smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCC2(CCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000096157116 473316240 /nfs/dbraw/zinc/31/62/40/473316240.db2.gz RXTXQNZGISVYFD-UHFFFAOYSA-N 0 3 331.416 2.738 40 5 EFBBHN CCc1nc2ccc(NCCN(C)C)c3c2n1c1ccccc1c3=O ZINC000005723878 471518599 /nfs/dbraw/zinc/51/85/99/471518599.db2.gz YUTJBINDHFWKND-UHFFFAOYSA-N 0 3 334.423 2.975 40 5 in-vivo EFBBHN CN(C)CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000013674031 471837142 /nfs/dbraw/zinc/83/71/42/471837142.db2.gz XQBOSYLZNZEIBR-NBVRZTHBSA-N 0 3 339.395 2.813 40 5 EFBBHN Cc1ccccc1C(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 ZINC000020154208 471986375 /nfs/dbraw/zinc/98/63/75/471986375.db2.gz QBTBISYQENCEBV-UHFFFAOYSA-N 0 3 340.383 2.565 40 5 EFBBHN Cc1cc(Nc2cnn(CCN3CCCCC3)c2)ncc1[N+](=O)[O-] ZINC000092978311 473016691 /nfs/dbraw/zinc/01/66/91/473016691.db2.gz KGPOSDMTSIMMGJ-UHFFFAOYSA-N 0 3 330.392 2.724 40 5 EFBBHN C[C@]1(O)C[C@@H](c2ccccc2)C([N+](=O)[O-])[C@@H](c2ccccc2N)O1 ZINC000003850843 210080631 /nfs/dbraw/zinc/08/06/31/210080631.db2.gz LKHOCMXAJQUWQO-DZJNRPSUSA-N 0 3 328.368 2.868 40 5 EFBBHN N=C1N[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)S1 ZINC000059500978 238774204 /nfs/dbraw/zinc/77/42/04/238774204.db2.gz JBYIGAYUMMJVFC-ZFWWWQNUSA-N 0 3 327.365 2.949 40 5 EFBBHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H](CN2CCOCC2)C1 ZINC000093017170 285159401 /nfs/dbraw/zinc/15/94/01/285159401.db2.gz BQJGZBZXJNBOMS-BBOMDTFKSA-N 0 3 345.443 2.652 40 5 EFBBHN C[C@H]1CCCCN1CCOC(=O)c1noc2cc([N+](=O)[O-])ccc21 ZINC000001670692 471396297 /nfs/dbraw/zinc/39/62/97/471396297.db2.gz GZHWXTPHNGXTBV-NSHDSACASA-N 0 3 333.344 2.767 40 5 EFBBHN N=C1N[C@@H](c2ccccc2)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)S1 ZINC000059500976 472627169 /nfs/dbraw/zinc/62/71/69/472627169.db2.gz JBYIGAYUMMJVFC-DZGCQCFKSA-N 0 3 327.365 2.949 40 5 EFBBHN C[C@@H]1C[C@H](c2ccsc2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000096485586 473444542 /nfs/dbraw/zinc/44/45/42/473444542.db2.gz UVWUTAUHUQIJPG-OCCSQVGLSA-N 0 3 333.413 2.696 40 5 EFBBHN Cc1ccc([C@@H](O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000195531733 474090322 /nfs/dbraw/zinc/09/03/22/474090322.db2.gz SIHJJWKCFALFPP-WBVHZDCISA-N 0 3 342.399 2.518 40 5 EFBBHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000187478559 526646633 /nfs/dbraw/zinc/64/66/33/526646633.db2.gz MTHUYFIVXRFHSK-ZDUSSCGKSA-N 0 3 325.796 2.548 40 5 EFBBHN COc1ccc(-c2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000095534184 473223581 /nfs/dbraw/zinc/22/35/81/473223581.db2.gz JGTSSCBZQQZDPF-HNNXBMFYSA-N 0 3 339.355 2.745 40 5 EFBBHN Cc1ccc([C@@H](N)c2nc(COc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000095534131 473224222 /nfs/dbraw/zinc/22/42/22/473224222.db2.gz UCDOQKIWOBNSAS-MRXNPFEDSA-N 0 3 339.355 2.648 40 5 EFBBHN