smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C(=O)Nc2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000024808131 182391682 /nfs/dbraw/zinc/39/16/82/182391682.db2.gz CUCGZAMOKPXRDF-UHFFFAOYSA-N 0 3 313.357 3.217 50 5 DGBAHN CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1 ZINC000040088673 183032955 /nfs/dbraw/zinc/03/29/55/183032955.db2.gz CTSBVQCWPZYDAF-KRWDZBQOSA-N 0 3 300.358 3.150 50 5 DGBAHN C[C@H]1CCC[C@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000000178694 431138717 /nfs/dbraw/zinc/13/87/17/431138717.db2.gz RFNWBFJIRUPYHH-RDJZCZTQSA-N 0 3 317.433 3.291 50 5 DGBAHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](CO)C2)o1 ZINC000004986603 431304249 /nfs/dbraw/zinc/30/42/49/431304249.db2.gz FJJOKZBVCRHNQS-ZDUSSCGKSA-N 0 3 316.357 3.059 50 5 DGBAHN CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000095430647 185362930 /nfs/dbraw/zinc/36/29/30/185362930.db2.gz VEHSYMDYJCHZNO-UHFFFAOYSA-N 0 3 317.345 3.039 50 5 DGBAHN C[C@H]1CCC[C@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000004170508 181081776 /nfs/dbraw/zinc/08/17/76/181081776.db2.gz OGZVPWVHKLFRRJ-RDJZCZTQSA-N 0 3 317.433 3.291 50 5 DGBAHN CSc1ccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000023409308 182360167 /nfs/dbraw/zinc/36/01/67/182360167.db2.gz GYRWRGMVFYOOCH-MRXNPFEDSA-N 0 3 318.398 3.140 50 5 DGBAHN O=[N+]([O-])c1cccnc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000040091219 183033490 /nfs/dbraw/zinc/03/34/90/183033490.db2.gz FSVQJOLITOLZBM-HNNXBMFYSA-N 0 3 312.373 3.066 50 5 DGBAHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccc(F)cc1 ZINC000058140428 184080236 /nfs/dbraw/zinc/08/02/36/184080236.db2.gz GYCPCKWLTNZWPG-UHFFFAOYSA-N 0 3 318.348 3.465 50 5 DGBAHN Cc1c([C@@H](C)NCCOc2cccnc2)cccc1[N+](=O)[O-] ZINC000096477689 431952772 /nfs/dbraw/zinc/95/27/72/431952772.db2.gz ALKJZCUVKMEVOO-CYBMUJFWSA-N 0 3 301.346 3.028 50 5 DGBAHN COc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000194993021 201322952 /nfs/dbraw/zinc/32/29/52/201322952.db2.gz QYWOFTOUCDYJNG-UHFFFAOYSA-N 0 3 316.357 3.334 50 5 DGBAHN Cc1c(CN2CCC(Cn3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000105887095 194157991 /nfs/dbraw/zinc/15/79/91/194157991.db2.gz FNUITLABFURYAD-UHFFFAOYSA-N 0 3 314.389 3.012 50 5 DGBAHN O=[N+]([O-])c1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000000178710 431139712 /nfs/dbraw/zinc/13/97/12/431139712.db2.gz JQDRKZZHLVIHBU-INIZCTEOSA-N 0 3 315.417 3.069 50 5 DGBAHN CC1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004981247 431303354 /nfs/dbraw/zinc/30/33/54/431303354.db2.gz CIKLPZZOYFLLRA-UHFFFAOYSA-N 0 3 303.406 3.296 50 5 DGBAHN C[C@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023674109 431639481 /nfs/dbraw/zinc/63/94/81/431639481.db2.gz QRCMMKXUUPZZIG-OAHLLOKOSA-N 0 3 311.385 3.478 50 5 DGBAHN C[C@@H]1CCC[C@@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000004170509 181081449 /nfs/dbraw/zinc/08/14/49/181081449.db2.gz OGZVPWVHKLFRRJ-NVXWUHKLSA-N 0 3 317.433 3.291 50 5 DGBAHN Cc1ccc([C@@](C)(O)CNCc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000187958148 200182795 /nfs/dbraw/zinc/18/27/95/200182795.db2.gz SGDCNXHZSFUANN-HNNXBMFYSA-N 0 3 324.764 3.147 50 5 DGBAHN Cc1ccc(OCCCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000020167583 292167379 /nfs/dbraw/zinc/16/73/79/292167379.db2.gz KXANABLAIKYKPF-GJZGRUSLSA-N 0 3 322.405 3.171 50 5 DGBAHN C[C@@H]1CCC[C@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000000178698 431139093 /nfs/dbraw/zinc/13/90/93/431139093.db2.gz RFNWBFJIRUPYHH-WBVHZDCISA-N 0 3 317.433 3.291 50 5 DGBAHN C[C@@H]1CCC[C@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000004170506 181081862 /nfs/dbraw/zinc/08/18/62/181081862.db2.gz OGZVPWVHKLFRRJ-WBVHZDCISA-N 0 3 317.433 3.291 50 5 DGBAHN O=[N+]([O-])c1ccc(Cl)c(CNCCN2CCCCCC2)c1 ZINC000040767750 183131306 /nfs/dbraw/zinc/13/13/06/183131306.db2.gz PJYVDNDIPVQGLV-UHFFFAOYSA-N 0 3 311.813 3.214 50 5 DGBAHN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]3CCCC[C@H]31)OCO2 ZINC000584904318 400124443 /nfs/dbraw/zinc/12/44/43/400124443.db2.gz KOIFVPRELHHJSH-GXTWGEPZSA-N 0 3 318.373 3.478 50 5 DGBAHN O=[N+]([O-])c1cccc(CN2CCN(C[C@H]3CC=CCC3)CC2)c1 ZINC000000178685 431139128 /nfs/dbraw/zinc/13/91/28/431139128.db2.gz JFEGLLUBAXAQPT-INIZCTEOSA-N 0 3 315.417 3.069 50 5 DGBAHN O=[N+]([O-])c1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000004724483 181142979 /nfs/dbraw/zinc/14/29/79/181142979.db2.gz GEDFCCOZVDRIBS-INIZCTEOSA-N 0 3 315.417 3.069 50 5 DGBAHN CSc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000023409311 182360175 /nfs/dbraw/zinc/36/01/75/182360175.db2.gz GYRWRGMVFYOOCH-INIZCTEOSA-N 0 3 318.398 3.140 50 5 DGBAHN C[C@H]1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000000178713 431140100 /nfs/dbraw/zinc/14/01/00/431140100.db2.gz ILOOTNORNYOVEY-MAUKXSAKSA-N 0 3 317.433 3.291 50 5 DGBAHN C[C@H]1CCC[C@@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000000178689 431139382 /nfs/dbraw/zinc/13/93/82/431139382.db2.gz RFNWBFJIRUPYHH-DOTOQJQBSA-N 0 3 317.433 3.291 50 5 DGBAHN CCCCCOc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-] ZINC000001827775 431237957 /nfs/dbraw/zinc/23/79/57/431237957.db2.gz IBZDVSPZSFPNTR-UHFFFAOYSA-N 0 3 323.418 3.356 50 5 DGBAHN C[C@@H]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000004007901 431295968 /nfs/dbraw/zinc/29/59/68/431295968.db2.gz WUWILQZPXWWLBC-PBHICJAKSA-N 0 3 303.406 3.296 50 5 DGBAHN CNc1ccc(CNCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000089396020 431864475 /nfs/dbraw/zinc/86/44/75/431864475.db2.gz YRTAROBYBFEEDV-UHFFFAOYSA-N 0 3 322.368 3.475 50 5 DGBAHN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000036396222 431839333 /nfs/dbraw/zinc/83/93/33/431839333.db2.gz ZAFLAACZZZPTMZ-OAHLLOKOSA-N 0 3 312.373 3.066 50 5 DGBAHN CN1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252523257 432383673 /nfs/dbraw/zinc/38/36/73/432383673.db2.gz CEYCKUBSMVORCQ-FUHWJXTLSA-N 0 3 311.385 3.130 50 5 DGBAHN CN(C)CCN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000000219887 289148085 /nfs/dbraw/zinc/14/80/85/289148085.db2.gz YJAFDYNHHXQGKC-UHFFFAOYSA-N 0 3 313.401 3.159 50 5 DGBAHN C[C@H]1CCC[C@@H](N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000004170511 181082145 /nfs/dbraw/zinc/08/21/45/181082145.db2.gz OGZVPWVHKLFRRJ-DOTOQJQBSA-N 0 3 317.433 3.291 50 5 DGBAHN O=[N+]([O-])c1cccnc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000040091220 183033364 /nfs/dbraw/zinc/03/33/64/183033364.db2.gz FSVQJOLITOLZBM-OAHLLOKOSA-N 0 3 312.373 3.066 50 5 DGBAHN O=[N+]([O-])c1ccc(NCCN2CCCCC2)c2ncccc12 ZINC000040119605 183037984 /nfs/dbraw/zinc/03/79/84/183037984.db2.gz BOOHUCPWCPDZPZ-UHFFFAOYSA-N 0 3 300.362 3.041 50 5 DGBAHN Cc1ccc([C@H](C)NCCC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000095420741 185360444 /nfs/dbraw/zinc/36/04/44/185360444.db2.gz RPDZKBFVAZUWNK-ZDUSSCGKSA-N 0 3 319.405 3.003 50 5 DGBAHN CC1CCC(N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000065538644 184363353 /nfs/dbraw/zinc/36/33/53/184363353.db2.gz OWRKAIKSOZQUAT-UHFFFAOYSA-N 0 3 320.389 3.472 50 5 DGBAHN CN(C)[C@H](CNCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000058172413 276865147 /nfs/dbraw/zinc/86/51/47/276865147.db2.gz PKUDNCIGQBFRDB-OAHLLOKOSA-N 0 3 305.403 3.049 50 5 DGBAHN O=[N+]([O-])c1ccccc1CNC[C@@H](O)c1ccc(Cl)cc1 ZINC000050015760 