYDCSLXRJSBCD-LLVKDONJSA-N 0 1 294.355 1.859 10 5 CDBEMN O=C(NCc1cscn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356519781 375850389 /nfs/dbraw/zinc/85/03/89/375850389.db2.gz XCNHDWVCGWKAIM-UHFFFAOYSA-N 0 1 279.277 1.687 10 5 CDBEMN Cc1sc(C(=O)N(C)Cc2nnc[nH]2)cc1[N+](=O)[O-] ZINC000172620115 377654841 /nfs/dbraw/zinc/65/48/41/377654841.db2.gz XBVGPYBJLZHJQR-UHFFFAOYSA-N 0 1 281.297 1.355 10 5 CDBEMN C[C@H]1NC(=O)CC[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000281516384 195271884 /nfs/dbraw/zinc/27/18/84/195271884.db2.gz AJZDKVCZOBIXTF-APPZFPTMSA-N 0 1 269.326 1.413 10 5 CDBEMN CC(=O)[C@@](C)(O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000450970190 390584019 /nfs/dbraw/zinc/58/40/19/390584019.db2.gz DCOYQIDUMXLDRF-AWEZNQCLSA-N 0 1 280.324 1.409 10 5 CDBEMN Cc1cc(C)c([N+](=O)[O-])c(NCCN2CCC(O)CC2)n1 ZINC000450865282 390565782 /nfs/dbraw/zinc/56/57/82/390565782.db2.gz IPMJHIKWPSZFMR-UHFFFAOYSA-N 0 1 294.355 1.475 10 5 CDBEMN CC(C)(C)c1nc(CNc2ccncc2[N+](=O)[O-])n[nH]1 ZINC000413420513 391212318 /nfs/dbraw/zinc/21/23/18/391212318.db2.gz VFPGAJIUJOKZAJ-UHFFFAOYSA-N 0 1 276.300 1.439 10 5 CDBEMN C[C@H]1C[N@@H+](C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000408104404 391394487 /nfs/dbraw/zinc/39/44/87/391394487.db2.gz PUXVABWFDWJVLP-QMMMGPOBSA-N 0 1 293.352 1.740 10 5 CDBEMN C[C@H]1CN(C)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000408104404 391394489 /nfs/dbraw/zinc/39/44/89/391394489.db2.gz PUXVABWFDWJVLP-QMMMGPOBSA-N 0 1 293.352 1.740 10 5 CDBEMN O=[N+]([O-])c1cccc(OCCN2CC[C@@]23CCOC3)c1 ZINC000421021261 392926427 /nfs/dbraw/zinc/92/64/27/392926427.db2.gz OIGOBGLSORDIPP-AWEZNQCLSA-N 0 1 278.308 1.838 10 5 CDBEMN COc1ccc([N+](=O)[O-])c(N2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000425286007 393016917 /nfs/dbraw/zinc/01/69/17/393016917.db2.gz PISRSSVHOZHSSL-VIFPVBQESA-N 0 1 289.295 1.715 10 5 CDBEMN CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCCN(C)C1 ZINC000532138465 393067626 /nfs/dbraw/zinc/06/76/26/393067626.db2.gz MDTLZPQFQAXHSA-NSHDSACASA-N 0 1 278.312 1.156 10 5 CDBEMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN2CCC1CC2 ZINC000188845194 140102375 /nfs/dbraw/zinc/10/23/75/140102375.db2.gz QTEDOQDREXHJKT-UHFFFAOYSA-N 0 1 275.308 1.515 10 5 CDBEMN COC(=O)[C@@](C)(O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343690283 152268007 /nfs/dbraw/zinc/26/80/07/152268007.db2.gz MUQPXTWLZZCGQF-ZANVPECISA-N 0 1 282.296 1.169 10 5 CDBEMN C[C@H]1CC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000343982571 152378456 /nfs/dbraw/zinc/37/84/56/152378456.db2.gz KMQQJIJYKRWDJS-XVKPBYJWSA-N 0 1 274.280 1.999 10 5 CDBEMN CCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000006709504 170230908 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525138949 /nfs/dbraw/zinc/13/89/49/525138949.db2.gz JVZRUYWCLFGAIZ-PRHODGIISA-N 0 1 280.280 1.455 10 5 CDBEMN Cc1ccc([N+](=O)[O-])cc1-c1noc([C@H]2CNCCO2)n1 ZINC000050441228 526069518 /nfs/dbraw/zinc/06/95/18/526069518.db2.gz PHWPHLAXDHPPNS-LLVKDONJSA-N 0 1 290.279 1.614 10 5 CDBEMN NC(=O)[C@@H](N)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000050440717 526954568 /nfs/dbraw/zinc/95/45/68/526954568.db2.gz GJJLDYFZMKQQKK-ZETCQYMHSA-N 0 1 294.094 1.093 10 5 CDBEMN NC(=O)[C@@](N)(COc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000069198320 526988904 /nfs/dbraw/zinc/98/89/04/526988904.db2.gz SYFYRKQSJLUVFA-GFCCVEGCSA-N 0 1 299.714 1.220 10 5 CDBEMN Nc1cc(N)nc(SCc2cc([N+](=O)[O-])ccc2N)n1 ZINC000050839431 527455819 /nfs/dbraw/zinc/45/58/19/527455819.db2.gz LWPBVXKWJURSEP-UHFFFAOYSA-N 0 1 292.324 1.424 10 5 CDBEMN Nc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN3CCC2CC3)c1 ZINC000050699342 527502228 /nfs/dbraw/zinc/50/22/28/527502228.db2.gz QDQKJIUMVRDISI-LBPRGKRZSA-N 0 1 290.323 1.001 10 5 CDBEMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH]nn1 ZINC000755443455 576945047 /nfs/dbraw/zinc/94/50/47/576945047.db2.gz HBRGSQRBSQYPEZ-TWGQIWQCSA-N 0 1 287.279 1.433 10 5 CDBEMN Cc1cc(F)cc(C(=O)NCc2c[nH]nn2)c1[N+](=O)[O-] ZINC000758508692 577112641 /nfs/dbraw/zinc/11/26/41/577112641.db2.gz QLXHNGDWBIXZDA-UHFFFAOYSA-N 0 1 279.231 1.090 10 5 CDBEMN Cc1n[nH]c(C2CN(c3nccc(C)c3[N+](=O)[O-])C2)n1 ZINC000904217944 626222904 /nfs/dbraw/zinc/22/29/04/626222904.db2.gz XUDBHQBXQBBUEK-UHFFFAOYSA-N 0 1 274.284 1.329 10 5 CDBEMN Cc1nc(C2CN(c3nccc(C)c3[N+](=O)[O-])C2)n[nH]1 ZINC000904217944 626222906 /nfs/dbraw/zinc/22/29/06/626222906.db2.gz XUDBHQBXQBBUEK-UHFFFAOYSA-N 0 1 274.284 1.329 10 5 CDBEMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912908015 630273983 /nfs/dbraw/zinc/27/39/83/630273983.db2.gz LCSRGFIWTAEJSP-GFCCVEGCSA-N 0 1 289.335 1.823 10 5 CDBEMN O=C(CCc1cccc([N+](=O)[O-])c1)NC12CCN(CC1)C2 ZINC000913631268 630715838 /nfs/dbraw/zinc/71/58/38/630715838.db2.gz TVDRTVMWBIKOCW-UHFFFAOYSA-N 0 1 289.335 1.492 10 5 CDBEMN Cc1ncsc1CCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001641023183 1167071103 /nfs/dbraw/zinc/07/11/03/1167071103.db2.gz KTRRCFNXHWQZIP-UHFFFAOYSA-N 0 1 281.297 1.055 10 5 CDBEMN CSc1ccncc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001566203984 1168250941 /nfs/dbraw/zinc/25/09/41/1168250941.db2.gz RPDRGSLBJKKKOF-UHFFFAOYSA-N 0 1 293.308 1.698 10 5 CDBEMN CSc1cc[nH+]cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001566203984 1168250950 /nfs/dbraw/zinc/25/09/50/1168250950.db2.gz RPDRGSLBJKKKOF-UHFFFAOYSA-N 0 1 293.308 1.698 10 5 CDBEMN Cc1ccc(NC(=O)CN(C)C2CCC2)c(N)c1[N+](=O)[O-] ZINC001653214253 1171517380 /nfs/dbraw/zinc/51/73/80/1171517380.db2.gz BRWGDQYYEFALFI-UHFFFAOYSA-N 0 1 292.339 1.908 10 5 CDBEMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](O)[C@@H](CO)C1 ZINC001618599725 1171617422 /nfs/dbraw/zinc/61/74/22/1171617422.db2.gz QUHBLDFXEDDNGU-GYSYKLTISA-N 0 1 280.324 1.331 10 5 CDBEMN Cc1nn(C[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC001656603782 1171852359 /nfs/dbraw/zinc/85/23/59/1171852359.db2.gz RTRFOGCZVAITJL-JTQLQIEISA-N 0 1 268.317 1.068 10 5 CDBEMN CCOC1CC2(C[C@@H]2NC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC001595051713 1174195570 /nfs/dbraw/zinc/19/55/70/1174195570.db2.gz IWCNYMXZRQRVOY-AZOHRERUSA-N 0 1 280.284 1.005 10 5 CDBEMN COCCC(=O)NCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001690919163 1175610313 /nfs/dbraw/zinc/61/03/13/1175610313.db2.gz FQKUGDLVZSSEMF-UHFFFAOYSA-N 0 1 295.339 1.179 10 5 CDBEMN COc1ccc(NC(=O)Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC001637052445 1166722021 /nfs/dbraw/zinc/72/20/21/1166722021.db2.gz PTBKNVHZSWFXSC-UHFFFAOYSA-N 0 1 276.252 1.508 10 5 CDBEMN COc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc2cccnc21 ZINC000839778084 833389032 /nfs/dbraw/zinc/38/90/32/833389032.db2.gz VHWUDBTUWGWDIV-GHMZBOCLSA-N 0 1 287.275 1.847 10 5 CDBEMN COc1ccc2c(c1)C[C@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])O2 ZINC000922802532 829527211 /nfs/dbraw/zinc/52/72/11/829527211.db2.gz NHLLSXMKKJPWTN-IJLUTSLNSA-N 0 1 293.275 1.207 10 5 CDBEMN O=C(NCCC[C@H]1CCCC[C@H]1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839708530 830412231 /nfs/dbraw/zinc/41/22/31/830412231.db2.gz KVKZVYPHOTVXHO-DDHJBXDOSA-N 0 1 270.329 1.099 10 5 CDBEMN O=C(NC[C@H]1CCCC2(CCC2)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000832300842 830477433 /nfs/dbraw/zinc/47/74/33/830477433.db2.gz GHZKKYRGCMRZTM-GMTAPVOTSA-N 0 1 268.313 1.260 10 5 CDBEMN Cc1cnc(CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000839712915 833717785 /nfs/dbraw/zinc/71/77/85/833717785.db2.gz NGTSHPBJKFENAF-RKDXNWHRSA-N 0 1 269.326 1.118 10 5 CDBEMN CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959693 832442088 /nfs/dbraw/zinc/44/20/88/832442088.db2.gz SEHSOEMCWKHEJR-DKTWLAJQSA-N 0 1 281.287 1.430 10 5 CDBEMN C[C@H](O)CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000798193689 834823898 /nfs/dbraw/zinc/82/38/98/834823898.db2.gz OFJUEJUZQQGFSB-LBPRGKRZSA-N 0 1 279.340 1.488 10 5 CDBEMN CC(C)(C)[C@@H]1C[C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])CCO1 ZINC000873566983 834846134 /nfs/dbraw/zinc/84/61/34/834846134.db2.gz GGWOQZOHDXZLBF-ZDCRXTMVSA-N 0 1 271.313 1.789 10 5 CDBEMN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CC2CN(C)C2)c1F ZINC000857649592 834891029 /nfs/dbraw/zinc/89/10/29/834891029.db2.gz XUNOXXOCLQKLLS-UHFFFAOYSA-N 0 1 295.314 1.676 10 5 CDBEMN Cc1nsc(C)c1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000841243939 835352640 /nfs/dbraw/zinc/35/26/40/835352640.db2.gz ZIBGRUWYLRTABT-VXNVDRBHSA-N 0 1 256.283 1.468 10 5 CDBEMN CSCc1n[nH]c(CNc2c([N+](=O)[O-])c(C)nn2C)n1 ZINC001187640605 920595824 /nfs/dbraw/zinc/59/58/24/920595824.db2.gz SHNPEHFGKKSQCY-UHFFFAOYSA-N 0 1 297.344 1.230 10 5 CDBEMN CSCc1nnc(CNc2c([N+](=O)[O-])c(C)nn2C)[nH]1 ZINC001187640605 920595835 /nfs/dbraw/zinc/59/58/35/920595835.db2.gz SHNPEHFGKKSQCY-UHFFFAOYSA-N 0 1 297.344 1.230 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2)CC1 ZINC001135170135 930078415 /nfs/dbraw/zinc/07/84/15/930078415.db2.gz RAVSAONIGFMJKH-MGPQQGTHSA-N 0 1 290.319 1.642 10 5 CDBEMN O=C(NC[C@@H]1C[C@@H]1C1CCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001263978683 944050470 /nfs/dbraw/zinc/05/04/70/944050470.db2.gz SILDNVVYYCOJJV-IRCOFANPSA-N 0 1 252.314 1.594 10 5 CDBEMN O=[N+]([O-])[C@@H]1C[C@H]1c1nnc(Cc2ccsc2)o1 ZINC001326986083 954651419 /nfs/dbraw/zinc/65/14/19/954651419.db2.gz LKCUKUHPKJCKAH-HTQZYQBOSA-N 0 1 251.267 1.855 10 5 CDBEMN Cc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc(Cl)n1 ZINC001559003581 965390555 /nfs/dbraw/zinc/39/05/55/965390555.db2.gz CFZIHSSXUHBYBR-UHFFFAOYSA-N 0 1 295.686 1.605 10 5 CDBEMN O=C(Cc1nnc[nH]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001446116129 966453194 /nfs/dbraw/zinc/45/31/94/966453194.db2.gz OMKCSHYOTMGGOZ-UHFFFAOYSA-N 0 1 295.686 1.225 10 5 CDBEMN C[C@@](CO)(NC[C@@H]1CCC(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC001460622167 969528090 /nfs/dbraw/zinc/52/80/90/969528090.db2.gz SEMVNHBGAWXXRV-JSGCOSHPSA-N 0 1 294.307 1.098 10 5 CDBEMN O=C(Cc1cnc[nH]1)NCc1cccc([N+](=O)[O-])c1 ZINC001465192247 969851723 /nfs/dbraw/zinc/85/17/23/969851723.db2.gz ZEZOFPYMVUTNAU-UHFFFAOYSA-N 0 1 260.253 1.177 10 5 CDBEMN O=C(CCc1c[nH]nn1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001465563213 969883065 /nfs/dbraw/zinc/88/30/65/969883065.db2.gz LQMSZDJWCZZUAB-UHFFFAOYSA-N 0 1 287.279 1.188 10 5 CDBEMN O=C(CCc1cnn[nH]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001465563213 969883070 /nfs/dbraw/zinc/88/30/70/969883070.db2.gz LQMSZDJWCZZUAB-UHFFFAOYSA-N 0 1 287.279 1.188 10 5 CDBEMN CN1C[C@@H](NC(=O)c2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC001472025466 970539042 /nfs/dbraw/zinc/53/90/42/970539042.db2.gz BSYGPWSZEWAMOA-GFCCVEGCSA-N 0 1 295.314 1.804 10 5 CDBEMN CCn1c(C)nc([N+](=O)[O-])c1N1CC(N2CCCC2)C1 ZINC000601193543 342488664 /nfs/dbraw/zinc/48/86/64/342488664.db2.gz KBFKQFLYNKEJTI-UHFFFAOYSA-N 0 1 279.344 1.404 10 5 CDBEMN Cc1sc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590441470 342545904 /nfs/dbraw/zinc/54/59/04/342545904.db2.gz CQQYERPXOANZCB-ONGXEEELSA-N 0 1 295.364 1.741 10 5 CDBEMN O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000592904214 342742754 /nfs/dbraw/zinc/74/27/54/342742754.db2.gz WVMNMMJTZPODAV-BWZBUEFSSA-N 0 1 250.258 1.236 10 5 CDBEMN COCCC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000289947748 361914082 /nfs/dbraw/zinc/91/40/82/361914082.db2.gz BBWACPWWBUFBBL-AWEZNQCLSA-N 0 1 294.351 1.987 10 5 CDBEMN CC(C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594745439 342952965 /nfs/dbraw/zinc/95/29/65/342952965.db2.gz ZNIGUDPFYCOBTL-UHFFFAOYSA-N 0 1 273.314 1.314 10 5 CDBEMN COCc1nc(CNCc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000594969141 342991983 /nfs/dbraw/zinc/99/19/83/342991983.db2.gz MUVUKLHERKBXPK-UHFFFAOYSA-N 0 1 295.274 1.288 10 5 CDBEMN C[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)CS1(=O)=O ZINC000594975219 342992616 /nfs/dbraw/zinc/99/26/16/342992616.db2.gz NEAYIRWDHOVPTL-JQWIXIFHSA-N 0 1 298.364 1.650 10 5 CDBEMN CO[C@@H](CNCc1csc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594948981 342981471 /nfs/dbraw/zinc/98/14/71/342981471.db2.gz DEARWDOIBIMEJL-QWRGUYRKSA-N 0 1 286.353 1.797 10 5 CDBEMN COC[C@@H](CN(C)Cc1ccccc1[N+](=O)[O-])OC ZINC000595289098 343024157 /nfs/dbraw/zinc/02/41/57/343024157.db2.gz OBSRCDJPNPDYAB-GFCCVEGCSA-N 0 1 268.313 1.688 10 5 CDBEMN CC(C)OC[C@H](N)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595255059 343012214 /nfs/dbraw/zinc/01/22/14/343012214.db2.gz SOZQWSHMQNFVBN-NSHDSACASA-N 0 1 267.285 1.286 10 5 CDBEMN CCc1[nH]nc(C(=O)N2CC[C@@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC000597664109 343599980 /nfs/dbraw/zinc/59/99/80/343599980.db2.gz CSVMBAKEWJGPGX-ZCFIWIBFSA-N 0 1 292.217 1.657 10 5 CDBEMN CCC(C)(C)[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597952803 343677636 /nfs/dbraw/zinc/67/76/36/343677636.db2.gz XFAIMQGVMSTWOQ-SSDOTTSWSA-N 0 1 254.290 1.872 10 5 CDBEMN Cc1[nH]nc(C(=O)N2CCC[C@](O)(C3CC3)C2)c1[N+](=O)[O-] ZINC000598186493 343731142 /nfs/dbraw/zinc/73/11/42/343731142.db2.gz PLORFLFERGCQQM-CYBMUJFWSA-N 0 1 294.311 1.003 10 5 CDBEMN Cc1ccc(NC(=O)[C@]2(C)CNCCO2)cc1[N+](=O)[O-] ZINC000602433918 344425413 /nfs/dbraw/zinc/42/54/13/344425413.db2.gz ULWTXLPDGSQDPD-ZDUSSCGKSA-N 0 1 279.296 1.220 10 5 CDBEMN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(C)C1 ZINC000604199352 344865567 /nfs/dbraw/zinc/86/55/67/344865567.db2.gz QCKMRSGYXBHTRL-SNVBAGLBSA-N 0 1 293.323 1.427 10 5 CDBEMN C[C@H](CO)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000120626998 345296212 /nfs/dbraw/zinc/29/62/12/345296212.db2.gz DHXFLUIMJSFIPH-LBPRGKRZSA-N 0 1 279.340 1.345 10 5 CDBEMN C[C@@H]1COC[C@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093606593 