smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@]1(F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000334539008 343890401 /nfs/dbraw/zinc/89/04/01/343890401.db2.gz CPKJDRKKNNYMMA-GFCCVEGCSA-N 1 2 238.262 2.529 20 5 BFBDLO C[C@@]1(F)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000334539008 343890402 /nfs/dbraw/zinc/89/04/02/343890402.db2.gz CPKJDRKKNNYMMA-GFCCVEGCSA-N 1 2 238.262 2.529 20 5 BFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](F)C1 ZINC000334810573 343909135 /nfs/dbraw/zinc/90/91/35/343909135.db2.gz KIEYLICGIXUNQZ-KOLCDFICSA-N 1 2 238.262 2.700 20 5 BFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](F)C1 ZINC000334810573 343909137 /nfs/dbraw/zinc/90/91/37/343909137.db2.gz KIEYLICGIXUNQZ-KOLCDFICSA-N 1 2 238.262 2.700 20 5 BFBDLO CC1(C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000081046063 345459712 /nfs/dbraw/zinc/45/97/12/345459712.db2.gz BREDCGMUEQUECQ-UHFFFAOYSA-N 1 2 226.301 2.641 20 5 BFBDLO CC1(C)CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000081046063 345459713 /nfs/dbraw/zinc/45/97/13/345459713.db2.gz BREDCGMUEQUECQ-UHFFFAOYSA-N 1 2 226.301 2.641 20 5 BFBDLO CCCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599035380 349080134 /nfs/dbraw/zinc/08/01/34/349080134.db2.gz KZSYDISGUYKZLJ-UHFFFAOYSA-N 1 2 245.282 2.989 20 5 BFBDLO Cc1c[nH+]cc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000119625954 384753481 /nfs/dbraw/zinc/75/34/81/384753481.db2.gz FSBUDWJWKFAUIG-UHFFFAOYSA-N 1 2 243.266 2.910 20 5 BFBDLO Cc1cc[nH+]cc1NCc1ccc([N+](=O)[O-])cc1 ZINC000071413553 384883166 /nfs/dbraw/zinc/88/31/66/384883166.db2.gz OGKGWIBFHISYMC-UHFFFAOYSA-N 1 2 243.266 2.910 20 5 BFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000271683920 388399239 /nfs/dbraw/zinc/39/92/39/388399239.db2.gz ZSAJIYFEXYQUCN-UHFFFAOYSA-N 1 2 236.246 2.654 20 5 BFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000271683920 388399242 /nfs/dbraw/zinc/39/92/42/388399242.db2.gz ZSAJIYFEXYQUCN-UHFFFAOYSA-N 1 2 236.246 2.654 20 5 BFBDLO CNc1ccc(Nc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000048608246 173480209 /nfs/dbraw/zinc/48/02/09/173480209.db2.gz SJXFBIIQYCTVJF-UHFFFAOYSA-N 1 2 244.254 2.775 20 5 BFBDLO Cc1ccc[nH+]c1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209932275 969695276 /nfs/dbraw/zinc/69/52/76/969695276.db2.gz NALPOLUEFYIHKR-UHFFFAOYSA-N 1 2 244.254 2.624 20 5 BFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](F)C1 ZINC000334700570 343904021 /nfs/dbraw/zinc/90/40/21/343904021.db2.gz KCMRGOYJJTXBHZ-UWVGGRQHSA-N 1 2 238.262 2.700 20 5 BFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](F)C1 ZINC000334700570 343904024 /nfs/dbraw/zinc/90/40/24/343904024.db2.gz KCMRGOYJJTXBHZ-UWVGGRQHSA-N 1 2 238.262 2.700 20 5 BFBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000338922450 344591095 /nfs/dbraw/zinc/59/10/95/344591095.db2.gz XTVHBDMVIIPUBY-UHFFFAOYSA-N 1 2 238.287 2.531 20 5 BFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC000580187793 346636524 /nfs/dbraw/zinc/63/65/24/346636524.db2.gz BSLWJXIBBVKYSZ-UHFFFAOYSA-N 1 2 238.287 2.531 20 5 BFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC000580187793 346636527 /nfs/dbraw/zinc/63/65/27/346636527.db2.gz BSLWJXIBBVKYSZ-UHFFFAOYSA-N 1 2 238.287 2.531 20 5 BFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCCC3)c2c1 ZINC000413025542 191343832 /nfs/dbraw/zinc/34/38/32/191343832.db2.gz QJXUDHHGKWRDCR-UHFFFAOYSA-N 1 2 243.266 2.743 20 5 BFBDLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000228505990 372039333 /nfs/dbraw/zinc/03/93/33/372039333.db2.gz MWJSVZOLJGWJBM-HTQZYQBOSA-N 1 2 244.241 2.899 20 5 BFBDLO CCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285849108 169079798 /nfs/dbraw/zinc/07/97/98/169079798.db2.gz CUSCBWLXDCVCHV-UHFFFAOYSA-N 1 2 244.241 2.715 20 5 BFBDLO CCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285849108 169079801 /nfs/dbraw/zinc/07/98/01/169079801.db2.gz CUSCBWLXDCVCHV-UHFFFAOYSA-N 1 2 244.241 2.715 20 5 BFBDLO CC[C@@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339031293 383891238 /nfs/dbraw/zinc/89/12/38/383891238.db2.gz DRGKWMPSXWEESD-SECBINFHSA-N 1 2 238.287 2.531 20 5 BFBDLO CC[C@@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339031293 383891244 /nfs/dbraw/zinc/89/12/44/383891244.db2.gz DRGKWMPSXWEESD-SECBINFHSA-N 1 2 238.287 2.531 20 5 BFBDLO Cn1cc[nH+]c1CSc1cccc([N+](=O)[O-])c1 ZINC000337757982 384882649 /nfs/dbraw/zinc/88/26/49/384882649.db2.gz NBALSEXBYYCKKB-UHFFFAOYSA-N 1 2 249.295 2.621 20 5 BFBDLO O=[N+]([O-])c1ccc(COc2cc[nH+]cc2)cc1 ZINC000431478892 388731741 /nfs/dbraw/zinc/73/17/41/388731741.db2.gz UUXYRKJGSQVDEF-UHFFFAOYSA-N 1 2 230.223 2.569 20 5 BFBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000339564004 176301259 /nfs/dbraw/zinc/30/12/59/176301259.db2.gz OMQKFEQTGLRXQE-RKDXNWHRSA-N 1 2 238.262 2.574 20 5 BFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC000339564004 176301260 /nfs/dbraw/zinc/30/12/60/176301260.db2.gz