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@H](CNCc1nc2c(s1)C[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC001576033903 1088868871 /nfs/dbraw/zinc/86/88/71/1088868871.db2.gz XRWIYPFOJGUJQV-LLVKDONJSA-N 1 3 332.429 2.590 20 5 EFBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414769754 244336981 /nfs/dbraw/zinc/33/69/81/244336981.db2.gz NQVSNKQDNBWOIO-TXEJJXNPSA-N 1 3 341.358 2.628 20 5 EFBDHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344091498 145365875 /nfs/dbraw/zinc/36/58/75/145365875.db2.gz NMZPIYZILKUQMX-FUHWJXTLSA-N 1 3 349.475 2.864 20 5 EFBDHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344091498 145365876 /nfs/dbraw/zinc/36/58/76/145365876.db2.gz NMZPIYZILKUQMX-FUHWJXTLSA-N 1 3 349.475 2.864 20 5 EFBDHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271559997 266007938 /nfs/dbraw/zinc/00/79/38/266007938.db2.gz WNHVNCAPXHSQIE-UCLAIMLFSA-N 1 3 347.459 2.932 20 5 EFBDHO Cc1c([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000271560179 266009841 /nfs/dbraw/zinc/00/98/41/266009841.db2.gz WQJDJEZRXCIXPM-KYNGSXCRSA-N 1 3 347.459 2.932 20 5 EFBDHO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000277107601 267114938 /nfs/dbraw/zinc/11/49/38/267114938.db2.gz GXIBEBSYEVMGEE-OAHLLOKOSA-N 1 3 348.447 2.648 20 5 EFBDHO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000277107601 267114939 /nfs/dbraw/zinc/11/49/39/267114939.db2.gz GXIBEBSYEVMGEE-OAHLLOKOSA-N 1 3 348.447 2.648 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277385581 267169178 /nfs/dbraw/zinc/16/91/78/267169178.db2.gz YNNOOLPXVCDBIA-HNNXBMFYSA-N 1 3 348.447 2.648 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277385581 267169179 /nfs/dbraw/zinc/16/91/79/267169179.db2.gz YNNOOLPXVCDBIA-HNNXBMFYSA-N 1 3 348.447 2.648 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N)CCCCC1 ZINC000414835619 312056270 /nfs/dbraw/zinc/05/62/70/312056270.db2.gz DNEMDVIEGXDLCW-ZDUSSCGKSA-N 1 3 334.420 2.563 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420354373 312363556 /nfs/dbraw/zinc/36/35/56/312363556.db2.gz BFPPNXDYHGRIOZ-KRWDZBQOSA-N 1 3 348.447 2.729 20 5 EFBDHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000552100619 318242371 /nfs/dbraw/zinc/24/23/71/318242371.db2.gz OFPDXQLNXHBBHR-YOEHRIQHSA-N 1 3 348.447 2.776 20 5 EFBDHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000552100619 318242374 /nfs/dbraw/zinc/24/23/74/318242374.db2.gz OFPDXQLNXHBBHR-YOEHRIQHSA-N 1 3 348.447 2.776 20 5 EFBDHO CN1CCC[C@H]1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000124713585 473291809 /nfs/dbraw/zinc/29/18/09/473291809.db2.gz DOBBJTULBKGNOW-HNNXBMFYSA-N 1 3 333.432 2.922 20 5 EFBDHO CCN1CCN(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154272205 472408561 /nfs/dbraw/zinc/40/85/61/472408561.db2.gz VXGFYCXZVXWTAT-MRXNPFEDSA-N 1 3 334.464 2.581 20 5 EFBDHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154395389 472426505 /nfs/dbraw/zinc/42/65/05/472426505.db2.gz IEQZWRAAWIVBLC-SFHVURJKSA-N 1 3 334.464 2.663 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154527356 472442816 /nfs/dbraw/zinc/44/28/16/472442816.db2.gz UTPYDYQJNZMPLJ-MRXNPFEDSA-N 1 3 334.464 2.663 20 5 EFBDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155649743 472588406 /nfs/dbraw/zinc/58/84/06/472588406.db2.gz HUJZAMPXLQMWIS-HOTGVXAUSA-N 1 3 334.464 2.580 20 5 EFBDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000155650695 472588954 /nfs/dbraw/zinc/58/89/54/472588954.db2.gz QKNOTUWWZQGYRE-HOCLYGCPSA-N 1 3 334.464 2.580 20 5 EFBDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000158928931 472980167 /nfs/dbraw/zinc/98/01/67/472980167.db2.gz RRAJGKCFRLNSLH-INIZCTEOSA-N 1 3 349.479 2.768 20 5 EFBDHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000158928931 472980172 /nfs/dbraw/zinc/98/01/72/472980172.db2.gz RRAJGKCFRLNSLH-INIZCTEOSA-N 1 3 349.479 2.768 20 5 EFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282504355 474090021 /nfs/dbraw/zinc/09/00/21/474090021.db2.gz YKOZFBOYGUYEIC-MRXNPFEDSA-N 1 3 348.491 2.532 20 5 EFBDHO Cc1c(NC(=O)CCN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000422640280 476727323 /nfs/dbraw/zinc/72/73/23/476727323.db2.gz VJASVBAULHKGKC-NFAWXSAZSA-N 1 3 348.447 2.537 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422641306 476728180 /nfs/dbraw/zinc/72/81/80/476728180.db2.gz XMWUEHWLYXGIGM-YUELXQCFSA-N 1 3 348.447 2.537 20 5 EFBDHO CCOC(=O)C1([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422942443 476857416 /nfs/dbraw/zinc/85/74/16/476857416.db2.gz KFKBFIOHBIDSNL-KGLIPLIRSA-N 1 3 349.431 2.567 20 5 EFBDHO CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC[NH2+]CC1 ZINC000431069461 476971560 /nfs/dbraw/zinc/97/15/60/476971560.db2.gz LWZOROBYIFGYCR-UHFFFAOYSA-N 1 3 348.447 2.696 20 5 EFBDHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541233 477008205 /nfs/dbraw/zinc/00/82/05/477008205.db2.gz FXIWSDIBOZEZNE-ZACQAIPSSA-N 1 3 349.479 2.985 20 5 EFBDHO CC[NH+](CC)CCOCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447590461 477018612 /nfs/dbraw/zinc/01/86/12/477018612.db2.gz CSBVAMJJKIKQFO-SFHVURJKSA-N 1 3 335.448 2.920 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420331973 477702178 /nfs/dbraw/zinc/70/21/78/477702178.db2.gz MZJOVRKHXMMHOU-XWIAVFTESA-N 1 3 333.432 2.792 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420397579 477746950 /nfs/dbraw/zinc/74/69/50/477746950.db2.gz XOADOEGWRCZYQI-XUWXXGDYSA-N 1 3 333.432 2.874 20 5 EFBDHO CC(C)CN1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000516965428 478025158 /nfs/dbraw/zinc/02/51/58/478025158.db2.gz USNWJUIRUKNTAF-UHFFFAOYSA-N 1 3 348.447 2.633 20 5 EFBDHO CN1CC[C@@]2(C1)CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595506655 478826224 /nfs/dbraw/zinc/82/62/24/478826224.db2.gz FNMWHLXBXQAYRM-GOSISDBHSA-N 1 3 333.432 2.781 20 5 EFBDHO CN1CC[C@@]2(C1)CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595506655 478826229 /nfs/dbraw/zinc/82/62/29/478826229.db2.gz FNMWHLXBXQAYRM-GOSISDBHSA-N 1 3 333.432 2.781 20 5 EFBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000573020627 478975403 /nfs/dbraw/zinc/97/54/03/478975403.db2.gz QQDZSARMIHXEBQ-KBXCAEBGSA-N 1 3 345.443 2.673 20 5 EFBDHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593315942 479289676 /nfs/dbraw/zinc/28/96/76/479289676.db2.gz MQTUESYXOCPDKU-LZLYRXPVSA-N 1 3 333.432 2.622 20 5 EFBDHO [NH3+]Cc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000593324537 479296743 /nfs/dbraw/zinc/29/67/43/479296743.db2.gz WUFKGNKTCQFVSU-JKSUJKDBSA-N 1 3 347.394 2.663 20 5 EFBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000602763145 479535947 /nfs/dbraw/zinc/53/59/47/479535947.db2.gz NDRDZSQVCYUDCD-UHFFFAOYSA-N 1 3 349.479 2.688 20 5 EFBDHO Cc1ncc([N+](=O)[O-])n1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000602801288 479564042 /nfs/dbraw/zinc/56/40/42/479564042.db2.gz OQDLORRTIIPKJE-UHFFFAOYSA-N 1 3 349.479 2.688 20 5 EFBDHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072858167 520246152 /nfs/dbraw/zinc/24/61/52/520246152.db2.gz GETTUCCGTSECRO-HNNXBMFYSA-N 1 3 348.447 2.505 20 5 EFBDHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072858167 520246156 /nfs/dbraw/zinc/24/61/56/520246156.db2.gz GETTUCCGTSECRO-HNNXBMFYSA-N 1 3 348.447 2.505 20 5 EFBDHO Cc1c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000150974858 525915366 /nfs/dbraw/zinc/91/53/66/525915366.db2.gz FAHBGZIWQJDEIT-HNNXBMFYSA-N 1 3 334.464 2.580 20 5 EFBDHO COc1ccc(C[NH2+][C@@H](C)CN)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414943048 536895775 /nfs/dbraw/zinc/89/57/75/536895775.db2.gz LBVMEYJXIXCTJW-ZDUSSCGKSA-N 1 3 345.399 2.619 20 5 EFBDHO [NH3+]C1(Cc2ccc(F)cc2)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998467 1272574888 /nfs/dbraw/zinc/57/48/88/1272574888.db2.gz NJHKKWFULMIQRF-DOTOQJQBSA-N 1 3 335.423 2.607 20 5 EFBDHO [NH3+]C1(Cc2cccc(F)c2)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997551 1272575301 /nfs/dbraw/zinc/57/53/01/1272575301.db2.gz DEFGDHJFPKIPNW-RDJZCZTQSA-N 1 3 335.423 2.607 20 5 EFBDHO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001169038950 1272605054 /nfs/dbraw/zinc/60/50/54/1272605054.db2.gz LTTRNYRBXRUYQD-JXFKEZNVSA-N 1 3 343.471 2.955 20 5 EFBDHO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001169038950 1272605071 /nfs/dbraw/zinc/60/50/71/1272605071.db2.gz LTTRNYRBXRUYQD-JXFKEZNVSA-N 1 3 343.471 2.955 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(CCC[NH3+])C(C)C)c1F ZINC001173179871 1286454744 /nfs/dbraw/zinc/45/47/44/1286454744.db2.gz QTUIAPQPCZEJQK-GFCCVEGCSA-N 1 3 327.400 2.733 20 5 EFBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000873081118 1289557671 /nfs/dbraw/zinc/55/76/71/1289557671.db2.gz YLZYWALYNQVRRP-RTBURBONSA-N 1 3 347.459 2.679 20 5 EFBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000873081115 1289558718 /nfs/dbraw/zinc/55/87/18/1289558718.db2.gz YLZYWALYNQVRRP-MOPGFXCFSA-N 1 3 347.459 2.679 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2C[NH2+]C[C@@H](C)C2)c1F ZINC001246095334 1314582623 /nfs/dbraw/zinc/58/26/23/1314582623.db2.gz BHHZOBXGSFEXFE-AVGNSLFASA-N 1 3 339.411 2.509 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2CC[C@H](C)[NH2+]C2)c1F ZINC001246102801 1314583497 /nfs/dbraw/zinc/58/34/97/1314583497.db2.gz XDLVWSFDXIAPGR-RWMBFGLXSA-N 1 3 339.411 2.651 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2CCC[NH2+][C@H]2C)c1F ZINC001246105130 1314583703 /nfs/dbraw/zinc/58/37/03/1314583703.db2.gz ARNCLFWLTKQLPV-RWMBFGLXSA-N 1 3 339.411 2.651 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246625834 1314659761 /nfs/dbraw/zinc/65/97/61/1314659761.db2.gz FPPXDMLVBNCPMG-HKUYNNGSSA-N 1 3 329.444 2.918 20 5 EFBDHO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247004743 1314729280 /nfs/dbraw/zinc/72/92/80/1314729280.db2.gz NZCAXCOEROYXCM-NVXWUHKLSA-N 1 3 329.444 2.569 20 5 EFBDHO COc1c([O-])ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000894731932 722830402 /nfs/dbraw/zinc/83/04/02/722830402.db2.gz XEEMZOUXWJETJU-UHFFFAOYSA-N 1 3 325.409 2.519 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843383 221195622 /nfs/dbraw/zinc/19/56/22/221195622.db2.gz WXHBCKDZASUDFZ-OAHLLOKOSA-N 1 3 348.447 2.505 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843383 221195624 /nfs/dbraw/zinc/19/56/24/221195624.db2.gz WXHBCKDZASUDFZ-OAHLLOKOSA-N 1 3 348.447 2.505 20 5 EFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000344870792 142090344 /nfs/dbraw/zinc/09/03/44/142090344.db2.gz XYYHISQTUABXGR-NXIIHZOPSA-N 1 3 347.459 2.681 20 5 EFBDHO Cc1c([C@H](C)NCCN2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000160216852 225363426 /nfs/dbraw/zinc/36/34/26/225363426.db2.gz CYIXJTNQWGNHTB-HNNXBMFYSA-N 1 3 334.464 2.580 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000271746954 273107993 /nfs/dbraw/zinc/10/79/93/273107993.db2.gz XTPJCHLTQGTICK-OAHLLOKOSA-N 1 3 334.464 2.614 20 5 EFBDHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192942331 276357823 /nfs/dbraw/zinc/35/78/23/276357823.db2.gz OMEICZTZLBGARN-AEFFLSMTSA-N 1 3 335.448 2.919 20 5 EFBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447580404 289309037 /nfs/dbraw/zinc/30/90/37/289309037.db2.gz OKUMXJDZKJFPFA-ZJIFWQFVSA-N 1 3 335.452 2.737 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414832933 312055797 /nfs/dbraw/zinc/05/57/97/312055797.db2.gz FHCJIPBYEHZSKD-GUYCJALGSA-N 1 3 348.447 2.809 20 5 EFBDHO [NH3+][C@H]1CCC[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415002184 312075326 /nfs/dbraw/zinc/07/53/26/312075326.db2.gz VXBKHHBGULSFAT-PWSUYJOCSA-N 1 3 329.347 2.803 20 5 EFBDHO [NH3+][C@@H]1CCC[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415002186 312075360 /nfs/dbraw/zinc/07/53/60/312075360.db2.gz VXBKHHBGULSFAT-ZYHUDNBSSA-N 1 3 329.347 2.803 20 5 EFBDHO [NH3+][C@@H]1CCO[C@H](C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415125578 312098592 /nfs/dbraw/zinc/09/85/92/312098592.db2.gz OKIJOHCKOONOLM-GVKBTVHKSA-N 1 3 345.443 2.826 20 5 EFBDHO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000150969630 473389797 /nfs/dbraw/zinc/38/97/97/473389797.db2.gz WTLOBBVCVHWCPK-OAHLLOKOSA-N 1 3 334.464 2.580 20 5 EFBDHO N[C@@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000424336398 477375079 /nfs/dbraw/zinc/37/50/79/477375079.db2.gz QLRHPLADWZDFCN-HUUCEWRRSA-N 1 3 330.388 2.652 20 5 EFBDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155650108 472588491 /nfs/dbraw/zinc/58/84/91/472588491.db2.gz HUJZAMPXLQMWIS-HZPDHXFCSA-N 1 3 334.464 2.580 20 5 EFBDHO CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155668833 472591693 /nfs/dbraw/zinc/59/16/93/472591693.db2.gz VIKFPIXMPRQGOI-YJBOKZPZSA-N 1 3 334.464 2.662 20 5 EFBDHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192651081 473700378 /nfs/dbraw/zinc/70/03/78/473700378.db2.gz JVEHWOYOEUMITE-LJQANCHMSA-N 1 3 346.475 2.588 20 5 EFBDHO CC(C)C[NH+]1CCC(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331991398 475478463 /nfs/dbraw/zinc/47/84/63/475478463.db2.gz ZJSWWGHIXWZLSY-DLBZAZTESA-N 1 3 349.479 2.985 20 5 EFBDHO CCOCCC[N@@H+]1CC[C@H](NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000358364300 475620704 /nfs/dbraw/zinc/62/07/04/475620704.db2.gz IEULWTNMOFURAV-LPHOPBHVSA-N 1 3 349.475 2.864 20 5 EFBDHO CCOCCC[N@H+]1CC[C@H](NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000358364300 475620710 /nfs/dbraw/zinc/62/07/10/475620710.db2.gz IEULWTNMOFURAV-LPHOPBHVSA-N 1 3 349.475 2.864 20 5 EFBDHO C[NH+](C)CCOCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354193413 476492840 /nfs/dbraw/zinc/49/28/40/476492840.db2.gz ZKGYEJASAOXNDU-UHFFFAOYSA-N 1 3 333.388 2.523 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422632641 476724891 /nfs/dbraw/zinc/72/48/91/476724891.db2.gz HCSRRBKHEMRZEX-ILXRZTDVSA-N 1 3 348.447 2.537 20 5 EFBDHO O=[N+]([O-])c1ccc(CCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422919455 476847573 /nfs/dbraw/zinc/84/75/73/476847573.db2.gz KBOUPVWJUKAFCB-GBESFXJTSA-N 1 3 347.459 2.664 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CCCCC1 ZINC000423174348 476953890 /nfs/dbraw/zinc/95/38/90/476953890.db2.gz ALWYZFQEGULFOE-ZDUSSCGKSA-N 1 3 334.420 2.563 20 5 EFBDHO