431945644 /nfs/dbraw/zinc/94/56/44/431945644.db2.gz DNQMHPYONSNIMI-OAHLLOKOSA-N 0 3 306.749 3.071 50 5 DGBAHN Cc1ccc(NC(=O)CN(C)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000039978297 183026528 /nfs/dbraw/zinc/02/65/28/183026528.db2.gz QRRGDXQTXPLUIC-UHFFFAOYSA-N 0 3 319.405 3.352 50 5 DGBAHN O=C1CCC([N+](=O)[O-])[C@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000000122528 431128609 /nfs/dbraw/zinc/12/86/09/431128609.db2.gz YXGFMZDPQSGLHY-RDJZCZTQSA-N 0 3 312.325 3.075 50 5 DGBAHN COc1cccc([C@@H](CNc2ccccc2[N+](=O)[O-])N(C)C)c1 ZINC000025280526 431651830 /nfs/dbraw/zinc/65/18/30/431651830.db2.gz PYLQOIZIFQAIKZ-QGZVFWFLSA-N 0 3 315.373 3.318 50 5 DGBAHN CCCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000004987557 181185131 /nfs/dbraw/zinc/18/51/31/181185131.db2.gz BJNIUGUNIMWEMW-UHFFFAOYSA-N 0 3 308.378 3.234 50 5 DGBAHN O=[N+]([O-])c1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000000178708 431139242 /nfs/dbraw/zinc/13/92/42/431139242.db2.gz JQDRKZZHLVIHBU-MRXNPFEDSA-N 0 3 315.417 3.069 50 5 DGBAHN C[C@@H]1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000000178715 431139837 /nfs/dbraw/zinc/13/98/37/431139837.db2.gz ILOOTNORNYOVEY-CRAIPNDOSA-N 0 3 317.433 3.291 50 5 DGBAHN COc1cccc([C@H](CNc2ccccc2[N+](=O)[O-])N(C)C)c1 ZINC000025280529 431651488 /nfs/dbraw/zinc/65/14/88/431651488.db2.gz PYLQOIZIFQAIKZ-KRWDZBQOSA-N 0 3 315.373 3.318 50 5 DGBAHN CN1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252523258 432383067 /nfs/dbraw/zinc/38/30/67/432383067.db2.gz CEYCKUBSMVORCQ-SJLPKXTDSA-N 0 3 311.385 3.130 50 5 DGBAHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)c1ccsc1)CCC2 ZINC000192886510 432425506 /nfs/dbraw/zinc/42/55/06/432425506.db2.gz FEHSHWYPVUQOGN-HZPDHXFCSA-N 0 3 318.398 3.357 50 5 DGBAHN CN1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000225845584 432700901 /nfs/dbraw/zinc/70/09/01/432700901.db2.gz CEYCKUBSMVORCQ-AEFFLSMTSA-N 0 3 311.385 3.130 50 5 DGBAHN O=[N+]([O-])c1ccccc1CN1CCN(C2CCCCC2)CC1 ZINC000004170514 181082076 /nfs/dbraw/zinc/08/20/76/181082076.db2.gz BLPIRIRAGNRVCV-UHFFFAOYSA-N 0 3 303.406 3.045 50 5 DGBAHN C[C@H]1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000000178718 431139720 /nfs/dbraw/zinc/13/97/20/431139720.db2.gz ILOOTNORNYOVEY-YJBOKZPZSA-N 0 3 317.433 3.291 50 5 DGBAHN C[C@H]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000004007902 431296621 /nfs/dbraw/zinc/29/66/21/431296621.db2.gz WUWILQZPXWWLBC-YOEHRIQHSA-N 0 3 303.406 3.296 50 5 DGBAHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)c1ccsc1)CCC2 ZINC000192886522 432426074 /nfs/dbraw/zinc/42/60/74/432426074.db2.gz FEHSHWYPVUQOGN-JKSUJKDBSA-N 0 3 318.398 3.357 50 5 DGBAHN Cc1ccc([C@H](C)NC[C@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000095422947 257253215 /nfs/dbraw/zinc/25/32/15/257253215.db2.gz IGUGHRHMWZZBNO-NHYWBVRUSA-N 0 3 306.387 3.349 50 5 DGBAHN Cc1ccc(OCCCCN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000020167576 292167390 /nfs/dbraw/zinc/16/73/90/292167390.db2.gz KXANABLAIKYKPF-HUUCEWRRSA-N 0 3 322.405 3.171 50 5 DGBAHN CC(C)[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000084456591 431825791 /nfs/dbraw/zinc/82/57/91/431825791.db2.gz UKQKIQUDHLLIAY-CQSZACIVSA-N 0 3 316.361 3.265 50 5 DGBAHN Cc1nc(N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000225532645 281978760 /nfs/dbraw/zinc/97/87/60/281978760.db2.gz UHIYKCSWILGEQR-CXAGYDPISA-N 0 3 314.389 3.402 50 5 DGBAHN O=[N+]([O-])c1ccc(CN2CCN(C3CCCCCC3)CC2)cc1 ZINC000004724868 181143306 /nfs/dbraw/zinc/14/33/06/181143306.db2.gz LCWZJWHFMBKSIL-UHFFFAOYSA-N 0 3 317.433 3.435 50 5 DGBAHN Cc1ccc([C@H](C)NC[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000095422949 