345628168 /nfs/dbraw/zinc/62/81/68/345628168.db2.gz CIWUGPIFNBAWHI-AOOOYVTPSA-N 0 1 266.297 1.910 10 5 CDBEMN Cc1cc(S(=O)(=O)Nc2cnoc2)ccc1[N+](=O)[O-] ZINC000609657775 345986566 /nfs/dbraw/zinc/98/65/66/345986566.db2.gz RLQSIEMMBCLPRN-UHFFFAOYSA-N 0 1 283.265 1.692 10 5 CDBEMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](NC(N)=O)C1 ZINC000273441358 192150726 /nfs/dbraw/zinc/15/07/26/192150726.db2.gz MWIXXWYVELHENI-LLVKDONJSA-N 0 1 278.312 1.146 10 5 CDBEMN CN(CCCCO)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615973295 349192527 /nfs/dbraw/zinc/19/25/27/349192527.db2.gz VJIRCSOTITWCMO-UHFFFAOYSA-N 0 1 296.323 1.570 10 5 CDBEMN COc1ccc([N+](=O)[O-])cc1CN(C)CC1CC(O)C1 ZINC000091489868 180169209 /nfs/dbraw/zinc/16/92/09/180169209.db2.gz NITYTSDZTVHYDD-UHFFFAOYSA-N 0 1 280.324 1.806 10 5 CDBEMN C[C@H]1CN(CCCNc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000066797652 350876406 /nfs/dbraw/zinc/87/64/06/350876406.db2.gz HXRWSQVNJJBIRT-RYUDHWBXSA-N 0 1 294.355 1.901 10 5 CDBEMN Cc1cnc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000361263118 358124668 /nfs/dbraw/zinc/12/46/68/358124668.db2.gz RFDFVCBOEHOVCH-GFCCVEGCSA-N 0 1 276.340 1.971 10 5 CDBEMN C[C@@H](NC(=O)c1ncn[nH]1)c1ccccc1[N+](=O)[O-] ZINC000342477987 359068109 /nfs/dbraw/zinc/06/81/09/359068109.db2.gz YASGBBOJFJMCOW-SSDOTTSWSA-N 0 1 261.241 1.204 10 5 CDBEMN C[C@@H](NC(=O)c1nc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000342477987 359068111 /nfs/dbraw/zinc/06/81/11/359068111.db2.gz YASGBBOJFJMCOW-SSDOTTSWSA-N 0 1 261.241 1.204 10 5 CDBEMN O=C(NCc1ncc(-c2ccccc2)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC000369908420 360718745 /nfs/dbraw/zinc/71/87/45/360718745.db2.gz MAYLALRHMLRCHM-CHWSQXEVSA-N 0 1 298.302 1.425 10 5 CDBEMN Cc1ccc([C@H](C)N[C@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000179069564 189166204 /nfs/dbraw/zinc/16/62/04/189166204.db2.gz BJUADPRZLWBVBU-ONGXEEELSA-N 0 1 263.297 1.442 10 5 CDBEMN O=C(NCCCc1ccccn1)c1n[nH]cc1[N+](=O)[O-] ZINC000179757081 189218432 /nfs/dbraw/zinc/21/84/32/189218432.db2.gz JYMBHZYKUFFBAR-UHFFFAOYSA-N 0 1 275.268 1.076 10 5 CDBEMN CC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181985733 365059519 /nfs/dbraw/zinc/05/95/19/365059519.db2.gz IDLMUIYLGDGAGL-JTQLQIEISA-N 0 1 293.323 1.515 10 5 CDBEMN O=[N+]([O-])c1ccc(O)cc1CN1CCSC[C@@H]1CO ZINC000330447387 374856088 /nfs/dbraw/zinc/85/60/88/374856088.db2.gz GBURGKAQOUSLHC-JTQLQIEISA-N 0 1 284.337 1.210 10 5 CDBEMN COC(=O)[C@@H]1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000351624053 375313705 /nfs/dbraw/zinc/31/37/05/375313705.db2.gz WEQIDRUMVRIWHI-GFCCVEGCSA-N 0 1 278.308 1.898 10 5 CDBEMN C[C@@H](CCNCc1csc([N+](=O)[O-])c1)[S@@](C)=O ZINC000129447102 375631543 /nfs/dbraw/zinc/63/15/43/375631543.db2.gz DIBCUWXOECMUOV-QPFGOUBPSA-N 0 1 276.383 1.903 10 5 CDBEMN O=C(N[C@H](c1cccnc1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000345073422 375751686 /nfs/dbraw/zinc/75/16/86/375751686.db2.gz XMHQKWYIDRWYLH-NSHDSACASA-N 0 1 287.279 1.594 10 5 CDBEMN O=C(N[C@@H]1C[C@H]1C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000435962538 248212959 /nfs/dbraw/zinc/21/29/59/248212959.db2.gz ASNQFQQMWZFLLK-JOYOIKCWSA-N 0 1 286.291 1.999 10 5 CDBEMN O=[N+]([O-])c1ccc(N2CCCN(CCO)CC2)c(F)c1 ZINC000069438272 378089353 /nfs/dbraw/zinc/08/93/53/378089353.db2.gz QQTXRWRHMCFSKZ-UHFFFAOYSA-N 0 1 283.303 1.238 10 5 CDBEMN CC[C@@H]1C[N@@H+](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000517105988 390968393 /nfs/dbraw/zinc/96/83/93/390968393.db2.gz HZHXCYUUTKBMFE-GFCCVEGCSA-N 0 1 279.340 1.826 10 5 CDBEMN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)[C@H](C)CN1CCO ZINC000418110085 392875938 /nfs/dbraw/zinc/87/59/38/392875938.db2.gz 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CDBEMN O=C(N[C@@H]1CCOC12CCCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC001653162627 1171513607 /nfs/dbraw/zinc/51/36/07/1171513607.db2.gz BHEMAWLWPRHNKV-SNVBAGLBSA-N 0 1 294.311 1.540 10 5 CDBEMN O=[N+]([O-])c1cc(F)cnc1N1CCCc2[nH]ncc2C1 ZINC000601199554 342489941 /nfs/dbraw/zinc/48/99/41/342489941.db2.gz SSZZQRUYXVXHFG-UHFFFAOYSA-N 0 1 277.259 1.805 10 5 CDBEMN Cc1cccc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000590443530 342546385 /nfs/dbraw/zinc/54/63/85/342546385.db2.gz KPPWNRWILGTQTM-YPMHNXCESA-N 0 1 289.335 1.679 10 5 CDBEMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2O)n1 ZINC000436818874 361745289 /nfs/dbraw/zinc/74/52/89/361745289.db2.gz WVGUTXSXQCGHJB-UHFFFAOYSA-N 0 1 294.242 1.908 10 5 CDBEMN CCc1nc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC000067770820 361982645 /nfs/dbraw/zinc/98/26/45/361982645.db2.gz KORPEVUPHIELHL-BDAKNGLRSA-N 0 1 269.326 1.329 10 5 CDBEMN C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCC1 ZINC000594752757 342954301 /nfs/dbraw/zinc/95/43/01/342954301.db2.gz BWLPIKWTNWVPEM-VIFPVBQESA-N 0 1 299.352 1.847 10 5 CDBEMN COCc1nc(CNCc2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000594970199 342991986 /nfs/dbraw/zinc/99/19/86/342991986.db2.gz VEOQDGHDUNLJLC-UHFFFAOYSA-N 0 1 291.311 1.458 10 5 CDBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756029 343142104 /nfs/dbraw/zinc/14/21/04/343142104.db2.gz BUKRTYURNKLKMC-GXFFZTMASA-N 0 1 264.281 1.257 10 5 CDBEMN Cc1c(CN2CCC(CO)(CO)C2)cccc1[N+](=O)[O-] ZINC000595798526 343157127 /nfs/dbraw/zinc/15/71/27/343157127.db2.gz FAJXSHKBMFFPDQ-UHFFFAOYSA-N 0 1 280.324 1.080 10 5 CDBEMN CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597946940 343676304 /nfs/dbraw/zinc/67/63/04/343676304.db2.gz SSXAABMZSLIQRX-NSHDSACASA-N 0 1 293.323 1.467 10 5 CDBEMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnoc2)cc1 ZINC000604542312 344899291 /nfs/dbraw/zinc/89/92/91/344899291.db2.gz MEWRXKFZVHXGND-UHFFFAOYSA-N 0 1 269.238 1.384 10 5 CDBEMN Cc1ccc(NC(=O)NCc2c[nH]nn2)cc1[N+](=O)[O-] ZINC000610541259 346306987 /nfs/dbraw/zinc/30/69/87/346306987.db2.gz JXYRIVZADRDQMA-UHFFFAOYSA-N 0 1 276.256 1.343 10 5 CDBEMN Cc1ccc([N+](=O)[O-])cc1Nc1cc(=O)nc(N)[nH]1 ZINC000584625019 346502695 /nfs/dbraw/zinc/50/26/95/346502695.db2.gz KSGWXDKCKCXPPU-UHFFFAOYSA-N 0 1 261.241 1.555 10 5 CDBEMN CCc1cc(=NCc2cc(OC)c(O)c([N+](=O)[O-])c2)[nH]o1 ZINC000611480229 346798125 /nfs/dbraw/zinc/79/81/25/346798125.db2.gz CNKAATATCUHBOF-UHFFFAOYSA-N 0 1 293.279 1.893 10 5 CDBEMN O=[N+]([O-])c1ccc(N2CCN3CCC2CC3)s1 ZINC000615727577 348653401 /nfs/dbraw/zinc/65/34/01/348653401.db2.gz IFEJDVWNYIIVCA-UHFFFAOYSA-N 0 1 253.327 1.941 10 5 CDBEMN CC(C)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066808257 350877241 /nfs/dbraw/zinc/87/72/41/350877241.db2.gz CFGFBRWZDYVEPX-UHFFFAOYSA-N 0 1 250.302 1.520 10 5 CDBEMN C[C@@H]1[C@@H](O)CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000294720654 199151832 /nfs/dbraw/zinc/15/18/32/199151832.db2.gz CLOZDSPAXSTDKL-MFKMUULPSA-N 0 1 250.298 1.940 10 5 CDBEMN CCOC(=O)[C@](C)(O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000274577861 358864833 /nfs/dbraw/zinc/86/48/33/358864833.db2.gz GVLUDFXAQYERIO-IINYFYTJSA-N 0 1 296.323 1.560 10 5 CDBEMN O=C(NCC1CC(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000366967830 364424300 /nfs/dbraw/zinc/42/43/00/364424300.db2.gz AGVRLDQXEDXVQA-CCAROEGRSA-N 0 1 274.320 1.962 10 5 CDBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000331172953 374900210 /nfs/dbraw/zinc/90/02/10/374900210.db2.gz IVZHSVCNHORNGB-JTQLQIEISA-N 0 1 266.297 1.505 10 5 CDBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000331172953 374900218 /nfs/dbraw/zinc/90/02/18/374900218.db2.gz IVZHSVCNHORNGB-JTQLQIEISA-N 0 1 266.297 1.505 10 5 CDBEMN CC[C@H]1CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000293824766 374957142 /nfs/dbraw/zinc/95/71/42/374957142.db2.gz AHKLXLGPRKNNAU-VIFPVBQESA-N 0 1 250.254 1.925 10 5 CDBEMN COc1cc(CN2C[C@@H](C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000352768974 375537203 /nfs/dbraw/zinc/53/72/03/375537203.db2.gz LEYRVMKUHNIMFR-SKDRFNHKSA-N 0 1 266.297 1.416 10 5 CDBEMN CCN1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000194664903 378436001 /nfs/dbraw/zinc/43/60/01/378436001.db2.gz HACRJECCTCIRGV-SNVBAGLBSA-N 0 1 295.314 1.948 10 5 CDBEMN COCC[C@@]1(NCc2csc([N+](=O)[O-])c2)CCOC1 ZINC000447075242 250337604 /nfs/dbraw/zinc/33/76/04/250337604.db2.gz JLTGMXNKWLSBTR-GFCCVEGCSA-N 0 1 286.353 1.942 10 5 CDBEMN CN(c1ncc([N+](=O)[O-])cc1F)[C@H]1CCN(C2CC2)C1 ZINC000413131669 413019103 /nfs/dbraw/zinc/01/91/03/413019103.db2.gz ABFUYZLPLGDOEG-JTQLQIEISA-N 0 1 280.303 1.802 10 5 CDBEMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(C)CC1 ZINC000103247576 390473874 /nfs/dbraw/zinc/47/38/74/390473874.db2.gz XCACIIZASNKUNH-UHFFFAOYSA-N 0 1 277.324 1.681 10 5 CDBEMN O=C1COc2c1cc(Br)cc2[N+](=O)[O-] ZINC000237993958 391723508 /nfs/dbraw/zinc/72/35/08/391723508.db2.gz MDAIRABVHIAYQU-UHFFFAOYSA-N 0 1 258.027 1.932 10 5 CDBEMN COCCN1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000378032772 393090990 /nfs/dbraw/zinc/09/09/90/393090990.db2.gz LFTGIBBZKVQUQE-UHFFFAOYSA-N 0 1 280.328 1.148 10 5 CDBEMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000331213921 393147137 /nfs/dbraw/zinc/14/71/37/393147137.db2.gz MHPIDUDKWLMEHD-QMMMGPOBSA-N 0 1 282.300 1.302 10 5 CDBEMN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCN(C2CC2)C1 ZINC000347004178 153375383 /nfs/dbraw/zinc/37/53/83/153375383.db2.gz BIZIBWOGSMWCRH-JTQLQIEISA-N 0 1 279.296 1.497 10 5 CDBEMN CC1(C)Oc2ccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])cc2O1 ZINC000046098257 175392819 /nfs/dbraw/zinc/39/28/19/175392819.db2.gz PWXURLKCEVTTAI-BDAKNGLRSA-N 0 1 278.264 1.798 10 5 CDBEMN CNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000048805965 424305516 /nfs/dbraw/zinc/30/55/16/424305516.db2.gz RFVGVTONLPNIGA-SCZZXKLOSA-N 0 1 297.698 1.303 10 5 CDBEMN Cc1ccc(N2CCN(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000269977420 274748393 /nfs/dbraw/zinc/74/83/93/274748393.db2.gz ZHFIYVITHBCWBN-UHFFFAOYSA-N 0 1 279.340 1.408 10 5 CDBEMN Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000471705286 281014587 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ZINC000052762009 527349829 /nfs/dbraw/zinc/34/98/29/527349829.db2.gz XXGCWJRRHFGHEK-SNVBAGLBSA-N 0 1 254.286 1.925 10 5 CDBEMN Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1 ZINC000050636173 527461349 /nfs/dbraw/zinc/46/13/49/527461349.db2.gz MRIXXLSFYFUBQW-UHFFFAOYSA-N 0 1 293.304 1.978 10 5 CDBEMN C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCN1C ZINC000761077818 576543329 /nfs/dbraw/zinc/54/33/29/576543329.db2.gz NMKNCMGCIMVKSV-JTQLQIEISA-N 0 1 267.304 1.870 10 5 CDBEMN C[C@H]1CCC(=O)CN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000932875969 617388874 /nfs/dbraw/zinc/38/88/74/617388874.db2.gz GZBISUJCETUBTB-VIFPVBQESA-N 0 1 264.281 1.854 10 5 CDBEMN CN1CC[C@H]1CNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931606594 618074762 /nfs/dbraw/zinc/07/47/62/618074762.db2.gz BNIVTLSQJCSDFL-VIFPVBQESA-N 0 1 282.275 1.560 10 5 CDBEMN CC(C)[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])N1CCCCC1 ZINC000814048042 618697523 /nfs/dbraw/zinc/69/75/23/618697523.db2.gz HHPKAKPRBOVMMR-RYUDHWBXSA-N 0 1 272.345 1.705 10 5 CDBEMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN1C ZINC000928557368 619369599 /nfs/dbraw/zinc/36/95/99/619369599.db2.gz FPFDUTQERMTSCI-FPAJZGIOSA-N 0 1 289.335 1.818 10 5 CDBEMN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC(N2CCCC2)C1 ZINC000898609324 621817965 /nfs/dbraw/zinc/81/79/65/621817965.db2.gz JACMTFVFXAWALN-UHFFFAOYSA-N 0 1 293.298 1.654 10 5 CDBEMN CC(C)(CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)(F)F ZINC000825806306 684366705 /nfs/dbraw/zinc/36/67/05/684366705.db2.gz KOLQDPQYHAUTOL-RNFRBKRXSA-N 0 1 250.245 1.449 10 5 CDBEMN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840418227 685630983 /nfs/dbraw/zinc/63/09/83/685630983.db2.gz NCALNCXGNAVEPD-OXIWPEFWSA-N 0 1 284.356 1.345 10 5 CDBEMN CCc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC000839713304 684566129 /nfs/dbraw/zinc/56/61/29/684566129.db2.gz QHTADWKDOFWZRC-MWLCHTKSSA-N 0 1 252.245 1.992 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(F)(C2CC2)CC1 ZINC000834563122 684648089 /nfs/dbraw/zinc/64/80/89/684648089.db2.gz KROZQMMLJHYUJX-NXEZZACHSA-N 0 1 256.277 1.392 10 5 CDBEMN CCN1CC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000712334753 684725008 /nfs/dbraw/zinc/72/50/08/684725008.db2.gz XDFNQIKYTVTLBX-JTQLQIEISA-N 0 1 281.287 1.558 10 5 CDBEMN CCN1CC[C@@H]1CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000712542298 684825463 /nfs/dbraw/zinc/82/54/63/684825463.db2.gz ISEUDVSCPISTSJ-SNVBAGLBSA-N 0 1 267.333 1.626 10 5 CDBEMN C[C@@H](NC[C@]1(O)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052971 684826534 /nfs/dbraw/zinc/82/65/34/684826534.db2.gz UXDRKGQTNQJVMS-NOZJJQNGSA-N 0 1 284.287 1.536 10 5 CDBEMN O=[N+]([O-])c1cnc(N[C@@H]2CCCN3CCSC[C@H]23)nc1 ZINC000720475036 686868397 /nfs/dbraw/zinc/86/83/97/686868397.db2.gz QAUGYJPVZZVLCC-GHMZBOCLSA-N 0 1 295.368 1.377 10 5 CDBEMN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[N@H+]1C ZINC000928435923 687044161 /nfs/dbraw/zinc/04/41/61/687044161.db2.gz HVRGRRKRVTVLAK-KWQFWETISA-N 0 1 279.296 1.123 10 5 CDBEMN C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000840418223 687698230 /nfs/dbraw/zinc/69/82/30/687698230.db2.gz NCALNCXGNAVEPD-BIAAXOCRSA-N 0 1 284.356 1.345 10 5 CDBEMN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000187829935 687936328 /nfs/dbraw/zinc/93/63/28/687936328.db2.gz LBJWGLPJSICYFC-UONOGXRCSA-N 0 1 280.324 1.739 10 5 CDBEMN O=C([O-])C12CC(C1)C[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849344855 688011109 /nfs/dbraw/zinc/01/11/09/688011109.db2.gz REOBFEFCYKZACP-PEUVISTOSA-N 0 1 292.291 1.177 10 5 CDBEMN