CC[NH+](CC)CCOCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447590460 477017926 /nfs/dbraw/zinc/01/79/26/477017926.db2.gz CSBVAMJJKIKQFO-GOSISDBHSA-N 1 3 335.448 2.920 20 5 EFBDHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CN1CCCC1 ZINC000447591911 477020199 /nfs/dbraw/zinc/02/01/99/477020199.db2.gz GCDAUNURHOWSSP-HZPDHXFCSA-N 1 3 349.479 2.987 20 5 EFBDHO CC(C)(CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447591911 477020202 /nfs/dbraw/zinc/02/02/02/477020202.db2.gz GCDAUNURHOWSSP-HZPDHXFCSA-N 1 3 349.479 2.987 20 5 EFBDHO COc1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000424376287 477383142 /nfs/dbraw/zinc/38/31/42/477383142.db2.gz KWIDFOPIDCVXHU-CYBMUJFWSA-N 1 3 349.431 2.576 20 5 EFBDHO COc1ccc([C@@H](C[NH3+])CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000420378007 477733251 /nfs/dbraw/zinc/73/32/51/477733251.db2.gz UAOVQBOEURPGHJ-KRWDZBQOSA-N 1 3 343.427 2.820 20 5 EFBDHO COc1ccc([C@@H](CN)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000420378007 477733257 /nfs/dbraw/zinc/73/32/57/477733257.db2.gz UAOVQBOEURPGHJ-KRWDZBQOSA-N 1 3 343.427 2.820 20 5 EFBDHO COc1ccc([C@@H](CN)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000420378007 477733261 /nfs/dbraw/zinc/73/32/61/477733261.db2.gz UAOVQBOEURPGHJ-KRWDZBQOSA-N 1 3 343.427 2.820 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282689 478509284 /nfs/dbraw/zinc/50/92/84/478509284.db2.gz QEWLDJURWXBRBD-UKRRQHHQSA-N 1 3 346.431 2.576 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591282689 478509291 /nfs/dbraw/zinc/50/92/91/478509291.db2.gz QEWLDJURWXBRBD-UKRRQHHQSA-N 1 3 346.431 2.576 20 5 EFBDHO O=[N+]([O-])c1ccc(OCCN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595900603 479060055 /nfs/dbraw/zinc/06/00/55/479060055.db2.gz HWXYDPJDRWZXMC-MRXNPFEDSA-N 1 3 333.432 2.685 20 5 EFBDHO O=[N+]([O-])c1cccc(OCCN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000595901474 479060141 /nfs/dbraw/zinc/06/01/41/479060141.db2.gz WOOKTCDYCMXTKS-INIZCTEOSA-N 1 3 333.432 2.685 20 5 EFBDHO Cc1c([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000602022067 479143665 /nfs/dbraw/zinc/14/36/65/479143665.db2.gz SWPMNHAWRDXORY-CQSZACIVSA-N 1 3 341.415 2.881 20 5 EFBDHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593315940 479290404 /nfs/dbraw/zinc/29/04/04/479290404.db2.gz MQTUESYXOCPDKU-JZXOWHBKSA-N 1 3 333.432 2.622 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000593735704 479439300 /nfs/dbraw/zinc/43/93/00/479439300.db2.gz ZBMWPIJSWJZRON-SUMWQHHRSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000593735704 479439303 /nfs/dbraw/zinc/43/93/03/479439303.db2.gz ZBMWPIJSWJZRON-SUMWQHHRSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593735704 479439308 /nfs/dbraw/zinc/43/93/08/479439308.db2.gz ZBMWPIJSWJZRON-SUMWQHHRSA-N 1 3 348.447 2.681 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736218 479439479 /nfs/dbraw/zinc/43/94/79/479439479.db2.gz JRZPYWFBEDSURK-FSZRXZPDSA-N 1 3 333.432 2.874 20 5 EFBDHO CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435626040 535705792 /nfs/dbraw/zinc/70/57/92/535705792.db2.gz JRHJMJVAFXZQJY-OAHLLOKOSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCNCC1 ZINC000435626040 535705798 /nfs/dbraw/zinc/70/57/98/535705798.db2.gz JRHJMJVAFXZQJY-OAHLLOKOSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCNCC1 ZINC000435626040 535705803 /nfs/dbraw/zinc/70/58/03/535705803.db2.gz JRHJMJVAFXZQJY-OAHLLOKOSA-N 1 3 348.447 2.696 20 5 EFBDHO CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435613503 535706318 /nfs/dbraw/zinc/70/63/18/535706318.db2.gz AYRWEBJWASNQRH-HNNXBMFYSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCNCC1 ZINC000435613503 535706322 /nfs/dbraw/zinc/70/63/22/535706322.db2.gz AYRWEBJWASNQRH-HNNXBMFYSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCNCC1 ZINC000435613503 535706331 /nfs/dbraw/zinc/70/63/31/535706331.db2.gz AYRWEBJWASNQRH-HNNXBMFYSA-N 1 3 348.447 2.696 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765040641 576539569 /nfs/dbraw/zinc/53/95/69/576539569.db2.gz XDJBDPMDUKZKPW-LPHOPBHVSA-N 1 3 344.459 2.780 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765040641 576539570 /nfs/dbraw/zinc/53/95/70/576539570.db2.gz XDJBDPMDUKZKPW-LPHOPBHVSA-N 1 3 344.459 2.780 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000765040641 576539573 /nfs/dbraw/zinc/53/95/73/576539573.db2.gz XDJBDPMDUKZKPW-LPHOPBHVSA-N 1 3 344.459 2.780 20 5 EFBDHO COc1ccc(C[C@@H](C)N[C@H]2CC[N@H+](CC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319652 1279013403 /nfs/dbraw/zinc/01/34/03/1279013403.db2.gz XXVBOSLASOVXSB-PBHICJAKSA-N 1 3 347.459 2.998 20 5 EFBDHO COc1ccc(C[C@@H](C)N[C@H]2CC[N@@H+](CC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319652 1279013414 /nfs/dbraw/zinc/01/34/14/1279013414.db2.gz XXVBOSLASOVXSB-PBHICJAKSA-N 1 3 347.459 2.998 20 5 EFBDHO COc1ccc(C[C@@H](C)[N@H+](C)CCCN2CCCC2)c([N+](=O)[O-])c1 ZINC001170344397 1279048697 /nfs/dbraw/zinc/04/86/97/1279048697.db2.gz BQCKDBIJURBZSL-OAHLLOKOSA-N 1 3 335.448 2.952 20 5 EFBDHO COc1ccc(C[C@@H](C)[N@@H+](C)CCCN2CCCC2)c([N+](=O)[O-])c1 ZINC001170344397 1279048709 /nfs/dbraw/zinc/04/87/09/1279048709.db2.gz BQCKDBIJURBZSL-OAHLLOKOSA-N 1 3 335.448 2.952 20 5 EFBDHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000808781480 1281897524 /nfs/dbraw/zinc/89/75/24/1281897524.db2.gz IHKJWABCMUVMRG-UHFFFAOYSA-N 1 3 342.871 2.564 20 5 EFBDHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000808781480 1281897528 /nfs/dbraw/zinc/89/75/28/1281897528.db2.gz IHKJWABCMUVMRG-UHFFFAOYSA-N 1 3 342.871 2.564 20 5 EFBDHO Cc1c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873054930 1289543030 /nfs/dbraw/zinc/54/30/30/1289543030.db2.gz AULCUFQCEFZMJQ-HUUCEWRRSA-N 1 3 335.448 2.882 20 5 EFBDHO O=[N+]([O-])c1cc2c(cc1NCC1CN(Cc3ccccc3)C1)C[NH2+]C2 ZINC001165454523 1312632892 /nfs/dbraw/zinc/63/28/92/1312632892.db2.gz OUYKXXWGEVYZAL-UHFFFAOYSA-N 1 3 338.411 2.742 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](C1CCC1)C1CNC1)CC2 ZINC001246519574 1314641621 /nfs/dbraw/zinc/64/16/21/1314641621.db2.gz SHLIKFMRCMOOJT-MJGOQNOKSA-N 1 3 329.444 2.820 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246625837 1314659666 /nfs/dbraw/zinc/65/96/66/1314659666.db2.gz FPPXDMLVBNCPMG-IEBWSBKVSA-N 1 3 329.444 2.918 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247017142 1314731624 /nfs/dbraw/zinc/73/16/24/1314731624.db2.gz ZWEUVOGIUOTLTP-YQVWRLOYSA-N 1 3 329.444 2.916 20 5 EFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001254544354 1315721732 /nfs/dbraw/zinc/72/17/32/1315721732.db2.gz JEBJYYKAQJEMRP-KBAYOESNSA-N 1 3 347.459 2.759 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001254577590 1315726576 /nfs/dbraw/zinc/72/65/76/1315726576.db2.gz FPHCPXCPVKEQPV-PBASOCQRSA-N 1 3 349.434 2.782 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](N[C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001254577590 1315726578 /nfs/dbraw/zinc/72/65/78/1315726578.db2.gz FPHCPXCPVKEQPV-PBASOCQRSA-N 1 3 349.434 2.782 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@]1(C[NH3+])CCCC[C@H]1C ZINC001579642338 1090648713 /nfs/dbraw/zinc/64/87/13/1090648713.db2.gz AMJCRKMGVBFIIL-RDTXWAMCSA-N 1 3 348.447 2.729 20 5 EFBDHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154283659 529596864 /nfs/dbraw/zinc/59/68/64/529596864.db2.gz BTCLXLFOTKFKJQ-SFHVURJKSA-N 1 3 334.464 2.663 20 5 EFBDHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072759276 216303700 /nfs/dbraw/zinc/30/37/00/216303700.db2.gz BBIGANQKSWLQML-OAHLLOKOSA-N 1 3 348.447 2.730 20 5 EFBDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072759276 216303702 /nfs/dbraw/zinc/30/37/02/216303702.db2.gz BBIGANQKSWLQML-OAHLLOKOSA-N 1 3 348.447 2.730 20 5 EFBDHO Cn1cc(CN2CCC[C@H](CC[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000442902423 250140268 /nfs/dbraw/zinc/14/02/68/250140268.db2.gz SJBYUMARDYWVPW-CQSZACIVSA-N 1 3 343.431 2.556 20 5 EFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000344797229 142080021 /nfs/dbraw/zinc/08/00/21/142080021.db2.gz WEFCMINQLAJZCE-DTQAZKPQSA-N 1 3 346.475 2.614 20 5 EFBDHO C[NH+]1CCC2(CCCN(CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374179493 151297681 /nfs/dbraw/zinc/29/76/81/151297681.db2.gz UAOKKAJSBNWRCE-UHFFFAOYSA-N 1 3 333.432 2.781 20 5 EFBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000271746953 273108035 /nfs/dbraw/zinc/10/80/35/273108035.db2.gz XTPJCHLTQGTICK-HNNXBMFYSA-N 1 3 334.464 2.614 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(N)CCCCC1 ZINC000414835617 312056197 /nfs/dbraw/zinc/05/61/97/312056197.db2.gz DNEMDVIEGXDLCW-CYBMUJFWSA-N 1 3 334.420 2.563 20 5 EFBDHO COc1ccc(C[NH2+][C@H](C)CN)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414927424 312064420 /nfs/dbraw/zinc/06/44/20/312064420.db2.gz LBVMEYJXIXCTJW-CYBMUJFWSA-N 1 3 345.399 2.619 20 5 EFBDHO Cc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415123063 312097962 /nfs/dbraw/zinc/09/79/62/312097962.db2.gz KSOZZKCDSUVXEV-AEFFLSMTSA-N 1 3 333.432 2.622 20 5 EFBDHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415125579 312098415 /nfs/dbraw/zinc/09/84/15/312098415.db2.gz OKIJOHCKOONOLM-MGDPNLISSA-N 1 3 345.443 2.826 20 5 EFBDHO CN1CCN(CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000569305389 319366950 /nfs/dbraw/zinc/36/69/50/319366950.db2.gz HILYENFTQZHXSZ-IBGZPJMESA-N 1 3 346.475 2.589 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000577024213 320069900 /nfs/dbraw/zinc/06/99/00/320069900.db2.gz ZUIVPUOJBBYJQD-OAHLLOKOSA-N 1 3 334.464 2.580 20 5 EFBDHO C[C@@H](CCNCCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000578065160 320170139 /nfs/dbraw/zinc/17/01/39/320170139.db2.gz LZZRHFHVVJCKSS-HNNXBMFYSA-N 1 3 348.447 2.778 20 5 EFBDHO C[C@@H](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000578065160 320170141 /nfs/dbraw/zinc/17/01/41/320170141.db2.gz LZZRHFHVVJCKSS-HNNXBMFYSA-N 1 3 348.447 2.778 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160216251 473098182 /nfs/dbraw/zinc/09/81/82/473098182.db2.gz JPMNJQIBWHYTJX-HNNXBMFYSA-N 1 3 334.464 2.580 20 5 EFBDHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192651099 473700007 /nfs/dbraw/zinc/70/00/07/473700007.db2.gz JVEHWOYOEUMITE-IBGZPJMESA-N 1 3 346.475 2.588 20 5 EFBDHO C[NH+](C)CCCC1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271038783 474379476 /nfs/dbraw/zinc/37/94/76/474379476.db2.gz MMEVDDLSTNACLX-GOSISDBHSA-N 1 3 335.448 2.682 20 5 EFBDHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000283475847 474412955 /nfs/dbraw/zinc/41/29/55/474412955.db2.gz ZVRJJNNJZYBPRO-UHFFFAOYSA-N 1 3 348.447 2.728 20 5 EFBDHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337259606 474836012 /nfs/dbraw/zinc/83/60/12/474836012.db2.gz WINNQSNDAGZPMY-UHFFFAOYSA-N 1 3 348.447 2.730 20 5 EFBDHO CN(CCCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285370382 474993313 /nfs/dbraw/zinc/99/33/13/474993313.db2.gz CCJZJFDDTDDFFH-SJPCQFCGSA-N 1 3 333.432 2.921 20 5 EFBDHO CN(CCCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285370382 474993318 /nfs/dbraw/zinc/99/33/18/474993318.db2.gz CCJZJFDDTDDFFH-SJPCQFCGSA-N 1 3 333.432 2.921 20 5 EFBDHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000358364301 475620908 /nfs/dbraw/zinc/62/09/08/475620908.db2.gz IEULWTNMOFURAV-QFBILLFUSA-N 1 3 349.475 2.864 20 5 EFBDHO CCOCCC[N@H+]1CC[C@@H](NCCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000358364301 475620914 /nfs/dbraw/zinc/62/09/14/475620914.db2.gz IEULWTNMOFURAV-QFBILLFUSA-N 1 3 349.475 2.864 20 5 EFBDHO Cc1c(NC(=O)CCN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000422640281 476728248 /nfs/dbraw/zinc/72/82/48/476728248.db2.gz VJASVBAULHKGKC-YDHLFZDLSA-N 1 3 348.447 2.537 20 5 EFBDHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422942445 476856534 /nfs/dbraw/zinc/85/65/34/476856534.db2.gz KFKBFIOHBIDSNL-ZIAGYGMSSA-N 1 3 349.431 2.567 20 5 EFBDHO Cc1c(NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430586337 476871044 /nfs/dbraw/zinc/87/10/44/476871044.db2.gz VZODTGLPOIBRTC-CQSZACIVSA-N 1 3 336.436 2.537 20 5 EFBDHO CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC[NH2+]CC1 ZINC000431106389 476979454 /nfs/dbraw/zinc/97/94/54/476979454.db2.gz MOEHQSFTFHGRBL-UHFFFAOYSA-N 1 3 348.447 2.696 20 5 EFBDHO COc1cc([N+](=O)[O-])ccc1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000366900251 477247803 /nfs/dbraw/zinc/24/78/03/477247803.db2.gz FWRYMCVIYNPWSM-UHFFFAOYSA-N 1 3 333.432 2.911 20 5 EFBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424288698 477357603 /nfs/dbraw/zinc/35/76/03/477357603.db2.gz LCMBUAHSPRRFBJ-CQSZACIVSA-N 1 3 333.432 2.958 20 5 EFBDHO COc1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000424376289 477382724 /nfs/dbraw/zinc/38/27/24/477382724.db2.gz KWIDFOPIDCVXHU-ZDUSSCGKSA-N 1 3 349.431 2.576 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449077151 477424873 /nfs/dbraw/zinc/42/48/73/477424873.db2.gz JIMFRCWASQKKRY-QGZVFWFLSA-N 1 3 348.491 2.533 20 5 EFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449159558 477463053 /nfs/dbraw/zinc/46/30/53/477463053.db2.gz HHJMAGLFXXHZAQ-JKSUJKDBSA-N 1 3 347.459 2.616 20 5 EFBDHO Cc1c(NC(=O)CCN[C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000420372240 477731114 /nfs/dbraw/zinc/73/11/14/477731114.db2.gz QDFPLFVTGHUUIU-INIZCTEOSA-N 1 3 348.447 2.729 20 5 EFBDHO Cc1c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000420377051 477733562 /nfs/dbraw/zinc/73/35/62/477733562.db2.gz KNKKHNJPYLYAGJ-SJLPKXTDSA-N 1 3 333.432 2.622 20 5 EFBDHO Cc1c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000420395938 477745934 /nfs/dbraw/zinc/74/59/34/477745934.db2.gz UVZWDAXHNCVFJS-FUHWJXTLSA-N 1 3 333.432 2.622 20 5 EFBDHO C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000420406784 477751979 /nfs/dbraw/zinc/75/19/79/477751979.db2.gz OABOVRRSVCXSBF-HIFRSBDPSA-N 1 3 344.415 2.709 20 5 EFBDHO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492619 478914479 /nfs/dbraw/zinc/91/44/79/478914479.db2.gz BWSAPWHULHNEOI-HZPDHXFCSA-N 1 3 333.432 2.685 20 5 EFBDHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000602021171 479142460 /nfs/dbraw/zinc/14/24/60/479142460.db2.gz