257253280 /nfs/dbraw/zinc/25/32/80/257253280.db2.gz IGUGHRHMWZZBNO-XHDPSFHLSA-N 0 3 306.387 3.349 50 5 DGBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000000122541 431128686 /nfs/dbraw/zinc/12/86/86/431128686.db2.gz YXGFMZDPQSGLHY-NVXWUHKLSA-N 0 3 312.325 3.075 50 5 DGBAHN O=[N+]([O-])c1ccc(N2CCN(C3CCCCCC3)CC2)cc1 ZINC000004007870 431293716 /nfs/dbraw/zinc/29/37/16/431293716.db2.gz PDOWNUYTBHPRLO-UHFFFAOYSA-N 0 3 303.406 3.440 50 5 DGBAHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](CO)C2)o1 ZINC000004986607 431305475 /nfs/dbraw/zinc/30/54/75/431305475.db2.gz FJJOKZBVCRHNQS-CYBMUJFWSA-N 0 3 316.357 3.059 50 5 DGBAHN Cc1cc(OCCCCN2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000020168230 431623095 /nfs/dbraw/zinc/62/30/95/431623095.db2.gz FBRBKTKKCNXOFU-HUUCEWRRSA-N 0 3 322.405 3.171 50 5 DGBAHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCC[C@@H]2O)o1 ZINC000078724839 431698913 /nfs/dbraw/zinc/69/89/13/431698913.db2.gz VNCFERCIMHBZEE-HOCLYGCPSA-N 0 3 316.357 3.248 50 5 DGBAHN C[C@@H](COc1ccc(F)c(F)c1)NCc1ccccc1[N+](=O)[O-] ZINC000089511947 431868615 /nfs/dbraw/zinc/86/86/15/431868615.db2.gz YPTBAOIDGXDBLC-NSHDSACASA-N 0 3 322.311 3.430 50 5 DGBAHN Cc1c([C@H](C)NCCOc2cccnc2)cccc1[N+](=O)[O-] ZINC000096477691 431952892 /nfs/dbraw/zinc/95/28/92/431952892.db2.gz ALKJZCUVKMEVOO-ZDUSSCGKSA-N 0 3 301.346 3.028 50 5 DGBAHN Cc1nc(N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000225532615 432694769 /nfs/dbraw/zinc/69/47/69/432694769.db2.gz UHIYKCSWILGEQR-GUYCJALGSA-N 0 3 314.389 3.402 50 5 DGBAHN O=[N+]([O-])c1ccccc1CN1CCN(C2CCCCCC2)CC1 ZINC000004170516 181081950 /nfs/dbraw/zinc/08/19/50/181081950.db2.gz UBXWEOCOPBHLCJ-UHFFFAOYSA-N 0 3 317.433 3.435 50 5 DGBAHN CC1CCC(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000004724705 181143116 /nfs/dbraw/zinc/14/31/16/181143116.db2.gz AIZNLBWKRNFNJD-UHFFFAOYSA-N 0 3 317.433 3.291 50 5 DGBAHN CCN(CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000024928660 182395227 /nfs/dbraw/zinc/39/52/27/182395227.db2.gz NDCMRONIARHVNP-UHFFFAOYSA-N 0 3 317.345 3.282 50 5 DGBAHN Cc1nc(N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000225532585 256596520 /nfs/dbraw/zinc/59/65/20/256596520.db2.gz UHIYKCSWILGEQR-SUMWQHHRSA-N 0 3 314.389 3.402 50 5 DGBAHN O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000004333440 431296106 /nfs/dbraw/zinc/29/61/06/431296106.db2.gz PWHSZODVBZRUQR-HNNXBMFYSA-N 0 3 301.390 3.073 50 5 DGBAHN O=[N+]([O-])c1ccc(N2CCN(CC3CCCCC3)CC2)cc1 ZINC000004980813 431305265 /nfs/dbraw/zinc/30/52/65/431305265.db2.gz ZNPYASUNUPFMLC-UHFFFAOYSA-N 0 3 303.406 3.297 50 5 DGBAHN O=[N+]([O-])c1ccccc1OCCCN1CCc2ccccc2C1 ZINC000005013270 431305501 /nfs/dbraw/zinc/30/55/01/431305501.db2.gz WBFMMRJWYYZBCE-UHFFFAOYSA-N 0 3 312.369 3.422 50 5 DGBAHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCCC[C@H]2O)o1 ZINC000078724842 431700605 /nfs/dbraw/zinc/70/06/05/431700605.db2.gz VNCFERCIMHBZEE-GOEBONIOSA-N 0 3 316.357 3.248 50 5 DGBAHN C[C@H](NCCc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000089904920 431884658 /nfs/dbraw/zinc/88/46/58/431884658.db2.gz KPQWSACZRQXAJR-ZDUSSCGKSA-N 0 3 310.357 3.136 50 5 DGBAHN CCOc1cccc(NC2CCN(C3CC3)CC2)c1[N+](=O)[O-] ZINC000095941107 431927165 /nfs/dbraw/zinc/92/71/65/431927165.db2.gz NRABHQIXWFIFRR-UHFFFAOYSA-N 0 3 305.378 3.032 50 5 DGBAHN c1ccc2cc3c(cc2c1)nccc3NCCN1CCOCC1 ZINC000000196200 431144265 /nfs/dbraw/zinc/14/42/65/431144265.db2.gz PLCWPZZXOZWYJR-UHFFFAOYSA-N 0 3 307.397 3.132 50 5 aggregator DGBAHN CC(C)CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000032926823 431801266 /nfs/dbraw/zinc/80/12/66/431801266.db2.gz LBQBYTRVJHGIJA-UHFFFAOYSA-N 0 3 