smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000165314597 1080473716 /nfs/dbraw/zinc/47/37/16/1080473716.db2.gz CHRYZXVKITVJDU-AZUAARDMSA-N 1 3 367.493 4.118 20 5 FIBDHO C[NH+](C)Cc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417320968 1090813673 /nfs/dbraw/zinc/81/36/73/1090813673.db2.gz KVSMPZQOKKUYKI-OAQYLSRUSA-N 1 3 353.466 4.214 20 5 FIBDHO C[NH+](C)Cc1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433154056 1093341093 /nfs/dbraw/zinc/34/10/93/1093341093.db2.gz YNBCOFACAGLJMZ-HXUWFJFHSA-N 1 3 353.466 4.169 20 5 FIBDHO CCOc1ccc([C@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423500595 1096699650 /nfs/dbraw/zinc/69/96/50/1096699650.db2.gz KNEDMZZIHZADDZ-YJBOKZPZSA-N 1 3 357.454 4.124 20 5 FIBDHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152364517 1101783387 /nfs/dbraw/zinc/78/33/87/1101783387.db2.gz IUMYNSVXLBVUDQ-CABCVRRESA-N 1 3 371.506 4.458 20 5 FIBDHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152364517 1101783395 /nfs/dbraw/zinc/78/33/95/1101783395.db2.gz IUMYNSVXLBVUDQ-CABCVRRESA-N 1 3 371.506 4.458 20 5 FIBDHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311820350 1125228543 /nfs/dbraw/zinc/22/85/43/1125228543.db2.gz NDAOMRMOJOKZFD-ZWOKBUDYSA-N 1 3 353.466 4.156 20 5 FIBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000566474280 1090861359 /nfs/dbraw/zinc/86/13/59/1090861359.db2.gz GFTHXYGCHWYBMQ-HNAYVOBHSA-N 1 3 371.506 4.145 20 5 FIBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000566474280 1090861367 /nfs/dbraw/zinc/86/13/67/1090861367.db2.gz GFTHXYGCHWYBMQ-HNAYVOBHSA-N 1 3 371.506 4.145 20 5 FIBDHO C[NH+](C)Cc1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433154055 1093341370 /nfs/dbraw/zinc/34/13/70/1093341370.db2.gz YNBCOFACAGLJMZ-FQEVSTJZSA-N 1 3 353.466 4.169 20 5 FIBDHO C[C@H]1C[C@@H](CCNCc2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000513545573 1094205770 /nfs/dbraw/zinc/20/57/70/1094205770.db2.gz RIIGZUUCJZLXTO-DOTOQJQBSA-N 1 3 359.495 4.047 20 5 FIBDHO C[C@H]1C[C@@H](CCNCc2csc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000513545573 1094205775 /nfs/dbraw/zinc/20/57/75/1094205775.db2.gz RIIGZUUCJZLXTO-DOTOQJQBSA-N 1 3 359.495 4.047 20 5 FIBDHO C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCC[NH2+]C1 ZINC000423214257 1096619065 /nfs/dbraw/zinc/61/90/65/1096619065.db2.gz LAVFVPMJUSMVFA-QLFBSQMISA-N 1 3 359.495 4.362 20 5 FIBDHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640315 1085417739 /nfs/dbraw/zinc/41/77/39/1085417739.db2.gz CDSLYNAHCKGQHY-QGZVFWFLSA-N 1 3 353.466 4.432 20 5 FIBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000566474282 1090861860 /nfs/dbraw/zinc/86/18/60/1090861860.db2.gz GFTHXYGCHWYBMQ-KXBFYZLASA-N 1 3 371.506 4.145 20 5 FIBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000566474282 1090861872 /nfs/dbraw/zinc/86/18/72/1090861872.db2.gz GFTHXYGCHWYBMQ-KXBFYZLASA-N 1 3 371.506 4.145 20 5 FIBDHO C[NH+](C)Cc1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433152634 1093340353 /nfs/dbraw/zinc/34/03/53/1093340353.db2.gz SHCAGSZJZSJWMF-FQEVSTJZSA-N 1 3 353.466 4.169 20 5 FIBDHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152364614 1101783433 /nfs/dbraw/zinc/78/34/33/1101783433.db2.gz IUMYNSVXLBVUDQ-LSDHHAIUSA-N 1 3 371.506 4.458 20 5 FIBDHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152364614 1101783443 /nfs/dbraw/zinc/78/34/43/1101783443.db2.gz IUMYNSVXLBVUDQ-LSDHHAIUSA-N 1 3 371.506 4.458 20 5 FIBDHO C[NH+]1CCC(C)(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000507446577 1103393503 /nfs/dbraw/zinc/39/35/03/1103393503.db2.gz FIDTZVVUCJGZMS-HXUWFJFHSA-N 1 3 353.466 4.006 20 5 FIBDHO Cc1ccc([C@@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000090217484 1118712127 /nfs/dbraw/zinc/71/21/27/1118712127.db2.gz GJUZOFNIENPJGK-IAGOWNOFSA-N 1 3 371.481 4.255 20 5 FIBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162919706 1086465552 /nfs/dbraw/zinc/46/55/52/1086465552.db2.gz DPBZWQMNDZOCET-KRWDZBQOSA-N 1 3 353.466 4.350 20 5 FIBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000504930289 1087995898 /nfs/dbraw/zinc/99/58/98/1087995898.db2.gz ORUMSKKHPWXTPF-CQSZACIVSA-N 1 3 365.543 4.364 20 5 FIBDHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814881 1099825065 /nfs/dbraw/zinc/82/50/65/1099825065.db2.gz JAVIPOMJYVCKRC-KSSFIOAISA-N 1 3 359.495 4.095 20 5 FIBDHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814881 1099825088 /nfs/dbraw/zinc/82/50/88/1099825088.db2.gz JAVIPOMJYVCKRC-KSSFIOAISA-N 1 3 359.495 4.095 20 5 FIBDHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192828001 1112564803 /nfs/dbraw/zinc/56/48/03/1112564803.db2.gz XYOXQAKESNHDBE-NRFANRHFSA-N 1 3 353.466 4.214 20 5 FIBDHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192828001 1112564807 /nfs/dbraw/zinc/56/48/07/1112564807.db2.gz XYOXQAKESNHDBE-NRFANRHFSA-N 1 3 353.466 4.214 20 5 FIBDHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312531591 1125400066 /nfs/dbraw/zinc/40/00/66/1125400066.db2.gz PSLQFZKLHDONTL-UEXGIBASSA-N 1 3 367.493 4.464 20 5 FIBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000566474269 1090861548 /nfs/dbraw/zinc/86/15/48/1090861548.db2.gz GFTHXYGCHWYBMQ-BEFAXECRSA-N 1 3 371.506 4.145 20 5 FIBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000566474269 1090861561 /nfs/dbraw/zinc/86/15/61/1090861561.db2.gz GFTHXYGCHWYBMQ-BEFAXECRSA-N 1 3 371.506 4.145 20 5 FIBDHO CN(C)CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000609709037 1123804772 /nfs/dbraw/zinc/80/47/72/1123804772.db2.gz