O=C(CCN1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001621251 471394523 /nfs/dbraw/zinc/39/45/23/471394523.db2.gz XVWIQINIWGDZPG-UHFFFAOYSA-N 0 3 330.340 2.760 40 5 EFBBHN COc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000007276042 471603689 /nfs/dbraw/zinc/60/36/89/471603689.db2.gz WZZXQJQKZZWRSW-UHFFFAOYSA-N 0 3 331.372 2.814 40 5 EFBBHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2CC)c1 ZINC000253392777 474731623 /nfs/dbraw/zinc/73/16/23/474731623.db2.gz GHAOYIKVSHIVMY-ZDUSSCGKSA-N 0 3 335.404 2.598 40 5 EFBBHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1cccs1 ZINC000245316726 536365057 /nfs/dbraw/zinc/36/50/57/536365057.db2.gz KIZGVNQVNBGSTA-GWCFXTLKSA-N 0 3 348.432 2.524 40 5 EFBBHN O=C(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC1 ZINC000078979793 217164328 /nfs/dbraw/zinc/16/43/28/217164328.db2.gz XZPAVVDPAVOIOS-UHFFFAOYSA-N 0 3 343.383 2.957 40 5 EFBBHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc4c[nH]nc43)C2)nc1 ZINC000093534384 218230014 /nfs/dbraw/zinc/23/00/14/218230014.db2.gz HNGUAIRTKYQFPA-CQSZACIVSA-N 0 3 338.371 2.553 40 5 EFBBHN Cc1ccc(C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1 ZINC000020154213 471986966 /nfs/dbraw/zinc/98/69/66/471986966.db2.gz GJSTXTXRYVMQBH-UHFFFAOYSA-N 0 3 340.383 2.565 40 5 EFBBHN Cc1ccc([C@H](C)NC(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000096454999 473430815 /nfs/dbraw/zinc/43/08/15/473430815.db2.gz CMACGTZYJSUJBS-ZDUSSCGKSA-N 0 3 346.431 2.890 40 5 EFBBHN C[C@H]1C[C@H](c2ccsc2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000096485587 473444709 /nfs/dbraw/zinc/44/47/09/473444709.db2.gz UVWUTAUHUQIJPG-JSGCOSHPSA-N 0 3 333.413 2.696 40 5 EFBBHN C[C@@H]1C[C@@H](c2ccsc2)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000096485588 473445186 /nfs/dbraw/zinc/44/51/86/473445186.db2.gz UVWUTAUHUQIJPG-TZMCWYRMSA-N 0 3 333.413 2.696 40 5 EFBBHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H](N)Cc1ccccc1 ZINC000195529653 474088678 /nfs/dbraw/zinc/08/86/78/474088678.db2.gz SMHSUUHOBVLGSZ-INIZCTEOSA-N 0 3 347.802 2.777 40 5 EFBBHN COc1ccc(NC(=O)NCCN2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000040149916 213273154 /nfs/dbraw/zinc/27/31/54/213273154.db2.gz BMFCRKHYUUBBFH-GFCCVEGCSA-N 0 3 336.392 2.599 40 5 EFBBHN Cc1ccc([C@H](O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665078 202365118 /nfs/dbraw/zinc/36/51/18/202365118.db2.gz SIHJJWKCFALFPP-DOTOQJQBSA-N 0 3 342.399 2.518 40 5 EFBBHN C[C@@H]1CCCCN1CCOC(=O)c1noc2cc([N+](=O)[O-])ccc21 ZINC000004783489 471475400 /nfs/dbraw/zinc/47/54/00/471475400.db2.gz GZHWXTPHNGXTBV-LLVKDONJSA-N 0 3 333.344 2.767 40 5 EFBBHN N=C1N[C@H](c2ccccc2)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)S1 ZINC000059500975 472627449 /nfs/dbraw/zinc/62/74/49/472627449.db2.gz JBYIGAYUMMJVFC-UKRRQHHQSA-N 0 3 327.365 2.949 40 5 EFBBHN COc1ccc([C@H](CO)N(C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000079091269 