CC1(C)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]1c1ccco1 ZINC000869790355 688021019 /nfs/dbraw/zinc/02/10/19/688021019.db2.gz WWMINEMEDDEUKF-KKZNHRDASA-N 0 1 264.281 1.854 10 5 CDBEMN C[C@@H](CNC(=O)c1cnn[nH]1)c1ccccc1[N+](=O)[O-] ZINC001651245683 1171307372 /nfs/dbraw/zinc/30/73/72/1171307372.db2.gz XYHRGOGKEKYCRH-QMMMGPOBSA-N 0 1 275.268 1.246 10 5 CDBEMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](O)[C@H](CO)C1 ZINC001618599728 1171618869 /nfs/dbraw/zinc/61/88/69/1171618869.db2.gz QUHBLDFXEDDNGU-UHIISALHSA-N 0 1 280.324 1.331 10 5 CDBEMN Cc1c(CNC2COCCOC2)cccc1[N+](=O)[O-] ZINC000311672201 1186688802 /nfs/dbraw/zinc/68/88/02/1186688802.db2.gz YSCUCOASKJTXIB-UHFFFAOYSA-N 0 1 266.297 1.408 10 5 CDBEMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cnc[nH]1 ZINC000312585217 1186700554 /nfs/dbraw/zinc/70/05/54/1186700554.db2.gz UIXRCTOORRCORM-UHFFFAOYSA-N 0 1 278.243 1.695 10 5 CDBEMN COCc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001629693347 1166157262 /nfs/dbraw/zinc/15/72/62/1166157262.db2.gz NJXOHVAKJYNTHD-MWLCHTKSSA-N 0 1 266.253 1.142 10 5 CDBEMN CC(C)c1nc([C@@H](CO)NC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001644008300 1167286698 /nfs/dbraw/zinc/28/66/98/1167286698.db2.gz XYTZQBDWFJHHHD-NQMVMOMDSA-N 0 1 299.352 1.081 10 5 CDBEMN Cc1[nH]nc(C(=O)N2Cc3ccc(O)cc3C2)c1[N+](=O)[O-] ZINC001167324955 895269031 /nfs/dbraw/zinc/26/90/31/895269031.db2.gz KEASRJKZKMCUAB-UHFFFAOYSA-N 0 1 288.263 1.488 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCC[C@H]1c1ncccn1 ZINC001176785437 914252468 /nfs/dbraw/zinc/25/24/68/914252468.db2.gz MHCGDIUNGIRJSJ-OUAUKWLOSA-N 0 1 276.296 1.195 10 5 CDBEMN Cc1[nH+]ccn1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001138013298 936454393 /nfs/dbraw/zinc/45/43/93/936454393.db2.gz LDDFZTDCKXQAGO-UHFFFAOYSA-N 0 1 276.252 1.444 10 5 CDBEMN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc2cncn2c1C ZINC001344997393 964526937 /nfs/dbraw/zinc/52/69/37/964526937.db2.gz DDTIHLLAWWKSAC-NSHDSACASA-N 0 1 277.280 1.855 10 5 CDBEMN Cc1cc(NC(=O)NC[C@@H]2CCN2C)cc([N+](=O)[O-])c1 ZINC001526956467 968625783 /nfs/dbraw/zinc/62/57/83/968625783.db2.gz FFQRJPONUMTYHR-NSHDSACASA-N 0 1 278.312 1.729 10 5 CDBEMN Cc1cc(C[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-])n[nH]1 ZINC001466068013 969917879 /nfs/dbraw/zinc/91/78/79/969917879.db2.gz QLKUHZLEUXSISY-VIFPVBQESA-N 0 1 282.344 1.601 10 5 CDBEMN CC(=O)NCCOCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC001571337668 1170371660 /nfs/dbraw/zinc/37/16/60/1170371660.db2.gz RLHNEUUERBYLLQ-UHFFFAOYSA-N 0 1 295.339 1.179 10 5 CDBEMN Cc1cc(C)c([N+](=O)[O-])c(NCCN2CC[C@@H](O)C2)n1 ZINC000599175441 343976073 /nfs/dbraw/zinc/97/60/73/343976073.db2.gz BISKVKPKSQZHCV-LLVKDONJSA-N 0 1 280.328 1.085 10 5 CDBEMN CC[N@H+]1CCC[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000162387556 342073266 /nfs/dbraw/zinc/07/32/66/342073266.db2.gz HFPCWTVCANVQPF-SNVBAGLBSA-N 0 1 294.311 1.584 10 5 CDBEMN CCCc1[nH]nc(C(=O)N2CC3(C2)CCCO3)c1[N+](=O)[O-] ZINC000600315026 342088642 /nfs/dbraw/zinc/08/86/42/342088642.db2.gz ULIVNECHGVXXPK-UHFFFAOYSA-N 0 1 294.311 1.275 10 5 CDBEMN COc1cc(COCCc2c[nH]nn2)ccc1[N+](=O)[O-] ZINC000565411988 365647603 /nfs/dbraw/zinc/64/76/03/365647603.db2.gz WUOOUMKAVURVHL-UHFFFAOYSA-N 0 1 278.268 1.481 10 5 CDBEMN CO[C@@]1(CO)CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000401711573 342623471 /nfs/dbraw/zinc/62/34/71/342623471.db2.gz VXQONNHDNYEYGZ-AWEZNQCLSA-N 0 1 280.324 1.568 10 5 CDBEMN CC[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)OC ZINC000592859008 342739230 /nfs/dbraw/zinc/73/92/30/342739230.db2.gz DGPPNHUCKFFBKF-MRVPVSSYSA-N 0 1 296.279 1.229 10 5 CDBEMN C/C=C/CS(=O)(=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593203202 342777951 /nfs/dbraw/zinc/77/79/51/342777951.db2.gz HUJVLPQLQCRDLZ-NSCUHMNNSA-N 0 1 271.294 1.791 10 5 CDBEMN Cc1sc(C(=O)N=c2ncn(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000593230426 342778152 /nfs/dbraw/zinc/77/81/52/342778152.db2.gz UEJNAHNNQJURND-UHFFFAOYSA-N 0 1 295.324 1.811 10 5 CDBEMN COC[C@@H](C)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000514995464 362001697 /nfs/dbraw/zinc/00/16/97/362001697.db2.gz MVPZGLOIGFNWAT-LBPRGKRZSA-N 0 1 294.355 1.394 10 5 CDBEMN COC[C@@H](CC(C)(C)C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000594401209 342900082 /nfs/dbraw/zinc/90/00/82/342900082.db2.gz MLKYRNFEUKAOFC-MRVPVSSYSA-N 0 1 284.316 1.499 10 5 CDBEMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1cnn(C)c1 ZINC000301286088 539094072 /nfs/dbraw/zinc/09/40/72/539094072.db2.gz MTXHOBNIKXOHKG-LBPRGKRZSA-N 0 1 290.327 1.438 10 5 CDBEMN CC(C)C[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594777630 342960952 /nfs/dbraw/zinc/96/09/52/342960952.db2.gz TZHCDINAXKYOSZ-VIFPVBQESA-N 0 1 287.341 1.703 10 5 CDBEMN O=[N+]([O-])c1ccc(CNC2CC(CO)C2)c(F)c1 ZINC000595001293 342995157 /nfs/dbraw/zinc/99/51/57/342995157.db2.gz UEDBVEBXLZBQIZ-UHFFFAOYSA-N 0 1 254.261 1.594 10 5 CDBEMN C[C@H]1CN(c2ccncc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000340868326 362209618 /nfs/dbraw/zinc/20/96/18/362209618.db2.gz LRHXOVDYXWPCTF-NSHDSACASA-N 0 1 294.355 1.271 10 5 CDBEMN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597856870 343647431 /nfs/dbraw/zinc/64/74/31/343647431.db2.gz BXFCUKUMMCNFMQ-VIFPVBQESA-N 0 1 281.312 1.790 10 5 CDBEMN CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCN(C)C1 ZINC000597945021 343675522 /nfs/dbraw/zinc/67/55/22/343675522.db2.gz GNQRCEKSCYTFBB-SECBINFHSA-N 0 1 283.353 1.823 10 5 CDBEMN C[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1CO ZINC000598649067 343857770 /nfs/dbraw/zinc/85/77/70/343857770.db2.gz UZYZMHDWNAOERZ-JQWIXIFHSA-N 0 1 280.324 1.751 10 5 CDBEMN C[C@@H]1COC[C@@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093606595 345628402 /nfs/dbraw/zinc/62/84/02/345628402.db2.gz CIWUGPIFNBAWHI-NXEZZACHSA-N 0 1 266.297 1.910 10 5 CDBEMN CC(C)CN1CCO[C@@H](CNc2ccncc2[N+](=O)[O-])C1 ZINC000066796846 350876469 /nfs/dbraw/zinc/87/64/69/350876469.db2.gz MBVLMPAPCVREHO-LBPRGKRZSA-N 0 1 294.355 1.759 10 5 CDBEMN O=[N+]([O-])c1cnccc1NCCCCN1CCOCC1 ZINC000066809152 350877021 /nfs/dbraw/zinc/87/70/21/350877021.db2.gz JMQGESRMZMCFEK-UHFFFAOYSA-N 0 1 280.328 1.514 10 5 CDBEMN C[C@@H](CNc1ccncc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000068902001 351133404 /nfs/dbraw/zinc/13/34/04/351133404.db2.gz JUIIRWBUJSPFFX-NSHDSACASA-N 0 1 279.344 1.038 10 5 CDBEMN O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H](CO)[C@H](CCO)C1 ZINC001660657595 1172251115 /nfs/dbraw/zinc/25/11/15/1172251115.db2.gz KHMWWARMTPYNJX-PWSUYJOCSA-N 0 1 298.314 1.157 10 5 CDBEMN C[C@H](F)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000339033582 359279705 /nfs/dbraw/zinc/27/97/05/359279705.db2.gz KTZIKQMSMSCGNY-ZETCQYMHSA-N 0 1 294.279 1.760 10 5 CDBEMN Cc1nc(N2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000408279761 360340605 /nfs/dbraw/zinc/34/06/05/360340605.db2.gz CCCYYNDPMPOCDT-SECBINFHSA-N 0 1 250.302 1.439 10 5 CDBEMN CC(C)[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(F)(F)F ZINC000348110021 360422072 /nfs/dbraw/zinc/42/20/72/360422072.db2.gz IPWPJGHHWPSEMF-SSDOTTSWSA-N 0 1 280.206 1.635 10 5 CDBEMN CC(=O)N1Cc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC000370216541 360974178 /nfs/dbraw/zinc/97/41/78/360974178.db2.gz RKSYKPKAXKTWKV-CHWSQXEVSA-N 0 1 289.291 1.152 10 5 CDBEMN CCc1[nH]nc(C(=O)N2CC[C@@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000408439459 361000826 /nfs/dbraw/zinc/00/08/26/361000826.db2.gz RLGGTLYMGJKXGE-WCBMZHEXSA-N 0 1 278.312 1.895 10 5 CDBEMN CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000175318447 364380808 /nfs/dbraw/zinc/38/08/08/364380808.db2.gz KUOJGQDQGROGRM-SNVBAGLBSA-N 0 1 293.323 1.372 10 5 CDBEMN COC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000066832994 374364578 /nfs/dbraw/zinc/36/45/78/374364578.db2.gz JMNAJYDSASTJRZ-GFCCVEGCSA-N 0 1 278.308 1.980 10 5 CDBEMN CCc1n[nH]c(C(=O)N[C@H]2CCCN(CC)C2)c1[N+](=O)[O-] ZINC000171804151 377051248 /nfs/dbraw/zinc/05/12/48/377051248.db2.gz ZCIPQXWDWWNDBD-VIFPVBQESA-N 0 1 295.343 1.094 10 5 CDBEMN Cc1[nH]nc(C(=O)N2C[C@H](C)O[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000438411723 249602660 /nfs/dbraw/zinc/60/26/60/249602660.db2.gz BKKYLSKCUOZROJ-XVYDVKMFSA-N 0 1 282.300 1.264 10 5 CDBEMN CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000245930742 379364862 /nfs/dbraw/zinc/36/48/62/379364862.db2.gz YJOWLRGVZYKISV-UWVGGRQHSA-N 0 1 293.327 1.017 10 5 CDBEMN O=C1NCCC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296528993 284881988 /nfs/dbraw/zinc/88/19/88/284881988.db2.gz QIGUTGQBHQMTTK-KBPBESRZSA-N 0 1 289.335 1.840 10 5 CDBEMN Nc1cc([N+](=O)[O-])ccc1NCCCc1nc[nH]n1 ZINC000080568085 177670945 /nfs/dbraw/zinc/67/09/45/177670945.db2.gz LKMLITYDFBKXPO-UHFFFAOYSA-N 0 1 262.273 1.340 10 5 CDBEMN COc1cc(CN[C@H]2C[C@@](C)(O)C2)c([N+](=O)[O-])cc1OC ZINC000418123899 392877886 /nfs/dbraw/zinc/87/78/86/392877886.db2.gz YXEDBLGNCVRNJT-WJONMLJTSA-N 0 1 296.323 1.615 10 5 CDBEMN COc1cc(CN2CC[C@@H](O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000426154766 393038431 /nfs/dbraw/zinc/03/84/31/393038431.db2.gz WWWNENJRQZYMRJ-GXFFZTMASA-N 0 1 280.324 1.806 10 5 CDBEMN C[N@@H+](CCCC(=O)[O-])CCOc1ccc([N+](=O)[O-])cc1 ZINC000430652284 393105334 /nfs/dbraw/zinc/10/53/34/393105334.db2.gz HNYWYEPBUYCAJB-UHFFFAOYSA-N 0 1 282.296 1.770 10 5 CDBEMN CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000234353696 140229379 /nfs/dbraw/zinc/22/93/79/140229379.db2.gz IARSHLIRRZIJGU-JTQLQIEISA-N 0 1 293.323 1.467 10 5 CDBEMN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000343316794 152118838 /nfs/dbraw/zinc/11/88/38/152118838.db2.gz FSJABLOCNWNFAW-VHSXEESVSA-N 0 1 272.264 1.604 10 5 CDBEMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000044621613 175219821 /nfs/dbraw/zinc/21/98/21/175219821.db2.gz QSRMXGLUDJMMKF-LLVKDONJSA-N 0 1 282.296 1.898 10 5 CDBEMN Cc1[nH]ncc1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000044747894 175243537 /nfs/dbraw/zinc/24/35/37/175243537.db2.gz LCSRNSMCHOOCCZ-UHFFFAOYSA-N 0 1 274.280 1.865 10 5 CDBEMN CCN(C)c1ccccc1CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000071883512 176289139 /nfs/dbraw/zinc/28/91/39/176289139.db2.gz UVSWUELWOYFFON-YPMHNXCESA-N 0 1 277.324 1.424 10 5 CDBEMN O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(C2CC2)CC1 ZINC000149244249 424368477 /nfs/dbraw/zinc/36/84/77/424368477.db2.gz XPQUHDCGYHUSFX-UHFFFAOYSA-N 0 1 279.296 1.498 10 5 CDBEMN CCc1nc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cs1 ZINC000153633160 289175944 /nfs/dbraw/zinc/17/59/44/289175944.db2.gz YMKTUTDSTKQFIN-UHFFFAOYSA-N 0 1 281.297 1.267 10 5 CDBEMN CCNc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](O)C1 ZINC000061711614 520330593 /nfs/dbraw/zinc/33/05/93/520330593.db2.gz IMBUXFUJFAXYMH-GFCCVEGCSA-N 0 1 265.313 1.593 10 5 CDBEMN CNc1cc(C(=O)N[C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1F 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VZPDNVAHTJASRF-DQUBFYRCSA-N 0 1 260.240 1.155 10 5 CDBEMN CCOC(=O)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001175323483 913537824 /nfs/dbraw/zinc/53/78/24/913537824.db2.gz MWQXOLUNEJFACI-AWEZNQCLSA-N 0 1 296.323 1.345 10 5 CDBEMN Cc1cc(CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc(C)c1O ZINC000839733680 905502992 /nfs/dbraw/zinc/50/29/92/905502992.db2.gz MGOPRTRQQWATLV-VXGBXAGGSA-N 0 1 278.308 1.333 10 5 CDBEMN CCc1[nH]nc(C(=O)N2CC[C@@](C)(COC)C2)c1[N+](=O)[O-] ZINC001141280713 936840276 /nfs/dbraw/zinc/84/02/76/936840276.db2.gz DGPSJBGWQRYBNZ-CYBMUJFWSA-N 0 1 296.327 1.379 10 5 CDBEMN O=C(NC1CCC2(COC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC001455176274 968644867 /nfs/dbraw/zinc/64/48/67/968644867.db2.gz IFYUKLYXHARSQT-UHFFFAOYSA-N 0 1 280.284 1.007 10 5 CDBEMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2cnc[nH]2)c1 ZINC001300694823 968847068 /nfs/dbraw/zinc/84/70/68/968847068.db2.gz XKVYJEAZGSVJQV-UHFFFAOYSA-N 0 1 290.279 1.599 10 5 CDBEMN CCc1cc(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)n[nH]1 ZINC001465017531 969838477 /nfs/dbraw/zinc/83/84/77/969838477.db2.gz GHDOOBLWJPPENX-UHFFFAOYSA-N 0 1 298.690 1.187 10 5 CDBEMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCO1 ZINC001466326302 969943532 /nfs/dbraw/zinc/94/35/32/969943532.db2.gz SPTRSOHLKAFOKO-UHFFFAOYSA-N 0 1 288.263 1.762 10 5 CDBEMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593098994 342766599 /nfs/dbraw/zinc/76/65/99/342766599.db2.gz GLNVZTZVBNSDJN-KKRWKGTOSA-N 0 1 282.321 1.006 10 5 CDBEMN CC(C)n1cnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000593784192 342839414 /nfs/dbraw/zinc/83/94/14/342839414.db2.gz JQSGAXVNWKCNOK-UHFFFAOYSA-N 0 1 291.267 1.725 10 5 CDBEMN CN1CCC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000048752045 342262886 /nfs/dbraw/zinc/26/28/86/342262886.db2.gz WNXBNZMXAWETGP-JTQLQIEISA-N 0 1 263.297 1.419 10 5 CDBEMN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744804 342953148 /nfs/dbraw/zinc/95/31/48/342953148.db2.gz QDBOIGHSUGKFPN-NXEZZACHSA-N 0 1 299.352 1.847 10 5 CDBEMN CC(C)c1ccc(CN[C@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000594964143 342990313 /nfs/dbraw/zinc/99/03/13/342990313.db2.gz OPNUOFMOHRTEBO-LBPRGKRZSA-N 0 1 277.324 1.696 10 5 CDBEMN O=[N+]([O-])c1ccc(NCCCCN2CCOCC2)cn1 ZINC000076801486 342323478 /nfs/dbraw/zinc/32/34/78/342323478.db2.gz RKELWLFKEXEEEN-UHFFFAOYSA-N 0 1 280.328 1.514 10 5 CDBEMN CO[C@@]1(CO)CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000595657659 343118741 /nfs/dbraw/zinc/11/87/41/343118741.db2.gz FEEJKJSCDOHYGX-AWEZNQCLSA-N 0 1 296.323 1.274 10 5 CDBEMN CO[C@@]1(CO)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000595657659 