OMQKFEQTGLRXQE-RKDXNWHRSA-N 1 2 238.262 2.574 20 5 BFBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCF)C1CC1 ZINC000749528747 585203324 /nfs/dbraw/zinc/20/33/24/585203324.db2.gz KKDABGUIIUQJAE-UHFFFAOYSA-N 1 2 238.262 2.529 20 5 BFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCF)C1CC1 ZINC000749528747 585203325 /nfs/dbraw/zinc/20/33/25/585203325.db2.gz KKDABGUIIUQJAE-UHFFFAOYSA-N 1 2 238.262 2.529 20 5 BFBDLO C[C@H](c1ccccc1Cl)[N@H+](C)CC[N+](=O)[O-] ZINC000791053217 585973396 /nfs/dbraw/zinc/97/33/96/585973396.db2.gz JQPHQPAAFNJDRP-SECBINFHSA-N 1 2 242.706 2.610 20 5 BFBDLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053217 585973397 /nfs/dbraw/zinc/97/33/97/585973397.db2.gz JQPHQPAAFNJDRP-SECBINFHSA-N 1 2 242.706 2.610 20 5 BFBDLO C[N@H+](C/C=C\Cl)Cc1ccccc1[N+](=O)[O-] ZINC000255171363 643847511 /nfs/dbraw/zinc/84/75/11/643847511.db2.gz IAOVQUHVZAGYFV-DAXSKMNVSA-N 1 2 240.690 2.779 20 5 BFBDLO C[N@@H+](C/C=C\Cl)Cc1ccccc1[N+](=O)[O-] ZINC000255171363 643847512 /nfs/dbraw/zinc/84/75/12/643847512.db2.gz IAOVQUHVZAGYFV-DAXSKMNVSA-N 1 2 240.690 2.779 20 5 BFBDLO Cc1cc(C)[nH+]c(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001203560795 966690343 /nfs/dbraw/zinc/69/03/43/966690343.db2.gz PQCCMJQCJXWPML-UHFFFAOYSA-N 1 2 244.254 2.745 20 5 BFBDLO COc1cc[nH+]cc1Nc1ccccc1[N+](=O)[O-] ZINC001206144480 968088566 /nfs/dbraw/zinc/08/85/66/968088566.db2.gz LYWPONZSNISTIC-UHFFFAOYSA-N 1 2 245.238 2.742 20 5 BFBDLO C[C@@H](Nc1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000070444395 345714367 /nfs/dbraw/zinc/71/43/67/345714367.db2.gz XNFPGCQXSZZYFQ-SECBINFHSA-N 1 2 246.270 2.501 20 5 BFBDLO CCC(F)(F)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598996282 349073553 /nfs/dbraw/zinc/07/35/53/349073553.db2.gz FNYMDHHSFPTXNB-UHFFFAOYSA-N 1 2 244.241 2.730 20 5 BFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000389483303 352352540 /nfs/dbraw/zinc/35/25/40/352352540.db2.gz ITPNBZHMGISZTH-QMMMGPOBSA-N 1 2 244.241 2.728 20 5 BFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000389483288 352352684 /nfs/dbraw/zinc/35/26/84/352352684.db2.gz ITPNBZHMGISZTH-MRVPVSSYSA-N 1 2 244.241 2.728 20 5 BFBDLO O=[N+]([O-])c1ccccc1CNc1cccc[nH+]1 ZINC000048337288 353156729 /nfs/dbraw/zinc/15/67/29/353156729.db2.gz YFSGRHJVOFBVJR-UHFFFAOYSA-N 1 2 229.239 2.602 20 5 BFBDLO CC(C)c1[nH+]cc(-c2ccc([N+](=O)[O-])nc2)n1C ZINC000600845595 371706845 /nfs/dbraw/zinc/70/68/45/371706845.db2.gz POGPSFXNEPGLSV-UHFFFAOYSA-N 1 2 246.270 2.514 20 5 BFBDLO C[C@@]1(F)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000334439643 383877096 /nfs/dbraw/zinc/87/70/96/383877096.db2.gz VBFJGPJXITZJNQ-GFCCVEGCSA-N 1 2 238.262 2.529 20 5 BFBDLO C[C@@]1(F)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000334439643 383877105 /nfs/dbraw/zinc/87/71/05/383877105.db2.gz VBFJGPJXITZJNQ-GFCCVEGCSA-N 1 2 238.262 2.529 20 5 BFBDLO O=[N+]([O-])c1ccccc1COc1cc[nH+]cc1 ZINC000143080669 384552229 /nfs/dbraw/zinc/55/22/29/384552229.db2.gz MFPTUXPGYJXMBH-UHFFFAOYSA-N 1 2 230.223 2.569 20 5 BFBDLO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000163318753 388361115 /nfs/dbraw/zinc/36/11/15/388361115.db2.gz LLUAOWOKDOGAST-UHFFFAOYSA-N 1 2 240.690 2.842 20 5 BFBDLO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000163318753 388361119 /nfs/dbraw/zinc/36/11/19/388361119.db2.gz LLUAOWOKDOGAST-UHFFFAOYSA-N 1 2 240.690 2.842 20 5 BFBDLO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000449364124 388748531 /nfs/dbraw/zinc/74/85/31/388748531.db2.gz RCAAQLQQEUDSFW-JTQLQIEISA-N 1 2 244.241 2.728 20 5 BFBDLO Cc1cccc(Nc2ccc(O)c([N+](=O)[O-])c2)[nH+]1 ZINC001210392130 957739799 /nfs/dbraw/zinc/73/97/99/957739799.db2.gz CBECFKZCIQXCBS-UHFFFAOYSA-N 1 2 245.238 2.747 20 5 BFBDLO CC(C)(C)c1ccc(NC=[NH2+])c([N+](=O)[O-])c1 ZINC001167869052 961366380 /nfs/dbraw/zinc/36/63/80/961366380.db2.gz RVPXOBXJHBDDNR-UHFFFAOYSA-N 1 2 221.260 2.911 20 5 BFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cccc[nH+]1)C2 ZINC001319112945 991791428 /nfs/dbraw/zinc/79/14/28/991791428.db2.gz MOQDWJNDVKLFCB-UHFFFAOYSA-N 1 2 241.250 2.510 20 5 BFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC23CCC3)cs1 ZINC000081562776 345478714 /nfs/dbraw/zinc/47/87/14/345478714.db2.gz LIGLURAFVUIFKY-UHFFFAOYSA-N 1 2 238.312 2.785 20 5 BFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC23CCC3)cs1 ZINC000081562776 345478717 /nfs/dbraw/zinc/47/87/17/345478717.db2.gz LIGLURAFVUIFKY-UHFFFAOYSA-N 1 2 238.312 2.785 20 5 BFBDLO C[C@@H]1C[C@H]1Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599040973 349081366 /nfs/dbraw/zinc/08/13/66/349081366.db2.gz OHKYJXJZNVADBY-PRHODGIISA-N 1 2 243.266 2.963 20 5 BFBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000389487758 352420043 /nfs/dbraw/zinc/42/00/43/352420043.db2.gz OCPZJXNIUPGYBL-QMMMGPOBSA-N 1 2 244.241 2.728 20 5 BFBDLO Cc1[nH+]cccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000091495772 360118315 /nfs/dbraw/zinc/11/83/15/360118315.db2.gz BMQCNTSYCAZGBI-UHFFFAOYSA-N 1 2 243.266 2.910 20 5 BFBDLO Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000139858854 360994435 /nfs/dbraw/zinc/99/44/35/360994435.db2.gz ARQYTNXRMHZUSJ-SECBINFHSA-N 1 2 246.270 2.799 20 5 BFBDLO O=[N+]([O-])c1cccc(SCCn2cc[nH+]c2)c1 ZINC000337917079 384054138 /nfs/dbraw/zinc/05/41/38/384054138.db2.gz SEEGXTYFKFPWOO-UHFFFAOYSA-N 1 2 249.295 2.584 20 5 BFBDLO O=[N+]([O-])c1cccc(CCNc2cccc[nH+]2)c1 ZINC000340080799 384093517 /nfs/dbraw/zinc/09/35/17/384093517.db2.gz KHEXRGOJPAVCHM-UHFFFAOYSA-N 1 2 243.266 2.644 20 5 BFBDLO CC[C@H](F)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000440703432 387525577 /nfs/dbraw/zinc/52/55/77/387525577.db2.gz HUKCLHGRPZFQGP-NSHDSACASA-N 1 2 240.278 2.775 20 5 BFBDLO CC[C@H](F)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000440703432 387525581 /nfs/dbraw/zinc/52/55/81/387525581.db2.gz HUKCLHGRPZFQGP-NSHDSACASA-N 1 2 240.278 2.775 20 5 BFBDLO O=[N+]([O-])c1ccc(COc2cc[nH+]cc2)c(F)c1 ZINC000431514804 388730703 /nfs/dbraw/zinc/73/07/03/388730703.db2.gz UMLPJVYONCHUBT-UHFFFAOYSA-N 1 2 248.213 2.708 20 5 BFBDLO Cc1c[nH+]cc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000227602971 134388059 /nfs/dbraw/zinc/38/80/59/134388059.db2.gz FQXOTHJXKGKLTK-UHFFFAOYSA-N 1 2 243.266 2.910 20 5 BFBDLO C[C@]1(F)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000334347494 135366433 /nfs/dbraw/zinc/36/64/33/135366433.db2.gz XLNBGOJXVSCOJE-JTQLQIEISA-N 1 2 244.291 2.590 20 5 BFBDLO C[C@]1(F)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000334347494 135366434 /nfs/dbraw/zinc/36/64/34/135366434.db2.gz XLNBGOJXVSCOJE-JTQLQIEISA-N 1 2 244.291 2.590 20 5 BFBDLO CC1C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000802651068 586307980 /nfs/dbraw/zinc/30/79/80/586307980.db2.gz IFITYIZQYCZQJW-UHFFFAOYSA-N 1 2 240.690 2.700 20 5 BFBDLO COc1cc[nH+]c(Nc2cccc([N+](=O)[O-])c2)c1 ZINC001204408155 966993134 /nfs/dbraw/zinc/99/31/34/966993134.db2.gz WLPSLQLFBVEOKF-UHFFFAOYSA-N 1 2 245.238 2.742 20 5 BFBDLO Cc1cc(S)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001229637941 976924868 /nfs/dbraw/zinc/92/48/68/976924868.db2.gz PIYVWPRLKOCSHR-NSHDSACASA-O 1 2 240.392 2.757 20 5 BFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](F)C1 ZINC000334810578 343908741 /nfs/dbraw/zinc/90/87/41/343908741.db2.gz KIEYLICGIXUNQZ-ONGXEEELSA-N 1 2 238.262 2.700 20 5 BFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](F)C1 ZINC000334810578 343908743 /nfs/dbraw/zinc/90/87/43/343908743.db2.gz KIEYLICGIXUNQZ-ONGXEEELSA-N 1 2 238.262 2.700 20 5 BFBDLO O=[N+]([O-])c1c(NCC2CC2)ccc2c[nH+]ccc21 ZINC000599022445 349077370 /nfs/dbraw/zinc/07/73/70/349077370.db2.gz KWCAKOGGDGWGRY-UHFFFAOYSA-N 1 2 243.266 2.965 20 5 BFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3CC3)c2c1 ZINC000413036606 191353122 /nfs/dbraw/zinc/35/31/22/191353122.db2.gz DXHMRGHHVBYNAC-UHFFFAOYSA-N 1 2 243.266 2.965 20 5 BFBDLO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000619432028 358020038 /nfs/dbraw/zinc/02/00/38/358020038.db2.gz BHPDEPQYEHNRHI-UHFFFAOYSA-N 1 2 244.241 2.728 20 5 BFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cccc[nH+]1 ZINC000048558320 358640950 /nfs/dbraw/zinc/64/09/50/358640950.db2.gz KWRJUIFRIBBZMB-UHFFFAOYSA-N 1 2 243.266 2.626 20 5 BFBDLO CC[C@H](Nc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000139834005 358914584 /nfs/dbraw/zinc/91/45/84/358914584.db2.gz YQBPGKIHNGVFSL-NSHDSACASA-N 1 2 246.270 2.881 20 5 BFBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000070444413 371029943 /nfs/dbraw/zinc/02/99/43/371029943.db2.gz BMFVDJFPBOSOCG-SECBINFHSA-N 1 2 246.270 2.501 20 5 BFBDLO C[C@H](Nc1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000070444394 371030862 /nfs/dbraw/zinc/03/08/62/371030862.db2.gz XNFPGCQXSZZYFQ-VIFPVBQESA-N 1 2 246.270 2.501 20 5 BFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C(F)F ZINC000603429646 371895290 /nfs/dbraw/zinc/89/52/90/371895290.db2.gz NTSXDUKCPORVTE-QMMMGPOBSA-N 1 2 244.241 2.646 20 5 BFBDLO O=[N+]([O-])c1ccc(CCNc2cccc[nH+]2)cc1 ZINC000042361846 374265943 /nfs/dbraw/zinc/26/59/43/374265943.db2.gz KXIDEZOOQVGLFJ-UHFFFAOYSA-N 1 2 243.266 2.644 20 5 BFBDLO C[C@]1(F)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000334439644 383877644 /nfs/dbraw/zinc/87/76/44/383877644.db2.gz VBFJGPJXITZJNQ-LBPRGKRZSA-N 1 2 238.262 2.529 20 5 BFBDLO C[C@]1(F)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000334439644 383877646 /nfs/dbraw/zinc/87/76/46/383877646.db2.gz VBFJGPJXITZJNQ-LBPRGKRZSA-N 1 2 238.262 2.529 20 5 BFBDLO 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238.262 2.529 20 5 BFBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000139834120 535809786 /nfs/dbraw/zinc/80/97/86/535809786.db2.gz YQBPGKIHNGVFSL-LLVKDONJSA-N 1 2 246.270 2.881 20 5 BFBDLO CC[N@H+](CC[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000791053274 585973310 /nfs/dbraw/zinc/97/33/10/585973310.db2.gz