472817639 /nfs/dbraw/zinc/81/76/39/472817639.db2.gz MGMNILXDTGSTHT-SFHVURJKSA-N 0 3 330.384 2.811 40 5 EFBBHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000004700303 210252220 /nfs/dbraw/zinc/25/22/20/210252220.db2.gz CGJACONVLRMRBF-PVAVHDDUSA-N 0 3 341.411 2.565 40 5 EFBBHN Cc1ccc([C@@H](O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665079 216289610 /nfs/dbraw/zinc/28/96/10/216289610.db2.gz SIHJJWKCFALFPP-RDJZCZTQSA-N 0 3 342.399 2.518 40 5 EFBBHN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000023076361 212346988 /nfs/dbraw/zinc/34/69/88/212346988.db2.gz YBZPPFFYXNTLKH-UHFFFAOYSA-N 0 3 342.399 2.711 40 5 EFBBHN COc1ccc([C@@H]2CC(N)=NN2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000222549398 241526490 /nfs/dbraw/zinc/52/64/90/241526490.db2.gz QZAURYGXHHNEGE-AWEZNQCLSA-N 0 3 342.355 2.836 40 5 EFBBHN O=[N+]([O-])c1cccc(CNCCc2cc(F)cc3c2OCOC3)c1 ZINC000078552766 217074291 /nfs/dbraw/zinc/07/42/91/217074291.db2.gz XLNRREPGAPBJSF-UHFFFAOYSA-N 0 3 332.331 2.933 40 5 EFBBHN Cc1sc(C(=O)N(CCN(C)C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000079050189 217181775 /nfs/dbraw/zinc/18/17/75/217181775.db2.gz LSMDKZFEFGTWAX-UHFFFAOYSA-N 0 3 348.428 2.564 40 5 EFBBHN COc1ccc(-c2nc([C@H](N)c3ccc(C)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000095534185 473223622 /nfs/dbraw/zinc/22/36/22/473223622.db2.gz JGTSSCBZQQZDPF-OAHLLOKOSA-N 0 3 339.355 2.745 40 5 EFBBHN C[C@]1(O)C[C@H](c2ccccc2)C([N+](=O)[O-])[C@@H](c2ccccc2N)O1 ZINC000005658559 471515131 /nfs/dbraw/zinc/51/51/31/471515131.db2.gz LKHOCMXAJQUWQO-BZZMCLGOSA-N 0 3 328.368 2.868 40 5 EFBBHN O=C(NCCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000032398857 472428195 /nfs/dbraw/zinc/42/81/95/472428195.db2.gz SNJJVVJOENPSPL-UHFFFAOYSA-N 0 3 339.395 2.773 40 5 EFBBHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1cccs1 ZINC000245316727 536386848 /nfs/dbraw/zinc/38/68/48/536386848.db2.gz KIZGVNQVNBGSTA-MFKMUULPSA-N 0 3 348.432 2.524 40 5 EFBBHN O=[N+]([O-])c1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000004170501 210137887 /nfs/dbraw/zinc/13/78/87/210137887.db2.gz WRESZNUCZXPYJA-RYRKJORJSA-N 0 3 327.428 2.925 40 5 EFBBHN CN1CCN(c2ccccc2CNCc2cccc([N+](=O)[O-])c2)CC1 ZINC000078553880 217075281 /nfs/dbraw/zinc/07/52/81/217075281.db2.gz YSVGLPISRAFDNK-UHFFFAOYSA-N 0 3 340.427 2.636 40 5 EFBBHN O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000001177722 471382907 /nfs/dbraw/zinc/38/29/07/471382907.db2.gz XGWPXXNQWMMZDI-FGTMMUONSA-N 0 3 327.428 2.925 40 5 EFBBHN CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12 ZINC000005392992 471503155 /nfs/dbraw/zinc/50/31/55/471503155.db2.gz YDQFGJFCLNZQJY-UHFFFAOYSA-N 0 3 344.436 2.586 40 5 EFBBHN O=[N+]([O-])c1cc(CNC2CCN(c3ncccn3)CC2)ccc1Cl ZINC000078394103 472710325 /nfs/dbraw/zinc/71/03/25/472710325.db2.gz LLFQSOYSWUGNBY-UHFFFAOYSA-N 0 3 347.806 2.797 40 5 