343118742 /nfs/dbraw/zinc/11/87/42/343118742.db2.gz FEEJKJSCDOHYGX-AWEZNQCLSA-N 0 1 296.323 1.274 10 5 CDBEMN O=[N+]([O-])c1ccc(N2CC[C@H](CN3CCOCC3)C2)cn1 ZINC000078404830 342336804 /nfs/dbraw/zinc/33/68/04/342336804.db2.gz KYPJFRPJDPRXLH-GFCCVEGCSA-N 0 1 292.339 1.148 10 5 CDBEMN CC(C)(C)N(CC(N)=O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093759150 342426209 /nfs/dbraw/zinc/42/62/09/342426209.db2.gz ZHTLNOLSSIZQQO-UHFFFAOYSA-N 0 1 281.312 1.386 10 5 CDBEMN CCC[C@@H]1C(=O)NCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093771307 342426528 /nfs/dbraw/zinc/42/65/28/342426528.db2.gz SJSOYDLSMJPOJS-CYBMUJFWSA-N 0 1 293.323 1.401 10 5 CDBEMN Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(C)(C)C)c1[N+](=O)[O-] ZINC000597858743 343647905 /nfs/dbraw/zinc/64/79/05/343647905.db2.gz OSLGXPYCTSGYEH-SECBINFHSA-N 0 1 295.343 1.229 10 5 CDBEMN CCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000597947219 343676284 /nfs/dbraw/zinc/67/62/84/343676284.db2.gz VVPSFXVGTKWVRB-JTQLQIEISA-N 0 1 293.323 1.467 10 5 CDBEMN COC(=O)[C@]1(OC)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000599562870 344084876 /nfs/dbraw/zinc/08/48/76/344084876.db2.gz JDJQOIDWDQKMSZ-AWEZNQCLSA-N 0 1 294.307 1.359 10 5 CDBEMN Cc1ccc(C(=O)N[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000604199195 344865559 /nfs/dbraw/zinc/86/55/59/344865559.db2.gz OMLYCLNCYBOVAP-LBPRGKRZSA-N 0 1 277.324 1.727 10 5 CDBEMN CC(C)(NC(=O)[C@H]1CC1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000075106218 346096066 /nfs/dbraw/zinc/09/60/66/346096066.db2.gz PUMAJQYOGKZPBU-GZMMTYOYSA-N 0 1 284.262 1.981 10 5 CDBEMN C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])C1CC1 ZINC000516932429 260298795 /nfs/dbraw/zinc/29/87/95/260298795.db2.gz NVXRVSRIYAFLBB-LBPRGKRZSA-N 0 1 264.281 1.890 10 5 CDBEMN COCOc1ccc(C(=O)OC)c(O)c1[N+](=O)[O-] ZINC000584606556 346498515 /nfs/dbraw/zinc/49/85/15/346498515.db2.gz CGFNGCOVDKAOSF-UHFFFAOYSA-N 0 1 257.198 1.070 10 5 CDBEMN CC(C)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000292675230 198371710 /nfs/dbraw/zinc/37/17/10/198371710.db2.gz CNHSJCNVIDNPIP-LLVKDONJSA-N 0 1 294.307 1.940 10 5 CDBEMN COc1c(C)cnc(CN(C)C(=O)[C@H]2CC2[N+](=O)[O-])c1C ZINC000065494083 363290662 /nfs/dbraw/zinc/29/06/62/363290662.db2.gz PKIPUXAMPBCZMY-JQWIXIFHSA-N 0 1 293.323 1.331 10 5 CDBEMN C[C@@H](NC(=O)[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000271801444 191336206 /nfs/dbraw/zinc/33/62/06/191336206.db2.gz MLCNVOZKJADXNL-ZWNOBZJWSA-N 0 1 277.324 1.866 10 5 CDBEMN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000186052864 357606641 /nfs/dbraw/zinc/60/66/41/357606641.db2.gz ODEKWSAAESVXSM-LLVKDONJSA-N 0 1 291.307 1.221 10 5 CDBEMN C[C@H](C(=O)[O-])[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263178827 358971560 /nfs/dbraw/zinc/97/15/60/358971560.db2.gz TWQXIWJIIAXAIU-SNVBAGLBSA-N 0 1 294.307 1.911 10 5 CDBEMN Cc1ccc([C@@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])o1 ZINC000159414270 359086450 /nfs/dbraw/zinc/08/64/50/359086450.db2.gz XQLWGFVKEOGGAU-SSDOTTSWSA-N 0 1 264.241 1.710 10 5 CDBEMN CCCC[N@@H+](CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338959340 359247136 /nfs/dbraw/zinc/24/71/36/359247136.db2.gz FYBPOWPHPDXVMC-UHFFFAOYSA-N 0 1 268.313 1.895 10 5 CDBEMN CCc1[nH]nc(C(=O)N2CC[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000408439458 359775784 /nfs/dbraw/zinc/77/57/84/359775784.db2.gz RLGGTLYMGJKXGE-SCZZXKLOSA-N 0 1 278.312 1.895 10 5 CDBEMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCC1 ZINC000179325495 189185789 /nfs/dbraw/zinc/18/57/89/189185789.db2.gz TWTPYRZYNDTDDZ-ZETCQYMHSA-N 0 1 252.274 1.626 10 5 CDBEMN Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](OCCO)C1 ZINC000183337453 189355404 /nfs/dbraw/zinc/35/54/04/189355404.db2.gz XXAKWQJDISREFP-HNNXBMFYSA-N 0 1 294.351 1.877 10 5 CDBEMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000275864078 193150469 /nfs/dbraw/zinc/15/04/69/193150469.db2.gz GDZMNYKKTRCOMP-UMSPYCQHSA-N 0 1 294.307 1.676 10 5 CDBEMN CC[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000121712340 368459273 /nfs/dbraw/zinc/45/92/73/368459273.db2.gz JUUYCUIGNVUTFA-SNVBAGLBSA-N 0 1 293.323 1.372 10 5 CDBEMN Nc1ccc(NCCCCN2CCOCC2)c([N+](=O)[O-])c1 ZINC000283571906 375118171 /nfs/dbraw/zinc/11/81/71/375118171.db2.gz OCTMGRUBPHSLSD-UHFFFAOYSA-N 0 1 294.355 1.701 10 5 CDBEMN Cc1cc([N+](=O)[O-])ccc1CN1CCN(CCO)[C@H](C)C1 ZINC000190236242 377571615 /nfs/dbraw/zinc/57/16/15/377571615.db2.gz YPPWUMIYJOBBKJ-CYBMUJFWSA-N 0 1 293.367 1.402 10 5 CDBEMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nn[nH]n1 ZINC000446153000 250274100 /nfs/dbraw/zinc/27/41/00/250274100.db2.gz XLTHETQKZDCFPY-UHFFFAOYSA-N 0 1 282.647 1.322 10 5 CDBEMN C[C@@H]1CN(CCO)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000449785504 251020562 /nfs/dbraw/zinc/02/05/62/251020562.db2.gz GXKFRTLBRYQODH-GFCCVEGCSA-N 0 1 279.340 1.093 10 5 CDBEMN Cc1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)n[nH]1 ZINC000450383867 251256056 /nfs/dbraw/zinc/25/60/56/251256056.db2.gz AVZWLPYPSOQAKV-JTQLQIEISA-N 0 1 288.311 1.800 10 5 CDBEMN Cc1nnc([C@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)[nH]1 ZINC000450383867 251256059 /nfs/dbraw/zinc/25/60/59/251256059.db2.gz AVZWLPYPSOQAKV-JTQLQIEISA-N 0 1 288.311 1.800 10 5 CDBEMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000173955720 285160688 /nfs/dbraw/zinc/16/06/88/285160688.db2.gz MTZKKONVLIEOLT-CQSZACIVSA-N 0 1 291.351 1.501 10 5 CDBEMN COCCN1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413119115 391159673 /nfs/dbraw/zinc/15/96/73/391159673.db2.gz MWIFOYUAKAQNMI-SNVBAGLBSA-N 0 1 298.318 1.652 10 5 CDBEMN Cc1cc(N2C[C@@H]3OCCN(C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301633809 392786445 /nfs/dbraw/zinc/78/64/45/392786445.db2.gz DJQCTLARQPZGGG-KBPBESRZSA-N 0 1 277.324 1.422 10 5 CDBEMN CCCNC(=O)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000035010918 171928157 /nfs/dbraw/zinc/92/81/57/171928157.db2.gz GAXQPQATNALTQW-JTQLQIEISA-N 0 1 265.313 1.599 10 5 CDBEMN CN[C@H](c1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000043300700 175001682 /nfs/dbraw/zinc/00/16/82/175001682.db2.gz ARXYFCDOHIXXHX-XVKPBYJWSA-N 0 1 290.366 1.352 10 5 CDBEMN N=C(N)c1cnc(Sc2ccc([N+](=O)[O-])cc2)cn1 ZINC000071180557 176056437 /nfs/dbraw/zinc/05/64/37/176056437.db2.gz VRKLJOXWCBMJBR-UHFFFAOYSA-N 0 1 275.293 1.820 10 5 CDBEMN Cc1ccc(CN[C@@H](C)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000078638935 177363839 /nfs/dbraw/zinc/36/38/39/177363839.db2.gz QCJMSAIQBNXGPO-JTQLQIEISA-N 0 1 286.353 1.426 10 5 CDBEMN CNC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000398507487 270355054 /nfs/dbraw/zinc/35/50/54/270355054.db2.gz KVNQCMACNRTAKO-SNVBAGLBSA-N 0 1 281.287 1.302 10 5 CDBEMN CN1CCN(c2ccc3[nH]c(=O)c4ccccc4c3n2)CC1 ZINC000003815859 273900138 /nfs/dbraw/zinc/90/01/38/273900138.db2.gz YRVTWLAUEOBDFG-UHFFFAOYSA-N 0 1 294.358 1.828 10 5 in-vitro CDBEMN COC(=O)C[C@@H]1NCCc2ccc([N+](=O)[O-])cc21 ZINC000095930784 273980519 /nfs/dbraw/zinc/98/05/19/273980519.db2.gz ASKLBUDTIXARPK-NSHDSACASA-N 0 1 250.254 1.345 10 5 CDBEMN COCCN1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286161701 274026709 /nfs/dbraw/zinc/02/67/09/274026709.db2.gz CEQQHGCQQXXUBG-UHFFFAOYSA-N 0 1 297.330 1.892 10 5 CDBEMN C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000229980350 279345258 /nfs/dbraw/zinc/34/52/58/279345258.db2.gz NEHPRXZAMHYUKV-SECBINFHSA-N 0 1 293.323 1.513 10 5 CDBEMN CO[C@@H](C)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564010529 316412091 /nfs/dbraw/zinc/41/20/91/316412091.db2.gz NDEHLSYFNVMBHY-NSHDSACASA-N 0 1 280.328 1.147 10 5 CDBEMN COC(=O)Cc1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000536954947 330382946 /nfs/dbraw/zinc/38/29/46/330382946.db2.gz RVBVJQVHSGRGDU-UHFFFAOYSA-N 0 1 291.263 1.098 10 5 CDBEMN CCNC(=O)[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000339328758 521744432 /nfs/dbraw/zinc/74/44/32/521744432.db2.gz KNMQQCOITBDJTB-ZDUSSCGKSA-N 0 1 295.339 1.551 10 5 CDBEMN CNc1ccc(CN(C)CCOC)cc1[N+](=O)[O-] ZINC000050817512 522607679 /nfs/dbraw/zinc/60/76/79/522607679.db2.gz YKFJPARPUADXNW-UHFFFAOYSA-N 0 1 253.302 1.715 10 5 CDBEMN C[N@H+]1CC[C@]2(CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000339211813 523995380 /nfs/dbraw/zinc/99/53/80/523995380.db2.gz JHJZXUGDHWAHGS-HNNXBMFYSA-N 0 1 291.351 1.828 10 5 CDBEMN COC(=O)[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000749676189 576957161 /nfs/dbraw/zinc/95/71/61/576957161.db2.gz LXNVBRQHRAHYAL-AAEUAGOBSA-N 0 1 294.307 1.123 10 5 CDBEMN CC1(C)C[C@@H](N[C@H]2CNOC2)c2cc([N+](=O)[O-])ccc21 ZINC000925869380 617925903 /nfs/dbraw/zinc/92/59/03/617925903.db2.gz KOCRYJHMKBQPHD-TVQRCGJNSA-N 0 1 277.324 1.810 10 5 CDBEMN O=C(NC12CCN(CC1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000913624646 630714922 /nfs/dbraw/zinc/71/49/22/630714922.db2.gz CUDIZUXJIUTLLX-UHFFFAOYSA-N 0 1 261.281 1.173 10 5 CDBEMN O=C(N[C@@H]1C[C@H]1[C@@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001640355845 1167016849 /nfs/dbraw/zinc/01/68/49/1167016849.db2.gz JVWXJQIQLWBWRR-UPJWGTAASA-N 0 1 292.291 1.598 10 5 CDBEMN CN(C)c1ccnc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC001640415238 1167022668 /nfs/dbraw/zinc/02/26/68/1167022668.db2.gz HCIARHJXMGDYCV-UHFFFAOYSA-N 0 1 289.295 1.769 10 5 CDBEMN Cc1n[nH]c(C2CN(c3ccncc3[N+](=O)[O-])C2)n1 ZINC001643182669 1167233518 /nfs/dbraw/zinc/23/35/18/1167233518.db2.gz IGTIPXFFEFYVKH-UHFFFAOYSA-N 0 1 260.257 1.020 10 5 CDBEMN Cc1nc(C2CN(c3ccncc3[N+](=O)[O-])C2)n[nH]1 ZINC001643182669 1167233525 /nfs/dbraw/zinc/23/35/25/1167233525.db2.gz IGTIPXFFEFYVKH-UHFFFAOYSA-N 0 1 260.257 1.020 10 5 CDBEMN CC(C)c1[nH]nc(C(=O)N2[C@H](C)CC[C@@H]2CO)c1[N+](=O)[O-] ZINC001643592905 1167258166 /nfs/dbraw/zinc/25/81/66/1167258166.db2.gz QCXHSCCNVJWSIN-RKDXNWHRSA-N 0 1 296.327 1.427 10 5 CDBEMN CC(C)[S@@](C)(=O)=NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001646126682 1167656705 /nfs/dbraw/zinc/65/67/05/1167656705.db2.gz UGDQQNRTGBRQGL-LJQANCHMSA-N 0 1 286.309 1.947 10 5 CDBEMN O=[N+]([O-])c1cnn(CCN2CC[C@H](c3ncccn3)C2)c1 ZINC001660357985 1172201807 /nfs/dbraw/zinc/20/18/07/1172201807.db2.gz UQVNNMBEBCWGSP-NSHDSACASA-N 0 1 288.311 1.071 10 5 CDBEMN O=C1OCC[C@@]12CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC001660693994 1172257534 /nfs/dbraw/zinc/25/75/34/1172257534.db2.gz HSWPWIIZENIICU-CQSZACIVSA-N 0 1 292.291 1.439 10 5 CDBEMN CC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000083512618 1173472800 /nfs/dbraw/zinc/47/28/00/1173472800.db2.gz XZSISQCUGCKDBF-SECBINFHSA-N 0 1 269.257 1.364 10 5 CDBEMN CC[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N)N(C)C ZINC001603045691 1175481859 /nfs/dbraw/zinc/48/18/59/1175481859.db2.gz PMLJUGQAOJOSTC-JTQLQIEISA-N 0 1 280.328 1.764 10 5 CDBEMN COc1c(C)cc(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000839622502 726017099 /nfs/dbraw/zinc/01/70/99/726017099.db2.gz CMQPLCKFDQJQNP-CHWSQXEVSA-N 0 1 292.335 1.936 10 5 CDBEMN O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000863048422 726023577 /nfs/dbraw/zinc/02/35/77/726023577.db2.gz SBJGFXQYYOPGLI-AOBWVBKOSA-N 0 1 292.722 1.760 10 5 CDBEMN O=C([O-])C12CC(C1)C[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000849344856 726023868 /nfs/dbraw/zinc/02/38/68/726023868.db2.gz REOBFEFCYKZACP-VTGPFMDVSA-N 0 1 292.291 1.177 10 5 CDBEMN Cn1cc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000839703406 726129159 /nfs/dbraw/zinc/12/91/59/726129159.db2.gz LHIJECMQWAURLP-GMTAPVOTSA-N 0 1 280.328 1.289 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCn2c(cc3ccccc32)C1 ZINC000839776352 726149755 /nfs/dbraw/zinc/14/97/55/726149755.db2.gz ZRJTUOXWAVVOOM-TZMCWYRMSA-N 0 1 285.303 1.649 10 5 CDBEMN O=C(OC[C@@H](F)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000800465464 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Cc1ncccc1[C@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851547612 732714047 /nfs/dbraw/zinc/71/40/47/732714047.db2.gz PCVRGIMVRAIGJW-JMJZKYOTSA-N 0 1 250.254 1.659 10 5 CDBEMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774632 732894253 /nfs/dbraw/zinc/89/42/53/732894253.db2.gz FPTQJPNSDLWSRH-GXSJLCMTSA-N 0 1 295.314 1.820 10 5 CDBEMN CC(=O)N(C)c1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839686335 732900072 /nfs/dbraw/zinc/90/00/72/732900072.db2.gz MKBRQGLDFFBXGI-BXKDBHETSA-N 0 1 277.280 1.273 10 5 CDBEMN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C1N=NC(=O)N1C ZINC001640102262 1166994978 /nfs/dbraw/zinc/99/49/78/1166994978.db2.gz TVLYHTVQLQMEDT-ZCFIWIBFSA-N 0 1 281.247 1.741 10 5 CDBEMN COc1ccccc1C[C@H](C)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001270910422 905437965 /nfs/dbraw/zinc/43/79/65/905437965.db2.gz MVYBAAYREGDBKP-MVWJERBFSA-N 0 1 278.308 1.408 10 5 CDBEMN C[C@@H](NC1CC(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000716119201 910111141 /nfs/dbraw/zinc/11/11/41/910111141.db2.gz BYURUNLUKWUBME-CBZQXFMTSA-N 0 1 298.364 1.821 10 5 CDBEMN Nc1cc(CCCCNc2ncc([N+](=O)[O-])cn2)ccn1 ZINC001187739771 920640394 /nfs/dbraw/zinc/64/03/94/920640394.db2.gz IULNFKMQCVCXKQ-UHFFFAOYSA-N 0 1 288.311 1.797 10 5 CDBEMN Nc1c(C(=O)Nc2cccc3[nH]nnc32)cccc1[N+](=O)[O-] ZINC001141212428 936829890 /nfs/dbraw/zinc/82/98/90/936829890.db2.gz LGFQSWMRUOJKQI-UHFFFAOYSA-N 0 1 298.262 1.701 10 5 CDBEMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H]1c1nnc[nH]1 ZINC001148400413 932706544 /nfs/dbraw/zinc/70/65/44/932706544.db2.gz MTMOXDMNBDRUOH-JTQLQIEISA-N 0 1 288.267 1.085 10 5 CDBEMN C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC[N@H+]1C ZINC000719336838 934849453 /nfs/dbraw/zinc/84/94/53/934849453.db2.gz HVCUHPOXYOUSFN-SCZZXKLOSA-N 