KITVRNSQFCHYKP-UHFFFAOYSA-N 1 2 248.735 2.500 20 5 BFBDLO CC[N@@H+](CC[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000791053274 585973311 /nfs/dbraw/zinc/97/33/11/585973311.db2.gz KITVRNSQFCHYKP-UHFFFAOYSA-N 1 2 248.735 2.500 20 5 BFBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(F)F ZINC000873126294 589985287 /nfs/dbraw/zinc/98/52/87/589985287.db2.gz PYALZSGSRYTGGA-UHFFFAOYSA-N 1 2 244.241 2.566 20 5 BFBDLO Cc1cc[nH+]c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210392591 969881527 /nfs/dbraw/zinc/88/15/27/969881527.db2.gz HODOKKHKZRLHBX-UHFFFAOYSA-N 1 2 245.238 2.747 20 5 BFBDLO O=[N+]([O-])c1ccccc1CCNc1cccc[nH+]1 ZINC000078454643 344870149 /nfs/dbraw/zinc/87/01/49/344870149.db2.gz KEUURUQYLOFVRO-UHFFFAOYSA-N 1 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201100098 /nfs/dbraw/zinc/10/00/98/201100098.db2.gz JZAGEGWRHMQCIQ-SECBINFHSA-N 1 2 226.301 2.641 20 5 BFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccco2)cs1 ZINC000037472298 364052609 /nfs/dbraw/zinc/05/26/09/364052609.db2.gz ZIZMBOASHAQORE-UHFFFAOYSA-N 1 2 238.268 2.539 20 5 BFBDLO CN(CCF)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000601170100 371731758 /nfs/dbraw/zinc/73/17/58/371731758.db2.gz VRQPKOZYCDOOHN-UHFFFAOYSA-N 1 2 249.245 2.549 20 5 BFBDLO Cc1cc(N[C@H](C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000139919760 372280701 /nfs/dbraw/zinc/28/07/01/372280701.db2.gz JIIZFSLXFIQALQ-SECBINFHSA-N 1 2 246.270 2.799 20 5 BFBDLO CC[C@@H](Nc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000157198307 384271732 /nfs/dbraw/zinc/27/17/32/384271732.db2.gz YDKDDJNSDJIUEZ-SECBINFHSA-N 1 2 246.270 2.881 20 5 BFBDLO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000449364125 388748260 /nfs/dbraw/zinc/74/82/60/388748260.db2.gz RCAAQLQQEUDSFW-SNVBAGLBSA-N 1 2 244.241 2.728 20 5 BFBDLO O=[N+]([O-])c1cccc(F)c1COc1cc[nH+]cc1 ZINC000431495089 388731486 /nfs/dbraw/zinc/73/14/86/388731486.db2.gz OREDQNOZWPUMTD-UHFFFAOYSA-N 1 2 248.213 2.708 20 5 BFBDLO CC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000270387264 168115019 /nfs/dbraw/zinc/11/50/19/168115019.db2.gz XGPPYYLMDPMZIQ-UHFFFAOYSA-N 1 2 238.312 2.808 20 5 BFBDLO CC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000270387264 168115022 /nfs/dbraw/zinc/11/50/22/168115022.db2.gz XGPPYYLMDPMZIQ-UHFFFAOYSA-N 1 2 238.312 2.808 20 5 BFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000566353702 326036343 /nfs/dbraw/zinc/03/63/43/326036343.db2.gz LKYYUNDTEGXKBB-LLVKDONJSA-N 1 2 238.262 2.529 20 5 BFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](F)C1 ZINC000566353702 326036344 /nfs/dbraw/zinc/03/63/44/326036344.db2.gz LKYYUNDTEGXKBB-LLVKDONJSA-N 1 2 238.262 2.529 20 5 BFBDLO Cc1ccc(Nc2ccc([N+](=O)[O-])nc2)c(C)[nH+]1 ZINC001203560972 966687425 /nfs/dbraw/zinc/68/74/25/966687425.db2.gz RWLJVHGWVKXIBN-UHFFFAOYSA-N 1 2 244.254 2.745 20 5 BFBDLO COc1cc[nH+]cc1Nc1cccc([N+](=O)[O-])c1 ZINC001204415784 966995893 /nfs/dbraw/zinc/99/58/93/966995893.db2.gz OIESJFHQMFWHLK-UHFFFAOYSA-N 1 2 245.238 2.742 20 5 BFBDLO C[C@H]1CCN1c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591140968 347620702 /nfs/dbraw/zinc/62/07/02/347620702.db2.gz DGWOFQBYGZIJOF-VIFPVBQESA-N 1 2 243.266 2.742 20 5 BFBDLO CC1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599067734 349087016 /nfs/dbraw/zinc/08/70/16/349087016.db2.gz IQLCWZHGZNDPJH-UHFFFAOYSA-N 1 2 243.266 2.599 20 5 BFBDLO O=[N+]([O-])c1cccc(CNc2cc[nH+]cc2F)c1 ZINC000192149117 357823864 /nfs/dbraw/zinc/82/38/64/357823864.db2.gz MRQIUKIXMXLJRM-UHFFFAOYSA-N 1 2 247.229 2.741 20 5 BFBDLO CC[C@@H](F)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000440703431 386088797 /nfs/dbraw/zinc/08/87/97/386088797.db2.gz HUKCLHGRPZFQGP-LLVKDONJSA-N 1 2 240.278 2.775 20 5 BFBDLO CC[C@@H](F)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000440703431 386088802 /nfs/dbraw/zinc/08/88/02/386088802.db2.gz HUKCLHGRPZFQGP-LLVKDONJSA-N 1 2 240.278 2.775 20 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2.624 20 5 BFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](F)C1 ZINC000334700572 343904254 /nfs/dbraw/zinc/90/42/54/343904254.db2.gz KCMRGOYJJTXBHZ-VHSXEESVSA-N 1 2 238.262 2.700 20 5 BFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](F)C1 ZINC000334700572 343904255 /nfs/dbraw/zinc/90/42/55/343904255.db2.gz KCMRGOYJJTXBHZ-VHSXEESVSA-N 1 2 238.262 2.700 20 5 BFBDLO Cc1ccc([C@H](C)[NH2+]CC(F)F)cc1[N+](=O)[O-] ZINC000136573069 346244076 /nfs/dbraw/zinc/24/40/76/346244076.db2.gz ZLINZAOXTUGTBB-QMMMGPOBSA-N 1 2 244.241 2.819 20 5 BFBDLO C[C@@H]1CCN1c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599028696 349079481 /nfs/dbraw/zinc/07/94/81/349079481.db2.gz VGIMBJHNLKUVAA-SECBINFHSA-N 1 2 243.266 2.742 20 5 BFBDLO C[C@@H]1C[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413114379 191354695 /nfs/dbraw/zinc/35/46/95/191354695.db2.gz DIYGCMXPHLKZJP-PRHODGIISA-N 1 2 243.266 2.963 20 5 BFBDLO C[C@H]([NH2+]CC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000581325018 