EFBBHN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1cccs1 ZINC000096429611 473409674 /nfs/dbraw/zinc/40/96/74/473409674.db2.gz KIZGVNQVNBGSTA-ZWNOBZJWSA-N 0 3 348.432 2.524 40 5 EFBBHN Cc1ccc([C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)N(C)C)cc1 ZINC000302004364 476184742 /nfs/dbraw/zinc/18/47/42/476184742.db2.gz RYLZWDJDFVOZRY-CQSZACIVSA-N 0 3 340.387 2.661 40 5 EFBBHN CC(=O)N1CC[C@H](CN(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000187478541 526661562 /nfs/dbraw/zinc/66/15/62/526661562.db2.gz MTHUYFIVXRFHSK-CYBMUJFWSA-N 0 3 325.796 2.548 40 5 EFBBHN O=[N+]([O-])c1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000004170528 210138300 /nfs/dbraw/zinc/13/83/00/210138300.db2.gz XGWPXXNQWMMZDI-SQNIBIBYSA-N 0 3 327.428 2.925 40 5 EFBBHN Cc1ccc([C@H](N)c2nc(COc3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC000095534130 473223064 /nfs/dbraw/zinc/22/30/64/473223064.db2.gz UCDOQKIWOBNSAS-INIZCTEOSA-N 0 3 339.355 2.648 40 5 EFBBHN CC[NH+](CC)CCn1c2ccccc2c([O-])c2c(=O)ccc(O)c1-2 ZINC000033849421 471986319 /nfs/dbraw/zinc/98/63/19/471986319.db2.gz FGMCSSRWWVDXPV-UHFFFAOYSA-N 0 3 326.396 2.908 40 5 EFBBHN CCN(CC)CCn1c2ccccc2c(=O)c2c(O)ccc(O)c21 ZINC000033849421 471986322 /nfs/dbraw/zinc/98/63/22/471986322.db2.gz FGMCSSRWWVDXPV-UHFFFAOYSA-N 0 3 326.396 2.908 40 5 EFBBHN O=C(NCCCN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000029838543 472299773 /nfs/dbraw/zinc/29/97/73/472299773.db2.gz IZRWMIHJVMZJKY-UHFFFAOYSA-N 0 3 339.395 2.773 40 5 EFBBHN CN1CCC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1cccs1 ZINC000096429612 473409069 /nfs/dbraw/zinc/40/90/69/473409069.db2.gz KIZGVNQVNBGSTA-GXFFZTMASA-N 0 3 348.432 2.524 40 5 EFBBHN O=[N+]([O-])c1ccc(CNCCc2cc(F)cc3c2OCOC3)cc1 ZINC000078552772 285114162 /nfs/dbraw/zinc/11/41/62/285114162.db2.gz MNCBCZHQFNZLIY-UHFFFAOYSA-N 0 3 332.331 2.933 40 5 EFBBHN CCc1nc(C2CCN(Cc3cc([N+](=O)[O-])ccc3OC)CC2)n[nH]1 ZINC000190713801 473370187 /nfs/dbraw/zinc/37/01/87/473370187.db2.gz DIISJUBGKROVDR-UHFFFAOYSA-N 0 3 345.403 2.664 40 5 EFBBHN CCc1n[nH]c(C2CCN(Cc3cc([N+](=O)[O-])ccc3OC)CC2)n1 ZINC000190713801 473370191 /nfs/dbraw/zinc/37/01/91/473370191.db2.gz DIISJUBGKROVDR-UHFFFAOYSA-N 0 3 345.403 2.664 40 5 EFBBHN CCc1nnc(C2CCN(Cc3cc([N+](=O)[O-])ccc3OC)CC2)[nH]1 ZINC000190713801 473370198 /nfs/dbraw/zinc/37/01/98/473370198.db2.gz DIISJUBGKROVDR-UHFFFAOYSA-N 0 3 345.403 2.664 40 5 EFBBHN CCN(CC)CCOc1ccc2nc3ccc(Cl)cc3c(=O)n2n1 ZINC000005453541 471506512 /nfs/dbraw/zinc/50/65/12/471506512.db2.gz MVZKVIXFMJEUAJ-UHFFFAOYSA-N 0 3 346.818 2.617 40 5 EFBBHN C[C@H](NCCn1cnc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000180411291 473870375 /nfs/dbraw/zinc/87/03/75/473870375.db2.gz TYLKHGVMBGJFDL-ZDUSSCGKSA-N 0 3 338.367 2.656 40 5 EFBBHN Cc1ccc([C@H](O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000195531734 474089946 /nfs/dbraw/zinc/08/99/46/474089946.db2.gz