0 1 279.296 1.123 10 5 CDBEMN CC[C@@H](O)[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001163910995 939349167 /nfs/dbraw/zinc/34/91/67/939349167.db2.gz VDGAMYPQZLHTHZ-NXEZZACHSA-N 0 1 296.327 1.392 10 5 CDBEMN Cc1cc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2[nH]c1=O ZINC001298360284 955177932 /nfs/dbraw/zinc/17/79/32/955177932.db2.gz VIIRDNWZRCQWDQ-ZYHUDNBSSA-N 0 1 287.275 1.440 10 5 CDBEMN C[C@@H](CC(N)=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001439697500 963839134 /nfs/dbraw/zinc/83/91/34/963839134.db2.gz XYVHPZRAXDKZFR-XXILOJSOSA-N 0 1 291.307 1.269 10 5 CDBEMN CN(Cc1cnc[nH]1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC001557465952 965177729 /nfs/dbraw/zinc/17/77/29/965177729.db2.gz SFXLRLCYQPCSCM-UHFFFAOYSA-N 0 1 250.214 1.183 10 5 CDBEMN C[C@@H](COC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCOCC1 ZINC001349749110 966455951 /nfs/dbraw/zinc/45/59/51/966455951.db2.gz DZFNQUUBTMCSLX-JMJZKYOTSA-N 0 1 257.286 1.258 10 5 CDBEMN Cc1c(NC(=O)CCc2c[nH]nn2)cccc1[N+](=O)[O-] ZINC001538509343 967060970 /nfs/dbraw/zinc/06/09/70/967060970.db2.gz KAANAPQBEQXAHH-UHFFFAOYSA-N 0 1 275.268 1.593 10 5 CDBEMN Cc1c(NC(=O)CCc2cnn[nH]2)cccc1[N+](=O)[O-] ZINC001538509343 967060980 /nfs/dbraw/zinc/06/09/80/967060980.db2.gz KAANAPQBEQXAHH-UHFFFAOYSA-N 0 1 275.268 1.593 10 5 CDBEMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000600675307 342241254 /nfs/dbraw/zinc/24/12/54/342241254.db2.gz LRMGUYXIYWIEPS-ZDUSSCGKSA-N 0 1 280.280 1.270 10 5 CDBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CC=CCC1 ZINC000594752897 342954294 /nfs/dbraw/zinc/95/42/94/342954294.db2.gz VJWOHODQEBCNRI-SNVBAGLBSA-N 0 1 297.336 1.624 10 5 CDBEMN CCN1CC[C@@H](NC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601628840 344214796 /nfs/dbraw/zinc/21/47/96/344214796.db2.gz PYYAVLFOISCOLW-SECBINFHSA-N 0 1 281.287 1.558 10 5 CDBEMN O=C(N[C@H]1CC2CCC1CC2)c1n[nH]cc1[N+](=O)[O-] ZINC000344176406 362547803 /nfs/dbraw/zinc/54/78/03/362547803.db2.gz RWDAEXUNLSIPQB-HACHORDNSA-N 0 1 264.285 1.626 10 5 CDBEMN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CCN2CCO[C@H]1C2 ZINC000295122833 199356496 /nfs/dbraw/zinc/35/64/96/199356496.db2.gz NNIKGAPZJSRNOL-GJZGRUSLSA-N 0 1 291.351 1.500 10 5 CDBEMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C)C2)c1 ZINC000610239966 346227089 /nfs/dbraw/zinc/22/70/89/346227089.db2.gz OLVSMWRVMXZTJV-LLVKDONJSA-N 0 1 277.324 1.727 10 5 CDBEMN CCN1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000611084721 346604124 /nfs/dbraw/zinc/60/41/24/346604124.db2.gz NWMNGHYAKCLCCA-JTQLQIEISA-N 0 1 250.302 1.520 10 5 CDBEMN O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](C(F)F)C1 ZINC000611185631 346633925 /nfs/dbraw/zinc/63/39/25/346633925.db2.gz IOFANYKQCOIYOE-SECBINFHSA-N 0 1 287.266 1.344 10 5 CDBEMN COC[C@](C)(CO)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000611479901 346798025 /nfs/dbraw/zinc/79/80/25/346798025.db2.gz WHHMJLNBWDGKCK-ZDUSSCGKSA-N 0 1 268.313 1.390 10 5 CDBEMN COC(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000107822010 186193680 /nfs/dbraw/zinc/19/36/80/186193680.db2.gz YBUUGIQEFHNCOK-NSHDSACASA-N 0 1 264.281 1.590 10 5 CDBEMN CCn1c(CN)nnc1Sc1ncc(C)cc1[N+](=O)[O-] ZINC000079063525 351343667 /nfs/dbraw/zinc/34/36/67/351343667.db2.gz WNVBAYCBHVDLFF-UHFFFAOYSA-N 0 1 294.340 1.520 10 5 CDBEMN CC[C@@H](O)CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000118857677 357041644 /nfs/dbraw/zinc/04/16/44/357041644.db2.gz LPGSWJALBLPRPT-CQSZACIVSA-N 0 1 293.367 1.483 10 5 CDBEMN C[C@@H](NCc1ccnn1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283888058 357607531 /nfs/dbraw/zinc/60/75/31/357607531.db2.gz CKRGCQKQRFJMSJ-SECBINFHSA-N 0 1 275.312 1.761 10 5 CDBEMN C[C@@H]1CC[C@](CO)(NCC[N+](=O)[O-])c2ccccc21 ZINC001660638296 1172245161 /nfs/dbraw/zinc/24/51/61/1172245161.db2.gz ZFQHHFLIDXYLTG-BXUZGUMPSA-N 0 1 264.325 1.638 10 5 CDBEMN O=[N+]([O-])CCN1CCC[C@]1(CO)c1ccccc1 ZINC001660658582 1172252757 /nfs/dbraw/zinc/25/27/57/1172252757.db2.gz UBDODDNYXMQLBW-ZDUSSCGKSA-N 0 1 250.298 1.247 10 5 CDBEMN O=C(N[C@@H]1CCC[C@H](CO)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000298281938 200381612 /nfs/dbraw/zinc/38/16/12/200381612.db2.gz LYRZAZHKVHNVJY-GXSJLCMTSA-N 0 1 294.307 1.581 10 5 CDBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1CO ZINC000249363926 364576046 /nfs/dbraw/zinc/57/60/46/364576046.db2.gz UFHRCXSHZZEHCU-JIMOISOXSA-N 0 1 266.297 1.083 10 5 CDBEMN Cc1cc(C[C@@H](C)Nc2ncc([N+](=O)[O-])c(N)n2)[nH]n1 ZINC000133496901 375790225 /nfs/dbraw/zinc/79/02/25/375790225.db2.gz HTARCRGOHQFWRN-ZCFIWIBFSA-N 0 1 277.288 1.042 10 5 CDBEMN Cc1nc(N[C@H]2CCc3[nH]cnc3C2)ncc1[N+](=O)[O-] ZINC000450530591 251326018 /nfs/dbraw/zinc/32/60/18/251326018.db2.gz DKUVOTANVARJKI-QMMMGPOBSA-N 0 1 274.284 1.386 10 5 CDBEMN C[C@@H]1NC(=O)CC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000281516390 195270938 /nfs/dbraw/zinc/27/09/38/195270938.db2.gz AJZDKVCZOBIXTF-IONNQARKSA-N 0 1 269.326 1.413 10 5 CDBEMN Cc1nc([C@@H]2CCN(c3ccncc3[N+](=O)[O-])C2)n[nH]1 ZINC000413547030 391238929 /nfs/dbraw/zinc/23/89/29/391238929.db2.gz FZORBSOGQKEJDK-SECBINFHSA-N 0 1 274.284 1.410 10 5 CDBEMN Cc1nnc([C@@H]2CCN(c3ccncc3[N+](=O)[O-])C2)[nH]1 ZINC000413547030 391238932 /nfs/dbraw/zinc/23/89/32/391238932.db2.gz FZORBSOGQKEJDK-SECBINFHSA-N 0 1 274.284 1.410 10 5 CDBEMN Cc1nc([C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)n[nH]1 ZINC000413557060 391240297 /nfs/dbraw/zinc/24/02/97/391240297.db2.gz UICBSOWZCXOKEC-SECBINFHSA-N 0 1 274.284 1.410 10 5 CDBEMN Cc1nnc([C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)[nH]1 ZINC000413557060 391240300 /nfs/dbraw/zinc/24/03/00/391240300.db2.gz UICBSOWZCXOKEC-SECBINFHSA-N 0 1 274.284 1.410 10 5 CDBEMN COc1ccc(CN(C)CCCO)cc1[N+](=O)[O-] ZINC000263765622 131325845 /nfs/dbraw/zinc/32/58/45/131325845.db2.gz BNBDOBNSSLCGHH-UHFFFAOYSA-N 0 1 254.286 1.418 10 5 CDBEMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@](O)(CO)C1 ZINC000459645581 392495810 /nfs/dbraw/zinc/49/58/10/392495810.db2.gz LPKVVLYTBANGRW-BXUZGUMPSA-N 0 1 280.324 1.475 10 5 CDBEMN CN1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000301689442 392852418 /nfs/dbraw/zinc/85/24/18/392852418.db2.gz YCVZCAXAIKMGNX-OLZOCXBDSA-N 0 1 297.742 1.767 10 5 CDBEMN Cc1cc(C[C@H](C)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])n[nH]1 ZINC000269039031 132101998 /nfs/dbraw/zinc/10/19/98/132101998.db2.gz JYGKZUUZCHQIKO-LURJTMIESA-N 0 1 292.299 1.019 10 5 CDBEMN O=C(NCC[C@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346089297 153048868 /nfs/dbraw/zinc/04/88/68/153048868.db2.gz OWBBDSRESZYWJU-VIFPVBQESA-N 0 1 280.280 1.457 10 5 CDBEMN C[C@@H](N[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000020133339 171021016 /nfs/dbraw/zinc/02/10/16/171021016.db2.gz OYUFTMCNUOBNBF-MWLCHTKSSA-N 0 1 284.337 1.433 10 5 CDBEMN CN[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000043300459 175001002 /nfs/dbraw/zinc/00/10/02/175001002.db2.gz BBHKVDONSQYMAD-CABZTGNLSA-N 0 1 284.337 1.290 10 5 CDBEMN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)N(CCO)C[C@H]2C)c1 ZINC000418994332 281014732 /nfs/dbraw/zinc/01/47/32/281014732.db2.gz BMQUUTJZMLMGLH-QWHCGFSZSA-N 0 1 293.367 1.795 10 5 CDBEMN CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C)CC2)c1 ZINC000050711723 522638369 /nfs/dbraw/zinc/63/83/69/522638369.db2.gz SLJCUENIDGOUQZ-UHFFFAOYSA-N 0 1 292.339 1.414 10 5 CDBEMN CNc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C)C2)c1 ZINC000050786356 522640170 /nfs/dbraw/zinc/64/01/70/522640170.db2.gz WPXXCEGKGDMZDY-SNVBAGLBSA-N 0 1 278.312 1.070 10 5 CDBEMN CNc1ccc([N+](=O)[O-])cc1CN1CCN(C2CC2)CC1 ZINC000050817955 522647498 /nfs/dbraw/zinc/64/74/98/522647498.db2.gz WVVMAJAAAWWJKS-UHFFFAOYSA-N 0 1 290.367 1.917 10 5 CDBEMN Cc1ccc(N2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000061701374 524963200 /nfs/dbraw/zinc/96/32/00/524963200.db2.gz CEXOQSPRMFVFJS-UHFFFAOYSA-N 0 1 265.313 1.018 10 5 CDBEMN Cc1nc(Sc2ccc([N+](=O)[O-])cc2N)n[nH]1 ZINC000052841905 526533771 /nfs/dbraw/zinc/53/37/71/526533771.db2.gz VALGFPWFLCXJCS-UHFFFAOYSA-N 0 1 251.271 1.755 10 5 CDBEMN Cc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2N)n1 ZINC000052841905 526533776 /nfs/dbraw/zinc/53/37/76/526533776.db2.gz VALGFPWFLCXJCS-UHFFFAOYSA-N 0 1 251.271 1.755 10 5 CDBEMN CN(c1nc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cs1)C1CC1 ZINC000840670856 618405244 /nfs/dbraw/zinc/40/52/44/618405244.db2.gz LCPBAPWOWLFUDK-NXEZZACHSA-N 0 1 297.336 1.450 10 5 CDBEMN CN(C)C1(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC000911473708 629293722 /nfs/dbraw/zinc/29/37/22/629293722.db2.gz GRYZKQFBNZUMQY-UHFFFAOYSA-N 0 1 299.277 1.583 10 5 CDBEMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CCC2)C1 ZINC000912916518 630285583 /nfs/dbraw/zinc/28/55/83/630285583.db2.gz YIUGOOMPFLOIJL-AWEZNQCLSA-N 0 1 289.335 1.444 10 5 CDBEMN Cc1c(C(=O)NC23CCN(CC2)C3)cccc1[N+](=O)[O-] ZINC000913624638 630714990 /nfs/dbraw/zinc/71/49/90/630714990.db2.gz CQAHCUBLFMGYLM-UHFFFAOYSA-N 0 1 275.308 1.481 10 5 CDBEMN C[C@H]1[C@H](CO)CCN1Cc1cccnc1[N+](=O)[O-] ZINC001617582731 1165601042 /nfs/dbraw/zinc/60/10/42/1165601042.db2.gz NNJLUXKDJZWYDK-ONGXEEELSA-N 0 1 251.286 1.193 10 5 CDBEMN CCN1CC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001643510202 1167253417 /nfs/dbraw/zinc/25/34/17/1167253417.db2.gz BRVLVXIGHNGZPI-JTQLQIEISA-N 0 1 292.339 1.309 10 5 CDBEMN Cc1[nH]c(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c(C)[nH+]1 ZINC001645070566 1167363143 /nfs/dbraw/zinc/36/31/43/1167363143.db2.gz YIRAHHFCICCOLI-UHFFFAOYSA-N 0 1 290.279 1.570 10 5 CDBEMN CC(C)c1[nH]nc(C(=O)N2CCCC(=O)[C@H]2C)c1[N+](=O)[O-] ZINC001648186274 1169105422 /nfs/dbraw/zinc/10/54/22/1169105422.db2.gz GYTCZAHDZMUOMF-MRVPVSSYSA-N 0 1 294.311 1.635 10 5 CDBEMN O=[N+]([O-])c1cnn(CCN2CC[C@@H](c3ncccn3)C2)c1 ZINC001660357983 1172203058 /nfs/dbraw/zinc/20/30/58/1172203058.db2.gz UQVNNMBEBCWGSP-LLVKDONJSA-N 0 1 288.311 1.071 10 5 CDBEMN CCN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CC(C)C ZINC001720603215 1181216817 /nfs/dbraw/zinc/21/68/17/1181216817.db2.gz KMSOVDYTZKCJKX-VXGBXAGGSA-N 0 1 299.371 1.053 10 5 CDBEMN O=C(NC12CCN(CC1)C2)c1cc(F)ccc1[N+](=O)[O-] ZINC000715583966 735994283 /nfs/dbraw/zinc/99/42/83/735994283.db2.gz CVURBYNAXFDTOW-UHFFFAOYSA-N 0 1 279.271 1.312 10 5 CDBEMN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)CCN1C ZINC000928459016 733333856 /nfs/dbraw/zinc/33/38/56/733333856.db2.gz ZRVKQBCOHYHYCQ-HTQZYQBOSA-N 0 1 253.258 1.010 10 5 CDBEMN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1CCO ZINC000842047699 733404597 /nfs/dbraw/zinc/40/45/97/733404597.db2.gz TUNPDGDWSNRELU-VXGBXAGGSA-N 0 1 279.340 1.486 10 5 CDBEMN C[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1CO ZINC000189726093 733839602 /nfs/dbraw/zinc/83/96/02/733839602.db2.gz PKYLOFOIRHWWLR-TVQRCGJNSA-N 0 1 268.288 1.937 10 5 CDBEMN CO[C@@](C)(CO)CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000702544674 733976701 /nfs/dbraw/zinc/97/67/01/733976701.db2.gz UNCVOWZQSSINOH-GFCCVEGCSA-N 0 1 288.731 1.735 10 5 CDBEMN CNC(=O)C[C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872075232 734019617 /nfs/dbraw/zinc/01/96/17/734019617.db2.gz ASSUWMQATIVWJG-RKDXNWHRSA-N 0 1 283.303 1.909 10 5 CDBEMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1c[nH]nn1 ZINC000804531192 734206148 /nfs/dbraw/zinc/20/61/48/734206148.db2.gz SYKRUPGEEVMPSN-UHFFFAOYSA-N 0 1 264.201 1.233 10 5 CDBEMN CC(C)(NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000871172834 734335796 /nfs/dbraw/zinc/33/57/96/734335796.db2.gz ZDIAGUHEOJVWES-BBBLOLIVSA-N 0 1 256.302 1.116 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC(c2ccc(Cl)cc2)C1 ZINC000839785104 734364116 /nfs/dbraw/zinc/36/41/16/734364116.db2.gz KUCDHTCRKXJYCK-VXGBXAGGSA-N 0 1 280.711 1.931 10 5 CDBEMN Cc1[nH]nc(C(=O)N2CC(C)(C)[C@H]3COC[C@H]32)c1[N+](=O)[O-] ZINC001626355585 1165931852 /nfs/dbraw/zinc/93/18/52/1165931852.db2.gz ZFURWYBOAKFPQE-DTWKUNHWSA-N 0 1 294.311 1.123 10 5 CDBEMN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C1N=NC(=O)N1C ZINC001458465927 1167741654 /nfs/dbraw/zinc/74/16/54/1167741654.db2.gz VJHBKLDIBFYHFY-ZETCQYMHSA-N 0 1 278.272 1.305 10 5 CDBEMN O=[N+]([O-])c1ccc(CN2C[C@H](CCO)[C@H](CO)C2)cc1F ZINC001176965249 914403367 /nfs/dbraw/zinc/40/33/67/914403367.db2.gz KFCSVVHTEXMOQU-RYUDHWBXSA-N 0 1 298.314 1.157 10 5 CDBEMN O=C(NCC[C@H]1CCCS1)c1n[nH]cc1[N+](=O)[O-] ZINC001168782762 927404589 /nfs/dbraw/zinc/40/45/89/927404589.db2.gz AHRPEBOIICKNNS-SSDOTTSWSA-N 0 1 270.314 1.333 10 5 CDBEMN O=C(Nc1c[nH]nn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000819489156 930809575 /nfs/dbraw/zinc/80/95/75/930809575.db2.gz UGTLYPQAIICCHI-UHFFFAOYSA-N 0 1 299.250 1.151 10 5 CDBEMN C[C@@H](NCC[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000930186871 933332576 /nfs/dbraw/zinc/33/25/76/933332576.db2.gz ZCTZTSRFLPAPCW-SNVBAGLBSA-N 0 1 261.285 1.195 10 5 CDBEMN Nc1c(Cl)cc(C(=O)NCc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000088752879 940307856 /nfs/dbraw/zinc/30/78/56/940307856.db2.gz AFXYYNPECOCVQZ-UHFFFAOYSA-N 0 1 295.686 1.484 10 5 CDBEMN Cc1noc(CNC2(CC(N)=O)CCCCC2)c1[N+](=O)[O-] ZINC001473869198 970872891 /nfs/dbraw/zinc/87/28/91/970872891.db2.gz VHLMDQRBXIXWNK-UHFFFAOYSA-N 0 1 296.327 1.559 10 5 CDBEMN CCc1nc(CNc2c(C)cncc2[N+](=O)[O-])n[nH]1 ZINC001261261824 946023675 /nfs/dbraw/zinc/02/36/75/946023675.db2.gz CHSHIKAJUJFDLB-UHFFFAOYSA-N 0 1 262.273 1.013 10 5 CDBEMN CCC(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001323369672 960683183 /nfs/dbraw/zinc/68/31/83/960683183.db2.gz BTMCHBGECHJNCA-UHFFFAOYSA-N 0 1 277.324 1.743 10 5 CDBEMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1c(O)cccc1Cl