367350697 /nfs/dbraw/zinc/35/06/97/367350697.db2.gz AWPRVPKBKDIJFN-QMMMGPOBSA-N 1 2 244.241 2.901 20 5 BFBDLO O=[N+]([O-])c1ccc(/C=C/n2cc[nH+]c2C2CC2)o1 ZINC000600610444 371688205 /nfs/dbraw/zinc/68/82/05/371688205.db2.gz HPKFMFBZEADPCB-FNORWQNLSA-N 1 2 245.238 2.890 20 5 BFBDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000334495877 383906391 /nfs/dbraw/zinc/90/63/91/383906391.db2.gz WJROKXNJIUVJSR-OCAPTIKFSA-N 1 2 226.301 2.639 20 5 BFBDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000334495877 383906397 /nfs/dbraw/zinc/90/63/97/383906397.db2.gz WJROKXNJIUVJSR-OCAPTIKFSA-N 1 2 226.301 2.639 20 5 BFBDLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000565495956 384654341 /nfs/dbraw/zinc/65/43/41/384654341.db2.gz UVSQWJOKQPUCEH-MRVPVSSYSA-N 1 2 244.241 2.901 20 5 BFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2CF)cs1 ZINC000293138521 385738286 /nfs/dbraw/zinc/73/82/86/385738286.db2.gz SRAMIFJNSMPOKZ-SECBINFHSA-N 1 2 244.291 2.590 20 5 BFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2CF)cs1 ZINC000293138521 385738291 /nfs/dbraw/zinc/73/82/91/385738291.db2.gz SRAMIFJNSMPOKZ-SECBINFHSA-N 1 2 244.291 2.590 20 5 BFBDLO C[N@H+](Cc1ccoc1)Cc1ccccc1[N+](=O)[O-] ZINC000345089942 386515678 /nfs/dbraw/zinc/51/56/78/386515678.db2.gz IPECRARJEPRFNL-UHFFFAOYSA-N 1 2 246.266 2.820 20 5 BFBDLO C[N@@H+](Cc1ccoc1)Cc1ccccc1[N+](=O)[O-] ZINC000345089942 386515686 /nfs/dbraw/zinc/51/56/86/386515686.db2.gz IPECRARJEPRFNL-UHFFFAOYSA-N 1 2 246.266 2.820 20 5 BFBDLO C[C@]1(F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000334539014 343890113 /nfs/dbraw/zinc/89/01/13/343890113.db2.gz CPKJDRKKNNYMMA-LBPRGKRZSA-N 1 2 238.262 2.529 20 5 BFBDLO C[C@]1(F)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000334539014 343890114 /nfs/dbraw/zinc/89/01/14/343890114.db2.gz CPKJDRKKNNYMMA-LBPRGKRZSA-N 1 2 238.262 2.529 20 5 BFBDLO O=[N+]([O-])c1c(NC2CC2)ccc2c[nH+]ccc21 ZINC000599015498 349082280 /nfs/dbraw/zinc/08/22/80/349082280.db2.gz ZWILGKYXVSEVDQ-UHFFFAOYSA-N 1 2 229.239 2.717 20 5 BFBDLO CCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413094503 191356141 /nfs/dbraw/zinc/35/61/41/191356141.db2.gz QHBGLFRWGQUBIA-UHFFFAOYSA-N 1 2 245.282 2.989 20 5 BFBDLO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000619432039 358022603 /nfs/dbraw/zinc/02/26/03/358022603.db2.gz DVKCJHCFTMNPSA-UHFFFAOYSA-N 1 2 244.241 2.728 20 5 BFBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000228505997 372038747 /nfs/dbraw/zinc/03/87/47/372038747.db2.gz MWJSVZOLJGWJBM-JGVFFNPUSA-N 1 2 244.241 2.899 20 5 BFBDLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000228505984 372038998 /nfs/dbraw/zinc/03/89/98/372038998.db2.gz MWJSVZOLJGWJBM-YUMQZZPRSA-N 1 2 244.241 2.899 20 5 BFBDLO CCC[N@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338935280 169130060 /nfs/dbraw/zinc/13/00/60/169130060.db2.gz WYHZYBVWIHFRRI-UHFFFAOYSA-N 1 2 238.287 2.532 20 5 BFBDLO CCC[N@@H+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338935280 169130062 /nfs/dbraw/zinc/13/00/62/169130062.db2.gz WYHZYBVWIHFRRI-UHFFFAOYSA-N 1 2 238.287 2.532 20 5 BFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2CF)cs1 ZINC000293138522 385737744 /nfs/dbraw/zinc/73/77/44/385737744.db2.gz SRAMIFJNSMPOKZ-VIFPVBQESA-N 1 2 244.291 2.590 20 5 BFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2CF)cs1 ZINC000293138522 385737749 /nfs/dbraw/zinc/73/77/49/385737749.db2.gz SRAMIFJNSMPOKZ-VIFPVBQESA-N 1 2 244.291 2.590 20 5 BFBDLO Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000083371317 387405060 /nfs/dbraw/zinc/40/50/60/387405060.db2.gz PHUCZMWKNLXLBS-UHFFFAOYSA-N 1 2 243.266 2.910 20 5 BFBDLO CNc1ccc(Nc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000301076326 173480215 /nfs/dbraw/zinc/48/02/15/173480215.db2.gz DSVBJXQPHBHQJA-UHFFFAOYSA-N 1 2 244.254 2.775 20 5 BFBDLO CCCCc1[nH+]c2ccccc2n1CC[N+](=O)[O-] ZINC000899859625 584242628 /nfs/dbraw/zinc/24/26/28/584242628.db2.gz LNUSBGAVVJZOBU-UHFFFAOYSA-N 1 2 247.298 2.656 20 5 BFBDLO C[N@H+](CCCF)Cc1c(F)cccc1[N+](=O)[O-] ZINC000887138634 592452934 /nfs/dbraw/zinc/45/29/34/592452934.db2.gz FHYXZOOWKNXKHR-UHFFFAOYSA-N 1 2 244.241 2.525 20 5 BFBDLO C[N@@H+](CCCF)Cc1c(F)cccc1[N+](=O)[O-] ZINC000887138634 592452935 /nfs/dbraw/zinc/45/29/35/592452935.db2.gz FHYXZOOWKNXKHR-UHFFFAOYSA-N 1 2 244.241 2.525 20 5 BFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC3CC3)c2c1 ZINC000413024993 191343643 /nfs/dbraw/zinc/34/36/43/191343643.db2.gz PASIIAHSPFXUFI-UHFFFAOYSA-N 1 2 229.239 2.717 20 5 BFBDLO C[C@H]1C[C@H](C)[NH+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000619285270 358006737 /nfs/dbraw/zinc/00/67/37/358006737.db2.gz PGGCNVFHBOXGHT-IUCAKERBSA-N 1 2 238.262 2.717 20 5 BFBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000157199025 371535082 /nfs/dbraw/zinc/53/50/82/371535082.db2.gz WOTABGZQEKLFGP-SECBINFHSA-N 1 2 246.270 2.799 20 5 BFBDLO