SIHJJWKCFALFPP-NVXWUHKLSA-N 0 3 342.399 2.518 40 5 EFBBHN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2CC)c1 ZINC000253392774 474732220 /nfs/dbraw/zinc/73/22/20/474732220.db2.gz GHAOYIKVSHIVMY-CYBMUJFWSA-N 0 3 335.404 2.598 40 5 EFBBHN O=[N+]([O-])c1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1Cl ZINC000409341464 476981371 /nfs/dbraw/zinc/98/13/71/476981371.db2.gz BBNSYROPVBKTLJ-DUXPYHPUSA-N 0 3 338.663 2.528 40 5 EFBBHN C[C@@H](NCCn1cnc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000180411305 473871563 /nfs/dbraw/zinc/87/15/63/473871563.db2.gz TYLKHGVMBGJFDL-CYBMUJFWSA-N 0 3 338.367 2.656 40 5 EFBBHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](N)Cc1ccccc1 ZINC000195529654 474089434 /nfs/dbraw/zinc/08/94/34/474089434.db2.gz SMHSUUHOBVLGSZ-MRXNPFEDSA-N 0 3 347.802 2.777 40 5 EFBBHN Cc1ccc([N+](=O)[O-])c(N(C)C2CCN(CCn3cccn3)CC2)c1 ZINC000241515580 474556228 /nfs/dbraw/zinc/55/62/28/474556228.db2.gz OGIJGACZOIWFLB-UHFFFAOYSA-N 0 3 343.431 2.701 40 5 EFBBHN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004700662 210251582 /nfs/dbraw/zinc/25/15/82/210251582.db2.gz FAPKDRKTVSYZEC-LXZKKBNFSA-N 0 3 329.400 2.541 40 5 EFBBHN Cc1ccc(NCCNCCO)c2c(=O)c3ccccc3sc12 ZINC000004367231 210179782 /nfs/dbraw/zinc/17/97/82/210179782.db2.gz QDICDDBHUNGLMP-UHFFFAOYSA-N 0 3 328.437 2.717 40 5 EFBBHN Cc1ccc([C@@H](N)c2nc(COc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000095534153 473222976 /nfs/dbraw/zinc/22/29/76/473222976.db2.gz OZQKLCQCMNZRMW-MRXNPFEDSA-N 0 3 339.355 2.648 40 5 EFBBHN COCCCN1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000096412873 473392395 /nfs/dbraw/zinc/39/23/95/473392395.db2.gz UHULYOUKWIATOO-UHFFFAOYSA-N 0 3 328.800 2.556 40 5 EFBBHN N=C1N[C@H](c2ccccc2)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)S1 ZINC000059500977 472627651 /nfs/dbraw/zinc/62/76/51/472627651.db2.gz JBYIGAYUMMJVFC-HIFRSBDPSA-N 0 3 327.365 2.949 40 5 EFBBHN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H](CN2CCOCC2)C1 ZINC000093017168 473028742 /nfs/dbraw/zinc/02/87/42/473028742.db2.gz BQJGZBZXJNBOMS-PFWMLDTASA-N 0 3 345.443 2.652 40 5 EFBBHN COc1ccc(NC(=O)NCCN2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000040149917 213273362 /nfs/dbraw/zinc/27/33/62/213273362.db2.gz BMFCRKHYUUBBFH-LBPRGKRZSA-N 0 3 336.392 2.599 40 5 EFBBHN COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@H](N)Cc2ccccc2)n1 ZINC000095534928 473223947 /nfs/dbraw/zinc/22/39/47/473223947.db2.gz ZOLHDUAYJVJXIO-CQSZACIVSA-N 0 3 339.355 2.631 40 5 EFBBHN COc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2)c1OC ZINC000007276362 471604021 /nfs/dbraw/zinc/60/40/21/471604021.db2.gz DBVPMQCXCZYMEC-UHFFFAOYSA-N 0 3 331.372 2.814 40 5 EFBBHN O=C(CCN1CCCSCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000097103493 472448520 /nfs/dbraw/zinc/44/85/20/472448520.db2.gz 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