ZINC001450261883 967665484 /nfs/dbraw/zinc/66/54/84/967665484.db2.gz NKIFSFGENNOWMA-UHFFFAOYSA-N 0 1 296.670 1.940 10 5 CDBEMN O=C(NC1(CO)CCCCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC001454937400 968570624 /nfs/dbraw/zinc/57/06/24/968570624.db2.gz ADRKTZFXUFOPJM-UHFFFAOYSA-N 0 1 296.327 1.523 10 5 CDBEMN CC[C@H](CO)NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001460791645 969546816 /nfs/dbraw/zinc/54/68/16/969546816.db2.gz JZGQNANFGFDLTP-LLVKDONJSA-N 0 1 282.296 1.242 10 5 CDBEMN CN(C)c1ccnc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC001471891302 970512471 /nfs/dbraw/zinc/51/24/71/970512471.db2.gz KXELZLUSJFTZDG-UHFFFAOYSA-N 0 1 289.295 1.314 10 5 CDBEMN Cc1nn(CCc2c[nH]nn2)c2ncc([N+](=O)[O-])cc12 ZINC001472996369 970740167 /nfs/dbraw/zinc/74/01/67/970740167.db2.gz XSRAEBHLDREMJG-UHFFFAOYSA-N 0 1 273.256 1.009 10 5 CDBEMN Cc1[nH]ncc1CN(C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601181296 342487734 /nfs/dbraw/zinc/48/77/34/342487734.db2.gz IYINUJIKNYTXCT-UHFFFAOYSA-N 0 1 265.248 1.797 10 5 CDBEMN CN(C)C(=O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000015297448 342035559 /nfs/dbraw/zinc/03/55/59/342035559.db2.gz XOLOMZWNEPKFKF-UHFFFAOYSA-N 0 1 291.351 1.895 10 5 CDBEMN COC(=O)Cc1ccc(NCc2c[nH]nn2)c([N+](=O)[O-])c1 ZINC000590691964 342583158 /nfs/dbraw/zinc/58/31/58/342583158.db2.gz ZZXGELZAXZCCHN-UHFFFAOYSA-N 0 1 291.267 1.041 10 5 CDBEMN O=[N+]([O-])c1cnccc1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000609132344 342091435 /nfs/dbraw/zinc/09/14/35/342091435.db2.gz HMBOQUNXJVGIJH-GXTWGEPZSA-N 0 1 292.339 1.025 10 5 CDBEMN COc1cc(CN[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000591641975 342640227 /nfs/dbraw/zinc/64/02/27/342640227.db2.gz REQLTUCHMVMUGQ-SNVBAGLBSA-N 0 1 282.296 1.491 10 5 CDBEMN CN1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593459974 342803061 /nfs/dbraw/zinc/80/30/61/342803061.db2.gz XXEMUXNNPJJKKM-UHFFFAOYSA-N 0 1 272.308 1.895 10 5 CDBEMN C[C@H]1CC[C@@H](CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594772824 342956159 /nfs/dbraw/zinc/95/61/59/342956159.db2.gz NUAZUJAOGXVOMG-VHSXEESVSA-N 0 1 299.352 1.704 10 5 CDBEMN COCc1nc(CNc2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000596435268 343320668 /nfs/dbraw/zinc/32/06/68/343320668.db2.gz CBXAQDXJERTFDI-UHFFFAOYSA-N 0 1 295.274 1.919 10 5 CDBEMN COCc1nnc(CNc2cc(C)c([N+](=O)[O-])cc2F)[nH]1 ZINC000596435268 343320669 /nfs/dbraw/zinc/32/06/69/343320669.db2.gz CBXAQDXJERTFDI-UHFFFAOYSA-N 0 1 295.274 1.919 10 5 CDBEMN CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597943880 343674694 /nfs/dbraw/zinc/67/46/94/343674694.db2.gz AEUGVFGDGZQRCJ-LLVKDONJSA-N 0 1 293.323 1.467 10 5 CDBEMN C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000598649069 343857830 /nfs/dbraw/zinc/85/78/30/343857830.db2.gz UZYZMHDWNAOERZ-ZYHUDNBSSA-N 0 1 280.324 1.751 10 5 CDBEMN O=C(N[C@@H]1CCCC(F)(F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000344153175 362546443 /nfs/dbraw/zinc/54/64/43/362546443.db2.gz QZWHKUJPBXCCHT-ZCFIWIBFSA-N 0 1 274.227 1.626 10 5 CDBEMN COc1cccc(C(=O)N[C@@H]2CCCN(C)C2)c1[N+](=O)[O-] ZINC000618208154 349402758 /nfs/dbraw/zinc/40/27/58/349402758.db2.gz DWOFCAKASKKREK-SNVBAGLBSA-N 0 1 293.323 1.427 10 5 CDBEMN CN1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000196519370 358499078 /nfs/dbraw/zinc/49/90/78/358499078.db2.gz MPBOTTCFOZFCRZ-UHFFFAOYSA-N 0 1 275.312 1.149 10 5 CDBEMN Cc1cc([N+](=O)[O-])cnc1NCCCCN1CCOCC1 ZINC000264459180 357318302 /nfs/dbraw/zinc/31/83/02/357318302.db2.gz JWDDFTNZFKRPBI-UHFFFAOYSA-N 0 1 294.355 1.823 10 5 CDBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408189431 358330708 /nfs/dbraw/zinc/33/07/08/358330708.db2.gz ODZBPZXNLLBXTK-CKLFPEKLSA-N 0 1 292.291 1.143 10 5 CDBEMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2O)n1 ZINC000436766153 359838186 /nfs/dbraw/zinc/83/81/86/359838186.db2.gz RBXZBMUASLPBJR-UHFFFAOYSA-N 0 1 280.215 1.425 10 5 CDBEMN Cc1nc(N2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000408279762 360340526 /nfs/dbraw/zinc/34/05/26/360340526.db2.gz CCCYYNDPMPOCDT-VIFPVBQESA-N 0 1 250.302 1.439 10 5 CDBEMN CCc1[nH]nc(C(=O)N2CC[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000408439460 361000701 /nfs/dbraw/zinc/00/07/01/361000701.db2.gz RLGGTLYMGJKXGE-WPRPVWTQSA-N 0 1 278.312 1.895 10 5 CDBEMN O=C(Nc1ccc2c(c1)OCCCO2)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000047250199 412764410 /nfs/dbraw/zinc/76/44/10/412764410.db2.gz XPAAFYVFCBXOLE-VHSXEESVSA-N 0 1 278.264 1.452 10 5 CDBEMN O=[N+]([O-])c1cc(F)cnc1Nc1cc2n(n1)CCCC2 ZINC000601163100 375392914 /nfs/dbraw/zinc/39/29/14/375392914.db2.gz CXTONZUJWNDRHZ-UHFFFAOYSA-N 0 1 277.259 1.827 10 5 CDBEMN CN(Cc1cc[nH]n1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356582203 375852803 /nfs/dbraw/zinc/85/28/03/375852803.db2.gz SJTVYDYBBPVKMK-UHFFFAOYSA-N 0 1 276.252 1.296 10 5 CDBEMN C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595279495 392554630 /nfs/dbraw/zinc/55/46/30/392554630.db2.gz RPMYKUMJAOYXMU-KLPPZKSPSA-N 0 1 264.281 1.890 10 5 CDBEMN CC(=O)N[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000421387567 392933600 /nfs/dbraw/zinc/93/36/00/392933600.db2.gz IYOKPVJYHNTIOB-CYBMUJFWSA-N 0 1 277.324 1.614 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000374645550 160303455 /nfs/dbraw/zinc/30/34/55/160303455.db2.gz JHPSYZLXTBRVTJ-YNEHKIRRSA-N 0 1 275.308 1.138 10 5 CDBEMN CCNc1ncnc(NCCN2CCCCC2)c1[N+](=O)[O-] ZINC000040596213 174349026 /nfs/dbraw/zinc/34/90/26/174349026.db2.gz ZYSDYRSWYVLQTD-UHFFFAOYSA-N 0 1 294.359 1.714 10 5 CDBEMN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1nn[nH]n1 ZINC000044931470 175280000 /nfs/dbraw/zinc/28/00/00/175280000.db2.gz WDWNNCQKVAHFEE-YFKPBYRVSA-N 0 1 252.209 1.420 10 5 CDBEMN Cn1ccnc1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000071273576 176105791 /nfs/dbraw/zinc/10/57/91/176105791.db2.gz KVJMYWNCQFJFPB-UHFFFAOYSA-N 0 1 276.296 1.497 10 5 CDBEMN COCCN1CCCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000268859086 274026962 /nfs/dbraw/zinc/02/69/62/274026962.db2.gz BQLYELDRCRTSAE-UHFFFAOYSA-N 0 1 294.355 1.457 10 5 CDBEMN O=C1NCC[C@H]1N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542833 275023836 /nfs/dbraw/zinc/02/38/36/275023836.db2.gz AJNZBSFCMYSEPP-GXTWGEPZSA-N 0 1 289.335 1.663 10 5 CDBEMN O=C(NCCC1CC(F)(F)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001625992075 1160691629 /nfs/dbraw/zinc/69/16/29/1160691629.db2.gz KXOKIMPJIIQIMX-UHFFFAOYSA-N 0 1 274.227 1.483 10 5 CDBEMN CCNc1ccc(CN2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000050816604 520302622 /nfs/dbraw/zinc/30/26/22/520302622.db2.gz OKHOTEWUFCRFMS-GFCCVEGCSA-N 0 1 279.340 1.983 10 5 CDBEMN CNCc1nccn1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051004421 522154744 /nfs/dbraw/zinc/15/47/44/522154744.db2.gz JZOFKVVUOBOJMY-UHFFFAOYSA-N 0 1 276.296 1.568 10 5 CDBEMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2CCCO)o1 ZINC000052762010 527348644 /nfs/dbraw/zinc/34/86/44/527348644.db2.gz XXGCWJRRHFGHEK-JTQLQIEISA-N 0 1 254.286 1.925 10 5 CDBEMN CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000269388856 535318943 /nfs/dbraw/zinc/31/89/43/535318943.db2.gz LGQRNWZEQAKGFY-SECBINFHSA-N 0 1 296.327 1.692 10 5 CDBEMN CCN(CCNC(=O)C(C)(C)CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001688420435 1174955263 /nfs/dbraw/zinc/95/52/63/1174955263.db2.gz MFSNMRJZNDVTJV-GHMZBOCLSA-N 0 1 299.371 1.053 10 5 CDBEMN CC(C)CN1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001645307880 1167389054 /nfs/dbraw/zinc/38/90/54/1167389054.db2.gz GJECBNPUPSOPBU-SECBINFHSA-N 0 1 281.316 1.377 10 5 CDBEMN CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nn[nH]n1 ZINC001587339701 1172981222 /nfs/dbraw/zinc/98/12/22/1172981222.db2.gz OJTQQKRZYUXUIK-UHFFFAOYSA-N 0 1 282.647 1.038 10 5 CDBEMN CCC(C)(CC)C(=O)NCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001721085485 1181296832 /nfs/dbraw/zinc/29/68/32/1181296832.db2.gz CNAXHLXFYFRDMI-GHMZBOCLSA-N 0 1 299.371 1.053 10 5 CDBEMN O=C(c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000854839540 736744753 /nfs/dbraw/zinc/74/47/53/736744753.db2.gz FYZIGIMFCOMLHS-JHJVBQTASA-N 0 1 288.303 1.526 10 5 CDBEMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000854563317 737070907 /nfs/dbraw/zinc/07/09/07/737070907.db2.gz JZCGBYSRNBMYAG-ZRJCITRHSA-N 0 1 292.335 1.622 10 5 CDBEMN C[N@H+]1CCC[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000865185599 737925682 /nfs/dbraw/zinc/92/56/82/737925682.db2.gz YNYMKLWYNPJDKD-LLVKDONJSA-N 0 1 295.314 1.487 10 5 CDBEMN CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000812879998 738063012 /nfs/dbraw/zinc/06/30/12/738063012.db2.gz YJCHOZNUTRKIPV-ZIAGYGMSSA-N 0 1 280.324 1.739 10 5 CDBEMN CC(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000848251730 738581744 /nfs/dbraw/zinc/58/17/44/738581744.db2.gz OKEMQXLBSLYWGZ-UTUOFQBUSA-N 0 1 282.340 1.121 10 5 CDBEMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171573752 738844951 /nfs/dbraw/zinc/84/49/51/738844951.db2.gz QWRDZBORAORIEX-VHSXEESVSA-N 0 1 295.314 1.820 10 5 CDBEMN Cc1nc([C@H](C)OC(=O)c2cc([N+](=O)[O-])cnc2C)n[nH]1 ZINC000840194906 738891646 /nfs/dbraw/zinc/89/16/46/738891646.db2.gz XIFHKFUNSCTQLX-ZETCQYMHSA-N 0 1 291.267 1.643 10 5 CDBEMN O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)[C@@H]1CC1[N+](=O)[O-] ZINC000830443158 739154410 /nfs/dbraw/zinc/15/44/10/739154410.db2.gz OAIOFJJFIMHFOV-BGZDPUMWSA-N 0 1 296.245 1.268 10 5 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CCc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000534982716 282215543 /nfs/dbraw/zinc/21/55/43/282215543.db2.gz XFCYBPSMDBFNPI-ZETCQYMHSA-N 0 1 290.283 1.161 10 5 CDBEMN Cc1cc([N+](=O)[O-])cnc1N1CCCc2[nH]ncc2C1 ZINC000596002887 343207123 /nfs/dbraw/zinc/20/71/23/343207123.db2.gz LCRAOLHHBZTPFC-UHFFFAOYSA-N 0 1 273.296 1.974 10 5 CDBEMN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC1CN(C)C1 ZINC000598162069 343722039 /nfs/dbraw/zinc/72/20/39/343722039.db2.gz SKMRDYKUVOCCDK-UHFFFAOYSA-N 0 1 277.324 1.537 10 5 CDBEMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000610430279 346278691 /nfs/dbraw/zinc/27/86/91/346278691.db2.gz LBTZAWBMVVZWHR-SSDOTTSWSA-N 0 1 292.295 1.360 10 5 CDBEMN Nc1ccc(N2CCN3CCCC[C@H]3C2)nc1[N+](=O)[O-] ZINC000312525728 350783529 /nfs/dbraw/zinc/78/35/29/350783529.db2.gz PDVZUBVWJVZYDD-JTQLQIEISA-N 0 1 277.328 1.247 10 5 CDBEMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCc2[nH]nnc2C1 ZINC000170240347 363260870 /nfs/dbraw/zinc/26/08/70/363260870.db2.gz RDZJGXRGSLELJY-QMMMGPOBSA-N 0 1 287.279 1.457 10 5 CDBEMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCc2nn[nH]c2C1 ZINC000170240347 363260874 /nfs/dbraw/zinc/26/08/74/363260874.db2.gz RDZJGXRGSLELJY-QMMMGPOBSA-N 0 1 287.279 1.457 10 5 CDBEMN CN1CCO[C@@H](CNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000084440112 358876524 /nfs/dbraw/zinc/87/65/24/358876524.db2.gz GHVIPGUIYGPBEC-LBPRGKRZSA-N 0 1 299.758 1.668 10 5 CDBEMN COCCC1(C)CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000291346437 358943362 /nfs/dbraw/zinc/94/33/62/358943362.db2.gz XBDFMFAHEZSHLC-UHFFFAOYSA-N 0 1 282.300 1.125 10 5 CDBEMN C[C@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1O ZINC000330446697 374856755 /nfs/dbraw/zinc/85/67/55/374856755.db2.gz FMACSJUILOREAF-TVQRCGJNSA-N 0 1 266.297 1.503 10 5 CDBEMN C[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1O ZINC000330446697 374856763 /nfs/dbraw/zinc/85/67/63/374856763.db2.gz FMACSJUILOREAF-TVQRCGJNSA-N 0 1 266.297 1.503 10 5 CDBEMN Nc1c(F)c(N2CCN3CCC2CC3)ccc1[N+](=O)[O-] ZINC000344800376 375452043 /nfs/dbraw/zinc/45/20/43/375452043.db2.gz VDHBRLVAWYGMTO-UHFFFAOYSA-N 0 1 280.303 1.601 10 5 CDBEMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@](O)(CO)C1 ZINC000459645582 392496075 /nfs/dbraw/zinc/49/60/75/392496075.db2.gz LPKVVLYTBANGRW-FZMZJTMJSA-N 0 1 280.324 1.475 10 5 CDBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@](O)(CO)C1 ZINC000459644277 392496285 /nfs/dbraw/zinc/49/62/85/392496285.db2.gz DNEIWMLZQDKLDF-SMDDNHRTSA-N 0 1 280.324 1.475 10 5 CDBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](O)C[C@@H]1CO ZINC000184730751 148368617 /nfs/dbraw/zinc/36/86/17/148368617.db2.gz HUISSQNJXJAUKL-CYZMBNFOSA-N 0 1 280.324 1.392 10 5 CDBEMN COc1cc(CN2CCCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000305814709 149168259 /nfs/dbraw/zinc/16/82/59/149168259.db2.gz JKYOFWLMDPRHEA-LBPRGKRZSA-N 0 1 280.324 1.950 10 5 CDBEMN COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000351971099 154868293 /nfs/dbraw/zinc/86/82/93/154868293.db2.gz OPNKZKXZGFZBHP-NSHDSACASA-N 0 1 294.307 1.598 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000363933797 159356441 /nfs/dbraw/zinc/35/64/41/159356441.db2.gz SGBFHBLZPDPTNQ-GMTAPVOTSA-N 0 1 282.321 1.313 10 5 CDBEMN C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1nn[nH]n1 ZINC000044931396 175279902 /nfs/dbraw/zinc/27/99/02/175279902.db2.gz GPQYLIATBJYKIR-ZETCQYMHSA-N 0 1 285.267 1.829 10 5 CDBEMN Cn1c(CN)nnc1SCc1ccc([N+](=O)[O-])o1 ZINC000071374056 176139109 /nfs/dbraw/zinc/13/91/09/176139109.db2.gz CGEBURYDKKVMSE-UHFFFAOYSA-N 0 1 269.286 1.067 10 5 CDBEMN Cc1csc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)n1 ZINC000184182421 323357285 /nfs/dbraw/zinc/35/72/85/323357285.db2.gz OGCYLMUGJQIFSY-SECBINFHSA-N 0 1 281.341 1.907 10 5 CDBEMN CC(=O)c1cc([N+](=O)[O-])ccc1OCCN(C)C ZINC000061570316 518292310 /nfs/dbraw/zinc/29/23/10/518292310.db2.gz YGLQIKZQLPLLTO-UHFFFAOYSA-N 0 1 252.270 1.738 10 5 CDBEMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(O)CC1 ZINC000183236573 525564673 /nfs/dbraw/zinc/56/46/73/525564673.db2.gz XWDLXQUSZLTILG-UHFFFAOYSA-N 0 1 250.298 1.860 