ODVSLRFRSPMRSH-ZDUSSCGKSA-N 1 3 327.388 2.573 20 5 EFBDHO Cc1c([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000602022066 479143602 /nfs/dbraw/zinc/14/36/02/479143602.db2.gz SWPMNHAWRDXORY-AWEZNQCLSA-N 1 3 341.415 2.881 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000599072190 479149463 /nfs/dbraw/zinc/14/94/63/479149463.db2.gz ZWWSWFPWBQCUSJ-CABCVRRESA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599072190 479149469 /nfs/dbraw/zinc/14/94/69/479149469.db2.gz ZWWSWFPWBQCUSJ-CABCVRRESA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599072190 479149478 /nfs/dbraw/zinc/14/94/78/479149478.db2.gz ZWWSWFPWBQCUSJ-CABCVRRESA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CN1CCCCC1 ZINC000618565408 479493715 /nfs/dbraw/zinc/49/37/15/479493715.db2.gz XPSUZHHWYZCZCO-ZACQAIPSSA-N 1 3 349.479 2.987 20 5 EFBDHO CC1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]CC1 ZINC000414911540 535152270 /nfs/dbraw/zinc/15/22/70/535152270.db2.gz ULGMIMMJZCDZSL-UHFFFAOYSA-N 1 3 329.347 2.676 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765040640 576539464 /nfs/dbraw/zinc/53/94/64/576539464.db2.gz XDJBDPMDUKZKPW-APWZRJJASA-N 1 3 344.459 2.780 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765040640 576539468 /nfs/dbraw/zinc/53/94/68/576539468.db2.gz XDJBDPMDUKZKPW-APWZRJJASA-N 1 3 344.459 2.780 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000765040640 576539472 /nfs/dbraw/zinc/53/94/72/576539472.db2.gz XDJBDPMDUKZKPW-APWZRJJASA-N 1 3 344.459 2.780 20 5 EFBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923510261 1261813526 /nfs/dbraw/zinc/81/35/26/1261813526.db2.gz YEIVPBGEMMYBAE-KXBFYZLASA-N 1 3 347.459 2.730 20 5 EFBDHO [NH3+]C1(Cc2ccc(F)cc2)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998470 1272575657 /nfs/dbraw/zinc/57/56/57/1272575657.db2.gz NJHKKWFULMIQRF-WBVHZDCISA-N 1 3 335.423 2.607 20 5 EFBDHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317684 1279011682 /nfs/dbraw/zinc/01/16/82/1279011682.db2.gz JJAVVRSBFTYHGX-BPUTZDHNSA-N 1 3 335.448 2.997 20 5 EFBDHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000809735311 1282414687 /nfs/dbraw/zinc/41/46/87/1282414687.db2.gz AOBNJZIEWFOSIB-INIZCTEOSA-N 1 3 346.475 2.884 20 5 EFBDHO Cc1c(CNC2CC[NH+](C3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000873031756 1289530085 /nfs/dbraw/zinc/53/00/85/1289530085.db2.gz YSEFJZWLHQUAKW-UHFFFAOYSA-N 1 3 346.475 2.551 20 5 EFBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000873081116 1289557791 /nfs/dbraw/zinc/55/77/91/1289557791.db2.gz YLZYWALYNQVRRP-OALUTQOASA-N 1 3 347.459 2.679 20 5 EFBDHO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000876720294 1290990914 /nfs/dbraw/zinc/99/09/14/1290990914.db2.gz DLZWETHVNJPMIX-UHFFFAOYSA-N 1 3 335.448 2.754 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000866589406 1303699286 /nfs/dbraw/zinc/69/92/86/1303699286.db2.gz CTJSFZNYGITGSO-MRXNPFEDSA-N 1 3 346.475 2.676 20 5 EFBDHO COc1ccc(C[C@H](C)NC[C@@]2(C)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246103902 1314583722 /nfs/dbraw/zinc/58/37/22/1314583722.db2.gz UASVYQZZNWQSKN-KSSFIOAISA-N 1 3 335.448 2.904 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2CCC[NH2+][C@H]2C)c1F ZINC001246105128 1314583914 /nfs/dbraw/zinc/58/39/14/1314583914.db2.gz ARNCLFWLTKQLPV-AVGNSLFASA-N 1 3 339.411 2.651 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2C[NH2+]CC[C@@H]2C)c1F ZINC001246122606 1314585853 /nfs/dbraw/zinc/58/58/53/1314585853.db2.gz XTHMUTHNXDQCEK-RWMBFGLXSA-N 1 3 339.411 2.509 20 5 EFBDHO CCC1([NH3+])CCN([C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001577230327 1089761998 /nfs/dbraw/zinc/76/19/98/1089761998.db2.gz GPFKOTPBELDKIA-ZDUSSCGKSA-N 1 3 334.420 2.515 20 5 EFBDHO C[C@H](NCc1c(Br)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001579485625 1090620935 /nfs/dbraw/zinc/62/09/35/1090620935.db2.gz BNWQGBKSTCIJEL-JTQLQIEISA-N 1 3 342.237 2.835 20 5 EFBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784479 244349158 /nfs/dbraw/zinc/34/91/58/244349158.db2.gz RIJLTOGWOABSCR-HUUCEWRRSA-N 1 3 333.432 2.815 20 5 EFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441349934 250021783 /nfs/dbraw/zinc/02/17/83/250021783.db2.gz GZFVDDFOCKMGDN-FOWTUZBSSA-N 1 3 346.475 2.614 20 5 EFBDHO Cn1cc(CN2CCC[C@@H](CC[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000442902421 250139150 /nfs/dbraw/zinc/13/91/50/250139150.db2.gz SJBYUMARDYWVPW-AWEZNQCLSA-N 1 3 343.431 2.556 20 5 EFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000344797232 142079883 /nfs/dbraw/zinc/07/98/83/142079883.db2.gz WEFCMINQLAJZCE-SSZFMOIBSA-N 1 3 346.475 2.614 20 5 EFBDHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344091502 145366038 /nfs/dbraw/zinc/36/60/38/145366038.db2.gz NMZPIYZILKUQMX-WMZOPIPTSA-N 1 3 349.475 2.864 20 5 EFBDHO CCOCCC[N@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344091502 145366040 /nfs/dbraw/zinc/36/60/40/145366040.db2.gz NMZPIYZILKUQMX-WMZOPIPTSA-N 1 3 349.475 2.864 20 5 EFBDHO COc1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC000285487075 274009394 /nfs/dbraw/zinc/00/93/94/274009394.db2.gz LWHXHZFMYZZCNG-YIONKMFJSA-N 1 3 349.431 2.539 20 5 EFBDHO COc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC000285487075 274009396 /nfs/dbraw/zinc/00/93/96/274009396.db2.gz LWHXHZFMYZZCNG-YIONKMFJSA-N 1 3 349.431 2.539 20 5 EFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192942283 276335562 /nfs/dbraw/zinc/33/55/62/276335562.db2.gz OMEICZTZLBGARN-FUHWJXTLSA-N 1 3 335.448 2.919 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294983234 295253969 /nfs/dbraw/zinc/25/39/69/295253969.db2.gz JXXDFDKMCJWNKP-WWTUQBGBSA-N 1 3 346.431 2.527 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294983234 295253970 /nfs/dbraw/zinc/25/39/70/295253970.db2.gz JXXDFDKMCJWNKP-WWTUQBGBSA-N 1 3 346.431 2.527 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414832931 312055809 /nfs/dbraw/zinc/05/58/09/312055809.db2.gz FHCJIPBYEHZSKD-DYVFJYSZSA-N 1 3 348.447 2.809 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414832936 312055847 /nfs/dbraw/zinc/05/58/47/312055847.db2.gz FHCJIPBYEHZSKD-SUMWQHHRSA-N 1 3 348.447 2.809 20 5 EFBDHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415038398 312081347 /nfs/dbraw/zinc/08/13/47/312081347.db2.gz NIUXTEUWELPVHB-WCQYABFASA-N 1 3 332.429 2.935 20 5 EFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCN1CCN(C)CC1 ZINC000527288746 316363433 /nfs/dbraw/zinc/36/34/33/316363433.db2.gz LJACKKIVYQQXEL-VKAVYKQESA-N 1 3 346.475 2.615 20 5 EFBDHO CC1(C)CC(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000548826233 318147591 /nfs/dbraw/zinc/14/75/91/318147591.db2.gz HNURBWORNFEOLG-UHFFFAOYSA-N 1 3 348.447 2.822 20 5 EFBDHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000552099506 318242503 /nfs/dbraw/zinc/24/25/03/318242503.db2.gz LDMUZVHFTQRHEF-PBHICJAKSA-N 1 3 348.447 2.776 20 5 EFBDHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000552099506 318242505 /nfs/dbraw/zinc/24/25/05/318242505.db2.gz LDMUZVHFTQRHEF-PBHICJAKSA-N 1 3 348.447 2.776 20 5 EFBDHO O=[N+]([O-])c1ccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000565533751 318979888 /nfs/dbraw/zinc/97/98/88/318979888.db2.gz JMYWZAPJGUNTBN-KZNAEPCWSA-N 1 3 333.432 2.874 20 5 EFBDHO C[C@H](CCNCCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000578065161 320170198 /nfs/dbraw/zinc/17/01/98/320170198.db2.gz LZZRHFHVVJCKSS-OAHLLOKOSA-N 1 3 348.447 2.778 20 5 EFBDHO C[C@H](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000578065161 320170201 /nfs/dbraw/zinc/17/02/01/320170201.db2.gz LZZRHFHVVJCKSS-OAHLLOKOSA-N 1 3 348.447 2.778 20 5 EFBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000578668644 320228401 /nfs/dbraw/zinc/22/84/01/320228401.db2.gz JUXYMKAQAUKAAI-UHOSZYNNSA-N 1 3 345.443 2.550 20 5 EFBDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155632767 472584811 /nfs/dbraw/zinc/58/48/11/472584811.db2.gz AFTKQVLWXCRGPQ-JKSUJKDBSA-N 1 3 334.464 2.580 20 5 EFBDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000155650814 472588611 /nfs/dbraw/zinc/58/86/11/472588611.db2.gz QKNOTUWWZQGYRE-ZBFHGGJFSA-N 1 3 334.464 2.580 20 5 EFBDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000158928799 472979869 /nfs/dbraw/zinc/97/98/69/472979869.db2.gz RRAJGKCFRLNSLH-MRXNPFEDSA-N 1 3 349.479 2.768 20 5 EFBDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000158928799 472979875 /nfs/dbraw/zinc/97/98/75/472979875.db2.gz RRAJGKCFRLNSLH-MRXNPFEDSA-N 1 3 349.479 2.768 20 5 EFBDHO CN(C)C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000114479122 473472661 /nfs/dbraw/zinc/47/26/61/473472661.db2.gz JUYGNKBOGIBPHI-AWEZNQCLSA-N 1 3 344.415 2.676 20 5 EFBDHO CN(C)C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000114479122 473472664 /nfs/dbraw/zinc/47/26/64/473472664.db2.gz JUYGNKBOGIBPHI-AWEZNQCLSA-N 1 3 344.415 2.676 20 5 EFBDHO C[N@@H+]1CCC[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247983857 474239218 /nfs/dbraw/zinc/23/92/18/474239218.db2.gz IQIABLLSYBDPSM-MAUKXSAKSA-N 1 3 333.432 2.780 20 5 EFBDHO C[N@H+]1CCC[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247983857 474239229 /nfs/dbraw/zinc/23/92/29/474239229.db2.gz IQIABLLSYBDPSM-MAUKXSAKSA-N 1 3 333.432 2.780 20 5 EFBDHO CN1CCC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247983857 474239234 /nfs/dbraw/zinc/23/92/34/474239234.db2.gz IQIABLLSYBDPSM-MAUKXSAKSA-N 1 3 333.432 2.780 20 5 EFBDHO CN1CCC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247983857 474239239 /nfs/dbraw/zinc/23/92/39/474239239.db2.gz IQIABLLSYBDPSM-MAUKXSAKSA-N 1 3 333.432 2.780 20 5 EFBDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000337058044 474669883 /nfs/dbraw/zinc/66/98/83/474669883.db2.gz VYGWMDYWVHSOSJ-LSDHHAIUSA-N 1 3 348.447 2.728 20 5 EFBDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000337058044 474669889 /nfs/dbraw/zinc/66/98/89/474669889.db2.gz VYGWMDYWVHSOSJ-LSDHHAIUSA-N 1 3 348.447 2.728 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000281375246 475191076 /nfs/dbraw/zinc/19/10/76/475191076.db2.gz OSUDYPUCBFNXPO-UHFFFAOYSA-N 1 3 348.447 2.650 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000281375246 475191082 /nfs/dbraw/zinc/19/10/82/475191082.db2.gz OSUDYPUCBFNXPO-UHFFFAOYSA-N 1 3 348.447 2.650 20 5 EFBDHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000350162101 476075309 /nfs/dbraw/zinc/07/53/09/476075309.db2.gz ZANRHTOOXGRGNC-GOSISDBHSA-N 1 3 335.448 2.570 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000430567377 476862823 /nfs/dbraw/zinc/86/28/23/476862823.db2.gz FKXAWDTXCQEDAK-OAHLLOKOSA-N 1 3 336.436 2.537 20 5 EFBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000431035554 476965838 /nfs/dbraw/zinc/96/58/38/476965838.db2.gz SUEYAFGNUSVYSC-UHFFFAOYSA-N 1 3 333.432 2.958 20 5 EFBDHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CN1CCCC1 ZINC000447591907 477020082 /nfs/dbraw/zinc/02/00/82/477020082.db2.gz GCDAUNURHOWSSP-CVEARBPZSA-N 1 3 349.479 2.987 20 5 EFBDHO CC(C)(CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447591907 477020085 /nfs/dbraw/zinc/02/00/85/477020085.db2.gz GCDAUNURHOWSSP-CVEARBPZSA-N 1 3 349.479 2.987 20 5 EFBDHO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420322345 477691981 /nfs/dbraw/zinc/69/19/81/477691981.db2.gz DTRMNOYCEOWZSD-OLZOCXBDSA-N 1 3 330.388 2.558 20 5 EFBDHO CC(C)[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418472 477866112 /nfs/dbraw/zinc/86/61/12/477866112.db2.gz HDCUNLKTKNOEDL-CABCVRRESA-N 1 3 348.447 2.632 20 5 EFBDHO CC(C)[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418472 477866117 /nfs/dbraw/zinc/86/61/17/477866117.db2.gz HDCUNLKTKNOEDL-CABCVRRESA-N 1 3 348.447 2.632 20 5 EFBDHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418472 477866122 /nfs/dbraw/zinc/86/61/22/477866122.db2.gz HDCUNLKTKNOEDL-CABCVRRESA-N 1 3 348.447 2.632 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000540161639 478465175 /nfs/dbraw/zinc/46/51/75/478465175.db2.gz YBLVMJZTHVURQS-GDIGMMSISA-N 1 3 347.459 2.932 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000540161641 478465640 /nfs/dbraw/zinc/46/56/40/478465640.db2.gz YBLVMJZTHVURQS-KYNGSXCRSA-N 1 3 347.459 2.932 20 5 EFBDHO O=[N+]([O-])c1ccccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000594969892 478611409 /nfs/dbraw/zinc/61/14/09/478611409.db2.gz SFMGLUPYPPWZLR-UHFFFAOYSA-N 1 3 340.427 2.992 20 5 EFBDHO Cn1cc(CN2CCC(CC[NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000572005969 478728161 /nfs/dbraw/zinc/72/81/61/478728161.db2.gz VMOXHGSKCOWYEH-UHFFFAOYSA-N 1 3 343.431 2.556 20 5 EFBDHO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492620 478913710 /nfs/dbraw/zinc/91/37/10/478913710.db2.gz BWSAPWHULHNEOI-JKSUJKDBSA-N 1 3 333.432 2.685 20 5 EFBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492571 478914321 /nfs/dbraw/zinc/91/43/21/478914321.db2.gz AVDHZQCHPPGFNA-CABCVRRESA-N 1 3 333.432 2.815 20 5 EFBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314700 479290053 /nfs/dbraw/zinc/29/00/53/479290053.db2.gz FYNMSUIBBRAYKV-SLOQJRHKSA-N 1 3 345.443 2.826 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000593735701 479439186 /nfs/dbraw/zinc/43/91/86/479439186.db2.gz ZBMWPIJSWJZRON-CXAGYDPISA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000593735701 479439188 /nfs/dbraw/zinc/43/91/88/479439188.db2.gz ZBMWPIJSWJZRON-CXAGYDPISA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593735701 479439193 /nfs/dbraw/zinc/43/91/93/479439193.db2.gz ZBMWPIJSWJZRON-CXAGYDPISA-N 1 3 348.447 2.681 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736217 479439503 /nfs/dbraw/zinc/43/95/03/479439503.db2.gz JRZPYWFBEDSURK-BASYENTBSA-N 1 3 333.432 2.874 20 5 EFBDHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000154262745 521681977 /nfs/dbraw/zinc/68/19/77/521681977.db2.gz DYKZMNOAPHBTQL-INIZCTEOSA-N 1 3 334.464 2.581 20 5 EFBDHO Cc1c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000150974805 525892030 /nfs/dbraw/zinc/89/20/30/525892030.db2.gz FAHBGZIWQJDEIT-OAHLLOKOSA-N 1 3 334.464 2.580 20 5 EFBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC001168968167 1272561096 /nfs/dbraw/zinc/56/10/96/1272561096.db2.gz