LWKKBJWHXVFPLO-LJQANCHMSA-N 1 3 359.470 4.311 20 5 FIBDHO C[NH+]1CCC(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180455909 1087925379 /nfs/dbraw/zinc/92/53/79/1087925379.db2.gz FAJNHWOGGLSFOR-NRFANRHFSA-N 1 3 353.466 4.006 20 5 FIBDHO CCOc1ccc([C@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000504929164 1087996460 /nfs/dbraw/zinc/99/64/60/1087996460.db2.gz HBFPOYQAYCHVQN-KBXCAEBGSA-N 1 3 351.491 4.011 20 5 FIBDHO C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCC[NH2+]C1 ZINC000423214249 1096619147 /nfs/dbraw/zinc/61/91/47/1096619147.db2.gz LAVFVPMJUSMVFA-ILXRZTDVSA-N 1 3 359.495 4.362 20 5 FIBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000536877475 1100399336 /nfs/dbraw/zinc/39/93/36/1100399336.db2.gz PAJOMFTVBODEEL-HNNXBMFYSA-N 1 3 365.543 4.318 20 5 FIBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+](C(C)(C)C)CC1 ZINC000536877475 1100399347 /nfs/dbraw/zinc/39/93/47/1100399347.db2.gz PAJOMFTVBODEEL-HNNXBMFYSA-N 1 3 365.543 4.318 20 5 FIBDHO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(C[NH+]4CCCC4)CC3)o2)cc1 ZINC000506949111 1102977707 /nfs/dbraw/zinc/97/77/07/1102977707.db2.gz ZJFJPEGSWQKCPC-UHFFFAOYSA-N 1 3 369.465 4.163 20 5 FIBDHO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCN(C4CCCCC4)CC3)c2c1 ZINC000554742149 1112467485 /nfs/dbraw/zinc/46/74/85/1112467485.db2.gz UKPZXEVPSNQVAX-UHFFFAOYSA-N 1 3 370.497 4.005 20 5 FIBDHO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482437309 1113254551 /nfs/dbraw/zinc/25/45/51/1113254551.db2.gz DESVTWVCGGTBNG-ICSRJNTNSA-N 1 3 367.493 4.118 20 5 FIBDHO CCC[NH+]1CCC(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491004867 1114358988 /nfs/dbraw/zinc/35/89/88/1114358988.db2.gz JQXRHCUYIPWCSQ-QFIPXVFZSA-N 1 3 367.493 4.396 20 5 FIBDHO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000157514973 1079921401 /nfs/dbraw/zinc/92/14/01/1079921401.db2.gz NVTHBTWLQCEZJU-NRFANRHFSA-N 1 3 371.525 4.303 20 5 FIBDHO O=[N+]([O-])c1ccccc1C[C@H](NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000157514973 1079921406 /nfs/dbraw/zinc/92/14/06/1079921406.db2.gz NVTHBTWLQCEZJU-NRFANRHFSA-N 1 3 371.525 4.303 20 5 FIBDHO CC(C)N1CCC([N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506338226 1100880247 /nfs/dbraw/zinc/88/02/47/1100880247.db2.gz DSXPFKZVGRYMDY-UHFFFAOYSA-N 1 3 357.454 4.159 20 5 FIBDHO CC(C)N1CCC([N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000506338226 1100880257 /nfs/dbraw/zinc/88/02/57/1100880257.db2.gz DSXPFKZVGRYMDY-UHFFFAOYSA-N 1 3 357.454 4.159 20 5 FIBDHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000453228658 1108300228 /nfs/dbraw/zinc/30/02/28/1108300228.db2.gz AUWHDDGCRKYSTL-GUMYABAYSA-N 1 3 365.477 4.441 20 5 FIBDHO CC1CC[NH+](CCCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000608836002 1116131233 /nfs/dbraw/zinc/13/12/33/1116131233.db2.gz GIROXBDZGAJMCF-UHFFFAOYSA-N 1 3 371.481 4.457 20 5 FIBDHO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312531593 1125399955 /nfs/dbraw/zinc/39/99/55/1125399955.db2.gz PSLQFZKLHDONTL-WAOWUJCRSA-N 1 3 367.493 4.464 20 5 FIBDHO Cc1c([C@@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000165178565 1080351624 /nfs/dbraw/zinc/35/16/24/1080351624.db2.gz JJMWDVPYWLZSOP-QGZVFWFLSA-N 1 3 371.481 4.085 20 5 FIBDHO CCCN1CCC([N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000510423235 1082559340 /nfs/dbraw/zinc/55/93/40/1082559340.db2.gz ZVEMZYSYAXNZLT-UHFFFAOYSA-N 1 3 357.454 4.161 20 5 FIBDHO CCCN1CCC([N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000510423235 1082559344 /nfs/dbraw/zinc/55/93/44/1082559344.db2.gz ZVEMZYSYAXNZLT-UHFFFAOYSA-N 1 3 357.454 4.161 20 5 FIBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CC(C)C)CC1 ZINC000504899187 1087955864 /nfs/dbraw/zinc/95/58/64/1087955864.db2.gz BZIFPISWMUHAKL-INIZCTEOSA-N 1 3 365.543 4.176 20 5 FIBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC(C)C)CC1 ZINC000504899187 1087955869 /nfs/dbraw/zinc/95/58/69/1087955869.db2.gz BZIFPISWMUHAKL-INIZCTEOSA-N 1 3 365.543 4.176 20 5 FIBDHO CCOc1ccc([C@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000504929166 1087996073 /nfs/dbraw/zinc/99/60/73/1087996073.db2.gz HBFPOYQAYCHVQN-KSSFIOAISA-N 1 3 351.491 4.011 20 5 FIBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110791269 1091682629 /nfs/dbraw/zinc/68/26/29/1091682629.db2.gz RMXMVJSSDDLBPK-GOSISDBHSA-N 1 3 367.493 4.500 20 5 FIBDHO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110791269 1091682638 /nfs/dbraw/zinc/68/26/38/1091682638.db2.gz RMXMVJSSDDLBPK-GOSISDBHSA-N 1 3 367.493 4.500 20 5 FIBDHO CCOc1ccc([C@@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423500592 1096699624 /nfs/dbraw/zinc/69/96/24/1096699624.db2.gz KNEDMZZIHZADDZ-CRAIPNDOSA-N 1 3 357.454 4.124 20 5 FIBDHO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536673571 1100157715 /nfs/dbraw/zinc/15/77/15/1100157715.db2.gz MECBUBCCKIBXKE-QRGKHIHXSA-N 1 3 365.477 4.062 20 5 FIBDHO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536673571 1100157730 /nfs/dbraw/zinc/15/77/30/1100157730.db2.gz MECBUBCCKIBXKE-QRGKHIHXSA-N 1 3 365.477 4.062 20 5 FIBDHO CC[NH+]1CCC(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000493275700 1119438131 /nfs/dbraw/zinc/43/81/31/1119438131.db2.gz BCHAKHUDMFIDIM-QFIPXVFZSA-N 1 3 367.493 4.396 20 5 FIBDHO C[N@@H+]1CCC[C@@H](CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000414187849 1084766832 /nfs/dbraw/zinc/76/68/32/1084766832.db2.gz QBYVPXNPOBZPEE-LAUBAEHRSA-N 1 3 353.466 4.006 20 5 FIBDHO C[N@H+]1CCC[C@@H](CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000414187849 