10 5 CDBEMN O=C(COc1ccc([N+](=O)[O-])c(Cl)c1)N1CCNCC1 ZINC000050470218 526967645 /nfs/dbraw/zinc/96/76/45/526967645.db2.gz TZERYFZEZDDAEH-UHFFFAOYSA-N 0 1 299.714 1.059 10 5 CDBEMN Nc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1CO ZINC000050816568 527504123 /nfs/dbraw/zinc/50/41/23/527504123.db2.gz GHBLZPFWFQMEQF-LLVKDONJSA-N 0 1 251.286 1.134 10 5 CDBEMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](OC)C2)c1[N+](=O)[O-] ZINC000189817145 536001172 /nfs/dbraw/zinc/00/11/72/536001172.db2.gz GIIHKFZWBMNSPH-SCZZXKLOSA-N 0 1 296.327 1.377 10 5 CDBEMN O=[N+]([O-])c1ccc2[nH]c(NCc3nnc[nH]3)nc2c1 ZINC000094771731 1174486465 /nfs/dbraw/zinc/48/64/65/1174486465.db2.gz DSQMTDRBIKYAMN-UHFFFAOYSA-N 0 1 259.229 1.201 10 5 CDBEMN CC(C)(NC(=O)c1cc(F)ccc1[N+](=O)[O-])c1c[nH]nn1 ZINC000734410129 575343270 /nfs/dbraw/zinc/34/32/70/575343270.db2.gz LOFSOHFXPYBUFG-UHFFFAOYSA-N 0 1 293.258 1.517 10 5 CDBEMN O=C(Cc1cccc(F)c1[N+](=O)[O-])NC12CCN(CC1)C2 ZINC000913636111 630721955 /nfs/dbraw/zinc/72/19/55/630721955.db2.gz XCBLDMQIGOPDIT-UHFFFAOYSA-N 0 1 293.298 1.241 10 5 CDBEMN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cnc[nH]1 ZINC001632708360 1166368824 /nfs/dbraw/zinc/36/88/24/1166368824.db2.gz GRTAFEDFHZDCJY-UHFFFAOYSA-N 0 1 289.295 1.632 10 5 CDBEMN CN(Cc1cnc[nH]1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001645306037 1167388789 /nfs/dbraw/zinc/38/87/89/1167388789.db2.gz CTOQBFCGAGIEEQ-UHFFFAOYSA-N 0 1 293.258 1.311 10 5 CDBEMN Cc1nc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)n[nH]1 ZINC001651493238 1171328419 /nfs/dbraw/zinc/32/84/19/1171328419.db2.gz WXZVSTDNILWESS-UHFFFAOYSA-N 0 1 288.311 1.907 10 5 CDBEMN C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnc[nH]1 ZINC000230432792 1178151788 /nfs/dbraw/zinc/15/17/88/1178151788.db2.gz VRSTVBCUTWXZPK-LURJTMIESA-N 0 1 273.256 1.762 10 5 CDBEMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc[nH]n3)C2)cn1 ZINC000446847438 1186806206 /nfs/dbraw/zinc/80/62/06/1186806206.db2.gz MOAZYRNEVGSZGO-VIFPVBQESA-N 0 1 274.284 1.492 10 5 CDBEMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C 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BOCHBQNTRWZSOY-RKDXNWHRSA-N 0 1 269.326 1.029 10 5 CDBEMN CCc1nc([C@@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-])n[nH]1 ZINC000849791522 754654817 /nfs/dbraw/zinc/65/48/17/754654817.db2.gz PFQBJDAGYMVZJI-MRVPVSSYSA-N 0 1 284.316 1.807 10 5 CDBEMN Cc1ccc(NC(=O)NC[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000925394805 755383487 /nfs/dbraw/zinc/38/34/87/755383487.db2.gz CGXZWIVRHQORQP-LLVKDONJSA-N 0 1 278.312 1.729 10 5 CDBEMN C[C@@H](NCC[C@@]1(O)CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082757 755400123 /nfs/dbraw/zinc/40/01/23/755400123.db2.gz ARXPANUDCVCZOX-QMTHXVAHSA-N 0 1 298.314 1.926 10 5 CDBEMN C[C@H](NC[C@H](O)[C@@H]1CCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088095 756895838 /nfs/dbraw/zinc/89/58/38/756895838.db2.gz NLDGZFDVTNKMSR-XDTLVQLUSA-N 0 1 298.314 1.924 10 5 CDBEMN COc1ccc(CN2C[C@@H]3COC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000860158733 757077957 /nfs/dbraw/zinc/07/79/57/757077957.db2.gz SOAPSZKYYHUNQQ-GHMZBOCLSA-N 0 1 292.291 1.208 10 5 CDBEMN O=[N+]([O-])c1ccc(N[C@H]2CCCN3CCSC[C@H]23)cn1 ZINC000720464873 757341588 /nfs/dbraw/zinc/34/15/88/757341588.db2.gz SHUNPCMNAIGQNW-NWDGAFQWSA-N 0 1 294.380 1.982 10 5 CDBEMN C[C@](N)(C(=O)N[C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000870914632 758517140 /nfs/dbraw/zinc/51/71/40/758517140.db2.gz ZEGWOYIPNXZRCG-DGCLKSJQSA-N 0 1 275.308 1.437 10 5 CDBEMN CCn1nc(C)c(CN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC000869727784 758806166 /nfs/dbraw/zinc/80/61/66/758806166.db2.gz VQAGQPZIKBCARY-ZYHUDNBSSA-N 0 1 280.328 1.143 10 5 CDBEMN CCN(CCNCc1ccccc1[N+](=O)[O-])C(=O)C1CC1 ZINC001268431743 902043374 /nfs/dbraw/zinc/04/33/74/902043374.db2.gz VPXYSWAYJWGKPV-UHFFFAOYSA-N 0 1 291.351 1.943 10 5 CDBEMN CCS(=O)(CC)=NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001178475334 915457308 /nfs/dbraw/zinc/45/73/08/915457308.db2.gz JYDQUJIIRVEBSL-UHFFFAOYSA-N 0 1 259.287 1.571 10 5 CDBEMN NC(=O)[C@@H]1CCCN1CCCNc1ccsc1[N+](=O)[O-] ZINC001458496137 932755047 /nfs/dbraw/zinc/75/50/47/932755047.db2.gz UCEIDMJBYGCYPE-JTQLQIEISA-N 0 1 298.368 1.408 10 5 CDBEMN CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001163910997 939349263 /nfs/dbraw/zinc/34/92/63/939349263.db2.gz VDGAMYPQZLHTHZ-VHSXEESVSA-N 0 1 296.327 1.392 10 5 CDBEMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C)n2)n[nH]1 ZINC001449109377 967364997 /nfs/dbraw/zinc/36/49/97/967364997.db2.gz SEXLTVQZEVAGKL-SSDOTTSWSA-N 0 1 290.283 1.216 10 5 CDBEMN O=C(OCC(F)(F)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001526594579 968574517 /nfs/dbraw/zinc/57/45/17/968574517.db2.gz QJKULIDRKJGBTG-NXEZZACHSA-N 0 1 271.219 1.987 10 5 CDBEMN CC[C@H](C)[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(N)=O ZINC001460764133 969541502 /nfs/dbraw/zinc/54/15/02/969541502.db2.gz RHXIOAHIMBUXCF-UFBFGSQYSA-N 0 1 281.312 1.290 10 5 CDBEMN C[C@@H]1COC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001462939314 969719134 /nfs/dbraw/zinc/71/91/34/969719134.db2.gz XRGLSGHOQOGFFP-HQJQHLMTSA-N 0 1 290.279 1.236 10 5 CDBEMN CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000600253189 341989355 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CC[C@@H](C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599339720 344013504 /nfs/dbraw/zinc/01/35/04/344013504.db2.gz RLPKPVUOCJAFEA-MRVPVSSYSA-N 0 1 290.345 1.043 10 5 CDBEMN CCC1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCCC1 ZINC000594777550 342960826 /nfs/dbraw/zinc/96/08/26/342960826.db2.gz VFMVKGMWDXZNGE-UHFFFAOYSA-N 0 1 299.352 1.991 10 5 CDBEMN Cc1noc(CN2CCC[C@H]3COCC[C@@H]32)c1[N+](=O)[O-] ZINC000595338476 343030144 /nfs/dbraw/zinc/03/01/44/343030144.db2.gz IOGWXTKUXZHTTO-QWRGUYRKSA-N 0 1 281.312 1.892 10 5 CDBEMN O=[N+]([O-])c1cccnc1N1CCCc2[nH]ncc2C1 ZINC000596002093 343206995 /nfs/dbraw/zinc/20/69/95/343206995.db2.gz DMFBCRKRIRSUQA-UHFFFAOYSA-N 0 1 259.269 1.666 10 5 CDBEMN CC(C)[N@H+]1CC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596094176 343234454 /nfs/dbraw/zinc/23/44/54/343234454.db2.gz OOEKEEFCIZWJOA-VIFPVBQESA-N 0 1 266.301 1.590 10 5 CDBEMN NC(=O)C[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092588297 342418115 /nfs/dbraw/zinc/41/81/15/342418115.db2.gz PEOFBDMTWNHEFU-LLVKDONJSA-N 0 1 293.323 1.530 10 5 CDBEMN CO[C@]1(CO)CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000597188238 343479922 /nfs/dbraw/zinc/47/99/22/343479922.db2.gz RFAXTVBNBNAVBA-OAHLLOKOSA-N 0 1 294.351 1.877 10 5 CDBEMN Cc1nc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000293096116 362529366 /nfs/dbraw/zinc/52/93/66/362529366.db2.gz ITDDYBHUXKCVKU-QMMMGPOBSA-N 0 1 261.285 1.872 10 5 CDBEMN CCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](F)C2)c1[N+](=O)[O-] ZINC000611508257 346800194 /nfs/dbraw/zinc/80/01/94/346800194.db2.gz FIWMOIQNBGOJLC-HTQZYQBOSA-N 0 1 284.291 1.700 10 5 CDBEMN C[C@H]1CN(C)C[C@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000155411455 188204728 /nfs/dbraw/zinc/20/47/28/188204728.db2.gz HCWIXCWYZSIZTI-RYUDHWBXSA-N 0 1 291.351 1.688 10 5 CDBEMN COC[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178002048 189085130 /nfs/dbraw/zinc/08/51/30/189085130.db2.gz ZOLOTMIDXXZHIL-AWEZNQCLSA-N 0 1 280.324 1.567 10 5 CDBEMN CC[C@@H](N[C@H]1CCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178676590 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O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN2CCC1CC2 ZINC000356993637 375494650 /nfs/dbraw/zinc/49/46/50/375494650.db2.gz DZIKOIQINMBKGZ-UHFFFAOYSA-N 0 1 293.298 1.654 10 5 CDBEMN O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000372293847 160101706 /nfs/dbraw/zinc/10/17/06/160101706.db2.gz GUOGQMOZRLRFNY-ZDUSSCGKSA-N 0 1 278.308 1.430 10 5 CDBEMN CCNc1ncnc(Nc2ccncc2)c1[N+](=O)[O-] ZINC000040586296 174345846 /nfs/dbraw/zinc/34/58/46/174345846.db2.gz WCTHHODQBKPXHR-UHFFFAOYSA-N 0 1 260.257 1.955 10 5 CDBEMN O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CNCCO1 ZINC000043708609 175101851 /nfs/dbraw/zinc/10/18/51/175101851.db2.gz HXSVSQFXSKRYRH-JTQLQIEISA-N 0 1 285.687 1.175 10 5 CDBEMN CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CN2CCC1CC2 ZINC000518961278 265249934 /nfs/dbraw/zinc/24/99/34/265249934.db2.gz UZLXZFODGBEAJY-ZDUSSCGKSA-N 0 1 292.339 1.100 10 5 CDBEMN CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000046901273 424623226 /nfs/dbraw/zinc/62/32/26/424623226.db2.gz 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Cc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2C)n[nH]1 ZINC000770642791 575480497 /nfs/dbraw/zinc/48/04/97/575480497.db2.gz LVGZKXGCGSDKNZ-UHFFFAOYSA-N 0 1 276.252 1.687 10 5 CDBEMN CC[C@H](CNCc1csc([N+](=O)[O-])c1)C(=O)OC ZINC000895119296 619313059 /nfs/dbraw/zinc/31/30/59/619313059.db2.gz CANKGEJOZPUEPT-SECBINFHSA-N 0 1 272.326 1.945 10 5 CDBEMN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)Cc2cnc[nH]2)n1 ZINC001629183538 1166119787 /nfs/dbraw/zinc/11/97/87/1166119787.db2.gz OFCPROKDWRFAQB-UHFFFAOYSA-N 0 1 275.268 1.294 10 5 CDBEMN CC(C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cn[nH]n1 ZINC001638891876 1166881720 /nfs/dbraw/zinc/88/17/20/1166881720.db2.gz NKMPIMWEBKJVPE-UHFFFAOYSA-N 0 1 291.267 1.084 10 5 CDBEMN CC(C)c1ncc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])[nH]1 ZINC001639428238 1166936111 /nfs/dbraw/zinc/93/61/11/1166936111.db2.gz YOVPABLEXLLJQW-UHFFFAOYSA-N 0 1 278.272 1.094 10 5 CDBEMN C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001640056371 1166991195 /nfs/dbraw/zinc/99/11/95/1166991195.db2.gz HXXMBIIOTFXWGS-NSHDSACASA-N 0 1 292.339 1.391 10 5 CDBEMN O=[N+]([O-])c1ccsc1NC[C@H](O)c1cnc[nH]1 ZINC001640400368 1167021341 /nfs/dbraw/zinc/02/13/41/1167021341.db2.gz QNWPZDUUWUDARK-QMMMGPOBSA-N 0 1 254.271 1.525 10 5 CDBEMN O=C(CCn1cc([N+](=O)[O-])cn1)NOc1ccccc1F ZINC001644910172 1167354659 /nfs/dbraw/zinc/35/46/59/1167354659.db2.gz VPCYPAICBGJEMJ-UHFFFAOYSA-N 0 1 294.242 1.431 10 5 CDBEMN O=C1OC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC001655245955 1171680158 /nfs/dbraw/zinc/68/01/58/1171680158.db2.gz QXBSTFVMSOQUDI-GWCFXTLKSA-N 0 1 292.291 1.078 10 5 CDBEMN C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nnc[nH]1 ZINC000230432788 1178152494 /nfs/dbraw/zinc/15/24/94/1178152494.db2.gz VRSTVBCUTWXZPK-ZCFIWIBFSA-N 0 1 273.256 1.762 10 5 CDBEMN O=C(CCc1c[nH]nn1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001630895804 1166241331 /nfs/dbraw/zinc/24/13/31/1166241331.db2.gz JESCXJMAYRRFHR-UHFFFAOYSA-N 0 1 289.295 1.004 10 5 CDBEMN O=C(CCc1cnn[nH]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001630895804 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C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccns1 ZINC000860053398 811806686 /nfs/dbraw/zinc/80/66/86/811806686.db2.gz CXYLFHSFKZQVMK-QMMMGPOBSA-N 0 1 267.314 1.599 10 5 CDBEMN O=C(Nc1c[nH]nn1)c1ccc(F)cc1[N+](=O)[O-] ZINC000789928826 811810249 /nfs/dbraw/zinc/81/02/49/811810249.db2.gz OKUUGQBRPRLOBT-UHFFFAOYSA-N 0 1 251.177 1.104 10 5 CDBEMN CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000819675051 812031705 /nfs/dbraw/zinc/03/17/05/812031705.db2.gz ZGBYWTZZIHNVPJ-GYSYKLTISA-N 0 1 298.339 1.232 10 5 CDBEMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827384589 812094680 /nfs/dbraw/zinc/09/46/80/812094680.db2.gz VEGZRTXUNPNGJE-PHIMTYICSA-N 0 1 271.361 1.373 10 5 CDBEMN O=C1CC[C@@H](CN2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000851906987 812878818 /nfs/dbraw/zinc/87/88/18/812878818.db2.gz CEYZHXYAJSESDE-NSHDSACASA-N 0 1 277.280 1.054 10 5 CDBEMN CC(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840321988 813258647 /nfs/dbraw/zinc/25/86/47/813258647.db2.gz 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CDBEMN CC1(C2CC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839777251 936925099 /nfs/dbraw/zinc/92/50/99/936925099.db2.gz PVGFCLKDMRGAFQ-GHMZBOCLSA-N 0 1 252.314 1.690 10 5 CDBEMN O=[N+]([O-])c1ccc2c(cnn2CN2CCC3(COC3)C2)c1 ZINC000853594491 928055668 /nfs/dbraw/zinc/05/56/68/928055668.db2.gz FWFQFFWNERWJSP-UHFFFAOYSA-N 0 1 288.307 1.624 10 5 CDBEMN O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC000856265875 928572534 /nfs/dbraw/zinc/57/25/34/928572534.db2.gz FRTJIMIUBYQAHO-NJMOYASZSA-N 0 1 276.267 1.245 10 5 CDBEMN Cc1c(CC(=O)Nc2c[nH]nn2)cccc1[N+](=O)[O-] ZINC000798127979 937346844 /nfs/dbraw/zinc/34/68/44/937346844.db2.gz HLMOEPJKLHCVBM-UHFFFAOYSA-N 0 1 261.241 1.203 10 5 CDBEMN CNC(=O)[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000817283821 930468922 /nfs/dbraw/zinc/46/89/22/930468922.db2.gz CLVDTGZMTGJWRL-SECBINFHSA-N 0 1 281.287 1.302 10 5 CDBEMN O=[N+]([O-])CCN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000930825451 933457589 /nfs/dbraw/zinc/45/75/89/933457589.db2.gz OJWFCRPYMLSSIC-AWEZNQCLSA-N 0 1 276.336 1.923 10 5 CDBEMN CC(C)(C)OCCCN1CCN(CC[N+](=O)[O-])CC1 ZINC000931696435 933610158 /nfs/dbraw/zinc/61/01/58/933610158.db2.gz LWFAIYFUFSIZFV-UHFFFAOYSA-N 0 1 273.377 1.086 10 5 CDBEMN NC(=O)CC1CC(NCc2csc([N+](=O)[O-])c2)C1 ZINC000718527743 934826182 /nfs/dbraw/zinc/82/61/82/934826182.db2.gz QTDBEOVFJOBQIO-UHFFFAOYSA-N 0 1 269.326 1.400 10 5 CDBEMN O=[N+]([O-])c1cnc(N[C@H]2CCCN3CCSC[C@@H]23)nc1 ZINC000720475039 935148507 /nfs/dbraw/zinc/14/85/07/935148507.db2.gz QAUGYJPVZZVLCC-QWRGUYRKSA-N 0 1 295.368 1.377 10 5 CDBEMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000362477875 945997984 /nfs/dbraw/zinc/99/79/84/945997984.db2.gz YNUHOPGXNMKBRP-QMMMGPOBSA-N 0 1 290.283 1.061 10 5 CDBEMN CN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001543093104 967264440 /nfs/dbraw/zinc/26/44/40/967264440.db2.gz HUXWUMSCRKCAGL-UHFFFAOYSA-N 0 1 260.253 1.687 10 5 CDBEMN CCc1ncc(CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)[nH]1 ZINC001472889407 968971920 /nfs/dbraw/zinc/97/19/20/968971920.db2.gz VBYOWMGKTIRJFT-UHFFFAOYSA-N 0 1 289.295 1.591 10 5 CDBEMN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCc2[nH]cnc2C1 ZINC001472798331 970701625 /nfs/dbraw/zinc/70/16/25/970701625.db2.gz GVUREDTVHBYPNI-SSDOTTSWSA-N 0 1 262.273 1.021 10 5 CDBEMN COCC(=O)NC/C=C\CNCc1cccc([N+](=O)[O-])c1 ZINC001497510964 973375340 /nfs/dbraw/zinc/37/53/40/973375340.db2.gz ISNXHCUHCQXYTI-IHWYPQMZSA-N 0 1 293.323 1.003 10 5 CDBEMN CN(Cc1cc(O)ccc1[N+](=O)[O-])Cc1ncccn1 ZINC001654633944 1171627309 /nfs/dbraw/zinc/62/73/09/1171627309.db2.gz QUPAVGPGXXTNEA-UHFFFAOYSA-N 0 1 274.280 1.722 10 5 CDBEMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1c[nH]nn1 ZINC000618464160 349465721 /nfs/dbraw/zinc/46/57/21/349465721.db2.gz KUTTXXZJPHCJGA-UHFFFAOYSA-N 0 1 295.686 1.605 10 5 CDBEMN CCc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)no1 ZINC000611556854 346815876 /nfs/dbraw/zinc/81/58/76/346815876.db2.gz JWPDQTJGVYLZAW-UHFFFAOYSA-N 0 1 277.236 1.525 10 5 CDBEMN O=[N+]([O-])c1ccc(CNC[C@H](O)C(F)(F)F)cc1 ZINC000070183811 361763729 /nfs/dbraw/zinc/76/37/29/361763729.db2.gz SIJJPUTYLXPYKX-VIFPVBQESA-N 0 1 264.203 1.608 10 5 CDBEMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593188583 342776388 /nfs/dbraw/zinc/77/63/88/342776388.db2.gz MAMYBICEUDXDPX-MXWKQRLJSA-N 0 1 292.339 1.543 10 5 CDBEMN CC1(F)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000619420085 342216058 /nfs/dbraw/zinc/21/60/58/342216058.db2.gz WCLRXFYPBOQLGC-UHFFFAOYSA-N 0 1 254.217 1.484 10 5 CDBEMN Cc1c(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000619221290 349656116 /nfs/dbraw/zinc/65/61/16/349656116.db2.gz YQZHMFJBVVSDEV-UHFFFAOYSA-N 0 1 290.323 1.974 10 5 CDBEMN CC1(CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594772497 342956232 /nfs/dbraw/zinc/95/62/32/342956232.db2.gz KWWWCTRAZITPPC-UHFFFAOYSA-N 0 1 285.325 1.458 10 5 CDBEMN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CC2(CCC2)C1 ZINC000594792745 342957719 /nfs/dbraw/zinc/95/77/19/342957719.db2.gz BCDPYKRPBYQVSO-UHFFFAOYSA-N 0 1 297.336 1.601 10 5 CDBEMN CC[C@@](C)(NS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CC1 ZINC000594860418 342964723 /nfs/dbraw/zinc/96/47/23/342964723.db2.gz DBZNNWIMIJXBBB-GFCCVEGCSA-N 0 1 299.352 1.847 10 5 CDBEMN COC(=O)[C@@H]1OCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000595670521 343128038 /nfs/dbraw/zinc/12/80/38/343128038.db2.gz VRMJSGXSKIZOCC-NWDGAFQWSA-N 0 1 280.280 1.015 10 5 CDBEMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826434 343167018 /nfs/dbraw/zinc/16/70/18/343167018.db2.gz BPHXDYGXDPYGLK-PWSUYJOCSA-N 0 1 278.308 1.769 10 5 CDBEMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H]1C(F)F ZINC000601602781 344207937 /nfs/dbraw/zinc/20/79/37/344207937.db2.gz KDYAYZYVQNIQCZ-VIFPVBQESA-N 0 1 272.207 1.780 10 5 CDBEMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnoc1 ZINC000604542241 344899329 /nfs/dbraw/zinc/89/93/29/344899329.db2.gz IJAWRSMIAVHBPZ-UHFFFAOYSA-N 0 1 283.265 1.692 10 5 CDBEMN CC(C)(C(=O)NCc1c[nH]nn1)c1ccc([N+](=O)[O-])cc1 ZINC000610663160 346338047 /nfs/dbraw/zinc/33/80/47/346338047.db2.gz BWIZKIAYXAGESO-UHFFFAOYSA-N 0 1 289.295 1.307 10 5 CDBEMN CN1CCN(CCn2cc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000584626698 346503308 /nfs/dbraw/zinc/50/33/08/346503308.db2.gz VCSQENXXZFRREA-UHFFFAOYSA-N 0 1 289.339 1.192 10 5 CDBEMN CC(=O)NCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000567373134 358666396 /nfs/dbraw/zinc/66/63/96/358666396.db2.gz YLNGFEDATQFCPX-UHFFFAOYSA-N 0 1 251.286 1.163 10 5 CDBEMN O=[N+]([O-])c1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)cn1 ZINC000450793093 359006032 /nfs/dbraw/zinc/00/60/32/359006032.db2.gz PHVBGKYDZNAVLJ-TXEJJXNPSA-N 0 1 278.312 1.265 10 5 CDBEMN C[N@@H+](CCOCC(=O)[O-])CCc1cccc([N+](=O)[O-])c1 ZINC000572006876 359738566 /nfs/dbraw/zinc/73/85/66/359738566.db2.gz LVKATCUXEGITRJ-UHFFFAOYSA-N 0 1 282.296 1.170 10 5 CDBEMN CC[N@H+]1CCC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166715470 360234256 /nfs/dbraw/zinc/23/42/56/360234256.db2.gz IMKYTKLMPSSWJU-VIFPVBQESA-N 0 1 294.311 1.584 10 5 CDBEMN CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000175318467 364381159 /nfs/dbraw/zinc/38/11/59/364381159.db2.gz KUOJGQDQGROGRM-JTQLQIEISA-N 0 1 293.323 1.372 10 5 CDBEMN CC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000181985756 365059023 /nfs/dbraw/zinc/05/90/23/365059023.db2.gz IDLMUIYLGDGAGL-SNVBAGLBSA-N 0 1 293.323 1.515 10 5 CDBEMN O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000155051980 374798370 /nfs/dbraw/zinc/79/83/70/374798370.db2.gz WLMVJSPJRVPJHT-WDEREUQCSA-N 0 1 286.291 1.851 10 5 CDBEMN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1O ZINC000352780287 375538548 /nfs/dbraw/zinc/53/85/48/375538548.db2.gz SUMBVVZEUHSOPP-AAEUAGOBSA-N 0 1 280.324 1.806 10 5 CDBEMN C[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000279327764 194385576 /nfs/dbraw/zinc/38/55/76/194385576.db2.gz GXFYLKWRLJDWPT-UWVGGRQHSA-N 0 1 293.323 1.969 10 5 CDBEMN COc1cc(N2CCN(CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000450952953 390582868 /nfs/dbraw/zinc/58/28/68/390582868.db2.gz JQYOOJMPBYGVTF-NSHDSACASA-N 0 1 295.339 1.106 10 5 CDBEMN CC[C@@H](C)N1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000450863665 390565711 /nfs/dbraw/zinc/56/57/11/390565711.db2.gz TUSIMVQVEDBYEK-LLVKDONJSA-N 0 1 264.329 1.910 10 5 CDBEMN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000285217797 390813653 /nfs/dbraw/zinc/81/36/53/390813653.db2.gz XLIPMFREMHUKQD-HUUCEWRRSA-N 0 1 291.351 1.813 10 5 CDBEMN O=C(NCCc1cc(F)ccc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000127264592 390817598 /nfs/dbraw/zinc/81/75/98/390817598.db2.gz ABLAZCURESHRDU-UHFFFAOYSA-N 0 1 296.233 1.569 10 5 CDBEMN O=[N+]([O-])c1ccccc1OCCN1C[C@@H](O)C2(CC2)C1 ZINC000364442759 391363971 /nfs/dbraw/zinc/36/39/71/391363971.db2.gz MTYBIQFKURZUKF-CYBMUJFWSA-N 0 1 278.308 1.430 10 5 CDBEMN Cc1cc(N2C[C@@H]3OCCN(C)[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000360082926 391638622 /nfs/dbraw/zinc/63/86/22/391638622.db2.gz NRYLHVBEQYFVBJ-KBPBESRZSA-N 0 1 295.314 1.562 10 5 CDBEMN Cc1[nH]nc(C(=O)N2CC(C)=C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000436002387 391827756 /nfs/dbraw/zinc/82/77/56/391827756.db2.gz QSCSSKHFXPRPSV-SSDOTTSWSA-N 0 1 264.285 1.665 10 5 CDBEMN CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000390001512 393127305 /nfs/dbraw/zinc/12/73/05/393127305.db2.gz PXIMDTYHQZVTTG-JTQLQIEISA-N 0 1 279.296 1.124 10 5 CDBEMN COCC[C@H](COC)NCc1ccc([N+](=O)[O-])cc1F ZINC000312453768 149231981 /nfs/dbraw/zinc/23/19/81/149231981.db2.gz AIYQUDXCJKRYPD-LLVKDONJSA-N 0 1 286.303 1.875 10 5 CDBEMN CC[N@H+](CCC(=O)[O-])Cc1nc2ccccn2c1[N+](=O)[O-] ZINC000038024504 174006644 /nfs/dbraw/zinc/00/66/44/174006644.db2.gz HZEHKFULPVTPBM-UHFFFAOYSA-N 0 1 292.295 1.539 10 5 CDBEMN CC[N@@H+](CCC(=O)[O-])Cc1nc2ccccn2c1[N+](=O)[O-] ZINC000038024504 174006646 /nfs/dbraw/zinc/00/66/46/174006646.db2.gz HZEHKFULPVTPBM-UHFFFAOYSA-N 0 1 292.295 1.539 10 5 CDBEMN C[C@H](NC(C)(C)C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000040674397 174372856 /nfs/dbraw/zinc/37/28/56/174372856.db2.gz MESBCWAKLADQRO-QMMMGPOBSA-N 0 1 251.286 1.509 10 5 CDBEMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])o1 ZINC000042163769 174646837 /nfs/dbraw/zinc/64/68/37/174646837.db2.gz KFTWXIRZMLHYGY-QMMMGPOBSA-N 0 1 254.242 1.627 10 5 CDBEMN CCCNC(=O)CCNCc1cc(F)ccc1[N+](=O)[O-] ZINC000045073775 175302754 /nfs/dbraw/zinc/30/27/54/175302754.db2.gz IFNJXCKTARQFKN-UHFFFAOYSA-N 0 1 283.303 1.740 10 5 CDBEMN CC(C)(CC(N)=O)NCc1csc([N+](=O)[O-])c1 ZINC000230649902 280117374 /nfs/dbraw/zinc/11/73/74/280117374.db2.gz YGXZPBBAYSLCAG-UHFFFAOYSA-N 0 1 257.315 1.400 10 5 CDBEMN O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000571027246 294352904 /nfs/dbraw/zinc/35/29/04/294352904.db2.gz FLSBXOYNIFKMLC-TXEJJXNPSA-N 0 1 290.323 1.953 10 5 CDBEMN CNc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C)C2)c1 ZINC000050786357 522640888 /nfs/dbraw/zinc/64/08/88/522640888.db2.gz WPXXCEGKGDMZDY-JTQLQIEISA-N 0 1 278.312 1.070 10 5 CDBEMN CNc1ccc([N+](=O)[O-])cc1CN(C)CCOC ZINC000050817515 522644443 /nfs/dbraw/zinc/64/44/43/522644443.db2.gz RCFIKGJEWYYGGB-UHFFFAOYSA-N 0 1 253.302 1.715 10 5 CDBEMN Cc1cc([N+](=O)[O-])c(C)cc1OC[C@](N)(C(N)=O)C1CC1 ZINC000069198645 525557031 /nfs/dbraw/zinc/55/70/31/525557031.db2.gz WNESHRUXGXQLMR-CQSZACIVSA-N 0 1 293.323 1.183 10 5 CDBEMN Cc1ccc([N+](=O)[O-])cc1N1CCC[N@@H+](CC(=O)[O-])CC1 ZINC000061145853 526075575 /nfs/dbraw/zinc/07/55/75/526075575.db2.gz FWBBODAZKVLQPM-UHFFFAOYSA-N 0 1 293.323 1.500 10 5 CDBEMN O=C([O-])C[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000061146016 527610003 /nfs/dbraw/zinc/61/00/03/527610003.db2.gz RJDQFDJSLHTLFD-UHFFFAOYSA-N 0 1 297.286 1.331 10 5 CDBEMN Cc1cc(CC(=O)OCc2csc([N+](=O)[O-])c2)n[nH]1 ZINC000756710660 577001483 /nfs/dbraw/zinc/00/14/83/577001483.db2.gz ZQGJBXZJGFZCHG-UHFFFAOYSA-N 0 1 281.293 1.974 10 5 CDBEMN Cc1c([C@@H](C)N[C@@H]2CNOC2)cccc1[N+](=O)[O-] ZINC000925865159 617912568 /nfs/dbraw/zinc/91/25/68/617912568.db2.gz VQDYDELREILHGC-NXEZZACHSA-N 0 1 251.286 1.457 10 5 CDBEMN COc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000928441367 619086191 /nfs/dbraw/zinc/08/61/91/619086191.db2.gz NZMJIKVBACSYAU-KOLCDFICSA-N 0 1 293.323 1.426 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCCC[C@@H]1C(F)(F)F ZINC000906189605 627145450 /nfs/dbraw/zinc/14/54/50/627145450.db2.gz ALSJWVDQYSPLSO-IWSPIJDZSA-N 0 1 280.246 1.985 10 5 CDBEMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCC2)C1 ZINC000912925711 630306804 /nfs/dbraw/zinc/30/68/04/630306804.db2.gz QITRNGCGYZMHIZ-CQSZACIVSA-N 0 1 289.335 1.444 10 5 CDBEMN C[C@H](C(=O)N(C)c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1F ZINC001130972452 1162761017 /nfs/dbraw/zinc/76/10/17/1162761017.db2.gz YNALDXOHLJJLQJ-LURJTMIESA-N 0 1 294.246 1.014 10 5 CDBEMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH]nn2)c1 ZINC000789926704 1162113218 /nfs/dbraw/zinc/11/32/18/1162113218.db2.gz VSJMPDLRMRLZBE-UHFFFAOYSA-N 0 1 279.281 1.687 10 5 CDBEMN Cc1[nH]ncc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001611866447 1165506943 /nfs/dbraw/zinc/50/69/43/1165506943.db2.gz MJCHTYGALPEFPI-UHFFFAOYSA-N 0 1 275.268 1.337 10 5 CDBEMN CN(Cc1cnc[nH]1)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001632713503 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/nfs/dbraw/zinc/72/89/60/523728960.db2.gz VOVBICDOLICAHW-UHFFFAOYSA-N 0 1 282.296 1.170 10 5 CDBEMN Nc1ccc(CN2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000050817153 527482568 /nfs/dbraw/zinc/48/25/68/527482568.db2.gz ILHVEFLCLXJGRZ-SNVBAGLBSA-N 0 1 251.286 1.134 10 5 CDBEMN O=C(NCc1c[nH]nn1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000769998568 575407983 /nfs/dbraw/zinc/40/79/83/575407983.db2.gz QZUDQOPGKXBZDW-UHFFFAOYSA-N 0 1 296.674 1.688 10 5 CDBEMN CCc1cc(CNC(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000762206257 576628974 /nfs/dbraw/zinc/62/89/74/576628974.db2.gz JPJQHSAFRFKEAO-UHFFFAOYSA-N 0 1 275.268 1.205 10 5 CDBEMN CC[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000928692109 620494259 /nfs/dbraw/zinc/49/42/59/620494259.db2.gz NLLKIDWJGLFUBK-IVZWLZJFSA-N 0 1 286.328 1.136 10 5 CDBEMN C[C@@H]1CCOCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000809764809 1163086303 /nfs/dbraw/zinc/08/63/03/1163086303.db2.gz JEPUMQQPDWLGPO-SNVBAGLBSA-N 0 1 266.297 1.911 10 5 CDBEMN O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H](OC2CCC2)CC1 ZINC000871323326 1165291981 /nfs/dbraw/zinc/29/19/81/1165291981.db2.gz VIQBIEZGFAQIFI-YNEHKIRRSA-N 0 1 282.340 1.602 10 5 CDBEMN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1cnc[nH]1 ZINC001640349023 1167014865 /nfs/dbraw/zinc/01/48/65/1167014865.db2.gz NMMSQHSFVFXIJB-UHFFFAOYSA-N 0 1 274.280 1.899 10 5 CDBEMN O=C(Nc1ccc2cncn2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001645631886 1167443980 /nfs/dbraw/zinc/44/39/80/1167443980.db2.gz FTOWDJSYEBPASN-UHFFFAOYSA-N 0 1 299.246 1.595 10 5 CDBEMN Cc1nc(NC[C@@H](O)c2cnc[nH]2)ccc1[N+](=O)[O-] ZINC001651412029 1171320839 /nfs/dbraw/zinc/32/08/39/1171320839.db2.gz VAKDPNZJZCRBDM-SNVBAGLBSA-N 0 1 263.257 1.167 10 5 CDBEMN Cc1nc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])n[nH]1 ZINC001652303068 1171419847 /nfs/dbraw/zinc/41/98/47/1171419847.db2.gz HCYXZGLMJKFLBB-UHFFFAOYSA-N 0 1 278.228 1.542 10 5 CDBEMN Cc1ccc(NC(=O)C2(N(C)C)CCC2)c(N)c1[N+](=O)[O-] ZINC001653214509 1171518756 /nfs/dbraw/zinc/51/87/56/1171518756.db2.gz IKZZICAHRGIUQI-UHFFFAOYSA-N 0 1 292.339 1.908 10 5 CDBEMN O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001655439026 1171694323 /nfs/dbraw/zinc/69/43/23/1171694323.db2.gz DNAHNUCHEDZGHI-JTQLQIEISA-N 0 1 274.284 1.097 10 5 CDBEMN O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](c3nnn[n-]3)C2)c1 ZINC001655439026 1171694328 /nfs/dbraw/zinc/69/43/28/1171694328.db2.gz DNAHNUCHEDZGHI-JTQLQIEISA-N 0 1 274.284 1.097 10 5 CDBEMN O=[N+]([O-])c1cccc(CN2CC[C@H](c3nn[nH]n3)C2)c1 ZINC001655439026 1171694333 /nfs/dbraw/zinc/69/43/33/1171694333.db2.gz DNAHNUCHEDZGHI-JTQLQIEISA-N 0 1 274.284 1.097 10 5 CDBEMN CN(CCN(C)C(=O)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001715512141 1179690036 /nfs/dbraw/zinc/69/00/36/1179690036.db2.gz TUPWBKQPDAPHJH-UHFFFAOYSA-N 0 1 291.351 1.895 10 5 CDBEMN CCC(=O)NCCN(CC)Cc1cccc([N+](=O)[O-])c1 ZINC001731798830 1182589349 /nfs/dbraw/zinc/58/93/49/1182589349.db2.gz PRWKOYFJFVPAHZ-UHFFFAOYSA-N 0 1 279.340 1.943 10 5 CDBEMN