XEQHIDMICOIQKQ-OUUBHVDSSA-N 1 3 343.471 2.932 20 5 EFBDHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317686 1279011200 /nfs/dbraw/zinc/01/12/00/1279011200.db2.gz JJAVVRSBFTYHGX-IMJJTQAJSA-N 1 3 335.448 2.997 20 5 EFBDHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317687 1279012185 /nfs/dbraw/zinc/01/21/85/1279012185.db2.gz JJAVVRSBFTYHGX-NUEKZKHPSA-N 1 3 335.448 2.997 20 5 EFBDHO CC[N@H+](CCCN(C)C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193069 1286458782 /nfs/dbraw/zinc/45/87/82/1286458782.db2.gz PBZDWIBDXAPIKO-ZDUSSCGKSA-N 1 3 341.427 2.947 20 5 EFBDHO CC[N@@H+](CCCN(C)C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193069 1286458786 /nfs/dbraw/zinc/45/87/86/1286458786.db2.gz PBZDWIBDXAPIKO-ZDUSSCGKSA-N 1 3 341.427 2.947 20 5 EFBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001173221985 1286474801 /nfs/dbraw/zinc/47/48/01/1286474801.db2.gz ROIIJBGHQOTTPY-MAUKXSAKSA-N 1 3 347.459 2.616 20 5 EFBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001173221985 1286474805 /nfs/dbraw/zinc/47/48/05/1286474805.db2.gz ROIIJBGHQOTTPY-MAUKXSAKSA-N 1 3 347.459 2.616 20 5 EFBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001173226685 1286481726 /nfs/dbraw/zinc/48/17/26/1286481726.db2.gz YQZULHOUPXWYDF-KBAYOESNSA-N 1 3 347.459 2.759 20 5 EFBDHO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001173226701 1286482153 /nfs/dbraw/zinc/48/21/53/1286482153.db2.gz YQZULHOUPXWYDF-SZMVWBNQSA-N 1 3 347.459 2.759 20 5 EFBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000873114743 1289574139 /nfs/dbraw/zinc/57/41/39/1289574139.db2.gz SJXLUDCLUXKZTD-HNNXBMFYSA-N 1 3 335.448 2.802 20 5 EFBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000873114744 1289574860 /nfs/dbraw/zinc/57/48/60/1289574860.db2.gz SJXLUDCLUXKZTD-OAHLLOKOSA-N 1 3 335.448 2.802 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(N)CCCC2)c1F ZINC001246074426 1314580594 /nfs/dbraw/zinc/58/05/94/1314580594.db2.gz DFSMVOPGKPDQMI-LLVKDONJSA-N 1 3 325.384 2.535 20 5 EFBDHO COc1ccc(C[C@H](C)NC[C@]2(C)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246103894 1314583176 /nfs/dbraw/zinc/58/31/76/1314583176.db2.gz UASVYQZZNWQSKN-KBXCAEBGSA-N 1 3 335.448 2.904 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2CCC[NH2+][C@@H]2C)c1F ZINC001246105136 1314583713 /nfs/dbraw/zinc/58/37/13/1314583713.db2.gz ARNCLFWLTKQLPV-YNEHKIRRSA-N 1 3 339.411 2.651 20 5 EFBDHO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247004735 1314729270 /nfs/dbraw/zinc/72/92/70/1314729270.db2.gz NZCAXCOEROYXCM-DOTOQJQBSA-N 1 3 329.444 2.569 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N3CC[C@@H]4[NH2+]CCC[C@@H]4C3)CC2)cc1 ZINC001247016413 1314731254 /nfs/dbraw/zinc/73/12/54/1314731254.db2.gz UXTBZYXKSXKIHP-BEFAXECRSA-N 1 3 344.459 2.638 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247017141 1314731403 /nfs/dbraw/zinc/73/14/03/1314731403.db2.gz ZWEUVOGIUOTLTP-SCTDSRPQSA-N 1 3 329.444 2.916 20 5 EFBDHO NC1(C(=O)Nc2cc3oc4cc(=[NH2+])ccc-4nc3c3ccccc23)CC1 ZINC001219369807 1315306055 /nfs/dbraw/zinc/30/60/55/1315306055.db2.gz QBEAIISHFPURQN-UHFFFAOYSA-N 1 3 344.374 2.995 20 5 EFBDHO COc1c([O-])ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001579136728 1090522683 /nfs/dbraw/zinc/52/26/83/1090522683.db2.gz QBBBNLJPZOGRHC-CQSZACIVSA-N 1 3 349.431 2.521 20 5 EFBDHO COc1c([O-])ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001579136728 1090522686 /nfs/dbraw/zinc/52/26/86/1090522686.db2.gz QBBBNLJPZOGRHC-CQSZACIVSA-N 1 3 349.431 2.521 20 5 EFBDHO C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001579414513 1090609298 /nfs/dbraw/zinc/60/92/98/1090609298.db2.gz BNWQGBKSTCIJEL-SNVBAGLBSA-N 1 3 342.237 2.835 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@]1(C[NH3+])CCCC[C@@H]1C ZINC001579642337 1090649012 /nfs/dbraw/zinc/64/90/12/1090649012.db2.gz AMJCRKMGVBFIIL-KSSFIOAISA-N 1 3 348.447 2.729 20 5 EFBDHO O=[N+]([O-])c1ccc(CCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173957527 231080668 /nfs/dbraw/zinc/08/06/68/231080668.db2.gz CNHCVLRCMXEECH-UHFFFAOYSA-N 1 3 347.459 2.714 20 5 EFBDHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192670595 240056835 /nfs/dbraw/zinc/05/68/35/240056835.db2.gz NWEUXLGLMKSUBY-BEFAXECRSA-N 1 3 346.475 2.588 20 5 EFBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414855965 244371508 /nfs/dbraw/zinc/37/15/08/244371508.db2.gz XTGKBKYJXIXMAY-NSHDSACASA-N 1 3 329.347 2.676 20 5 EFBDHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160247593 206286484 /nfs/dbraw/zinc/28/64/84/206286484.db2.gz DIXNONUKARKYDT-SFHVURJKSA-N 1 3 334.464 2.662 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277385586 267169465 /nfs/dbraw/zinc/16/94/65/267169465.db2.gz YNNOOLPXVCDBIA-OAHLLOKOSA-N 1 3 348.447 2.648 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277385586 267169466 /nfs/dbraw/zinc/16/94/66/267169466.db2.gz YNNOOLPXVCDBIA-OAHLLOKOSA-N 1 3 348.447 2.648 20 5 EFBDHO CC1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518595 276196931 /nfs/dbraw/zinc/19/69/31/276196931.db2.gz OCBILSNGIVTKRB-IRXDYDNUSA-N 1 3 349.479 2.987 20 5 EFBDHO CC1CC[NH+](CCCN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518595 276196933 /nfs/dbraw/zinc/19/69/33/276196933.db2.gz OCBILSNGIVTKRB-IRXDYDNUSA-N 1 3 349.479 2.987 20 5 EFBDHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000290444114 294088730 /nfs/dbraw/zinc/08/87/30/294088730.db2.gz LZNFPZDGQPPRTK-INIZCTEOSA-N 1 3 333.432 2.767 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294983231 295253834 /nfs/dbraw/zinc/25/38/34/295253834.db2.gz JXXDFDKMCJWNKP-OHRKKDJYSA-N 1 3 346.431 2.527 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294983231 295253835 /nfs/dbraw/zinc/25/38/35/295253835.db2.gz JXXDFDKMCJWNKP-OHRKKDJYSA-N 1 3 346.431 2.527 20 5 EFBDHO Cc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415123064 312098143 /nfs/dbraw/zinc/09/81/43/312098143.db2.gz KSOZZKCDSUVXEV-FUHWJXTLSA-N 1 3 333.432 2.622 20 5 EFBDHO CN1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000124713357 473291126 /nfs/dbraw/zinc/29/11/26/473291126.db2.gz DOBBJTULBKGNOW-OAHLLOKOSA-N 1 3 333.432 2.922 20 5 EFBDHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154283764 472410757 /nfs/dbraw/zinc/41/07/57/472410757.db2.gz BTCLXLFOTKFKJQ-GOSISDBHSA-N 1 3 334.464 2.663 20 5 EFBDHO Cc1c(CN2CCC(OCC[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000173949441 473963041 /nfs/dbraw/zinc/96/30/41/473963041.db2.gz GQXUBNLSBHNTSM-UHFFFAOYSA-N 1 3 347.459 2.980 20 5 EFBDHO CN1CCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000282287094 474009545 /nfs/dbraw/zinc/00/95/45/474009545.db2.gz LKWRPMDYSMNCJV-GOSISDBHSA-N 1 3 346.475 2.588 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000182943759 474292495 /nfs/dbraw/zinc/29/24/95/474292495.db2.gz ISXWYTNTIHPUCV-MRXNPFEDSA-N 1 3 348.491 2.922 20 5 EFBDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000337058040 474670853 /nfs/dbraw/zinc/67/08/53/474670853.db2.gz VYGWMDYWVHSOSJ-CABCVRRESA-N 1 3 348.447 2.728 20 5 EFBDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000337058040 474670862 /nfs/dbraw/zinc/67/08/62/474670862.db2.gz VYGWMDYWVHSOSJ-CABCVRRESA-N 1 3 348.447 2.728 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360038644 476286032 /nfs/dbraw/zinc/28/60/32/476286032.db2.gz ICTWJTSLXBMIKD-FVQBIDKESA-N 1 3 346.431 2.528 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360038644 476286036 /nfs/dbraw/zinc/28/60/36/476286036.db2.gz ICTWJTSLXBMIKD-FVQBIDKESA-N 1 3 346.431 2.528 20 5 EFBDHO Cc1c(NC(=O)CCN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000422640279 476728191 /nfs/dbraw/zinc/72/81/91/476728191.db2.gz VJASVBAULHKGKC-IPYPFGDCSA-N 1 3 348.447 2.537 20 5 EFBDHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422942442 476857561 /nfs/dbraw/zinc/85/75/61/476857561.db2.gz KFKBFIOHBIDSNL-KBPBESRZSA-N 1 3 349.431 2.567 20 5 EFBDHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430600977 476878341 /nfs/dbraw/zinc/87/83/41/476878341.db2.gz SPASXTYZIDVVAA-UKRRQHHQSA-N 1 3 344.415 2.852 20 5 EFBDHO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420322346 477692977 /nfs/dbraw/zinc/69/29/77/477692977.db2.gz DTRMNOYCEOWZSD-QWHCGFSZSA-N 1 3 330.388 2.558 20 5 EFBDHO Cc1c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000420377048 477732589 /nfs/dbraw/zinc/73/25/89/477732589.db2.gz KNKKHNJPYLYAGJ-FUHWJXTLSA-N 1 3 333.432 2.622 20 5 EFBDHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418473 477865639 /nfs/dbraw/zinc/86/56/39/477865639.db2.gz HDCUNLKTKNOEDL-GJZGRUSLSA-N 1 3 348.447 2.632 20 5 EFBDHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418473 477865645 /nfs/dbraw/zinc/86/56/45/477865645.db2.gz HDCUNLKTKNOEDL-GJZGRUSLSA-N 1 3 348.447 2.632 20 5 EFBDHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418473 477865649 /nfs/dbraw/zinc/86/56/49/477865649.db2.gz HDCUNLKTKNOEDL-GJZGRUSLSA-N 1 3 348.447 2.632 20 5 EFBDHO CC(C)[N@@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000562988286 478404216 /nfs/dbraw/zinc/40/42/16/478404216.db2.gz XLRUHKLADOHOLR-OAHLLOKOSA-N 1 3 348.447 2.633 20 5 EFBDHO CC(C)[N@H+]1CCC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000562988286 478404224 /nfs/dbraw/zinc/40/42/24/478404224.db2.gz XLRUHKLADOHOLR-OAHLLOKOSA-N 1 3 348.447 2.633 20 5 EFBDHO CC(C)N1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000562988286 478404232 /nfs/dbraw/zinc/40/42/32/478404232.db2.gz XLRUHKLADOHOLR-OAHLLOKOSA-N 1 3 348.447 2.633 20 5 EFBDHO CN1CC[C@]2(C1)CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595506656 478825949 /nfs/dbraw/zinc/82/59/49/478825949.db2.gz FNMWHLXBXQAYRM-SFHVURJKSA-N 1 3 333.432 2.781 20 5 EFBDHO CN1CC[C@]2(C1)CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595506656 478825951 /nfs/dbraw/zinc/82/59/51/478825951.db2.gz FNMWHLXBXQAYRM-SFHVURJKSA-N 1 3 333.432 2.781 20 5 EFBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492572 478913746 /nfs/dbraw/zinc/91/37/46/478913746.db2.gz AVDHZQCHPPGFNA-GJZGRUSLSA-N 1 3 333.432 2.815 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(C[NH3+])cc1 ZINC000584113100 479018534 /nfs/dbraw/zinc/01/85/34/479018534.db2.gz AAIBGYDQLQMIQV-ZDUSSCGKSA-N 1 3 342.399 2.560 20 5 EFBDHO CC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000602021167 479141061 /nfs/dbraw/zinc/14/10/61/479141061.db2.gz NSIWPEYADAXPMF-KRWDZBQOSA-N 1 3 341.415 2.963 20 5 EFBDHO Cc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593315944 479289867 /nfs/dbraw/zinc/28/98/67/479289867.db2.gz MQTUESYXOCPDKU-XYJFISCASA-N 1 3 333.432 2.622 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000593735702 479439783 /nfs/dbraw/zinc/43/97/83/479439783.db2.gz ZBMWPIJSWJZRON-DYVFJYSZSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000593735702 479439790 /nfs/dbraw/zinc/43/97/90/479439790.db2.gz ZBMWPIJSWJZRON-DYVFJYSZSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593735702 479439795 /nfs/dbraw/zinc/43/97/95/479439795.db2.gz ZBMWPIJSWJZRON-DYVFJYSZSA-N 1 3 348.447 2.681 20 5 EFBDHO O=[N+]([O-])c1cccc(OCCN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602845352 479589873 /nfs/dbraw/zinc/58/98/73/479589873.db2.gz IDMYDNJZIQHOSF-UHFFFAOYSA-N 1 3 342.399 2.581 20 5 EFBDHO CCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000602916520 479628716 /nfs/dbraw/zinc/62/87/16/479628716.db2.gz GTTWDWNXHZVBLI-UHFFFAOYSA-N 1 3 345.447 2.683 20 5 EFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCN(C)CC1 ZINC000615721233 479743580 /nfs/dbraw/zinc/74/35/80/479743580.db2.gz FUHCGLMXSCMPKB-VKAVYKQESA-N 1 3 346.475 2.615 20 5 EFBDHO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435613635 535706178 /nfs/dbraw/zinc/70/61/78/535706178.db2.gz BRVYDHLKLKOVRO-OAHLLOKOSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCNCC1 ZINC000435613635 535706184 /nfs/dbraw/zinc/70/61/84/535706184.db2.gz BRVYDHLKLKOVRO-OAHLLOKOSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCNCC1 ZINC000435613635 535706188 /nfs/dbraw/zinc/70/61/88/535706188.db2.gz BRVYDHLKLKOVRO-OAHLLOKOSA-N 1 3 348.447 2.696 20 5 EFBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC001168968168 1272560805 /nfs/dbraw/zinc/56/08/05/1272560805.db2.gz XEQHIDMICOIQKQ-SWBPCFCJSA-N 1 3 343.471 2.932 20 5 EFBDHO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001169038951 1272606019 /nfs/dbraw/zinc/60/60/19/1272606019.db2.gz LTTRNYRBXRUYQD-OXJNMPFZSA-N 1 3 343.471 2.955 20 5 EFBDHO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001169038951 1272606030 /nfs/dbraw/zinc/60/60/30/1272606030.db2.gz LTTRNYRBXRUYQD-OXJNMPFZSA-N 1 3 343.471 2.955 20 5 EFBDHO CN1CC2(C1)CC[NH+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172922161 1286329653 /nfs/dbraw/zinc/32/96/53/1286329653.db2.gz WNKVKWFRLQNSNE-KRWDZBQOSA-N 1 3 329.444 2.870 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(C)(C)C[NH+](C)C)c1F ZINC001173190010 1286457622 /nfs/dbraw/zinc/45/76/22/1286457622.db2.gz TXJPRKVOTUFHSV-LBPRGKRZSA-N 1 3 341.427 2.851 20 5 EFBDHO Cc1c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873054928 1289542503 /nfs/dbraw/zinc/54/25/03/1289542503.db2.gz AULCUFQCEFZMJQ-GASCZTMLSA-N 1 3 335.448 2.882 20 5 EFBDHO COc1ccc(C[C@H](C)NC[C@@H]([NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001246301531 1314607800 /nfs/dbraw/zinc/60/78/00/1314607800.db2.gz ZCDADLUTMBTUDR-YOEHRIQHSA-N 1 3 343.427 2.694 20 5 EFBDHO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247004745 1314729352 /nfs/dbraw/zinc/72/93/52/1314729352.db2.gz NZCAXCOEROYXCM-RDJZCZTQSA-N 1 3 329.444 2.569 20 5 EFBDHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158645304 530059057 /nfs/dbraw/zinc/05/90/57/530059057.db2.gz IQIABLLSYBDPSM-QAPCUYQASA-N 1 3 333.432 2.780 20 5 EFBDHO C[N@H+]1CCC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158645304 530059058 /nfs/dbraw/zinc/05/90/58/530059058.db2.gz IQIABLLSYBDPSM-QAPCUYQASA-N 1 3 333.432 2.780 20 5 EFBDHO CN1CCC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158645304 530059059 /nfs/dbraw/zinc/05/90/59/530059059.db2.gz IQIABLLSYBDPSM-QAPCUYQASA-N 1 3 333.432 2.780 20 5 EFBDHO CN1CCC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158645304 530059060 /nfs/dbraw/zinc/05/90/60/530059060.db2.gz IQIABLLSYBDPSM-QAPCUYQASA-N 1 3 333.432 2.780 20 5 EFBDHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000191609260 239209615 /nfs/dbraw/zinc/20/96/15/239209615.db2.gz SHFNOFSSDYOUTB-QGZVFWFLSA-N 1 3 348.491 2.970 20 5 EFBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414855964 244372803 /nfs/dbraw/zinc/37/28/03/244372803.db2.gz XTGKBKYJXIXMAY-LLVKDONJSA-N 1 3 329.347 2.676 20 5 EFBDHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cccc([N+](=O)[O-])c1C ZINC000344148531 145379669 /nfs/dbraw/zinc/37/96/69/145379669.db2.gz RPDSGUWHXOYFCB-UHFFFAOYSA-N 1 3 348.491 2.753 20 5 EFBDHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cccc([N+](=O)[O-])c1C ZINC000344148531 145379671 /nfs/dbraw/zinc/37/96/71/145379671.db2.gz RPDSGUWHXOYFCB-UHFFFAOYSA-N 1 3 348.491 2.753 20 5 EFBDHO Cc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000160205189 225360014 /nfs/dbraw/zinc/36/00/14/225360014.db2.gz KCZFUDUJLOGBQP-OAHLLOKOSA-N 1 3 334.464 2.580 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277077939 273146128 /nfs/dbraw/zinc/14/61/28/273146128.db2.gz FCPWEVNAVBJPTN-OAHLLOKOSA-N 1 3 348.447 2.648 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277077939 273146129 /nfs/dbraw/zinc/14/61/29/273146129.db2.gz FCPWEVNAVBJPTN-OAHLLOKOSA-N 1 3 348.447 2.648 20 5 EFBDHO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297833556 310933571 /nfs/dbraw/zinc/93/35/71/310933571.db2.gz ZXKGJYDUGVRXLT-UHFFFAOYSA-N 1 3 326.400 2.791 20 5 EFBDHO [NH3+][C@H]1CCC[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415002182 312075332 /nfs/dbraw/zinc/07/53/32/312075332.db2.gz VXBKHHBGULSFAT-JQWIXIFHSA-N 1 3 329.347 2.803 20 5 EFBDHO Cc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415123065 312097834 /nfs/dbraw/zinc/09/78/34/312097834.db2.gz KSOZZKCDSUVXEV-SJLPKXTDSA-N 1 3 333.432 2.622 20 5 EFBDHO Cc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415123066 312097837 /nfs/dbraw/zinc/09/78/37/312097837.db2.gz KSOZZKCDSUVXEV-WMZOPIPTSA-N 1 3 333.432 2.622 20 5 EFBDHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000415140544 312101884 /nfs/dbraw/zinc/10/18/84/312101884.db2.gz KRHBXTPBUDGYSC-UHFFFAOYSA-N 1 3 347.440 2.609 20 5 EFBDHO C[NH+](C)C1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000567251122 319154387 /nfs/dbraw/zinc/15/43/87/319154387.db2.gz BAVAVBJBVWUODJ-UHFFFAOYSA-N 1 3 348.447 2.778 20 5 EFBDHO Cc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154376304 472425137 /nfs/dbraw/zinc/42/51/37/472425137.db2.gz WGOYTTZNPOSCSW-MRXNPFEDSA-N 1 3 334.464 2.581 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCC([NH+](C)C)CC1 ZINC000160216118 473097762 /nfs/dbraw/zinc/09/77/62/473097762.db2.gz JPMNJQIBWHYTJX-OAHLLOKOSA-N 1 3 334.464 2.580 20 5 EFBDHO COCC[NH+]1CCC(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192737946 473716820 /nfs/dbraw/zinc/71/68/20/473716820.db2.gz XLVLLPIXEBETEZ-SFHVURJKSA-N 1 3 333.432 2.673 20 5 EFBDHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271500822 474572896 /nfs/dbraw/zinc/57/28/96/474572896.db2.gz MABKIIWFLQPAFO-VHSSKADRSA-N 1 3 333.432 2.623 20 5 EFBDHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271500809 474573354 /nfs/dbraw/zinc/57/33/54/474573354.db2.gz MABKIIWFLQPAFO-DOPJRALCSA-N 1 3 333.432 2.623 20 5 EFBDHO CCOCCC[N@@H+]1CC[C@H](NCCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000358364299 475621901 /nfs/dbraw/zinc/62/19/01/475621901.db2.gz IEULWTNMOFURAV-APWZRJJASA-N 1 3 349.475 2.864 20 5 EFBDHO CCOCCC[N@H+]1CC[C@H](NCCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000358364299 475621906 /nfs/dbraw/zinc/62/19/06/475621906.db2.gz IEULWTNMOFURAV-APWZRJJASA-N 1 3 349.475 2.864 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360038726 476285664 /nfs/dbraw/zinc/28/56/64/476285664.db2.gz ICTWJTSLXBMIKD-VNQPRFMTSA-N 1 3 346.431 2.528 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360038726 476285666 /nfs/dbraw/zinc/28/56/66/476285666.db2.gz ICTWJTSLXBMIKD-VNQPRFMTSA-N 1 3 346.431 2.528 20 5 EFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441349940 476689063 /nfs/dbraw/zinc/68/90/63/476689063.db2.gz GZFVDDFOCKMGDN-VBKFSLOCSA-N 1 3 346.475 2.614 20 5 EFBDHO Cc1c(NC(=O)CCN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000422640278 476727806 /nfs/dbraw/zinc/72/78/06/476727806.db2.gz VJASVBAULHKGKC-GUTXKFCHSA-N 1 3 348.447 2.537 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000423262596 476978331 /nfs/dbraw/zinc/97/83/31/476978331.db2.gz MVCBVYMADURQQF-SUMWQHHRSA-N 1 3 348.447 2.809 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420397573 477747262 /nfs/dbraw/zinc/74/72/62/477747262.db2.gz XOADOEGWRCZYQI-QIIPPGSGSA-N 1 3 333.432 2.874 20 5 EFBDHO C[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000420406786 477752469 /nfs/dbraw/zinc/75/24/69/477752469.db2.gz OABOVRRSVCXSBF-UKRRQHHQSA-N 1 3 344.415 2.709 20 5 EFBDHO O=[N+]([O-])c1ccccc1OCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901605 479059717 /nfs/dbraw/zinc/05/97/17/479059717.db2.gz YTKCCRRCUHOWOT-INIZCTEOSA-N 1 3 333.432 2.685 20 5 EFBDHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599070645 479149265 /nfs/dbraw/zinc/14/92/65/479149265.db2.gz MUOQBDQHHDXZRD-BZUAXINKSA-N 1 3 335.452 2.597 20 5 EFBDHO C[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000584715410 479217123 /nfs/dbraw/zinc/21/71/23/479217123.db2.gz RXWYCLFVCSDASE-HNNXBMFYSA-N 1 3 348.447 2.635 20 5 EFBDHO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CN1CCCCC1 ZINC000584715410 479217127 /nfs/dbraw/zinc/21/71/27/479217127.db2.gz RXWYCLFVCSDASE-HNNXBMFYSA-N 1 3 348.447 2.635 20 5 EFBDHO Cc1c(NC(=O)CCN2CCC[C@@H](C)[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000593730802 479435954 /nfs/dbraw/zinc/43/59/54/479435954.db2.gz GZBUFZHKDCRQPZ-CJNGLKHVSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CCN)cccc1[N+](=O)[O-] ZINC000593730802 479435959 /nfs/dbraw/zinc/43/59/59/479435959.db2.gz GZBUFZHKDCRQPZ-CJNGLKHVSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)cccc1[N+](=O)[O-] ZINC000593730802 479435963 /nfs/dbraw/zinc/43/59/63/479435963.db2.gz GZBUFZHKDCRQPZ-CJNGLKHVSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(NC(=O)CCN2CCC[C@H](C)[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000593730804 479438253 /nfs/dbraw/zinc/43/82/53/479438253.db2.gz GZBUFZHKDCRQPZ-XJKSGUPXSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2CCN)cccc1[N+](=O)[O-] ZINC000593730804 479438263 /nfs/dbraw/zinc/43/82/63/479438263.db2.gz GZBUFZHKDCRQPZ-XJKSGUPXSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@H]2CCN)cccc1[N+](=O)[O-] ZINC000593730804 479438272 /nfs/dbraw/zinc/43/82/72/479438272.db2.gz GZBUFZHKDCRQPZ-XJKSGUPXSA-N 1 3 348.447 2.681 20 5 EFBDHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CN1CCCCC1 ZINC000618565405 479494164 /nfs/dbraw/zinc/49/41/64/479494164.db2.gz XPSUZHHWYZCZCO-BRWVUGGUSA-N 1 3 349.479 2.987 20 5 EFBDHO Cc1c([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000160216728 533942676 /nfs/dbraw/zinc/94/26/76/533942676.db2.gz CYIXJTNQWGNHTB-OAHLLOKOSA-N 1 3 334.464 2.580 20 5 EFBDHO CC[NH+](CC)CCCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000182751264 520589813 /nfs/dbraw/zinc/58/98/13/520589813.db2.gz QDGFMRNTLPEJPX-UHFFFAOYSA-N 1 3 337.468 2.625 20 5 EFBDHO CCN1CCN(CCC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000344818593 535699199 /nfs/dbraw/zinc/69/91/99/535699199.db2.gz FGAAZDGDJUSJAZ-SAPNQHFASA-N 1 3 346.475 2.615 20 5 EFBDHO CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCC[NH2+]CC1 ZINC000435626039 535706009 /nfs/dbraw/zinc/70/60/09/535706009.db2.gz JRHJMJVAFXZQJY-HNNXBMFYSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCNCC1 ZINC000435626039 535706015 /nfs/dbraw/zinc/70/60/15/535706015.db2.gz JRHJMJVAFXZQJY-HNNXBMFYSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCNCC1 ZINC000435626039 535706022 /nfs/dbraw/zinc/70/60/22/535706022.db2.gz JRHJMJVAFXZQJY-HNNXBMFYSA-N 1 3 348.447 2.696 20 5 EFBDHO CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435613504 535706597 /nfs/dbraw/zinc/70/65/97/535706597.db2.gz AYRWEBJWASNQRH-OAHLLOKOSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCNCC1 ZINC000435613504 535706601 /nfs/dbraw/zinc/70/66/01/535706601.db2.gz AYRWEBJWASNQRH-OAHLLOKOSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCNCC1 ZINC000435613504 535706607 /nfs/dbraw/zinc/70/66/07/535706607.db2.gz AYRWEBJWASNQRH-OAHLLOKOSA-N 1 3 348.447 2.696 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCN3CCCC3)CC2)cc1 ZINC000764665943 576487213 /nfs/dbraw/zinc/48/72/13/576487213.db2.gz KCORARRDPAPCBL-UHFFFAOYSA-N 1 3 332.448 2.639 20 5 EFBDHO CCN(CC)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131470715 1258041625 /nfs/dbraw/zinc/04/16/25/1258041625.db2.gz SJFXZNPPGXSRGV-UHFFFAOYSA-N 1 3 334.464 2.885 20 5 EFBDHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172910155 1286352414 /nfs/dbraw/zinc/35/24/14/1286352414.db2.gz WTRCZFIKXHMRJC-FGTMMUONSA-N 1 3 329.444 2.726 20 5 EFBDHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172910155 1286352423 /nfs/dbraw/zinc/35/24/23/1286352423.db2.gz WTRCZFIKXHMRJC-FGTMMUONSA-N 1 3 329.444 2.726 20 5 EFBDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873043028 1289537352 /nfs/dbraw/zinc/53/73/52/1289537352.db2.gz KMZMNPOOVLGNKH-OAHLLOKOSA-N 1 3 348.491 2.575 20 5 EFBDHO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903726445 1313123449 /nfs/dbraw/zinc/12/34/49/1313123449.db2.gz LWIYQQWOAKOFDR-GOSISDBHSA-N 1 3 347.459 2.964 20 5 EFBDHO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163651163 1312355087 /nfs/dbraw/zinc/35/50/87/1312355087.db2.gz ZYXHZRLFIDNVNU-VQTJNVASSA-N 1 3 332.512 2.996 20 5 EFBDHO COc1ccc(C[C@@H](C)NC[C@@H]([NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001246301530 1314607740 /nfs/dbraw/zinc/60/77/40/1314607740.db2.gz ZCDADLUTMBTUDR-PBHICJAKSA-N 1 3 343.427 2.694 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](C1CCC1)C1CNC1)CC2 ZINC001246519572 1314641243 /nfs/dbraw/zinc/64/12/43/1314641243.db2.gz SHLIKFMRCMOOJT-IEBWSBKVSA-N 1 3 329.444 2.820 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N3CC[C@@H]4[NH2+]CCC[C@H]4C3)CC2)cc1 ZINC001247016416 1314731785 /nfs/dbraw/zinc/73/17/85/1314731785.db2.gz UXTBZYXKSXKIHP-KXBFYZLASA-N 1 3 344.459 2.638 20 5 EFBDHO CN1CC2(C1)CC[NH+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254481141 1315708624 /nfs/dbraw/zinc/70/86/24/1315708624.db2.gz UURAAYLRPHXREI-UHFFFAOYSA-N 1 3 344.459 2.591 20 5 EFBDHO COc1c([O-])ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000895472744 724151291 /nfs/dbraw/zinc/15/12/91/724151291.db2.gz KONFVGQMBXQUTR-UHFFFAOYSA-N 1 3 349.431 2.521 20 5 EFBDHO C[C@@H]1CC2(CN1Cc1nc3cc([N+](=O)[O-])ccc3o1)CC[NH2+]CC2 ZINC001576636674 1089372060 /nfs/dbraw/zinc/37/20/60/1089372060.db2.gz FYOXZOSWALWLRS-GFCCVEGCSA-N 1 3 330.388 2.700 20 5 EFBDHO C[C@H]([NH3+])C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435376954 248231904 /nfs/dbraw/zinc/23/19/04/248231904.db2.gz WPTRGRYHLAFCDJ-ZDUSSCGKSA-N 1 3 343.431 2.555 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277077934 273146085 /nfs/dbraw/zinc/14/60/85/273146085.db2.gz FCPWEVNAVBJPTN-HNNXBMFYSA-N 1 3 348.447 2.648 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277077934 273146086 /nfs/dbraw/zinc/14/60/86/273146086.db2.gz FCPWEVNAVBJPTN-HNNXBMFYSA-N 1 3 348.447 2.648 20 5 EFBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447580403 289309801 /nfs/dbraw/zinc/30/98/01/289309801.db2.gz OKUMXJDZKJFPFA-XUWVNRHRSA-N 1 3 335.452 2.737 20 5 EFBDHO Cc1c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000154386369 293423665 /nfs/dbraw/zinc/42/36/65/293423665.db2.gz COBYKROEZDTRAD-INIZCTEOSA-N 1 3 334.464 2.581 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150974612 310677919 /nfs/dbraw/zinc/67/79/19/310677919.db2.gz IYLLEFPXHHLLKK-HNNXBMFYSA-N 1 3 334.464 2.580 20 5 EFBDHO Cc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000331262866 311363375 /nfs/dbraw/zinc/36/33/75/311363375.db2.gz DXQCPHOAPNFNBW-OAHLLOKOSA-N 1 3 334.464 2.580 20 5 EFBDHO [NH3+][C@@H]1CCC[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415002180 312075320 /nfs/dbraw/zinc/07/53/20/312075320.db2.gz VXBKHHBGULSFAT-CMPLNLGQSA-N 1 3 329.347 2.803 20 5 EFBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415009854 312076739 /nfs/dbraw/zinc/07/67/39/312076739.db2.gz OLMFBXNCMZIAQE-UONOGXRCSA-N 1 3 341.358 2.674 20 5 EFBDHO [NH3+][C@@H]1CCO[C@H](C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415125577 312098486 /nfs/dbraw/zinc/09/84/86/312098486.db2.gz OKIJOHCKOONOLM-DUVWHUSGSA-N 1 3 345.443 2.826 20 5 EFBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000415133306 312100643 /nfs/dbraw/zinc/10/06/43/312100643.db2.gz VBABNQVKCDSETC-PMGINUPQSA-N 1 3 345.443 2.826 20 5 EFBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)CNC3)n1 ZINC000423369587 312416660 /nfs/dbraw/zinc/41/66/60/312416660.db2.gz FEXRHICNISKNIA-IAGOWNOFSA-N 1 3 341.415 2.668 20 5 EFBDHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000552100618 318242404 /nfs/dbraw/zinc/24/24/04/318242404.db2.gz OFPDXQLNXHBBHR-PBHICJAKSA-N 1 3 348.447 2.776 20 5 EFBDHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000552100618 318242407 /nfs/dbraw/zinc/24/24/07/318242407.db2.gz OFPDXQLNXHBBHR-PBHICJAKSA-N 1 3 348.447 2.776 20 5 EFBDHO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000568483108 319287639 /nfs/dbraw/zinc/28/76/39/319287639.db2.gz DUXADFGCLWWBBV-UHFFFAOYSA-N 1 3 342.399 2.627 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000577024212 320069977 /nfs/dbraw/zinc/06/99/77/320069977.db2.gz ZUIVPUOJBBYJQD-HNNXBMFYSA-N 1 3 334.464 2.580 20 5 EFBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000578668645 320228626 /nfs/dbraw/zinc/22/86/26/320228626.db2.gz JUXYMKAQAUKAAI-WDSOQIARSA-N 1 3 345.443 2.550 20 5 EFBDHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192665715 473703656 /nfs/dbraw/zinc/70/36/56/473703656.db2.gz RSDXQAQVJWSYMK-IBGZPJMESA-N 1 3 346.475 2.589 20 5 EFBDHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271500814 474572947 /nfs/dbraw/zinc/57/29/47/474572947.db2.gz MABKIIWFLQPAFO-KKXDTOCCSA-N 