1084766837 /nfs/dbraw/zinc/76/68/37/1084766837.db2.gz QBYVPXNPOBZPEE-LAUBAEHRSA-N 1 3 353.466 4.006 20 5 FIBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000536877488 1100399195 /nfs/dbraw/zinc/39/91/95/1100399195.db2.gz PAJOMFTVBODEEL-OAHLLOKOSA-N 1 3 365.543 4.318 20 5 FIBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+](C(C)(C)C)CC1 ZINC000536877488 1100399202 /nfs/dbraw/zinc/39/92/02/1100399202.db2.gz PAJOMFTVBODEEL-OAHLLOKOSA-N 1 3 365.543 4.318 20 5 FIBDHO Cc1c([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-] ZINC000162919972 1113249289 /nfs/dbraw/zinc/24/92/89/1113249289.db2.gz JSCPTHAOSWCNPZ-KRWDZBQOSA-N 1 3 353.466 4.350 20 5 FIBDHO CCCC[NH+]1CCC(N[C@@H](CC)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000504930344 1087996522 /nfs/dbraw/zinc/99/65/22/1087996522.db2.gz PJLYYLFOFAKMHH-INIZCTEOSA-N 1 3 365.543 4.320 20 5 FIBDHO C[NH+](C)Cc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417320967 1090812678 /nfs/dbraw/zinc/81/26/78/1090812678.db2.gz KVSMPZQOKKUYKI-NRFANRHFSA-N 1 3 353.466 4.214 20 5 FIBDHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814874 1099823972 /nfs/dbraw/zinc/82/39/72/1099823972.db2.gz JAVIPOMJYVCKRC-KBXCAEBGSA-N 1 3 359.495 4.095 20 5 FIBDHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814874 1099823986 /nfs/dbraw/zinc/82/39/86/1099823986.db2.gz JAVIPOMJYVCKRC-KBXCAEBGSA-N 1 3 359.495 4.095 20 5 FIBDHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152364703 1101783588 /nfs/dbraw/zinc/78/35/88/1101783588.db2.gz IUMYNSVXLBVUDQ-HUUCEWRRSA-N 1 3 371.506 4.458 20 5 FIBDHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152364703 1101783593 /nfs/dbraw/zinc/78/35/93/1101783593.db2.gz IUMYNSVXLBVUDQ-HUUCEWRRSA-N 1 3 371.506 4.458 20 5 FIBDHO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000486551913 1113592974 /nfs/dbraw/zinc/59/29/74/1113592974.db2.gz UJUGEQLAUDSFOO-YJATVDFVSA-N 1 3 365.477 4.108 20 5 FIBDHO Cc1ccc([C@@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000175061552 1113923459 /nfs/dbraw/zinc/92/34/59/1113923459.db2.gz YQXPKSJLMAVSNQ-QGZVFWFLSA-N 1 3 371.481 4.085 20 5 FIBDHO O=[N+]([O-])c1cccc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000574460325 1115386220 /nfs/dbraw/zinc/38/62/20/1115386220.db2.gz UBVXYJCLJBOIAE-UHFFFAOYSA-N 1 3 365.477 4.083 20 5 FIBDHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312531596 1125400189 /nfs/dbraw/zinc/40/01/89/1125400189.db2.gz PSLQFZKLHDONTL-WFXMLNOXSA-N 1 3 367.493 4.464 20 5 FIBDHO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000192619736 1102683884 /nfs/dbraw/zinc/68/38/84/1102683884.db2.gz JONBMPMNBQLZGQ-QFIPXVFZSA-N 1 3 365.477 4.358 20 5 FIBDHO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000486551912 1113593346 /nfs/dbraw/zinc/59/33/46/1113593346.db2.gz UJUGEQLAUDSFOO-MQEUPEBQSA-N 1 3 365.477 4.108 20 5 FIBDHO CN(C)CC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC000609709084 1123804293 /nfs/dbraw/zinc/80/42/93/1123804293.db2.gz STSBZIMKOHUSLL-LJQANCHMSA-N 1 3 359.470 4.311 20 5 FIBDHO CN(C)CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000609709036 1123804403 /nfs/dbraw/zinc/80/44/03/1123804403.db2.gz LWKKBJWHXVFPLO-IBGZPJMESA-N 1 3 359.470 4.311 20 5 FIBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CC(C)C)CC1 ZINC000504899188 1087956136 /nfs/dbraw/zinc/95/61/36/1087956136.db2.gz BZIFPISWMUHAKL-MRXNPFEDSA-N 1 3 365.543 4.176 20 5 FIBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+](CC(C)C)CC1 ZINC000504899188 1087956138 /nfs/dbraw/zinc/95/61/38/1087956138.db2.gz BZIFPISWMUHAKL-MRXNPFEDSA-N 1 3 365.543 4.176 20 5 FIBDHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000248753954 1107376724 /nfs/dbraw/zinc/37/67/24/1107376724.db2.gz CJPTVENTAJLCDW-LRGNLBRXSA-N 1 3 365.477 4.441 20 5 FIBDHO Cc1c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000447597150 1109591499 /nfs/dbraw/zinc/59/14/99/1109591499.db2.gz FKOQPUFRTJTJQO-MZADTFQBSA-N 1 3 365.477 4.188 20 5 FIBDHO CC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482435455 1113253689 /nfs/dbraw/zinc/25/36/89/1113253689.db2.gz HQUPOFQNFDMJRS-UGKGYDQZSA-N 1 3 367.493 4.200 20 5 FIBDHO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCN3CCCCC3)s2)cc1 ZINC000608835876 1116131228 /nfs/dbraw/zinc/13/12/28/1116131228.db2.gz SUZPEQPNIDEHQB-UHFFFAOYSA-N 1 3 359.495 4.289 20 5 FIBDHO Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000090217482 1118711531 /nfs/dbraw/zinc/71/15/31/1118711531.db2.gz GJUZOFNIENPJGK-DLBZAZTESA-N 1 3 371.481 4.255 20 5 FIBDHO Cc1ccc([C@H](C)N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000090217485 1118711603 /nfs/dbraw/zinc/71/16/03/1118711603.db2.gz GJUZOFNIENPJGK-SJORKVTESA-N 1 3 371.481 4.255 20 5 FIBDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C2 ZINC000554877827 1124582545 /nfs/dbraw/zinc/58/25/45/1124582545.db2.gz SJFCWYDSUWKDNE-XYPWUTKMSA-N 1 3 371.506 4.380 20 5 FIBDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C2 ZINC000554877827 1124582554 /nfs/dbraw/zinc/58/25/54/1124582554.db2.gz SJFCWYDSUWKDNE-XYPWUTKMSA-N 1 3 371.506 4.380 20 5 FIBDHO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000165314349 1080473592 /nfs/dbraw/zinc/47/35/92/1080473592.db2.gz CHRYZXVKITVJDU-ICSRJNTNSA-N 1 3 367.493 4.118 20 5 FIBDHO C[N@@H+]1CCC[C@H](CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000414187854 1084766490 /nfs/dbraw/zinc/76/64/90/1084766490.db2.gz QBYVPXNPOBZPEE-UTKZUKDTSA-N 1 3 353.466 4.006 20 5 FIBDHO