317.393 3.177 50 5 DGBAHN CN(C)[C@@H](CNCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000058172338 184084237 /nfs/dbraw/zinc/08/42/37/184084237.db2.gz PDHVGKRBDJCLEL-HNNXBMFYSA-N 0 3 305.403 3.049 50 5 DGBAHN CN(C)[C@@H](CNCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000058172412 184084436 /nfs/dbraw/zinc/08/44/36/184084436.db2.gz PKUDNCIGQBFRDB-HNNXBMFYSA-N 0 3 305.403 3.049 50 5 DGBAHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](CC(C)C)N(C)C ZINC000060358334 184146629 /nfs/dbraw/zinc/14/66/29/184146629.db2.gz GZRFSCQMAZJPQJ-INIZCTEOSA-N 0 3 323.437 3.059 50 5 DGBAHN COc1cc(CNC2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000000263064 431157289 /nfs/dbraw/zinc/15/72/89/431157289.db2.gz CRPHJWABDOKNBZ-UHFFFAOYSA-N 0 3 308.378 3.424 50 5 DGBAHN O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000004333442 431296609 /nfs/dbraw/zinc/29/66/09/431296609.db2.gz PWHSZODVBZRUQR-OAHLLOKOSA-N 0 3 301.390 3.073 50 5 DGBAHN CC[C@@H](CO)N(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000096012855 431934052 /nfs/dbraw/zinc/93/40/52/431934052.db2.gz SVLQVUUONXBFNQ-KRWDZBQOSA-N 0 3 314.385 3.368 50 5 DGBAHN Cc1ccc([C@@H](C)NCCC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000095420740 185360321 /nfs/dbraw/zinc/36/03/21/185360321.db2.gz RPDZKBFVAZUWNK-CYBMUJFWSA-N 0 3 319.405 3.003 50 5 DGBAHN CC(=O)c1ccc(N(C)C2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000024208143 182376665 /nfs/dbraw/zinc/37/66/65/182376665.db2.gz GECZTMFGXWYWNB-UHFFFAOYSA-N 0 3 319.405 3.106 50 5 DGBAHN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]3CCCC[C@@H]31)OCO2 ZINC000023281622 400208842 /nfs/dbraw/zinc/20/88/42/400208842.db2.gz KOIFVPRELHHJSH-OCCSQVGLSA-N 0 3 318.373 3.478 50 5 DGBAHN O=C1CCC([N+](=O)[O-])[C@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000000122538 431129375 /nfs/dbraw/zinc/12/93/75/431129375.db2.gz YXGFMZDPQSGLHY-WBVHZDCISA-N 0 3 312.325 3.075 50 5 DGBAHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCC[C@H]2O)o1 ZINC000078724841 431699614 /nfs/dbraw/zinc/69/96/14/431699614.db2.gz VNCFERCIMHBZEE-GDBMZVCRSA-N 0 3 316.357 3.248 50 5 DGBAHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)c1ccsc1)CCC2 ZINC000192886481 432425786 /nfs/dbraw/zinc/42/57/86/432425786.db2.gz FEHSHWYPVUQOGN-CVEARBPZSA-N 0 3 318.398 3.357 50 5 DGBAHN CC(C)[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000063618904 184285670 /nfs/dbraw/zinc/28/56/70/184285670.db2.gz UKQKIQUDHLLIAY-AWEZNQCLSA-N 0 3 316.361 3.265 50 5 DGBAHN COc1cc(CN[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000004685509 400084717 /nfs/dbraw/zinc/08/47/17/400084717.db2.gz NCSJCDQLPKXYEU-AAEUAGOBSA-N 0 3 308.378 3.280 50 5 DGBAHN O=c1cc(CNC[C@H]2CCCO2)c2c(ccc3ccccc32)o1 ZINC000007987486 431375045 /nfs/dbraw/zinc/37/50/45/431375045.db2.gz QSSCTYXVPCTLEC-OAHLLOKOSA-N 0 3 309.365 3.215 50 5 DGBAHN C[C@H](COc1ccc(F)c(F)c1)NCc1ccccc1[N+](=O)[O-] ZINC000089511948 431868800 /nfs/dbraw/zinc/86/88/00/431868800.db2.gz YPTBAOIDGXDBLC-LLVKDONJSA-N 0 3 322.311 3.430 50 5 DGBAHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC(C)C)C(C)C ZINC000058158618 431995782 /nfs/dbraw/zinc/99/57/82/431995782.db2.gz YEXPLSGIMOOXRY-UHFFFAOYSA-N 0 3 307.394 3.208 50 5 DGBAHN CN1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000225845561 432700656 /nfs/dbraw/zinc/70/06/56/432700656.db2.gz CEYCKUBSMVORCQ-WMZOPIPTSA-N 0 3 311.385 3.130 50 5 DGBAHN O=[N+]([O-])c1ccc2cnn(CN(C3CC3)C3CCCC3)c2c1 ZINC000032923200 285147860 /nfs/dbraw/zinc/14/78/60/285147860.db2.gz GYBPBJVNASLCSQ-UHFFFAOYSA-N 0 3 300.362 3.309 50 5 DGBAHN O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)N2CCCC2)nc1 ZINC000012848857 431532551 /nfs/dbraw/zinc/53/25/51/431532551.db2.gz RMPLRADJVBBNOE-MRXNPFEDSA-N 0 3 312.373 3.239 50 5 DGBAHN O=[N+]([O-])c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000036396221 431839693 /nfs/dbraw/zinc/83/96/93/431839693.db2.gz ZAFLAACZZZPTMZ-HNNXBMFYSA-N 0 3 312.373 3.066 50 5 DGBAHN CN(C)CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000000234500 289148064 /nfs/dbraw/zinc/14/80/64/289148064.db2.gz RTRVJEAWGUXYQR-UHFFFAOYSA-N 0 3 313.401 3.159 50 5 DGBAHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(F)cc1 ZINC000017030890 182068759 /nfs/dbraw/zinc/06/87/59/182068759.db2.gz JZVNJIAQNLSUNW-UHFFFAOYSA-N 0 3 303.293 3.364 50 5 DGBAHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccccc1 ZINC000020388220 182213811 /nfs/dbraw/zinc/21/38/11/182213811.db2.gz GMRNMZCWTNASCB-UHFFFAOYSA-N 0 3 300.358 3.326 50 5 DGBAHN O=[N+]([O-])c1cccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)c1 ZINC000000178683 431138819 /nfs/dbraw/zinc/13/88/19/431138819.db2.gz JFEGLLUBAXAQPT-MRXNPFEDSA-N 0 3 315.417 3.069 50 5 DGBAHN C[C@H]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000004007904 431296723 /nfs/dbraw/zinc/29/67/23/431296723.db2.gz WUWILQZPXWWLBC-WMLDXEAASA-N 0 3 303.406 3.296 50 5 DGBAHN CC1CCC(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000004170515 181081972 /nfs/dbraw/zinc/08/19/72/181081972.db2.gz PVENCKLVDNSYBW-UHFFFAOYSA-N 0 3 317.433 3.291 50 5 DGBAHN O=[N+]([O-])c1c(NC2CCN(C3CC3)CC2)ccc2ncccc21 ZINC000042109866 183232904 /nfs/dbraw/zinc/23/29/04/183232904.db2.gz GYRUFQDLYUKSSL-UHFFFAOYSA-N 0 3 312.373 3.182 50 5 DGBAHN O=[N+]([O-])c1ccc(N2CCC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000048274228 275036136 /nfs/dbraw/zinc/03/61/36/275036136.db2.gz NKTAWLATXWPPAK-CYBMUJFWSA-N 0 3 309.797 3.313 50 5 DGBAHN O=C1CCC([N+](=O)[O-])[C@@H](c2cccc(Oc3ccccc3)c2)N1 ZINC000000122534 431128397 /nfs/dbraw/zinc/12/83/97/431128397.db2.gz YXGFMZDPQSGLHY-DOTOQJQBSA-N 0 3 312.325 3.075 50 5 DGBAHN O=[N+]([O-])c1ccc(CN2CCN(C3CCCCC3)CC2)cc1 ZINC000000178723 431139748 /nfs/dbraw/zinc/13/97/48/431139748.db2.gz CFOIMEJNDQNCDL-UHFFFAOYSA-N 0 3 303.406 3.045 50 5 DGBAHN Cc1c(CN2CCC[C@@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000080959127 431780511 /nfs/dbraw/zinc/78/05/11/431780511.db2.gz JVHCBOAMCFPFCP-CQSZACIVSA-N 0 3 300.362 3.006 50 5 DGBAHN CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000048340444 431923937 /nfs/dbraw/zinc/92/39/37/431923937.db2.gz LHOOJMSYJCXHEC-UHFFFAOYSA-N 0 3 315.377 3.075 50 5 DGBAHN O=[N+]([O-])c1cccc(CN2CCN(C3CCCCC3)CC2)c1 ZINC000000178702 431139166 /nfs/dbraw/zinc/13/91/66/431139166.db2.gz WKMDVUJITZXPFH-UHFFFAOYSA-N 0 3 303.406 3.045 50 5 DGBAHN Cc1c(CN2CCC[C@H](c3ncc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000080959126 431780691 /nfs/dbraw/zinc/78/06/91/431780691.db2.gz JVHCBOAMCFPFCP-AWEZNQCLSA-N 0 3 300.362 3.006 50 5 DGBAHN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C1CC1)C1CC1 ZINC000050989515 431949602 /nfs/dbraw/zinc/94/96/02/431949602.db2.gz ZMXGZWPOVJDNMZ-UHFFFAOYSA-N 0 3 318.373 3.082 50 5 DGBAHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCCCC1 ZINC000083862642 545781439 /nfs/dbraw/zinc/78/14/39/545781439.db2.gz OREDHKDOYVRHOL-UHFFFAOYSA-N 0 3 319.405 3.238 50 5 DGBAHN CCOc1cccc(CNCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000006870582 190625606 /nfs/dbraw/zinc/62/56/06/190625606.db2.gz WNDOCTZDEOUJOY-UHFFFAOYSA-N 0 3 315.373 3.195 50 5 DGBAHN O=[N+]([O-])c1cccnc1NC1CCN(Cc2ccccc2)CC1 ZINC000004364661 181102888 /nfs/dbraw/zinc/10/28/88/181102888.db2.gz UIBJMSJDIJXDTQ-UHFFFAOYSA-N 0 3 312.373 3.066 50 5 DGBAHN Cc1cc(C(=O)Nc2ccccc2CN(C)C)ccc1[N+](=O)[O-] ZINC000024644528 182385925 /nfs/dbraw/zinc/38/59/25/182385925.db2.gz GRQBDFYYMZJZAZ-UHFFFAOYSA-N 0 3 313.357 3.217 50 5 DGBAHN C[C@@H]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000004007903 431296752 /nfs/dbraw/zinc/29/67/52/431296752.db2.gz WUWILQZPXWWLBC-RHSMWYFYSA-N 0 3 303.406 3.296 50 5 DGBAHN OCCN1CCN(Cc2c3ccccc3cc3ccccc32)CC1 ZINC000019633383 431618431 /nfs/dbraw/zinc/61/84/31/431618431.db2.gz SPDGPTKOTPMZBV-UHFFFAOYSA-N 0 3 320.436 3.103 50 5 DGBAHN C[C@@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000023674112 431641072 /nfs/dbraw/zinc/64/10/72/431641072.db2.gz QRCMMKXUUPZZIG-HNNXBMFYSA-N 0 3 311.385 3.478 50 5 DGBAHN O=[N+]([O-])c1ccc(N[C@@H](CN2CCCC2)c2ccccc2)nc1 ZINC000029526871 431723832 /nfs/dbraw/zinc/72/38/32/431723832.db2.gz QDYRXBFKUWFQLI-INIZCTEOSA-N 0 3 312.373 3.239 50 5 DGBAHN O=[N+]([O-])c1ccc(N2CCC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000048274226 285124240 /nfs/dbraw/zinc/12/42/40/285124240.db2.gz NKTAWLATXWPPAK-ZDUSSCGKSA-N 0 3 309.797 3.313 50 5 DGBAHN COc1cc(CN[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000004685511 400085043 /nfs/dbraw/zinc/08/50/43/400085043.db2.gz NCSJCDQLPKXYEU-WCQYABFASA-N 0 3 308.378 3.280 50 5 DGBAHN C[C@@H]1CCC[C@@H](N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000000178692 431139789 /nfs/dbraw/zinc/13/97/89/431139789.db2.gz RFNWBFJIRUPYHH-NVXWUHKLSA-N 0 3 317.433 3.291 50 5 DGBAHN O=c1cc(CNC[C@@H]2CCCO2)c2c(ccc3ccccc32)o1 ZINC000007987485 431374999 /nfs/dbraw/zinc/37/49/99/431374999.db2.gz QSSCTYXVPCTLEC-HNNXBMFYSA-N 0 3 309.365 3.215 50 5 DGBAHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCCC[C@@H]2O)o1 ZINC000078724837 431700141 /nfs/dbraw/zinc/70/01/41/431700141.db2.gz VNCFERCIMHBZEE-ZBFHGGJFSA-N 0 3 316.357 3.248 50 5 DGBAHN CN1CCC(NC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000054147957 431967827 /nfs/dbraw/zinc/96/78/27/431967827.db2.gz IFMMUAXZLSPUOU-UHFFFAOYSA-N 0 3 319.408 3.212 50 5 DGBAHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CC(C)C)N(C)C ZINC000060358333 431998901 /nfs/dbraw/zinc/99/89/01/431998901.db2.gz GZRFSCQMAZJPQJ-MRXNPFEDSA-N 0 3 323.437 3.059 50 5 DGBAHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)c1ccsc1)CCC2 ZINC000192886497 432425874 /nfs/dbraw/zinc/42/58/74/432425874.db2.gz FEHSHWYPVUQOGN-HOTGVXAUSA-N 0 3 318.398 3.357 50 5 DGBAHN CC1CCC(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000004170526 181082105 /nfs/dbraw/zinc/08/21/05/181082105.db2.gz WIGYKFDFEQOAPR-UHFFFAOYSA-N 0 3 317.433 3.291 50 5 DGBAHN CN(C)[C@H](CNCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000058172342 184084191 /nfs/dbraw/zinc/08/41/91/184084191.db2.gz PDHVGKRBDJCLEL-OAHLLOKOSA-N 0 3 305.403 3.049 50 5 DGBAHN C[C@@H]1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000000178719 431140427 /nfs/dbraw/zinc/14/04/27/431140427.db2.gz ILOOTNORNYOVEY-QAPCUYQASA-N 0 3 317.433 3.291 50 5 DGBAHN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]3CCCC[C@@H]31)OCO2 ZINC000023281620 400208862 /nfs/dbraw/zinc/20/88/62/400208862.db2.gz KOIFVPRELHHJSH-JSGCOSHPSA-N 0 3 318.373 3.478 50 5 DGBAHN Cc1cc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000014083960 431574880 /nfs/dbraw/zinc/57/48/80/431574880.db2.gz FBRBKTKKCNXOFU-GASCZTMLSA-N 0 3 322.405 3.171 50 5 DGBAHN O=[N+]([O-])c1cccc(CN2CCN(C3CCCCCC3)CC2)c1 ZINC000004724563 181142823 /nfs/dbraw/zinc/14/28/23/181142823.db2.gz YXAXQINPSUKXCW-UHFFFAOYSA-N 0 3 317.433 3.435 50 5 DGBAHN O=[N+]([O-])c1ccccc1CN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000004724485 181142897 /nfs/dbraw/zinc/14/28/97/181142897.db2.gz GEDFCCOZVDRIBS-MRXNPFEDSA-N 0 3 315.417 3.069 50 5 DGBAHN Cc1ccc([C@](C)(O)CNCc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000187958126 