1 3 333.432 2.623 20 5 EFBDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000337058042 474669984 /nfs/dbraw/zinc/66/99/84/474669984.db2.gz VYGWMDYWVHSOSJ-HUUCEWRRSA-N 1 3 348.447 2.728 20 5 EFBDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000337058042 474669992 /nfs/dbraw/zinc/66/99/92/474669992.db2.gz VYGWMDYWVHSOSJ-HUUCEWRRSA-N 1 3 348.447 2.728 20 5 EFBDHO CC(C)C[NH+]1CCC(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331991418 475478279 /nfs/dbraw/zinc/47/82/79/475478279.db2.gz ZJSWWGHIXWZLSY-SJORKVTESA-N 1 3 349.479 2.985 20 5 EFBDHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422942444 476857607 /nfs/dbraw/zinc/85/76/07/476857607.db2.gz KFKBFIOHBIDSNL-UONOGXRCSA-N 1 3 349.431 2.567 20 5 EFBDHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430600975 476878307 /nfs/dbraw/zinc/87/83/07/476878307.db2.gz SPASXTYZIDVVAA-HIFRSBDPSA-N 1 3 344.415 2.852 20 5 EFBDHO C[C@H]([NH3+])[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430600979 476878736 /nfs/dbraw/zinc/87/87/36/476878736.db2.gz SPASXTYZIDVVAA-ZFWWWQNUSA-N 1 3 344.415 2.852 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N)CCCCC1 ZINC000423174347 476953615 /nfs/dbraw/zinc/95/36/15/476953615.db2.gz ALWYZFQEGULFOE-CYBMUJFWSA-N 1 3 334.420 2.563 20 5 EFBDHO CC(C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CN1CCCC1 ZINC000447591913 477020393 /nfs/dbraw/zinc/02/03/93/477020393.db2.gz GCDAUNURHOWSSP-JKSUJKDBSA-N 1 3 349.479 2.987 20 5 EFBDHO CC(C)(CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447591913 477020398 /nfs/dbraw/zinc/02/03/98/477020398.db2.gz GCDAUNURHOWSSP-JKSUJKDBSA-N 1 3 349.479 2.987 20 5 EFBDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000411303087 477188833 /nfs/dbraw/zinc/18/88/33/477188833.db2.gz GHWXJFJSNHMOGQ-PBHICJAKSA-N 1 3 348.447 2.728 20 5 EFBDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000411303087 477188838 /nfs/dbraw/zinc/18/88/38/477188838.db2.gz GHWXJFJSNHMOGQ-PBHICJAKSA-N 1 3 348.447 2.728 20 5 EFBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424288697 477356493 /nfs/dbraw/zinc/35/64/93/477356493.db2.gz LCMBUAHSPRRFBJ-AWEZNQCLSA-N 1 3 333.432 2.958 20 5 EFBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329383 477698657 /nfs/dbraw/zinc/69/86/57/477698657.db2.gz GOKSACHSHYMDCX-GASCZTMLSA-N 1 3 333.432 2.813 20 5 EFBDHO O=[N+]([O-])c1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000594968744 478612414 /nfs/dbraw/zinc/61/24/14/478612414.db2.gz JREOUPMQCUFZAP-UHFFFAOYSA-N 1 3 340.427 2.992 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595106586 478662431 /nfs/dbraw/zinc/66/24/31/478662431.db2.gz VOXMCGRVZYFKQW-YOEHRIQHSA-N 1 3 333.432 2.807 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595106584 478662567 /nfs/dbraw/zinc/66/25/67/478662567.db2.gz VOXMCGRVZYFKQW-RHSMWYFYSA-N 1 3 333.432 2.807 20 5 EFBDHO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433580 478894045 /nfs/dbraw/zinc/89/40/45/478894045.db2.gz DJQIEAAWQKRBKY-JKSUJKDBSA-N 1 3 333.432 2.815 20 5 EFBDHO O=[N+]([O-])c1ccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000565533752 479029622 /nfs/dbraw/zinc/02/96/22/479029622.db2.gz JMYWZAPJGUNTBN-OKZBNKHCSA-N 1 3 333.432 2.874 20 5 EFBDHO CC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000602021168 479141416 /nfs/dbraw/zinc/14/14/16/479141416.db2.gz NSIWPEYADAXPMF-QGZVFWFLSA-N 1 3 341.415 2.963 20 5 EFBDHO Cc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1[N+](=O)[O-] ZINC000602023456 479143030 /nfs/dbraw/zinc/14/30/30/479143030.db2.gz XKBATQIKTKSLKI-AWEZNQCLSA-N 1 3 341.415 2.881 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000599070140 479147151 /nfs/dbraw/zinc/14/71/51/479147151.db2.gz LJKXGPQNPVAFQX-HUUCEWRRSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599070140 479147159 /nfs/dbraw/zinc/14/71/59/479147159.db2.gz LJKXGPQNPVAFQX-HUUCEWRRSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599070140 479147164 /nfs/dbraw/zinc/14/71/64/479147164.db2.gz LJKXGPQNPVAFQX-HUUCEWRRSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000599070142 479147660 /nfs/dbraw/zinc/14/76/60/479147660.db2.gz LJKXGPQNPVAFQX-LSDHHAIUSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599070142 479147669 /nfs/dbraw/zinc/14/76/69/479147669.db2.gz LJKXGPQNPVAFQX-LSDHHAIUSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599070142 479147674 /nfs/dbraw/zinc/14/76/74/479147674.db2.gz LJKXGPQNPVAFQX-LSDHHAIUSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000599072193 479149116 /nfs/dbraw/zinc/14/91/16/479149116.db2.gz ZWWSWFPWBQCUSJ-GJZGRUSLSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599072193 479149119 /nfs/dbraw/zinc/14/91/19/479149119.db2.gz ZWWSWFPWBQCUSJ-GJZGRUSLSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599072193 479149124 /nfs/dbraw/zinc/14/91/24/479149124.db2.gz ZWWSWFPWBQCUSJ-GJZGRUSLSA-N 1 3 348.447 2.633 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000593735703 479439610 /nfs/dbraw/zinc/43/96/10/479439610.db2.gz ZBMWPIJSWJZRON-GUYCJALGSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000593735703 479439616 /nfs/dbraw/zinc/43/96/16/479439616.db2.gz ZBMWPIJSWJZRON-GUYCJALGSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593735703 479439623 /nfs/dbraw/zinc/43/96/23/479439623.db2.gz ZBMWPIJSWJZRON-GUYCJALGSA-N 1 3 348.447 2.681 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154491379 529143430 /nfs/dbraw/zinc/14/34/30/529143430.db2.gz RHSPBHPFGGTEEK-QGZVFWFLSA-N 1 3 348.491 2.972 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000154481252 529143484 /nfs/dbraw/zinc/14/34/84/529143484.db2.gz GEQMGIZKMKSHEC-KRWDZBQOSA-N 1 3 348.491 2.972 20 5 EFBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000349071789 535595506 /nfs/dbraw/zinc/59/55/06/535595506.db2.gz HSTJYDBKZPCVTG-HNNXBMFYSA-N 1 3 340.493 2.504 20 5 EFBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000349071789 535595509 /nfs/dbraw/zinc/59/55/09/535595509.db2.gz HSTJYDBKZPCVTG-HNNXBMFYSA-N 1 3 340.493 2.504 20 5 EFBDHO [NH3+]C1(Cc2cccc(F)c2)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997550 1272575432 /nfs/dbraw/zinc/57/54/32/1272575432.db2.gz DEFGDHJFPKIPNW-NVXWUHKLSA-N 1 3 335.423 2.607 20 5 EFBDHO [NH3+]C1(Cc2cccc(F)c2)CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997552 1272575674 /nfs/dbraw/zinc/57/56/74/1272575674.db2.gz DEFGDHJFPKIPNW-WBVHZDCISA-N 1 3 335.423 2.607 20 5 EFBDHO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001169038953 1272605370 /nfs/dbraw/zinc/60/53/70/1272605370.db2.gz LTTRNYRBXRUYQD-UZLBHIALSA-N 1 3 343.471 2.955 20 5 EFBDHO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001169038953 1272605375 /nfs/dbraw/zinc/60/53/75/1272605375.db2.gz LTTRNYRBXRUYQD-UZLBHIALSA-N 1 3 343.471 2.955 20 5 EFBDHO COCCC1([NH3+])CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905328 1286308715 /nfs/dbraw/zinc/30/87/15/1286308715.db2.gz IZKUZQPLVCMYDX-KRWDZBQOSA-N 1 3 347.459 2.672 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC[C@@H]2CCC[N@@H+]2C)c1F ZINC001173189275 1286458215 /nfs/dbraw/zinc/45/82/15/1286458215.db2.gz NXZBJOAZSRUNCI-STQMWFEESA-N 1 3 339.411 2.747 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC[C@@H]2CCC[N@H+]2C)c1F ZINC001173189275 1286458220 /nfs/dbraw/zinc/45/82/20/1286458220.db2.gz NXZBJOAZSRUNCI-STQMWFEESA-N 1 3 339.411 2.747 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@@H]2CCCN2C)c1F ZINC001173189275 1286458224 /nfs/dbraw/zinc/45/82/24/1286458224.db2.gz NXZBJOAZSRUNCI-STQMWFEESA-N 1 3 339.411 2.747 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2C[NH2+]C[C@@H](C)C2)c1F ZINC001246095337 1314582608 /nfs/dbraw/zinc/58/26/08/1314582608.db2.gz BHHZOBXGSFEXFE-RWMBFGLXSA-N 1 3 339.411 2.509 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2C[NH2+]C[C@H](C)C2)c1F ZINC001246095332 1314582746 /nfs/dbraw/zinc/58/27/46/1314582746.db2.gz BHHZOBXGSFEXFE-AGIUHOORSA-N 1 3 339.411 2.509 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247017143 1314732073 /nfs/dbraw/zinc/73/20/73/1314732073.db2.gz ZWEUVOGIUOTLTP-ZHALLVOQSA-N 1 3 329.444 2.916 20 5 EFBDHO CC(C)(C)[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001335398440 1331342626 /nfs/dbraw/zinc/34/26/26/1331342626.db2.gz PNIYRDCUZNUXRK-AWEZNQCLSA-N 1 3 348.447 2.633 20 5 EFBDHO CC(C)(C)[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001335398440 1331342627 /nfs/dbraw/zinc/34/26/27/1331342627.db2.gz PNIYRDCUZNUXRK-AWEZNQCLSA-N 1 3 348.447 2.633 20 5 EFBDHO O=[N+]([O-])c1cc(Cl)ccc1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000892950815 719322864 /nfs/dbraw/zinc/32/28/64/719322864.db2.gz HACLHJROIRXNDH-OAHLLOKOSA-N 1 3 341.839 2.575 20 5 EFBDHO O=[N+]([O-])c1cc(Cl)ccc1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000892950815 719322866 /nfs/dbraw/zinc/32/28/66/719322866.db2.gz HACLHJROIRXNDH-OAHLLOKOSA-N 1 3 341.839 2.575 20 5 EFBDHO C[C@@H](CNCc1nc2c(s1)C[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC001576033904 1088868285 /nfs/dbraw/zinc/86/82/85/1088868285.db2.gz XRWIYPFOJGUJQV-NSHDSACASA-N 1 3 332.429 2.590 20 5 EFBDHO CCC1([NH3+])CCN([C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001577230326 1089762404 /nfs/dbraw/zinc/76/24/04/1089762404.db2.gz GPFKOTPBELDKIA-CYBMUJFWSA-N 1 3 334.420 2.515 20 5 EFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000344870794 533409345 /nfs/dbraw/zinc/40/93/45/533409345.db2.gz XYYHISQTUABXGR-XLCPLWEUSA-N 1 3 347.459 2.681 20 5 EFBDHO CN(CCCN(C)Cc1ccc(Cl)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000344034359 145351667 /nfs/dbraw/zinc/35/16/67/145351667.db2.gz RDBQMTBPTZMLBH-UHFFFAOYSA-N 1 3 342.871 2.564 20 5 EFBDHO Cc1c([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000271560176 266008613 /nfs/dbraw/zinc/00/86/13/266008613.db2.gz WQJDJEZRXCIXPM-JVPBZIDWSA-N 1 3 347.459 2.932 20 5 EFBDHO Cc1c([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000271560182 266008784 /nfs/dbraw/zinc/00/87/84/266008784.db2.gz WQJDJEZRXCIXPM-ZOCIIQOWSA-N 1 3 347.459 2.932 20 5 EFBDHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CN1CCCC1 ZINC000447547578 289691390 /nfs/dbraw/zinc/69/13/90/289691390.db2.gz CQHVDMWCAKEEHE-OAGGEKHMSA-N 1 3 335.452 2.597 20 5 EFBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC[C@H]2CCC[NH2+]2)c1 ZINC000414977340 312070246 /nfs/dbraw/zinc/07/02/46/312070246.db2.gz RHPZVPFARICGQR-LBPRGKRZSA-N 1 3 329.347 2.818 20 5 EFBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)CNC3)n1 ZINC000423369585 312416633 /nfs/dbraw/zinc/41/66/33/312416633.db2.gz FEXRHICNISKNIA-DLBZAZTESA-N 1 3 341.415 2.668 20 5 EFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCN1CCN(C)CC1 ZINC000527288745 316363551 /nfs/dbraw/zinc/36/35/51/316363551.db2.gz LJACKKIVYQQXEL-SAPNQHFASA-N 1 3 346.475 2.615 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154490786 472438903 /nfs/dbraw/zinc/43/89/03/472438903.db2.gz QZXDDOCYCAAQLM-KRWDZBQOSA-N 1 3 348.491 2.972 20 5 EFBDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155649861 472588686 /nfs/dbraw/zinc/58/86/86/472588686.db2.gz HUJZAMPXLQMWIS-CVEARBPZSA-N 1 3 334.464 2.580 20 5 EFBDHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282167539 473968831 /nfs/dbraw/zinc/96/88/31/473968831.db2.gz DTURXYQSMPCCRO-KRWDZBQOSA-N 1 3 334.464 2.662 20 5 EFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282504348 474090296 /nfs/dbraw/zinc/09/02/96/474090296.db2.gz YKOZFBOYGUYEIC-INIZCTEOSA-N 1 3 348.491 2.532 20 5 EFBDHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247983854 474239748 /nfs/dbraw/zinc/23/97/48/474239748.db2.gz IQIABLLSYBDPSM-CRAIPNDOSA-N 1 3 333.432 2.780 20 5 EFBDHO C[N@H+]1CCC[C@@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247983854 474239757 /nfs/dbraw/zinc/23/97/57/474239757.db2.gz IQIABLLSYBDPSM-CRAIPNDOSA-N 1 3 333.432 2.780 20 5 EFBDHO CN1CCC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247983854 474239761 /nfs/dbraw/zinc/23/97/61/474239761.db2.gz IQIABLLSYBDPSM-CRAIPNDOSA-N 1 3 333.432 2.780 20 5 EFBDHO CN1CCC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247983854 474239766 /nfs/dbraw/zinc/23/97/66/474239766.db2.gz IQIABLLSYBDPSM-CRAIPNDOSA-N 1 3 333.432 2.780 20 5 EFBDHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000237668038 474454391 /nfs/dbraw/zinc/45/43/91/474454391.db2.gz SPGOIXBZRHKBGY-IYBDPMFKSA-N 1 3 335.448 2.882 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341464839 475062579 /nfs/dbraw/zinc/06/25/79/475062579.db2.gz SGSVHLSWZRRPMP-FRFSOERESA-N 1 3 346.431 2.528 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341464839 475062586 /nfs/dbraw/zinc/06/25/86/475062586.db2.gz SGSVHLSWZRRPMP-FRFSOERESA-N 1 3 346.431 2.528 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341464849 475062892 /nfs/dbraw/zinc/06/28/92/475062892.db2.gz SGSVHLSWZRRPMP-KMFMINBZSA-N 1 3 346.431 2.528 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341464849 475062898 /nfs/dbraw/zinc/06/28/98/475062898.db2.gz SGSVHLSWZRRPMP-KMFMINBZSA-N 1 3 346.431 2.528 20 5 EFBDHO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000358517065 475741036 /nfs/dbraw/zinc/74/10/36/475741036.db2.gz OCAGEENAVRZNIY-UHFFFAOYSA-N 1 3 333.432 2.958 20 5 EFBDHO CC[N@H+](CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)CC1CC1 ZINC000357089286 476223483 /nfs/dbraw/zinc/22/34/83/476223483.db2.gz UHWYAQXMUQKHKG-UHFFFAOYSA-N 1 3 349.479 2.625 20 5 EFBDHO CC[N@@H+](CCC1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)CC1CC1 ZINC000357089286 476223494 /nfs/dbraw/zinc/22/34/94/476223494.db2.gz UHWYAQXMUQKHKG-UHFFFAOYSA-N 1 3 349.479 2.625 20 5 EFBDHO C[NH+](C)CCOCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000354189991 476491187 /nfs/dbraw/zinc/49/11/87/476491187.db2.gz JEVDOGWBAOGHKM-UHFFFAOYSA-N 1 3 349.456 2.991 20 5 EFBDHO O=[N+]([O-])c1ccc(CCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422919457 476847224 /nfs/dbraw/zinc/84/72/24/476847224.db2.gz KBOUPVWJUKAFCB-IPMKNSEASA-N 1 3 347.459 2.664 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000430552220 476855079 /nfs/dbraw/zinc/85/50/79/476855079.db2.gz NAXZTLXQNJVLDO-OAHLLOKOSA-N 1 3 336.436 2.537 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000423262593 476978859 /nfs/dbraw/zinc/97/88/59/476978859.db2.gz MVCBVYMADURQQF-CXAGYDPISA-N 1 3 348.447 2.809 20 5 EFBDHO CC1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518596 477001949 /nfs/dbraw/zinc/00/19/49/477001949.db2.gz OCBILSNGIVTKRB-SJORKVTESA-N 1 3 349.479 2.987 20 5 EFBDHO CC1CC[NH+](CCCN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518596 477001952 /nfs/dbraw/zinc/00/19/52/477001952.db2.gz OCBILSNGIVTKRB-SJORKVTESA-N 1 3 349.479 2.987 20 5 EFBDHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541228 477007133 /nfs/dbraw/zinc/00/71/33/477007133.db2.gz FXIWSDIBOZEZNE-IKGGRYGDSA-N 1 3 349.479 2.985 20 5 EFBDHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541231 477008269 /nfs/dbraw/zinc/00/82/69/477008269.db2.gz FXIWSDIBOZEZNE-IXDOHACOSA-N 1 3 349.479 2.985 20 5 EFBDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000411303092 477187617 /nfs/dbraw/zinc/18/76/17/477187617.db2.gz GHWXJFJSNHMOGQ-YOEHRIQHSA-N 1 3 348.447 2.728 20 5 EFBDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000411303092 477187626 /nfs/dbraw/zinc/18/76/26/477187626.db2.gz GHWXJFJSNHMOGQ-YOEHRIQHSA-N 1 3 348.447 2.728 20 5 EFBDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000411303088 477187818 /nfs/dbraw/zinc/18/78/18/477187818.db2.gz GHWXJFJSNHMOGQ-RHSMWYFYSA-N 1 3 348.447 2.728 20 5 EFBDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000411303088 477187822 /nfs/dbraw/zinc/18/78/22/477187822.db2.gz GHWXJFJSNHMOGQ-RHSMWYFYSA-N 1 3 348.447 2.728 20 5 EFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449159555 477463792 /nfs/dbraw/zinc/46/37/92/477463792.db2.gz HHJMAGLFXXHZAQ-CVEARBPZSA-N 1 3 347.459 2.616 20 5 EFBDHO CC(C)[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418474 477865584 /nfs/dbraw/zinc/86/55/84/477865584.db2.gz HDCUNLKTKNOEDL-HUUCEWRRSA-N 1 3 348.447 2.632 20 5 EFBDHO CC(C)[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418474 477865592 /nfs/dbraw/zinc/86/55/92/477865592.db2.gz HDCUNLKTKNOEDL-HUUCEWRRSA-N 1 3 348.447 2.632 20 5 EFBDHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418474 477865598 /nfs/dbraw/zinc/86/55/98/477865598.db2.gz HDCUNLKTKNOEDL-HUUCEWRRSA-N 1 3 348.447 2.632 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595106583 478662817 /nfs/dbraw/zinc/66/28/17/478662817.db2.gz VOXMCGRVZYFKQW-PBHICJAKSA-N 1 3 333.432 2.807 20 5 EFBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000573020629 478974661 /nfs/dbraw/zinc/97/46/61/478974661.db2.gz QQDZSARMIHXEBQ-KSSFIOAISA-N 1 3 345.443 2.673 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccc(C[NH3+])cc1 ZINC000584113099 479018276 /nfs/dbraw/zinc/01/82/76/479018276.db2.gz AAIBGYDQLQMIQV-CYBMUJFWSA-N 1 3 342.399 2.560 20 5 EFBDHO O=[N+]([O-])c1ccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000565533746 479028897 /nfs/dbraw/zinc/02/88/97/479028897.db2.gz JMYWZAPJGUNTBN-FGTMMUONSA-N 1 3 333.432 2.874 20 5 EFBDHO O=[N+]([O-])c1ccccc1OCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901606 479060361 /nfs/dbraw/zinc/06/03/61/479060361.db2.gz YTKCCRRCUHOWOT-MRXNPFEDSA-N 1 3 333.432 2.685 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000599070137 479147809 /nfs/dbraw/zinc/14/78/09/479147809.db2.gz LJKXGPQNPVAFQX-CABCVRRESA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599070137 479147815 /nfs/dbraw/zinc/14/78/15/479147815.db2.gz LJKXGPQNPVAFQX-CABCVRRESA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599070137 479147820 /nfs/dbraw/zinc/14/78/20/479147820.db2.gz LJKXGPQNPVAFQX-CABCVRRESA-N 1 3 348.447 2.633 20 5 EFBDHO C[NH+](C)CCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602523661 479380167 /nfs/dbraw/zinc/38/01/67/479380167.db2.gz DWQCFMREVGFCNK-UHFFFAOYSA-N 1 3 336.255 2.850 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593730841 479437693 /nfs/dbraw/zinc/43/76/93/479437693.db2.gz IFDJJGOTSGQRMA-PBHICJAKSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000593730841 479437697 /nfs/dbraw/zinc/43/76/97/479437697.db2.gz IFDJJGOTSGQRMA-PBHICJAKSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000593730841 479437705 /nfs/dbraw/zinc/43/77/05/479437705.db2.gz IFDJJGOTSGQRMA-PBHICJAKSA-N 1 3 348.447 2.681 20 5 EFBDHO O=[N+]([O-])c1cc2c(cc1CNCCCCC[NH+]1CCCC1)OCCO2 ZINC000590193610 479616686 /nfs/dbraw/zinc/61/66/86/479616686.db2.gz MGRNRKAGXZGASJ-UHFFFAOYSA-N 1 3 349.431 2.722 20 5 EFBDHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154272592 529145007 /nfs/dbraw/zinc/14/50/07/529145007.db2.gz RDOCVBJTPLOYJY-INIZCTEOSA-N 1 3 334.464 2.581 20 5 EFBDHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160247726 529165332 /nfs/dbraw/zinc/16/53/32/529165332.db2.gz DIXNONUKARKYDT-GOSISDBHSA-N 1 3 334.464 2.662 20 5 EFBDHO CC(C)[NH+]1CCC(O)(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761526441 576174904 /nfs/dbraw/zinc/17/49/04/576174904.db2.gz CXFDVSXTFIGGCZ-UHFFFAOYSA-N 1 3 341.839 2.573 20 5 EFBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923510258 1261813425 /nfs/dbraw/zinc/81/34/25/1261813425.db2.gz YEIVPBGEMMYBAE-BEFAXECRSA-N 1 3 347.459 2.730 20 5 EFBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923510259 1261813694 /nfs/dbraw/zinc/81/36/94/1261813694.db2.gz YEIVPBGEMMYBAE-DNVCBOLYSA-N 1 3 347.459 2.730 20 5 EFBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923510260 1261814311 /nfs/dbraw/zinc/81/43/11/1261814311.db2.gz YEIVPBGEMMYBAE-HNAYVOBHSA-N 1 3 347.459 2.730 20 5 EFBDHO [NH3+]C1(Cc2ccc(F)cc2)CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998468 1272575350 /nfs/dbraw/zinc/57/53/50/1272575350.db2.gz NJHKKWFULMIQRF-NVXWUHKLSA-N 1 3 335.423 2.607 20 5 EFBDHO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOCC[NH+](C)C ZINC000872065379 1287417842 /nfs/dbraw/zinc/41/78/42/1287417842.db2.gz ZYSPKRQUTPTAOR-GFCCVEGCSA-N 1 3 327.450 2.546 20 5 EFBDHO CC[NH+](CC)CCNC(=N)Nc1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001163122173 1312245854 /nfs/dbraw/zinc/24/58/54/1312245854.db2.gz CWEOHFSJCPUSBU-UHFFFAOYSA-N 1 3 344.419 2.729 20 5 EFBDHO C[NH+](C)Cc1cccc(CNc2cc3c(cc2[N+](=O)[O-])CNC3)c1 ZINC001163994973 1312422781 /nfs/dbraw/zinc/42/27/81/1312422781.db2.gz XVTRQRIGJQJLHR-UHFFFAOYSA-N 1 3 326.400 2.872 20 5 EFBDHO NC[C@H]1CCCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246589258 1314652427 /nfs/dbraw/zinc/65/24/27/1314652427.db2.gz DRKZNSOBYSGLRF-OAHLLOKOSA-N 1 3 332.448 2.624 20 5 EFBDHO NC[C@H]1CCCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246589258 1314652429 /nfs/dbraw/zinc/65/24/29/1314652429.db2.gz DRKZNSOBYSGLRF-OAHLLOKOSA-N 1 3 332.448 2.624 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246625841 1314659376 /nfs/dbraw/zinc/65/93/76/1314659376.db2.gz FPPXDMLVBNCPMG-PKOBYXMFSA-N 1 3 329.444 2.918 20 5 EFBDHO COCC1(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000262295889 714638184 /nfs/dbraw/zinc/63/81/84/714638184.db2.gz WRRCYUWQOJZDKP-UHFFFAOYSA-N 1 3 344.415 2.880 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@]1(C[NH3+])CCCC[C@H]1C ZINC001579642336 1090648980 /nfs/dbraw/zinc/64/89/80/1090648980.db2.gz AMJCRKMGVBFIIL-KDOFPFPSSA-N 1 3 348.447 2.729 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC001579642335 1090649046 /nfs/dbraw/zinc/64/90/46/1090649046.db2.gz AMJCRKMGVBFIIL-KBXCAEBGSA-N 1 3 348.447 2.729 20 5 EFBDHO CC(C)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000441384826 250027474 /nfs/dbraw/zinc/02/74/74/250027474.db2.gz QXAQMQFRZMQTFM-UHFFFAOYSA-N 1 3 348.491 2.834 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449559145 251066247 /nfs/dbraw/zinc/06/62/47/251066247.db2.gz AZOSWEJXYNECMT-IICXIOTHSA-N 1 3 346.431 2.527 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449559145 251066251 /nfs/dbraw/zinc/06/62/51/251066251.db2.gz AZOSWEJXYNECMT-IICXIOTHSA-N 1 3 346.431 2.527 20 5 EFBDHO COc1cc(CNCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000278304510 267394867 /nfs/dbraw/zinc/39/48/67/267394867.db2.gz DGWGMYMRJAGCOJ-UHFFFAOYSA-N 1 3 349.431 2.576 20 5 EFBDHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154395486 293424408 /nfs/dbraw/zinc/42/44/08/293424408.db2.gz IEQZWRAAWIVBLC-GOSISDBHSA-N 1 3 334.464 2.663 20 5 EFBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000415133296 312100406 /nfs/dbraw/zinc/10/04/06/312100406.db2.gz VBABNQVKCDSETC-BHSKVQTESA-N 1 3 345.443 2.826 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566475047 319082115 /nfs/dbraw/zinc/08/21/15/319082115.db2.gz JFLYEWGIDGHVBK-SFHVURJKSA-N 1 3 346.475 2.589 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154491260 472439434 /nfs/dbraw/zinc/43/94/34/472439434.db2.gz RHSPBHPFGGTEEK-KRWDZBQOSA-N 1 3 348.491 2.972 20 5 EFBDHO CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155668946 472592080 /nfs/dbraw/zinc/59/20/80/472592080.db2.gz VIKFPIXMPRQGOI-MAUKXSAKSA-N 1 3 334.464 2.662 20 5 EFBDHO CN(C)C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000114479124 473472590 /nfs/dbraw/zinc/47/25/90/473472590.db2.gz JUYGNKBOGIBPHI-CQSZACIVSA-N 1 3 344.415 2.676 20 5 EFBDHO CN(C)C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000114479124 473472595 /nfs/dbraw/zinc/47/25/95/473472595.db2.gz JUYGNKBOGIBPHI-CQSZACIVSA-N 1 3 344.415 2.676 20 5 EFBDHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192787131 473724905 /nfs/dbraw/zinc/72/49/05/473724905.db2.gz BBTRSRRFZNFHRO-INIZCTEOSA-N 1 3 334.464 2.662 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341464858 475062390 /nfs/dbraw/zinc/06/23/90/475062390.db2.gz SGSVHLSWZRRPMP-UKPHBRMFSA-N 1 3 346.431 2.528 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341464858 475062397 /nfs/dbraw/zinc/06/23/97/475062397.db2.gz SGSVHLSWZRRPMP-UKPHBRMFSA-N 1 3 346.431 2.528 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422632644 476724720 /nfs/dbraw/zinc/72/47/20/476724720.db2.gz HCSRRBKHEMRZEX-ZNMIVQPWSA-N 1 3 348.447 2.537 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000430552218 476854933 /nfs/dbraw/zinc/85/49/33/476854933.db2.gz NAXZTLXQNJVLDO-HNNXBMFYSA-N 1 3 336.436 2.537 20 5 EFBDHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CN1CCCC1 ZINC000447547580 477009500 /nfs/dbraw/zinc/00/95/00/477009500.db2.gz CQHVDMWCAKEEHE-OWCLPIDISA-N 1 3 335.452 2.597 20 5 EFBDHO CC1(C)CNCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420363104 477721804 /nfs/dbraw/zinc/72/18/04/477721804.db2.gz NTAAVBOKIYRHST-MRXNPFEDSA-N 1 3 344.415 2.770 20 5 EFBDHO Cc1c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000420395942 477746211 /nfs/dbraw/zinc/74/62/11/477746211.db2.gz UVZWDAXHNCVFJS-WMZOPIPTSA-N 1 3 333.432 2.622 20 5 EFBDHO COc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000459380334 477875008 /nfs/dbraw/zinc/87/50/08/477875008.db2.gz BFOVVERROLWPPC-UHFFFAOYSA-N 1 3 342.399 2.757 20 5 EFBDHO CC[NH+]1CCC(N2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000420984403 477876925 /nfs/dbraw/zinc/87/69/25/477876925.db2.gz SZDPAVQCGHEQBJ-UHFFFAOYSA-N 1 3 346.475 2.587 20 5 EFBDHO CCN1CCC([N@@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000420985879 477880928 /nfs/dbraw/zinc/88/09/28/477880928.db2.gz XCCCAQBNKHXUCK-UHFFFAOYSA-N 1 3 346.475 2.587 20 5 EFBDHO CCN1CCC([N@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000420985879 477880939 /nfs/dbraw/zinc/88/09/39/477880939.db2.gz XCCCAQBNKHXUCK-UHFFFAOYSA-N 1 3 346.475 2.587 20 5 EFBDHO CC[NH+]1CCC(N2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000420985879 477880943 /nfs/dbraw/zinc/88/09/43/477880943.db2.gz XCCCAQBNKHXUCK-UHFFFAOYSA-N 1 3 346.475 2.587 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595106585 478662062 /nfs/dbraw/zinc/66/20/62/478662062.db2.gz VOXMCGRVZYFKQW-WMLDXEAASA-N 1 3 333.432 2.807 20 5 EFBDHO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433571 478893840 /nfs/dbraw/zinc/89/38/40/478893840.db2.gz DJQIEAAWQKRBKY-CVEARBPZSA-N 1 3 333.432 2.815 20 5 EFBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492573 478913599 /nfs/dbraw/zinc/91/35/99/478913599.db2.gz AVDHZQCHPPGFNA-HUUCEWRRSA-N 1 3 333.432 2.815 20 5 EFBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000573020628 478975389 /nfs/dbraw/zinc/97/53/89/478975389.db2.gz QQDZSARMIHXEBQ-KDOFPFPSSA-N 1 3 345.443 2.673 20 5 EFBDHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000602021169 479141244 /nfs/dbraw/zinc/14/12/44/479141244.db2.gz ODVSLRFRSPMRSH-CYBMUJFWSA-N 1 3 327.388 2.573 20 5 EFBDHO Cc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1[N+](=O)[O-] ZINC000602023458 479143577 /nfs/dbraw/zinc/14/35/77/479143577.db2.gz XKBATQIKTKSLKI-CQSZACIVSA-N 1 3 341.415 2.881 20 5 EFBDHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599070648 479148892 /nfs/dbraw/zinc/14/88/92/479148892.db2.gz MUOQBDQHHDXZRD-PMPSAXMXSA-N 1 3 335.452 2.597 20 5 EFBDHO CN(C)CCOc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602517164 479377546 /nfs/dbraw/zinc/37/75/46/479377546.db2.gz WOVQXKGUQCLYFQ-UHFFFAOYSA-N 1 3 343.427 2.868 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593730843 479437287 /nfs/dbraw/zinc/43/72/87/479437287.db2.gz IFDJJGOTSGQRMA-WMLDXEAASA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000593730843 479437294 /nfs/dbraw/zinc/43/72/94/479437294.db2.gz IFDJJGOTSGQRMA-WMLDXEAASA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000593730843 479437302 /nfs/dbraw/zinc/43/73/02/479437302.db2.gz IFDJJGOTSGQRMA-WMLDXEAASA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593739158 479440399 /nfs/dbraw/zinc/44/03/99/479440399.db2.gz YKUSXRFNIRDNIP-LZLYRXPVSA-N 1 3 333.432 2.622 20 5 EFBDHO Cc1c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593739157 479440523 /nfs/dbraw/zinc/44/05/23/479440523.db2.gz YKUSXRFNIRDNIP-JZXOWHBKSA-N 1 3 333.432 2.622 20 5 EFBDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000154262848 521682065 /nfs/dbraw/zinc/68/20/65/521682065.db2.gz DYKZMNOAPHBTQL-MRXNPFEDSA-N 1 3 334.464 2.581 20 5 EFBDHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192670560 535729798 /nfs/dbraw/zinc/72/97/98/535729798.db2.gz NWEUXLGLMKSUBY-HNAYVOBHSA-N 1 3 346.475 2.588 20 5 EFBDHO C[NH+]1CCC([C@@H]2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000755779061 575632307 /nfs/dbraw/zinc/63/23/07/575632307.db2.gz PZMMPPBRWUZSCT-OAHLLOKOSA-N 1 3 343.431 2.566 20 5 EFBDHO