C[N@H+]1CCC[C@H](CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000414187854 1084766500 /nfs/dbraw/zinc/76/65/00/1084766500.db2.gz QBYVPXNPOBZPEE-UTKZUKDTSA-N 1 3 353.466 4.006 20 5 FIBDHO CCC[NH+]1CCC(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491004866 1114359194 /nfs/dbraw/zinc/35/91/94/1114359194.db2.gz JQXRHCUYIPWCSQ-JOCHJYFZSA-N 1 3 367.493 4.396 20 5 FIBDHO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000495440340 1120824448 /nfs/dbraw/zinc/82/44/48/1120824448.db2.gz RGBQZMXLZXTEOF-BJLQDIEVSA-N 1 3 367.493 4.464 20 5 FIBDHO C[C@@H]1C[C@@H](CCNCc2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000513545574 1094205839 /nfs/dbraw/zinc/20/58/39/1094205839.db2.gz RIIGZUUCJZLXTO-NVXWUHKLSA-N 1 3 359.495 4.047 20 5 FIBDHO C[C@@H]1C[C@@H](CCNCc2csc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000513545574 1094205842 /nfs/dbraw/zinc/20/58/42/1094205842.db2.gz RIIGZUUCJZLXTO-NVXWUHKLSA-N 1 3 359.495 4.047 20 5 FIBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000532485563 1102426712 /nfs/dbraw/zinc/42/67/12/1102426712.db2.gz ZFMXOCUDZMSCQW-AZUAARDMSA-N 1 3 367.493 4.118 20 5 FIBDHO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(C[NH+]4CCCC4)CC3)o2)c1 ZINC000506869133 1102920539 /nfs/dbraw/zinc/92/05/39/1102920539.db2.gz XSHMFIUALJYUTM-UHFFFAOYSA-N 1 3 369.465 4.163 20 5 FIBDHO O=[N+]([O-])c1cccc([C@H](NCC2CC[NH+](C3CC3)CC2)c2ccccc2)c1 ZINC000447550674 1109567187 /nfs/dbraw/zinc/56/71/87/1109567187.db2.gz IFCBVKBVJKQKJW-JOCHJYFZSA-N 1 3 365.477 4.148 20 5 FIBDHO Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000090217498 1118711808 /nfs/dbraw/zinc/71/18/08/1118711808.db2.gz FGRRYLWCVWCDKN-DLBZAZTESA-N 1 3 371.481 4.255 20 5 FIBDHO CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000580962935 1084495523 /nfs/dbraw/zinc/49/55/23/1084495523.db2.gz LNTBXJAOCIQMQK-HXUWFJFHSA-N 1 3 353.466 4.212 20 5 FIBDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000580962935 1084495529 /nfs/dbraw/zinc/49/55/29/1084495529.db2.gz LNTBXJAOCIQMQK-HXUWFJFHSA-N 1 3 353.466 4.212 20 5 FIBDHO CCN1CCN(CCC[NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000236838629 1092427798 /nfs/dbraw/zinc/42/77/98/1092427798.db2.gz MQPAPSVUHVTMKP-UHFFFAOYSA-N 1 3 361.533 4.110 20 5 FIBDHO CCOc1ccc([C@@H](C)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423500594 1096699119 /nfs/dbraw/zinc/69/91/19/1096699119.db2.gz KNEDMZZIHZADDZ-QAPCUYQASA-N 1 3 357.454 4.124 20 5 FIBDHO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536673573 1100159027 /nfs/dbraw/zinc/15/90/27/1100159027.db2.gz MECBUBCCKIBXKE-WUTDNEBXSA-N 1 3 365.477 4.062 20 5 FIBDHO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536673573 1100159033 /nfs/dbraw/zinc/15/90/33/1100159033.db2.gz MECBUBCCKIBXKE-WUTDNEBXSA-N 1 3 365.477 4.062 20 5 FIBDHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152364433 1101784125 /nfs/dbraw/zinc/78/41/25/1101784125.db2.gz IUMYNSVXLBVUDQ-GJZGRUSLSA-N 1 3 371.506 4.458 20 5 FIBDHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152364433 1101784138 /nfs/dbraw/zinc/78/41/38/1101784138.db2.gz IUMYNSVXLBVUDQ-GJZGRUSLSA-N 1 3 371.506 4.458 20 5 FIBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000532485565 1102426125 /nfs/dbraw/zinc/42/61/25/1102426125.db2.gz ZFMXOCUDZMSCQW-QUCCMNQESA-N 1 3 367.493 4.118 20 5 FIBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000441512854 1104960216 /nfs/dbraw/zinc/96/02/16/1104960216.db2.gz RJOMPEMFTQDZFJ-GOSISDBHSA-N 1 3 367.493 4.500 20 5 FIBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000441512854 1104960218 /nfs/dbraw/zinc/96/02/18/1104960218.db2.gz RJOMPEMFTQDZFJ-GOSISDBHSA-N 1 3 367.493 4.500 20 5 FIBDHO CC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482435453 1113254077 /nfs/dbraw/zinc/25/40/77/1113254077.db2.gz HQUPOFQNFDMJRS-SIKLNZKXSA-N 1 3 367.493 4.200 20 5 FIBDHO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482437311 1113254751 /nfs/dbraw/zinc/25/47/51/1113254751.db2.gz DESVTWVCGGTBNG-QUCCMNQESA-N 1 3 367.493 4.118 20 5 FIBDHO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486551910 1113593078 /nfs/dbraw/zinc/59/30/78/1113593078.db2.gz UJUGEQLAUDSFOO-AYPAESJBSA-N 1 3 365.477 4.108 20 5 FIBDHO Cc1ccc([C@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000090217501 1118711460 /nfs/dbraw/zinc/71/14/60/1118711460.db2.gz FGRRYLWCVWCDKN-SJORKVTESA-N 1 3 371.481 4.255 20 5 FIBDHO [NH3+]CCC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000569814821 568427220 /nfs/dbraw/zinc/42/72/20/568427220.db2.gz KHMMSLMWVUEVSS-UHFFFAOYSA-N 1 3 363.845 4.069 20 5 FIBDHO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423214259 1096619379 /nfs/dbraw/zinc/61/93/79/1096619379.db2.gz LAVFVPMJUSMVFA-SOUVJXGZSA-N 1 3 359.495 4.362 20 5 FIBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000532485566 1102426383 /nfs/dbraw/zinc/42/63/83/1102426383.db2.gz ZFMXOCUDZMSCQW-UYAOXDASSA-N 1 3 367.493 4.118 20 5 FIBDHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000248753953 1107376933 /nfs/dbraw/zinc/37/69/33/1107376933.db2.gz CJPTVENTAJLCDW-DVWBAYGPSA-N 1 3 365.477 4.441 20 5 FIBDHO Cc1ccc([C@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000162914313 1113244702 /nfs/dbraw/zinc/24/47/02/1113244702.db2.gz JDONDVFTAUWCAP-KRWDZBQOSA-N 1 3 353.466 4.350 20 5 FIBDHO O=[N+]([O-])c1ccccc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000556882758 1123169525 /nfs/dbraw/zinc/16/95/25/1123169525.db2.gz CWRWIDYXCQTHOL-UHFFFAOYSA-N 1 3 365.477 4.083 20 5 FIBDHO CCOc1ccc([C@@H](C)[NH2+][C@H](CCN(C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000504929167 