CC[C@H]1CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000429300902 206060848 /nfs/dbraw/zinc/06/08/48/206060848.db2.gz JZAGEGWRHMQCIQ-VIFPVBQESA-N 1 2 226.301 2.641 20 5 BFBDLO CC[C@H]1CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000429300902 206060854 /nfs/dbraw/zinc/06/08/54/206060854.db2.gz JZAGEGWRHMQCIQ-VIFPVBQESA-N 1 2 226.301 2.641 20 5 BFBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000339564001 383995924 /nfs/dbraw/zinc/99/59/24/383995924.db2.gz OMQKFEQTGLRXQE-BDAKNGLRSA-N 1 2 238.262 2.574 20 5 BFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000339564001 383995928 /nfs/dbraw/zinc/99/59/28/383995928.db2.gz OMQKFEQTGLRXQE-BDAKNGLRSA-N 1 2 238.262 2.574 20 5 BFBDLO Cn1c[nH+]cc1CSc1cccc([N+](=O)[O-])c1 ZINC000337744512 384675991 /nfs/dbraw/zinc/67/59/91/384675991.db2.gz FOIMPLKZNWHJKA-UHFFFAOYSA-N 1 2 249.295 2.621 20 5 BFBDLO Cc1ccc(NCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000083371318 409916946 /nfs/dbraw/zinc/91/69/46/409916946.db2.gz BNKLTERSXBKXHD-UHFFFAOYSA-N 1 2 243.266 2.910 20 5 BFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1(F)CC1 ZINC000526970271 323309511 /nfs/dbraw/zinc/30/95/11/323309511.db2.gz OLXKNPKSZPUADI-UHFFFAOYSA-N 1 2 238.262 2.529 20 5 BFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1(F)CC1 ZINC000526970271 323309514 /nfs/dbraw/zinc/30/95/14/323309514.db2.gz OLXKNPKSZPUADI-UHFFFAOYSA-N 1 2 238.262 2.529 20 5 BFBDLO O=[N+]([O-])c1cccc(C[N@H+](CCF)C2CC2)c1 ZINC000768565472 585540254 /nfs/dbraw/zinc/54/02/54/585540254.db2.gz HMKAXVQOGWZWGG-UHFFFAOYSA-N 1 2 238.262 2.529 20 5 BFBDLO O=[N+]([O-])c1cccc(C[N@@H+](CCF)C2CC2)c1 ZINC000768565472 585540255 /nfs/dbraw/zinc/54/02/55/585540255.db2.gz HMKAXVQOGWZWGG-UHFFFAOYSA-N 1 2 238.262 2.529 20 5 BFBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(F)CC2)cs1 ZINC000880242657 590975501 /nfs/dbraw/zinc/97/55/01/590975501.db2.gz HERIMUDMHLCYSL-UHFFFAOYSA-N 1 2 244.291 2.590 20 5 BFBDLO Cc1nc(NC(=[NH2+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC001155176163 962999456 /nfs/dbraw/zinc/99/94/56/962999456.db2.gz RTEIPTCOSOMCCT-UHFFFAOYSA-N 1 2 236.275 2.733 20 5 BFBDLO Cc1c[nH+]c(Nc2cccc([N+](=O)[O-])c2)c(N)c1 ZINC001204416701 966997391 /nfs/dbraw/zinc/99/73/91/966997391.db2.gz ZVHWVPQISHFIPC-UHFFFAOYSA-N 1 2 244.254 2.624 20 5 BFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](F)C1 ZINC000334700575 343904060 /nfs/dbraw/zinc/90/40/60/343904060.db2.gz KCMRGOYJJTXBHZ-ZJUUUORDSA-N 1 2 238.262 2.700 20 5 BFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](F)C1 ZINC000334700575 343904063 /nfs/dbraw/zinc/90/40/63/343904063.db2.gz KCMRGOYJJTXBHZ-ZJUUUORDSA-N 1 2 238.262 2.700 20 5 BFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1 ZINC000578199215 366384217 /nfs/dbraw/zinc/38/42/17/366384217.db2.gz ZWJSVKLXYXBSFW-NSHDSACASA-N 1 2 238.262 2.529 20 5 BFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](F)C2)cc1 ZINC000578199215 366384223 /nfs/dbraw/zinc/38/42/23/366384223.db2.gz ZWJSVKLXYXBSFW-NSHDSACASA-N 1 2 238.262 2.529 20 5 BFBDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000619285271 358006469 /nfs/dbraw/zinc/00/64/69/358006469.db2.gz PGGCNVFHBOXGHT-RKDXNWHRSA-N 1 2 238.262 2.717 20 5 BFBDLO C[C@@H]([NH2+]CC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000581325017 367349833 /nfs/dbraw/zinc/34/98/33/367349833.db2.gz AWPRVPKBKDIJFN-MRVPVSSYSA-N 1 2 244.241 2.901 20 5 BFBDLO C[C@H]1C[C@H](C)[NH+]1Cc1csc([N+](=O)[O-])c1 ZINC000334495878 383906979 /nfs/dbraw/zinc/90/69/79/383906979.db2.gz WJROKXNJIUVJSR-YUMQZZPRSA-N 1 2 226.301 2.639 20 5 BFBDLO O=[N+]([O-])c1cccc(COc2cc[nH+]cc2)c1 ZINC000356086318 388389638 /nfs/dbraw/zinc/38/96/38/388389638.db2.gz BYGAJOVUKVZOKE-UHFFFAOYSA-N 1 2 230.223 2.569 20 5 BFBDLO Cc1c(CNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000231868954 135639064 /nfs/dbraw/zinc/63/90/64/135639064.db2.gz JPKNWMNUMNXNTN-UHFFFAOYSA-N 1 2 243.266 2.910 20 5 BFBDLO CC[C@H](C)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339031294 171307809 /nfs/dbraw/zinc/30/78/09/171307809.db2.gz DRGKWMPSXWEESD-VIFPVBQESA-N 1 2 238.287 2.531 20 5 BFBDLO CC[C@H](C)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339031294 171307810 /nfs/dbraw/zinc/30/78/10/171307810.db2.gz DRGKWMPSXWEESD-VIFPVBQESA-N 1 2 238.287 2.531 20 5 BFBDLO Cc1ccc(-c2cn3c([nH+]2)CCC3)cc1[N+](=O)[O-] ZINC000788866069 585931483 /nfs/dbraw/zinc/93/14/83/585931483.db2.gz BBCGFRUEUNLKHG-UHFFFAOYSA-N 1 2 243.266 2.713 20 5 BFBDLO C[N@H+](C/C=C/Cl)Cc1ccccc1[N+](=O)[O-] ZINC000046863030 640825335 /nfs/dbraw/zinc/82/53/35/640825335.db2.gz IAOVQUHVZAGYFV-QPJJXVBHSA-N 1 2 240.690 2.779 20 5 BFBDLO C[N@@H+](C/C=C/Cl)Cc1ccccc1[N+](=O)[O-] ZINC000046863030 640825337 /nfs/dbraw/zinc/82/53/37/640825337.db2.gz IAOVQUHVZAGYFV-QPJJXVBHSA-N 1 2 240.690 2.779 20 5 BFBDLO Cc1cc(S)ccc1O[C@H](C)C[N+](C)(C)C ZINC001229637940 976926122 /nfs/dbraw/zinc/92/61/22/976926122.db2.gz PIYVWPRLKOCSHR-LLVKDONJSA-O 1 2 240.392 2.757 20 5 BFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](F)C1 ZINC000334810570 343908794 /nfs/dbraw/zinc/90/87/94/343908794.db2.gz KIEYLICGIXUNQZ-GXSJLCMTSA-N 1 2 238.262 2.700 20 5 BFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](F)C1 ZINC000334810570 343908795 /nfs/dbraw/zinc/90/87/95/343908795.db2.gz KIEYLICGIXUNQZ-GXSJLCMTSA-N 1 2 238.262 2.700 20 5 BFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](F)C1 ZINC000334810575 343908900 /nfs/dbraw/zinc/90/89/00/343908900.db2.gz KIEYLICGIXUNQZ-MWLCHTKSSA-N 1 2 238.262 2.700 20 5 BFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](F)C1 ZINC000334810575 343908903 /nfs/dbraw/zinc/90/89/03/343908903.db2.gz KIEYLICGIXUNQZ-MWLCHTKSSA-N 1 2 238.262 2.700 20 5 BFBDLO CCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413024133 191343639 /nfs/dbraw/zinc/34/36/39/191343639.db2.gz LVMVBSANQYXZJM-UHFFFAOYSA-N 1 2 245.282 2.777 20 5 BFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC000578199214 366384247 /nfs/dbraw/zinc/38/42/47/366384247.db2.gz ZWJSVKLXYXBSFW-LLVKDONJSA-N 1 2 238.262 2.529 20 5 BFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000578199214 366384255 /nfs/dbraw/zinc/38/42/55/366384255.db2.gz ZWJSVKLXYXBSFW-LLVKDONJSA-N 1 2 238.262 2.529 20 5 BFBDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000619285266 358006804 /nfs/dbraw/zinc/00/68/04/358006804.db2.gz PGGCNVFHBOXGHT-DTORHVGOSA-N 1 2 238.262 2.717 20 5 BFBDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000619285266 358006808 /nfs/dbraw/zinc/00/68/08/358006808.db2.gz PGGCNVFHBOXGHT-DTORHVGOSA-N 1 2 238.262 2.717 20 5 BFBDLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000228505976 372038754 /nfs/dbraw/zinc/03/87/54/372038754.db2.gz MWJSVZOLJGWJBM-SFYZADRCSA-N 1 2 244.241 2.899 20 5 BFBDLO Cc1ccc(NCc2csc([N+](=O)[O-])c2)c[nH+]1 ZINC000128043999 384110485 /nfs/dbraw/zinc/11/04/85/384110485.db2.gz UFYAZMRJKYXYBI-UHFFFAOYSA-N 1 2 249.295 2.972 20 5 BFBDLO Cc1ccc(NCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000083371319 409915179 /nfs/dbraw/zinc/91/51/79/409915179.db2.gz YTLSOFCUBAPFKD-UHFFFAOYSA-N 1 2 243.266 2.910 20 5 BFBDLO CC1C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894158429 583320943 /nfs/dbraw/zinc/32/09/43/583320943.db2.gz NANMYWUZJNMBKD-UHFFFAOYSA-N 1 2 240.690 2.700 20 5 BFBDLO Cc1cc([N+](=O)[O-])cnc1NC(=[NH2+])C(C)(C)C ZINC001155175303 963000488 /nfs/dbraw/zinc/00/04/88/963000488.db2.gz ACZBZIIPCOYKMI-UHFFFAOYSA-N 1 2 236.275 2.733 20 5 BFBDLO Cc1cc(C)c(Nc2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC001203566006 966695546 /nfs/dbraw/zinc/69/55/46/966695546.db2.gz ADLPFNRSDIYPIB-UHFFFAOYSA-N 1 2 244.254 2.745 20 5 BFBDLO CCc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)c[nH+]1 ZINC001459261526 985420219 /nfs/dbraw/zinc/42/02/19/985420219.db2.gz MZPQDBCSYOGLPP-UHFFFAOYSA-N 1 2 249.245 2.541 20 5 BFBDLO C[C@@H]1CCN1c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000591140967 347620367 /nfs/dbraw/zinc/62/03/67/347620367.db2.gz DGWOFQBYGZIJOF-SECBINFHSA-N 1 2 243.266 2.742 20 5 BFBDLO CCC(F)(F)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598996077 349073427 /nfs/dbraw/zinc/07/34/27/349073427.db2.gz BFUXFLFUFHXIAW-UHFFFAOYSA-N 1 2 244.241 2.730 20 5 BFBDLO C[N@H+](Cc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000061783369 368569973 /nfs/dbraw/zinc/56/99/73/368569973.db2.gz IYIYLKPXIKCECN-UHFFFAOYSA-N 1 2 246.266 2.820 20 5 BFBDLO C[N@@H+](Cc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000061783369 368569975 /nfs/dbraw/zinc/56/99/75/368569975.db2.gz IYIYLKPXIKCECN-UHFFFAOYSA-N 1 2 246.266 2.820 20 5 BFBDLO Cc1[nH+]cccc1NCc1cccc([N+](=O)[O-])c1 ZINC000091495331 369419715 /nfs/dbraw/zinc/41/97/15/369419715.db2.gz PGXIGKFDJZGIIE-UHFFFAOYSA-N 1 2 243.266 2.910 20 5 BFBDLO C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000070444412 371030214 /nfs/dbraw/zinc/03/02/14/371030214.db2.gz BMFVDJFPBOSOCG-VIFPVBQESA-N 1 2 246.270 2.501 20 5 BFBDLO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000449362907 386811556 /nfs/dbraw/zinc/81/15/56/386811556.db2.gz ODTZERZMNJUXJL-JTQLQIEISA-N 1 2 244.241 2.728 20 5 BFBDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000339564002 177260188 /nfs/dbraw/zinc/26/01/88/177260188.db2.gz OMQKFEQTGLRXQE-DTWKUNHWSA-N 1 2 238.262 2.574 20 5 BFBDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000339564002 177260189 /nfs/dbraw/zinc/26/01/89/177260189.db2.gz OMQKFEQTGLRXQE-DTWKUNHWSA-N 1 2 238.262 2.574 20 5 BFBDLO C[C@H]([NH2+]CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000147296946 487998813 /nfs/dbraw/zinc/99/88/13/487998813.db2.gz ONOGTWPVNGJMAF-ZETCQYMHSA-N 1 2 230.214 2.511 20 5 BFBDLO CC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000310477152 343508881 /nfs/dbraw/zinc/50/88/81/343508881.db2.gz KMEWWHUYDQUMJY-UHFFFAOYSA-N 1 2 238.262 2.576 20 5 BFBDLO C[C@H]1CCN1c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599028697 349079847 /nfs/dbraw/zinc/07/98/47/349079847.db2.gz