200183443 /nfs/dbraw/zinc/18/34/43/200183443.db2.gz SGDCNXHZSFUANN-OAHLLOKOSA-N 0 3 324.764 3.147 50 5 DGBAHN O=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)c2ncccc12 ZINC000024201339 182376517 /nfs/dbraw/zinc/37/65/17/182376517.db2.gz PKKVFFRNHNALTK-UHFFFAOYSA-N 0 3 312.373 3.182 50 5 DGBAHN Cc1nc2ccccc2n1CCNCc1ccccc1[N+](=O)[O-] ZINC000057338321 184033692 /nfs/dbraw/zinc/03/36/92/184033692.db2.gz MXJCVAWKLSDIHE-UHFFFAOYSA-N 0 3 310.357 3.043 50 5 DGBAHN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]3CCCC[C@H]31)OCO2 ZINC000584904319 400124627 /nfs/dbraw/zinc/12/46/27/400124627.db2.gz KOIFVPRELHHJSH-TZMCWYRMSA-N 0 3 318.373 3.478 50 5 DGBAHN O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)N2CCCC2)nc1 ZINC000012848862 431530940 /nfs/dbraw/zinc/53/09/40/431530940.db2.gz RMPLRADJVBBNOE-INIZCTEOSA-N 0 3 312.373 3.239 50 5 DGBAHN Cc1nc(N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000225532675 432694874 /nfs/dbraw/zinc/69/48/74/432694874.db2.gz UHIYKCSWILGEQR-DYVFJYSZSA-N 0 3 314.389 3.402 50 5 DGBAHN COc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000005460775 181246346 /nfs/dbraw/zinc/24/63/46/181246346.db2.gz WFOUHKMGQOYIMZ-UHFFFAOYSA-N 0 3 316.313 3.173 50 5 DGBAHN Cc1cc(OCCCCN2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000020168234 182194574 /nfs/dbraw/zinc/19/45/74/182194574.db2.gz FBRBKTKKCNXOFU-GJZGRUSLSA-N 0 3 322.405 3.171 50 5 DGBAHN CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1 ZINC000040088674 183032985 /nfs/dbraw/zinc/03/29/85/183032985.db2.gz CTSBVQCWPZYDAF-QGZVFWFLSA-N 0 3 300.358 3.150 50 5 DGBAHN CCN1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000019371347 276196439 /nfs/dbraw/zinc/19/64/39/276196439.db2.gz JJZFBWRNZPDTJC-UHFFFAOYSA-N 0 3 322.408 3.084 50 5 DGBAHN C[C@@H](NCCc1cn2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000089904921 431884578 /nfs/dbraw/zinc/88/45/78/431884578.db2.gz KPQWSACZRQXAJR-CYBMUJFWSA-N 0 3 310.357 3.136 50 5 DGBAHN Cc1ccc(NC(=O)CN(C(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000058392285 431996397 /nfs/dbraw/zinc/99/63/97/431996397.db2.gz ULOPSPKJQMPJQZ-UHFFFAOYSA-N 0 3 319.405 3.495 50 5 DGBAHN COc1cc(CN[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000004685508 400085060 /nfs/dbraw/zinc/08/50/60/400085060.db2.gz NCSJCDQLPKXYEU-YPMHNXCESA-N 0 3 308.378 3.280 50 5 DGBAHN O=[N+]([O-])c1ccccc1CNC[C@H](O)c1ccc(Cl)cc1 ZINC000050015759 431945278 /nfs/dbraw/zinc/94/52/78/431945278.db2.gz DNQMHPYONSNIMI-HNNXBMFYSA-N 0 3 306.749 3.071 50 5 DGBAHN Cc1ccc([C@@H](C)NC[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000095422948 257252988 /nfs/dbraw/zinc/25/29/88/257252988.db2.gz IGUGHRHMWZZBNO-IAQYHMDHSA-N 0 3 306.387 3.349 50 5 DGBAHN Cc1ccc([C@@H](C)NC[C@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000095422946 257253180 /nfs/dbraw/zinc/25/31/80/257253180.db2.gz IGUGHRHMWZZBNO-ABAIWWIYSA-N 0 3 306.387 3.349 50 5 DGBAHN COc1cc(CN[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000004685510 400084640 /nfs/dbraw/zinc/08/46/40/400084640.db2.gz NCSJCDQLPKXYEU-DGCLKSJQSA-N 0 3 308.378 3.280 50 5 DGBAHN Cc1ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000016247632 431613719 /nfs/dbraw/zinc/61/37/19/431613719.db2.gz KXANABLAIKYKPF-GASCZTMLSA-N 0 3 322.405 3.171 50 5 DGBAHN O=[N+]([O-])c1ccc(N[C@H](CN2CCCC2)c2ccccc2)nc1 ZINC000029526873 431723053 /nfs/dbraw/zinc/72/30/53/431723053.db2.gz QDYRXBFKUWFQLI-MRXNPFEDSA-N 0 3 312.373 3.239 50 5 DGBAHN Cc1ccc(O)c(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000096456856 431951529 /nfs/dbraw/zinc/95/15/29/431951529.db2.gz JDXXJWOQDDLVSY-UHFFFAOYSA-N 0 3 301.346 3.029 50 5 DGBAHN