1087996685 /nfs/dbraw/zinc/99/66/85/1087996685.db2.gz HBFPOYQAYCHVQN-RDTXWAMCSA-N 1 3 351.491 4.011 20 5 FIBDHO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCN2CCCCC2)s1 ZINC000518769670 1101527661 /nfs/dbraw/zinc/52/76/61/1101527661.db2.gz OVLMBQOCAKIORP-UHFFFAOYSA-N 1 3 359.495 4.289 20 5 FIBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000441512857 1104960382 /nfs/dbraw/zinc/96/03/82/1104960382.db2.gz RJOMPEMFTQDZFJ-SFHVURJKSA-N 1 3 367.493 4.500 20 5 FIBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000441512857 1104960384 /nfs/dbraw/zinc/96/03/84/1104960384.db2.gz RJOMPEMFTQDZFJ-SFHVURJKSA-N 1 3 367.493 4.500 20 5 FIBDHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000453228661 1108301391 /nfs/dbraw/zinc/30/13/91/1108301391.db2.gz AUWHDDGCRKYSTL-VHHKXPHXSA-N 1 3 365.477 4.441 20 5 FIBDHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192827986 1112565403 /nfs/dbraw/zinc/56/54/03/1112565403.db2.gz XYOXQAKESNHDBE-OAQYLSRUSA-N 1 3 353.466 4.214 20 5 FIBDHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192827986 1112565407 /nfs/dbraw/zinc/56/54/07/1112565407.db2.gz XYOXQAKESNHDBE-OAQYLSRUSA-N 1 3 353.466 4.214 20 5 FIBDHO CC[NH+]1CCC(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000493275699 1119438122 /nfs/dbraw/zinc/43/81/22/1119438122.db2.gz BCHAKHUDMFIDIM-JOCHJYFZSA-N 1 3 367.493 4.396 20 5 FIBDHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088440 1084307365 /nfs/dbraw/zinc/30/73/65/1084307365.db2.gz DFWJGULRFSTYIG-LSDHHAIUSA-N 1 3 359.495 4.316 20 5 FIBDHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088440 1084307373 /nfs/dbraw/zinc/30/73/73/1084307373.db2.gz DFWJGULRFSTYIG-LSDHHAIUSA-N 1 3 359.495 4.316 20 5 FIBDHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178654939 1085679341 /nfs/dbraw/zinc/67/93/41/1085679341.db2.gz AUWHDDGCRKYSTL-OAIAAZCPSA-N 1 3 365.477 4.441 20 5 FIBDHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566572982 1091052799 /nfs/dbraw/zinc/05/27/99/1091052799.db2.gz ZNTXNBRNJJJPTF-FQEVSTJZSA-N 1 3 353.466 4.214 20 5 FIBDHO C[NH+](C)Cc1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000433152635 1093339810 /nfs/dbraw/zinc/33/98/10/1093339810.db2.gz SHCAGSZJZSJWMF-HXUWFJFHSA-N 1 3 353.466 4.169 20 5 FIBDHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088128 1084387488 /nfs/dbraw/zinc/38/74/88/1084387488.db2.gz DFWJGULRFSTYIG-GJZGRUSLSA-N 1 3 359.495 4.316 20 5 FIBDHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088128 1084387505 /nfs/dbraw/zinc/38/75/05/1084387505.db2.gz DFWJGULRFSTYIG-GJZGRUSLSA-N 1 3 359.495 4.316 20 5 FIBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000504912338 1087981608 /nfs/dbraw/zinc/98/16/08/1087981608.db2.gz UYCUHODYXUQYKG-HNNXBMFYSA-N 1 3 363.527 4.072 20 5 FIBDHO C[NH+]1CCC(C)(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000507446575 1103394945 /nfs/dbraw/zinc/39/49/45/1103394945.db2.gz FIDTZVVUCJGZMS-FQEVSTJZSA-N 1 3 353.466 4.006 20 5 FIBDHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000248753956 1107375615 /nfs/dbraw/zinc/37/56/15/1107375615.db2.gz CJPTVENTAJLCDW-RZXSNQJFSA-N 1 3 365.477 4.441 20 5 FIBDHO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000495440341 1120823988 /nfs/dbraw/zinc/82/39/88/1120823988.db2.gz RGBQZMXLZXTEOF-CMKODMSKSA-N 1 3 367.493 4.464 20 5 FIBDHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311820346 1125228138 /nfs/dbraw/zinc/22/81/38/1125228138.db2.gz NDAOMRMOJOKZFD-ABSDTBQOSA-N 1 3 353.466 4.156 20 5 FIBDHO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN(C2CCCCC2)CC1)C1CC1 ZINC000157515120 1079921716 /nfs/dbraw/zinc/92/17/16/1079921716.db2.gz NVTHBTWLQCEZJU-OAQYLSRUSA-N 1 3 371.525 4.303 20 5 FIBDHO O=[N+]([O-])c1ccccc1C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000157515120 1079921717 /nfs/dbraw/zinc/92/17/17/1079921717.db2.gz NVTHBTWLQCEZJU-OAQYLSRUSA-N 1 3 371.525 4.303 20 5 FIBDHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640298 1085416079 /nfs/dbraw/zinc/41/60/79/1085416079.db2.gz CDSLYNAHCKGQHY-KRWDZBQOSA-N 1 3 353.466 4.432 20 5 FIBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000566474278 1090861700 /nfs/dbraw/zinc/86/17/00/1090861700.db2.gz GFTHXYGCHWYBMQ-DNVCBOLYSA-N 1 3 371.506 4.145 20 5 FIBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000566474278 1090861706 /nfs/dbraw/zinc/86/17/06/1090861706.db2.gz GFTHXYGCHWYBMQ-DNVCBOLYSA-N 1 3 371.506 4.145 20 5 FIBDHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814883 1099824143 /nfs/dbraw/zinc/82/41/43/1099824143.db2.gz JAVIPOMJYVCKRC-RDTXWAMCSA-N 1 3 359.495 4.095 20 5 FIBDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814883 1099824151 /nfs/dbraw/zinc/82/41/51/1099824151.db2.gz JAVIPOMJYVCKRC-RDTXWAMCSA-N 1 3 359.495 4.095 20 5 FIBDHO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)s1 ZINC000171050235 1113304301 /nfs/dbraw/zinc/30/43/01/1113304301.db2.gz VDTGCOWUNDAPIH-UHFFFAOYSA-N 1 3 371.506 4.287 20 5 FIBDHO CCOc1ccc([C@H](C)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423500593 1096699242 /nfs/dbraw/zinc/69/92/42/1096699242.db2.gz KNEDMZZIHZADDZ-MAUKXSAKSA-N 1 3 357.454 4.124 20 5 FIBDHO CN(C)CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000523864073 1108614481 /nfs/dbraw/zinc/61/44/81/1108614481.db2.gz GIRXDCADCJFQIX-LJQANCHMSA-N 1 3 359.470 4.311 20 5 FIBDHO O=[N+]([O-])c1cccc([C@@H](NCC2CC[NH+](C3CC3)CC2)c2ccccc2)c1 ZINC000447550675 1109566927 /nfs/dbraw/zinc/56/69/27/1109566927.db2.gz IFCBVKBVJKQKJW-QFIPXVFZSA-N 1 3 365.477 4.148 20 5 FIBDHO