VGIMBJHNLKUVAA-VIFPVBQESA-N 1 2 243.266 2.742 20 5 BFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCCC1 ZINC000599013325 349082135 /nfs/dbraw/zinc/08/21/35/349082135.db2.gz HVDFHLQLRJFWEI-UHFFFAOYSA-N 1 2 243.266 2.743 20 5 BFBDLO Cc1[nH+]cccc1NCc1csc([N+](=O)[O-])c1 ZINC000091495440 369419857 /nfs/dbraw/zinc/41/98/57/369419857.db2.gz LWZMQIYCGCVLAV-UHFFFAOYSA-N 1 2 249.295 2.972 20 5 BFBDLO CC(C)(Nc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000603406617 371890906 /nfs/dbraw/zinc/89/09/06/371890906.db2.gz MKSQAYQCUZPFQY-UHFFFAOYSA-N 1 2 246.270 2.665 20 5 BFBDLO C[C@H]([NH2+]CC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000565495961 384654125 /nfs/dbraw/zinc/65/41/25/384654125.db2.gz UVSQWJOKQPUCEH-QMMMGPOBSA-N 1 2 244.241 2.901 20 5 BFBDLO Cc1cc[nH+]cc1NCc1cccc([N+](=O)[O-])c1 ZINC000071413551 384884169 /nfs/dbraw/zinc/88/41/69/384884169.db2.gz JEIKBEXRMQSMBT-UHFFFAOYSA-N 1 2 243.266 2.910 20 5 BFBDLO CC[NH+](CC)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285964658 397942453 /nfs/dbraw/zinc/94/24/53/397942453.db2.gz KYFYPWBDVJFFCH-UHFFFAOYSA-N 1 2 244.241 2.715 20 5 BFBDLO CC1C[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000802651598 586307613 /nfs/dbraw/zinc/30/76/13/586307613.db2.gz RWZQVCGVABAEEZ-UHFFFAOYSA-N 1 2 240.690 2.700 20 5 BFBDLO CCc1cn(Cc2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC001166821716 966422120 /nfs/dbraw/zinc/42/21/20/966422120.db2.gz FRDHUCHKIUACMC-UHFFFAOYSA-N 1 2 245.282 2.710 20 5 BFBDLO Cc1c[nH+]c(Nc2ccc([N+](=O)[O-])cc2)c(N)c1 ZINC001174475169 976789018 /nfs/dbraw/zinc/78/90/18/976789018.db2.gz FGXZVNBGMDDBEH-UHFFFAOYSA-N 1 2 244.254 2.624 20 5 BFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](F)C1 ZINC000334700568 343904154 /nfs/dbraw/zinc/90/41/54/343904154.db2.gz KCMRGOYJJTXBHZ-NXEZZACHSA-N 1 2 238.262 2.700 20 5 BFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](F)C1 ZINC000334700568 343904156 /nfs/dbraw/zinc/90/41/56/343904156.db2.gz KCMRGOYJJTXBHZ-NXEZZACHSA-N 1 2 238.262 2.700 20 5 BFBDLO Cc1ccc([C@@H](C)[NH2+]CC(F)F)cc1[N+](=O)[O-] ZINC000136573028 346244427 /nfs/dbraw/zinc/24/44/27/346244427.db2.gz ZLINZAOXTUGTBB-MRVPVSSYSA-N 1 2 244.241 2.819 20 5 BFBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000389487757 352419844 /nfs/dbraw/zinc/41/98/44/352419844.db2.gz OCPZJXNIUPGYBL-MRVPVSSYSA-N 1 2 244.241 2.728 20 5 BFBDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1csc([N+](=O)[O-])c1 ZINC000334495876 383907046 /nfs/dbraw/zinc/90/70/46/383907046.db2.gz WJROKXNJIUVJSR-HTQZYQBOSA-N 1 2 226.301 2.639 20 5 BFBDLO CC[C@H](Nc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000157198169 384270727 /nfs/dbraw/zinc/27/07/27/384270727.db2.gz YDKDDJNSDJIUEZ-VIFPVBQESA-N 1 2 246.270 2.881 20 5 BFBDLO Cc1c(COc2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000356101210 388389436 /nfs/dbraw/zinc/38/94/36/388389436.db2.gz UHMUHKXFUVMFEB-UHFFFAOYSA-N 1 2 244.250 2.877 20 5 BFBDLO CCC1(C)C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000297479070 388617789 /nfs/dbraw/zinc/61/77/89/388617789.db2.gz TYGSHVKIVFBSBI-UHFFFAOYSA-N 1 2 240.328 2.888 20 5 BFBDLO Cc1ccc(C[NH2+]CC(C)(F)F)cc1[N+](=O)[O-] ZINC000555609711 388806534 /nfs/dbraw/zinc/80/65/34/388806534.db2.gz YOJNKPTVWZLCDE-UHFFFAOYSA-N 1 2 244.241 2.648 20 5 BFBDLO C[C@@]1(F)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000334347496 135366384 /nfs/dbraw/zinc/36/63/84/135366384.db2.gz XLNBGOJXVSCOJE-SNVBAGLBSA-N 1 2 244.291 2.590 20 5 BFBDLO C[C@@]1(F)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000334347496 135366385 /nfs/dbraw/zinc/36/63/85/135366385.db2.gz XLNBGOJXVSCOJE-SNVBAGLBSA-N 1 2 244.291 2.590 20 5 BFBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000339564003 177261041 /nfs/dbraw/zinc/26/10/41/177261041.db2.gz OMQKFEQTGLRXQE-IUCAKERBSA-N 1 2 238.262 2.574 20 5 BFBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000339564003 177261042 /nfs/dbraw/zinc/26/10/42/177261042.db2.gz OMQKFEQTGLRXQE-IUCAKERBSA-N 1 2 238.262 2.574 20 5 BFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](F)C1 ZINC000566353703 326036351 /nfs/dbraw/zinc/03/63/51/326036351.db2.gz LKYYUNDTEGXKBB-NSHDSACASA-N 1 2 238.262 2.529 20 5 BFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](F)C1 ZINC000566353703 326036352 /nfs/dbraw/zinc/03/63/52/326036352.db2.gz LKYYUNDTEGXKBB-NSHDSACASA-N 1 2 238.262 2.529 20 5 BFBDLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC[N+](=O)[O-] ZINC000791053221 585973359 /nfs/dbraw/zinc/97/33/59/585973359.db2.gz JQPHQPAAFNJDRP-VIFPVBQESA-N 1 2 242.706 2.610 20 5 BFBDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC[N+](=O)[O-] ZINC000791053221 585973360 /nfs/dbraw/zinc/97/33/60/585973360.db2.gz JQPHQPAAFNJDRP-VIFPVBQESA-N 1 2 242.706 2.610 20 5 BFBDLO COc1cc[nH+]c(Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001174475659 976794636 /nfs/dbraw/zinc/79/46/36/976794636.db2.gz OIIVLWMWXCCHDV-UHFFFAOYSA-N 1 2 245.238 2.742 20 5 BFBDLO