CC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482435447 1113254068 /nfs/dbraw/zinc/25/40/68/1113254068.db2.gz HQUPOFQNFDMJRS-DENIHFKCSA-N 1 3 367.493 4.200 20 5 FIBDHO C[N@@H+]1CCC[C@@H](CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000414187856 1084767207 /nfs/dbraw/zinc/76/72/07/1084767207.db2.gz QBYVPXNPOBZPEE-UWJYYQICSA-N 1 3 353.466 4.006 20 5 FIBDHO C[N@H+]1CCC[C@@H](CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000414187856 1084767213 /nfs/dbraw/zinc/76/72/13/1084767213.db2.gz QBYVPXNPOBZPEE-UWJYYQICSA-N 1 3 353.466 4.006 20 5 FIBDHO C[C@@H]1C[C@H](CCNCc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000478197675 1084923316 /nfs/dbraw/zinc/92/33/16/1084923316.db2.gz OAMLKONVZYNYEZ-AEFFLSMTSA-N 1 3 371.456 4.124 20 5 FIBDHO C[C@@H]1C[C@H](CCNCc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000478197675 1084923318 /nfs/dbraw/zinc/92/33/18/1084923318.db2.gz OAMLKONVZYNYEZ-AEFFLSMTSA-N 1 3 371.456 4.124 20 5 FIBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000504930287 1087996228 /nfs/dbraw/zinc/99/62/28/1087996228.db2.gz ORUMSKKHPWXTPF-AWEZNQCLSA-N 1 3 365.543 4.364 20 5 FIBDHO C[NH+](C)Cc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417327150 1090808467 /nfs/dbraw/zinc/80/84/67/1090808467.db2.gz RYAUMYPSVZIHAU-OAQYLSRUSA-N 1 3 353.466 4.214 20 5 FIBDHO C[C@@H]1C[C@H](CCNCc2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000513545576 1094205941 /nfs/dbraw/zinc/20/59/41/1094205941.db2.gz RIIGZUUCJZLXTO-WBVHZDCISA-N 1 3 359.495 4.047 20 5 FIBDHO C[C@@H]1C[C@H](CCNCc2csc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000513545576 1094205943 /nfs/dbraw/zinc/20/59/43/1094205943.db2.gz RIIGZUUCJZLXTO-WBVHZDCISA-N 1 3 359.495 4.047 20 5 FIBDHO Cc1c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000447597152 1109591926 /nfs/dbraw/zinc/59/19/26/1109591926.db2.gz FKOQPUFRTJTJQO-WKCHPHFGSA-N 1 3 365.477 4.188 20 5 FIBDHO Cc1ccc([C@@H](C)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000162914209 1113244650 /nfs/dbraw/zinc/24/46/50/1113244650.db2.gz JDONDVFTAUWCAP-QGZVFWFLSA-N 1 3 353.466 4.350 20 5 FIBDHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482437306 1113254640 /nfs/dbraw/zinc/25/46/40/1113254640.db2.gz DESVTWVCGGTBNG-AZUAARDMSA-N 1 3 367.493 4.118 20 5 FIBDHO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000495440343 1120824648 /nfs/dbraw/zinc/82/46/48/1120824648.db2.gz RGBQZMXLZXTEOF-WSTZPKSXSA-N 1 3 367.493 4.464 20 5 FIBDHO CN(C)CC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC000609709083 1123804470 /nfs/dbraw/zinc/80/44/70/1123804470.db2.gz STSBZIMKOHUSLL-IBGZPJMESA-N 1 3 359.470 4.311 20 5 FIBDHO Cc1c([C@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000165178681 1080351477 /nfs/dbraw/zinc/35/14/77/1080351477.db2.gz JJMWDVPYWLZSOP-KRWDZBQOSA-N 1 3 371.481 4.085 20 5 FIBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000110791267 1091684876 /nfs/dbraw/zinc/68/48/76/1091684876.db2.gz RMXMVJSSDDLBPK-SFHVURJKSA-N 1 3 367.493 4.500 20 5 FIBDHO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110791267 1091684887 /nfs/dbraw/zinc/68/48/87/1091684887.db2.gz RMXMVJSSDDLBPK-SFHVURJKSA-N 1 3 367.493 4.500 20 5 FIBDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814878 1099824829 /nfs/dbraw/zinc/82/48/29/1099824829.db2.gz JAVIPOMJYVCKRC-KDOFPFPSSA-N 1 3 359.495 4.095 20 5 FIBDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000516814878 1099824851 /nfs/dbraw/zinc/82/48/51/1099824851.db2.gz JAVIPOMJYVCKRC-KDOFPFPSSA-N 1 3 359.495 4.095 20 5 FIBDHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000482437312 1113254598 /nfs/dbraw/zinc/25/45/98/1113254598.db2.gz DESVTWVCGGTBNG-UYAOXDASSA-N 1 3 367.493 4.118 20 5 FIBDHO Cc1ccc([C@@H](C)N[C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000090217500 1118712040 /nfs/dbraw/zinc/71/20/40/1118712040.db2.gz FGRRYLWCVWCDKN-IAGOWNOFSA-N 1 3 371.481 4.255 20 5 FIBDHO CCCN1CCC([N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000510468684 1082935953 /nfs/dbraw/zinc/93/59/53/1082935953.db2.gz GFUNKGMTZOPLMW-UHFFFAOYSA-N 1 3 357.454 4.161 20 5 FIBDHO CCCN1CCC([N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000510468684 1082935955 /nfs/dbraw/zinc/93/59/55/1082935955.db2.gz GFUNKGMTZOPLMW-UHFFFAOYSA-N 1 3 357.454 4.161 20 5 FIBDHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000248753955 1107375962 /nfs/dbraw/zinc/37/59/62/1107375962.db2.gz CJPTVENTAJLCDW-OTNPHJDUSA-N 1 3 365.477 4.441 20 5 FIBDHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000608836225 1116131277 /nfs/dbraw/zinc/13/12/77/1116131277.db2.gz QUZSAUNIMCPXAD-QGZVFWFLSA-N 1 3 371.481 4.457 20 5 FIBDHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000608836225 1116131279 /nfs/dbraw/zinc/13/12/79/1116131279.db2.gz QUZSAUNIMCPXAD-QGZVFWFLSA-N 1 3 371.481 4.457 20 5 FIBDHO Cc1ccc([C@H](C)N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000090217483 1118711383 /nfs/dbraw/zinc/71/13/83/1118711383.db2.gz GJUZOFNIENPJGK-IRXDYDNUSA-N 1 3 371.481 4.255 20 5 FIBDHO CC[NH+](CC)Cc1ccccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568768056 568195827 /nfs/dbraw/zinc/19/58/27/568195827.db2.gz FAQZVZLNWFWQJV-FQEVSTJZSA-N 1 3 353.466 4.214 20 5 FIBDHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088586 1084384509 /nfs/dbraw/zinc/38/45/09/1084384509.db2.gz DFWJGULRFSTYIG-HUUCEWRRSA-N 1 3 359.495 4.316 20 5 FIBDHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088586 1084384515 /nfs/dbraw/zinc/38/45/15/1084384515.db2.gz DFWJGULRFSTYIG-HUUCEWRRSA-N 1 3 359.495 4.316 20 5 FIBDHO CN(C)CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000523864072 1108615015 /nfs/dbraw/zinc/61/50/15/1108615015.db2.gz GIRXDCADCJFQIX-IBGZPJMESA-N 1 3 359.470 4.311 20 5 FIBDHO CC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000482435450 1113253864 /nfs/dbraw/zinc/25/38/64/1113253864.db2.gz HQUPOFQNFDMJRS-KNQAVFIVSA-N 1 3 367.493 4.200 20 5 FIBDHO Cc1c(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000556281994 1122780933 /nfs/dbraw/zinc/78/09/33/1122780933.db2.gz WEKWAXMMTYEJEY-UHFFFAOYSA-N 1 3 367.493 4.247 20 5 FIBDHO Cc1c(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000556281994 1122780938 /nfs/dbraw/zinc/78/09/38/1122780938.db2.gz WEKWAXMMTYEJEY-UHFFFAOYSA-N 1 3 367.493 4.247 20 5 FIBDHO CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000580962931 1082255135 /nfs/dbraw/zinc/25/51/35/1082255135.db2.gz LNTBXJAOCIQMQK-FQEVSTJZSA-N 1 3 353.466 4.212 20 5 FIBDHO CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000580962931 1082255139 /nfs/dbraw/zinc/25/51/39/1082255139.db2.gz LNTBXJAOCIQMQK-FQEVSTJZSA-N 1 3 353.466 4.212 20 5 FIBDHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088289 1084356181 /nfs/dbraw/zinc/35/61/81/1084356181.db2.gz DFWJGULRFSTYIG-CABCVRRESA-N 1 3 359.495 4.316 20 5 FIBDHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000158088289 1084356195 /nfs/dbraw/zinc/35/61/95/1084356195.db2.gz DFWJGULRFSTYIG-CABCVRRESA-N 1 3 359.495 4.316 20 5 FIBDHO C[NH+]1CCC(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180455929 1087924720 /nfs/dbraw/zinc/92/47/20/1087924720.db2.gz FAJNHWOGGLSFOR-OAQYLSRUSA-N 1 3 353.466 4.006 20 5 FIBDHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566572983 1091052434 /nfs/dbraw/zinc/05/24/34/1091052434.db2.gz ZNTXNBRNJJJPTF-HXUWFJFHSA-N 1 3 353.466 4.214 20 5 FIBDHO C[C@H]1C[C@H](CCNCc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000478197681 1111711549 /nfs/dbraw/zinc/71/15/49/1111711549.db2.gz OAMLKONVZYNYEZ-WMZOPIPTSA-N 1 3 371.456 4.124 20 5 FIBDHO C[C@H]1C[C@H](CCNCc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000478197681 1111711554 /nfs/dbraw/zinc/71/15/54/1111711554.db2.gz OAMLKONVZYNYEZ-WMZOPIPTSA-N 1 3 371.456 4.124 20 5 FIBDHO CC[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000162922209 1113251989 /nfs/dbraw/zinc/25/19/89/1113251989.db2.gz ODALPLZRKDWOGZ-OAQYLSRUSA-N 1 3 353.466 4.432 20 5 FIBDHO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000165314214 1080473136 /nfs/dbraw/zinc/47/31/36/1080473136.db2.gz CHRYZXVKITVJDU-QUCCMNQESA-N 1 3 367.493 4.118 20 5 FIBDHO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000165314475 1080473275 /nfs/dbraw/zinc/47/32/75/1080473275.db2.gz CHRYZXVKITVJDU-UYAOXDASSA-N 1 3 367.493 4.118 20 5 FIBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000504930627 1087995978 /nfs/dbraw/zinc/99/59/78/1087995978.db2.gz RHESICVQFCXLAZ-SJORKVTESA-N 1 3 365.543 4.176 20 5 FIBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000504930627 1087995979 /nfs/dbraw/zinc/99/59/79/1087995979.db2.gz RHESICVQFCXLAZ-SJORKVTESA-N 1 3 365.543 4.176 20 5 FIBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000504930627 1087995981 /nfs/dbraw/zinc/99/59/81/1087995981.db2.gz RHESICVQFCXLAZ-SJORKVTESA-N 1 3 365.543 4.176 20 5 FIBDHO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)s2)cc1 ZINC000171050210 1113304444 /nfs/dbraw/zinc/30/44/44/1113304444.db2.gz QOPVXSISUNCMFI-UHFFFAOYSA-N 1 3 371.506 4.287 20 5 FIBDHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000534347022 1116187141 /nfs/dbraw/zinc/18/71/41/1116187141.db2.gz UVWBTJUYQCMNKO-UHFFFAOYSA-N 1 3 371.481 4.407 20 5 FIBDHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000534347022 1116187143 /nfs/dbraw/zinc/18/71/43/1116187143.db2.gz UVWBTJUYQCMNKO-UHFFFAOYSA-N 1 3 371.481 4.407 20 5 FIBDHO C[N@@H+]1CCC[C@H](CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000414187846 1084767032 /nfs/dbraw/zinc/76/70/32/1084767032.db2.gz QBYVPXNPOBZPEE-DYESRHJHSA-N 1 3 353.466 4.006 20 5 FIBDHO C[N@H+]1CCC[C@H](CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000414187846 1084767036 /nfs/dbraw/zinc/76/70/36/1084767036.db2.gz QBYVPXNPOBZPEE-DYESRHJHSA-N 1 3 353.466 4.006 20 5 FIBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162919585 1086465772 /nfs/dbraw/zinc/46/57/72/1086465772.db2.gz DPBZWQMNDZOCET-QGZVFWFLSA-N 1 3 353.466 4.350 20 5 FIBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000504912339 1087981430 /nfs/dbraw/zinc/98/14/30/1087981430.db2.gz UYCUHODYXUQYKG-OAHLLOKOSA-N 1 3 363.527 4.072 20 5 FIBDHO C[C@H]1C[C@H](CCNCc2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000513545575 1094206136 /nfs/dbraw/zinc/20/61/36/1094206136.db2.gz RIIGZUUCJZLXTO-RDJZCZTQSA-N 1 3 359.495 4.047 20 5 FIBDHO C[C@H]1C[C@H](CCNCc2csc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000513545575 1094206141 /nfs/dbraw/zinc/20/61/41/1094206141.db2.gz RIIGZUUCJZLXTO-RDJZCZTQSA-N 1 3 359.495 4.047 20 5 FIBDHO CC[N@H+](CCC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537844995 1103967514 /nfs/dbraw/zinc/96/75/14/1103967514.db2.gz AKDKZSKXFMPPJO-KRWDZBQOSA-N 1 3 359.514 4.490 20 5 FIBDHO CC[N@@H+](CCC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537844995 1103967517 /nfs/dbraw/zinc/96/75/17/1103967517.db2.gz AKDKZSKXFMPPJO-KRWDZBQOSA-N 1 3 359.514 4.490 20 5 FIBDHO CC[N@H+](CCC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537844996 1103967741 /nfs/dbraw/zinc/96/77/41/1103967741.db2.gz AKDKZSKXFMPPJO-QGZVFWFLSA-N 1 3 359.514 4.490 20 5 FIBDHO CC[N@@H+](CCC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000537844996 1103967744 /nfs/dbraw/zinc/96/77/44/1103967744.db2.gz AKDKZSKXFMPPJO-QGZVFWFLSA-N 1 3 359.514 4.490 20 5 FIBDHO C[C@@H]1C[C@@H](CCNCc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000478197679 1111712007 /nfs/dbraw/zinc/71/20/07/1111712007.db2.gz OAMLKONVZYNYEZ-SJLPKXTDSA-N 1 3 371.456 4.124 20 5 FIBDHO C[C@@H]1C[C@@H](CCNCc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000478197679 1111712012 /nfs/dbraw/zinc/71/20/12/1111712012.db2.gz OAMLKONVZYNYEZ-SJLPKXTDSA-N 1 3 371.456 4.124 20 5 FIBDHO Cc1ccc([C@H](C)NCc2ccc(OCCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000175061572 1113923276 /nfs/dbraw/zinc/92/32/76/1113923276.db2.gz YQXPKSJLMAVSNQ-KRWDZBQOSA-N 1 3 371.481 4.085 20 5 FIBDHO Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000495440342 1120824233 /nfs/dbraw/zinc/82/42/33/1120824233.db2.gz RGBQZMXLZXTEOF-HBFSDRIKSA-N 1 3 367.493 4.464 20 5 FIBDHO CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568768057 568195861 /nfs/dbraw/zinc/19/58/61/568195861.db2.gz FAQZVZLNWFWQJV-HXUWFJFHSA-N 1 3 353.466 4.214 20 5 FIBDHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178654956 1085679959 /nfs/dbraw/zinc/67/99/59/1085679959.db2.gz AUWHDDGCRKYSTL-YRBBNYTNSA-N 1 3 365.477 4.441 20 5 FIBDHO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000504929165 1087995834 /nfs/dbraw/zinc/99/58/34/1087995834.db2.gz HBFPOYQAYCHVQN-KDOFPFPSSA-N 1 3 351.491 4.011 20 5 FIBDHO CCCC[NH+]1CCC(N[C@H](CC)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000504930345 1087996263 /nfs/dbraw/zinc/99/62/63/1087996263.db2.gz PJLYYLFOFAKMHH-MRXNPFEDSA-N 1 3 365.543 4.320 20 5 FIBDHO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000192619724 1102684140 /nfs/dbraw/zinc/68/41/40/1102684140.db2.gz JONBMPMNBQLZGQ-JOCHJYFZSA-N 1 3 365.477 4.358 20 5 FIBDHO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536673570 1100158748 /nfs/dbraw/zinc/15/87/48/1100158748.db2.gz MECBUBCCKIBXKE-OEMHODTASA-N 1 3 365.477 4.062 20 5 FIBDHO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000536673570 1100158754 /nfs/dbraw/zinc/15/87/54/1100158754.db2.gz MECBUBCCKIBXKE-OEMHODTASA-N 1 3 365.477 4.062 20 5 FIBDHO O=[N+]([O-])c1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536488341 1105167054 /nfs/dbraw/zinc/16/70/54/1105167054.db2.gz OJOJLQWRYGLGPV-UHFFFAOYSA-N 1 3 365.477 4.083 20 5 FIBDHO O=[N+]([O-])c1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536488341 1105167058 /nfs/dbraw/zinc/16/70/58/1105167058.db2.gz OJOJLQWRYGLGPV-UHFFFAOYSA-N 1 3 365.477 4.083 20 5 FIBDHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000608836224 1116131141 /nfs/dbraw/zinc/13/11/41/1116131141.db2.gz QUZSAUNIMCPXAD-KRWDZBQOSA-N 1 3 371.481 4.457 20 5 FIBDHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000608836224 1116131142 /nfs/dbraw/zinc/13/11/42/1116131142.db2.gz QUZSAUNIMCPXAD-KRWDZBQOSA-N 1 3 371.481 4.457 20 5 FIBDHO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311820349 1125228592 /nfs/dbraw/zinc/22/85/92/1125228592.db2.gz NDAOMRMOJOKZFD-SQGPQFPESA-N 1 3 353.466 4.156 20 5 FIBDHO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000312531589 1125399810 /nfs/dbraw/zinc/39/98/10/1125399810.db2.gz PSLQFZKLHDONTL-BBTUJRGHSA-N 1 3 367.493 4.464 20 5 FIBDHO C[NH+](C)Cc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417327147 1090809278 /nfs/dbraw/zinc/80/92/78/1090809278.db2.gz RYAUMYPSVZIHAU-NRFANRHFSA-N 1 3 353.466 4.214 20 5 FIBDHO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311820347 1125228486 /nfs/dbraw/zinc/22/84/86/1125228486.db2.gz NDAOMRMOJOKZFD-QKLQHJQFSA-N 1 3 353.466 4.156 20 5 FIBDHO CCCN1CCC([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510468324 1082922948 /nfs/dbraw/zinc/92/29/48/1082922948.db2.gz ACNXNCVLFBHQHG-UHFFFAOYSA-N 1 3 357.454 4.161 20 5 FIBDHO CCCN1CCC([N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000510468324 1082922950 /nfs/dbraw/zinc/92/29/50/1082922950.db2.gz ACNXNCVLFBHQHG-UHFFFAOYSA-N 1 3 357.454 4.161 20 5 FIBDHO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423214255 1096619584 /nfs/dbraw/zinc/61/95/84/1096619584.db2.gz LAVFVPMJUSMVFA-KKUMJFAQSA-N 1 3 359.495 4.362 20 5 FIBDHO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536673572 1100158548 /nfs/dbraw/zinc/15/85/48/1100158548.db2.gz MECBUBCCKIBXKE-RVPHRTOXSA-N 1 3 365.477 4.062 20 5 FIBDHO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCN(Cc2ccccc2)C1 ZINC000536673572 1100158558 /nfs/dbraw/zinc/15/85/58/1100158558.db2.gz MECBUBCCKIBXKE-RVPHRTOXSA-N 1 3 365.477 4.062 20 5 FIBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000532485564 1102426587 /nfs/dbraw/zinc/42/65/87/1102426587.db2.gz ZFMXOCUDZMSCQW-ICSRJNTNSA-N 1 3 367.493 4.118 20 5 FIBDHO C[C@H]1C[C@@H](CCNCc2ccc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000478197677 1111711886 /nfs/dbraw/zinc/71/18/86/1111711886.db2.gz OAMLKONVZYNYEZ-FUHWJXTLSA-N 1 3 371.456 4.124 20 5 FIBDHO C[C@H]1C[C@@H](CCNCc2ccc([N+](=O)[O-])cc2F)C[N@H+]1Cc1ccccc1 ZINC000478197677 1111711892 /nfs/dbraw/zinc/71/18/92/1111711892.db2.gz OAMLKONVZYNYEZ-FUHWJXTLSA-N 1 3 371.456 4.124 20 5 FIBDHO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000486551911 1113593456 /nfs/dbraw/zinc/59/34/56/1113593456.db2.gz UJUGEQLAUDSFOO-IITQPQQBSA-N 1 3 365.477 4.108 20 5 FIBDHO Cc1ccc([C@H](C)N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000090217499 1118712090 /nfs/dbraw/zinc/71/20/90/1118712090.db2.gz FGRRYLWCVWCDKN-IRXDYDNUSA-N 1 3 371.481 4.255 20 5 FIBDHO