CC(C)N(C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764806621 576506030 /nfs/dbraw/zinc/50/60/30/576506030.db2.gz OSHDRFSMUQSJBL-UHFFFAOYSA-N 1 3 334.464 2.884 20 5 EFBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC001168968165 1272559380 /nfs/dbraw/zinc/55/93/80/1272559380.db2.gz XEQHIDMICOIQKQ-JAZQRGJZSA-N 1 3 343.471 2.932 20 5 EFBDHO [NH3+]C1(Cc2ccc(F)cc2)CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998469 1272574596 /nfs/dbraw/zinc/57/45/96/1272574596.db2.gz NJHKKWFULMIQRF-RDJZCZTQSA-N 1 3 335.423 2.607 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCCC[NH+]2CCCC2)c1F ZINC001173175426 1286451376 /nfs/dbraw/zinc/45/13/76/1286451376.db2.gz NEPPILOPRKTFTR-CYBMUJFWSA-N 1 3 339.411 2.749 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCN2CCCC2)c1F ZINC001173175426 1286451379 /nfs/dbraw/zinc/45/13/79/1286451379.db2.gz NEPPILOPRKTFTR-CYBMUJFWSA-N 1 3 339.411 2.749 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(C)(C)C[NH+](C)C)c1F ZINC001173190009 1286458046 /nfs/dbraw/zinc/45/80/46/1286458046.db2.gz TXJPRKVOTUFHSV-GFCCVEGCSA-N 1 3 341.427 2.851 20 5 EFBDHO Cc1c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873054929 1289542919 /nfs/dbraw/zinc/54/29/19/1289542919.db2.gz AULCUFQCEFZMJQ-GJZGRUSLSA-N 1 3 335.448 2.882 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2CCC[NH2+][C@@H]2C)c1F ZINC001246105134 1314583518 /nfs/dbraw/zinc/58/35/18/1314583518.db2.gz ARNCLFWLTKQLPV-XQQFMLRXSA-N 1 3 339.411 2.651 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246625839 1314658994 /nfs/dbraw/zinc/65/89/94/1314658994.db2.gz FPPXDMLVBNCPMG-MJGOQNOKSA-N 1 3 329.444 2.918 20 5 EFBDHO C[C@@H](N)C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001219372070 1315305652 /nfs/dbraw/zinc/30/56/52/1315305652.db2.gz XCHLCDIQFKJROL-SNVBAGLBSA-N 1 3 332.363 2.851 20 5 EFBDHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893366070 721033822 /nfs/dbraw/zinc/03/38/22/721033822.db2.gz ALLYLAPOVLSTLG-CQSZACIVSA-N 1 3 329.828 2.695 20 5 EFBDHO COc1c(O)ccc(CNCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000894625118 722801241 /nfs/dbraw/zinc/80/12/41/722801241.db2.gz AUHHLAJOWNOHCP-UHFFFAOYSA-N 1 3 337.420 2.665 20 5 EFBDHO COc1c([O-])ccc(C[NH2+]CCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000894625118 722801242 /nfs/dbraw/zinc/80/12/42/722801242.db2.gz AUHHLAJOWNOHCP-UHFFFAOYSA-N 1 3 337.420 2.665 20 5 EFBDHO COc1ccc(-c2ccc(CNCC3=CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC001579179392 1090536972 /nfs/dbraw/zinc/53/69/72/1090536972.db2.gz PRBILMDCUFWWHO-UHFFFAOYSA-N 1 3 343.383 2.873 20 5 EFBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447580402 282194369 /nfs/dbraw/zinc/19/43/69/282194369.db2.gz OKUMXJDZKJFPFA-JJXSEGSLSA-N 1 3 335.452 2.737 20 5 EFBDHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072305209 216143764 /nfs/dbraw/zinc/14/37/64/216143764.db2.gz CDOSTTPFXZXHFO-INIZCTEOSA-N 1 3 348.447 2.730 20 5 EFBDHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072305209 216143767 /nfs/dbraw/zinc/14/37/67/216143767.db2.gz CDOSTTPFXZXHFO-INIZCTEOSA-N 1 3 348.447 2.730 20 5 EFBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784474 244348339 /nfs/dbraw/zinc/34/83/39/244348339.db2.gz RIJLTOGWOABSCR-CABCVRRESA-N 1 3 333.432 2.815 20 5 EFBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349062000 285281792 /nfs/dbraw/zinc/28/17/92/285281792.db2.gz KKQRYLOYXZIDEU-SFHVURJKSA-N 1 3 348.491 2.751 20 5 EFBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349062000 285281793 /nfs/dbraw/zinc/28/17/93/285281793.db2.gz KKQRYLOYXZIDEU-SFHVURJKSA-N 1 3 348.491 2.751 20 5 EFBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000349071790 146047482 /nfs/dbraw/zinc/04/74/82/146047482.db2.gz HSTJYDBKZPCVTG-OAHLLOKOSA-N 1 3 340.493 2.504 20 5 EFBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000349071790 146047483 /nfs/dbraw/zinc/04/74/83/146047483.db2.gz HSTJYDBKZPCVTG-OAHLLOKOSA-N 1 3 340.493 2.504 20 5 EFBDHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CN1CCCC1 ZINC000447547582 298791277 /nfs/dbraw/zinc/79/12/77/298791277.db2.gz CQHVDMWCAKEEHE-PMPSAXMXSA-N 1 3 335.452 2.597 20 5 EFBDHO CCOc1ccc([N+](=O)[O-])cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278295190 267392964 /nfs/dbraw/zinc/39/29/64/267392964.db2.gz CBLFKLCPNFCSFH-UHFFFAOYSA-N 1 3 333.432 2.958 20 5 EFBDHO C[NH+](C)C1CCN(CCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192931272 276773008 /nfs/dbraw/zinc/77/30/08/276773008.db2.gz LNKKISVXINQPCG-LJQANCHMSA-N 1 3 346.475 2.588 20 5 EFBDHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423144163 279529029 /nfs/dbraw/zinc/52/90/29/279529029.db2.gz GESYEMXXHRVXEM-UONOGXRCSA-N 1 3 349.431 2.567 20 5 EFBDHO NCCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000420319790 303377429 /nfs/dbraw/zinc/37/74/29/303377429.db2.gz SHRMGDVWPCRADE-UHFFFAOYSA-N 1 3 348.447 2.764 20 5 EFBDHO NCCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000420319790 303377431 /nfs/dbraw/zinc/37/74/31/303377431.db2.gz SHRMGDVWPCRADE-UHFFFAOYSA-N 1 3 348.447 2.764 20 5 EFBDHO [NH3+]CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000420319790 303377434 /nfs/dbraw/zinc/37/74/34/303377434.db2.gz SHRMGDVWPCRADE-UHFFFAOYSA-N 1 3 348.447 2.764 20 5 EFBDHO Cc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000331262865 311363405 /nfs/dbraw/zinc/36/34/05/311363405.db2.gz DXQCPHOAPNFNBW-HNNXBMFYSA-N 1 3 334.464 2.580 20 5 EFBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC[C@@H]2CCC[NH2+]2)c1 ZINC000414977338 312070003 /nfs/dbraw/zinc/07/00/03/312070003.db2.gz RHPZVPFARICGQR-GFCCVEGCSA-N 1 3 329.347 2.818 20 5 EFBDHO [NH3+]C[C@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415038393 312081369 /nfs/dbraw/zinc/08/13/69/312081369.db2.gz NIUXTEUWELPVHB-AAEUAGOBSA-N 1 3 332.429 2.935 20 5 EFBDHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415038396 312081562 /nfs/dbraw/zinc/08/15/62/312081562.db2.gz NIUXTEUWELPVHB-DGCLKSJQSA-N 1 3 332.429 2.935 20 5 EFBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000415133303 312100425 /nfs/dbraw/zinc/10/04/25/312100425.db2.gz VBABNQVKCDSETC-NMXXFREBSA-N 1 3 345.443 2.826 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566475046 319081914 /nfs/dbraw/zinc/08/19/14/319081914.db2.gz JFLYEWGIDGHVBK-GOSISDBHSA-N 1 3 346.475 2.589 20 5 EFBDHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154272111 472409173 /nfs/dbraw/zinc/40/91/73/472409173.db2.gz VXGFYCXZVXWTAT-INIZCTEOSA-N 1 3 334.464 2.581 20 5 EFBDHO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155668724 472592006 /nfs/dbraw/zinc/59/20/06/472592006.db2.gz VIKFPIXMPRQGOI-CRAIPNDOSA-N 1 3 334.464 2.662 20 5 EFBDHO COCC[NH+]1CCC(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192737935 473716725 /nfs/dbraw/zinc/71/67/25/473716725.db2.gz XLVLLPIXEBETEZ-GOSISDBHSA-N 1 3 333.432 2.673 20 5 EFBDHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192942299 473748968 /nfs/dbraw/zinc/74/89/68/473748968.db2.gz OMEICZTZLBGARN-SJLPKXTDSA-N 1 3 335.448 2.919 20 5 EFBDHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282167540 473968582 /nfs/dbraw/zinc/96/85/82/473968582.db2.gz DTURXYQSMPCCRO-QGZVFWFLSA-N 1 3 334.464 2.662 20 5 EFBDHO CC[N@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289428076 474266246 /nfs/dbraw/zinc/26/62/46/474266246.db2.gz KDWMDGOJGSAEOU-UHFFFAOYSA-N 1 3 345.447 2.769 20 5 EFBDHO CC[N@@H+](CCCN(C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289428076 474266251 /nfs/dbraw/zinc/26/62/51/474266251.db2.gz KDWMDGOJGSAEOU-UHFFFAOYSA-N 1 3 345.447 2.769 20 5 EFBDHO CN(C/C=C/c1ccccc1[N+](=O)[O-])CCN(C)C1CC[NH+](C)CC1 ZINC000289444463 474273938 /nfs/dbraw/zinc/27/39/38/474273938.db2.gz MGVLGKARDYBASS-SOFGYWHQSA-N 1 3 346.475 2.566 20 5 EFBDHO COCC[N@H+](C)CCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000189432329 474396105 /nfs/dbraw/zinc/39/61/05/474396105.db2.gz FFUQNZIBDLIYIH-UHFFFAOYSA-N 1 3 332.404 2.832 20 5 EFBDHO COCC[N@@H+](C)CCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000189432329 474396106 /nfs/dbraw/zinc/39/61/06/474396106.db2.gz FFUQNZIBDLIYIH-UHFFFAOYSA-N 1 3 332.404 2.832 20 5 EFBDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000337058041 474670638 /nfs/dbraw/zinc/67/06/38/474670638.db2.gz VYGWMDYWVHSOSJ-GJZGRUSLSA-N 1 3 348.447 2.728 20 5 EFBDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000337058041 474670641 /nfs/dbraw/zinc/67/06/41/474670641.db2.gz VYGWMDYWVHSOSJ-GJZGRUSLSA-N 1 3 348.447 2.728 20 5 EFBDHO Cc1cc(NCCN2CCSCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000323850805 474956477 /nfs/dbraw/zinc/95/64/77/474956477.db2.gz PMCDHQYPUUAQOV-UHFFFAOYSA-N 1 3 332.429 2.912 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341464868 475062033 /nfs/dbraw/zinc/06/20/33/475062033.db2.gz SGSVHLSWZRRPMP-UNEWFSDZSA-N 1 3 346.431 2.528 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341464868 475062039 /nfs/dbraw/zinc/06/20/39/475062039.db2.gz SGSVHLSWZRRPMP-UNEWFSDZSA-N 1 3 346.431 2.528 20 5 EFBDHO CC(C)C[NH+]1CCC(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331991411 475478967 /nfs/dbraw/zinc/47/89/67/475478967.db2.gz ZJSWWGHIXWZLSY-IRXDYDNUSA-N 1 3 349.479 2.985 20 5 EFBDHO O=[N+]([O-])c1ccc(CCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422919456 476847315 /nfs/dbraw/zinc/84/73/15/476847315.db2.gz KBOUPVWJUKAFCB-GUDVDZBRSA-N 1 3 347.459 2.664 20 5 EFBDHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430600971 476877948 /nfs/dbraw/zinc/87/79/48/476877948.db2.gz SPASXTYZIDVVAA-DZGCQCFKSA-N 1 3 344.415 2.852 20 5 EFBDHO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420322347 477692554 /nfs/dbraw/zinc/69/25/54/477692554.db2.gz DTRMNOYCEOWZSD-STQMWFEESA-N 1 3 330.388 2.558 20 5 EFBDHO Cc1c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000420377053 477732850 /nfs/dbraw/zinc/73/28/50/477732850.db2.gz KNKKHNJPYLYAGJ-WMZOPIPTSA-N 1 3 333.432 2.622 20 5 EFBDHO Cc1c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000420395940 477746023 /nfs/dbraw/zinc/74/60/23/477746023.db2.gz UVZWDAXHNCVFJS-SJLPKXTDSA-N 1 3 333.432 2.622 20 5 EFBDHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418476 477865844 /nfs/dbraw/zinc/86/58/44/477865844.db2.gz HDCUNLKTKNOEDL-LSDHHAIUSA-N 1 3 348.447 2.632 20 5 EFBDHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418476 477865849 /nfs/dbraw/zinc/86/58/49/477865849.db2.gz HDCUNLKTKNOEDL-LSDHHAIUSA-N 1 3 348.447 2.632 20 5 EFBDHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000558418476 477865855 /nfs/dbraw/zinc/86/58/55/477865855.db2.gz HDCUNLKTKNOEDL-LSDHHAIUSA-N 1 3 348.447 2.632 20 5 EFBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCNC3(CCC3)C2)n1 ZINC000591582597 478587947 /nfs/dbraw/zinc/58/79/47/478587947.db2.gz NDJLWQTVQDLPRT-QLFBSQMISA-N 1 3 333.436 2.539 20 5 EFBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000591582597 478587955 /nfs/dbraw/zinc/58/79/55/478587955.db2.gz NDJLWQTVQDLPRT-QLFBSQMISA-N 1 3 333.436 2.539 20 5 EFBDHO C[NH+](C)CC1(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000563708281 478620887 /nfs/dbraw/zinc/62/08/87/478620887.db2.gz UCWPXNHNKNMAFP-UHFFFAOYSA-N 1 3 348.447 2.635 20 5 EFBDHO O=[N+]([O-])c1ccc(OCCN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595900602 479059291 /nfs/dbraw/zinc/05/92/91/479059291.db2.gz HWXYDPJDRWZXMC-INIZCTEOSA-N 1 3 333.432 2.685 20 5 EFBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314701 479289641 /nfs/dbraw/zinc/28/96/41/479289641.db2.gz FYNMSUIBBRAYKV-UUDSPYCISA-N 1 3 345.443 2.826 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736220 479439423 /nfs/dbraw/zinc/43/94/23/479439423.db2.gz JRZPYWFBEDSURK-LDDOYCOJSA-N 1 3 333.432 2.874 20 5 EFBDHO Cc1c(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593739159 479440607 /nfs/dbraw/zinc/44/06/07/479440607.db2.gz YKUSXRFNIRDNIP-XYJFISCASA-N 1 3 333.432 2.622 20 5 EFBDHO O=[N+]([O-])c1ccccc1OCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848017 479592201 /nfs/dbraw/zinc/59/22/01/479592201.db2.gz XSJZNUDLROTETO-UHFFFAOYSA-N 1 3 342.399 2.581 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154527244 529143613 /nfs/dbraw/zinc/14/36/13/529143613.db2.gz UTPYDYQJNZMPLJ-INIZCTEOSA-N 1 3 334.464 2.663 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000154481354 529143763 /nfs/dbraw/zinc/14/37/63/529143763.db2.gz GEQMGIZKMKSHEC-QGZVFWFLSA-N 1 3 348.491 2.972 20 5 EFBDHO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001169038952 1272606375 /nfs/dbraw/zinc/60/63/75/1272606375.db2.gz LTTRNYRBXRUYQD-OXQOHEQNSA-N 1 3 343.471 2.955 20 5 EFBDHO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001169038952 1272606388 /nfs/dbraw/zinc/60/63/88/1272606388.db2.gz LTTRNYRBXRUYQD-OXQOHEQNSA-N 1 3 343.471 2.955 20 5 EFBDHO CC[NH+]1CCC(N(C)[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170345849 1279051294 /nfs/dbraw/zinc/05/12/94/1279051294.db2.gz MZVUGNKBUSLOSU-AWEZNQCLSA-N 1 3 335.448 2.951 20 5 EFBDHO COc1ccc(C[C@H](C)[NH+]2CCC3(CN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC001170351094 1279056902 /nfs/dbraw/zinc/05/69/02/1279056902.db2.gz FFQZLJNMDODHKT-AWEZNQCLSA-N 1 3 333.432 2.562 20 5 EFBDHO CN1CC2(C1)CC[NH+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172922162 1286329593 /nfs/dbraw/zinc/32/95/93/1286329593.db2.gz WNKVKWFRLQNSNE-QGZVFWFLSA-N 1 3 329.444 2.870 20 5 EFBDHO CCCN(CCC[NH3+])[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180030 1286455387 /nfs/dbraw/zinc/45/53/87/1286455387.db2.gz SEUFJFRJEZHIHF-LBPRGKRZSA-N 1 3 327.400 2.734 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2CC[C@@H](C)[NH2+]C2)c1F ZINC001246102797 1314583234 /nfs/dbraw/zinc/58/32/34/1314583234.db2.gz XDLVWSFDXIAPGR-AGIUHOORSA-N 1 3 339.411 2.651 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2C[NH2+]CC[C@@H]2C)c1F ZINC001246122604 1314586379 /nfs/dbraw/zinc/58/63/79/1314586379.db2.gz XTHMUTHNXDQCEK-AVGNSLFASA-N 1 3 339.411 2.509 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(N)CCCCC2)c1F ZINC001246281054 1314606282 /nfs/dbraw/zinc/60/62/82/1314606282.db2.gz YWWNVVCIZMSWCT-GFCCVEGCSA-N 1 3 339.411 2.925 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC3CCC3)CC1)C2 ZINC001254587417 1315727780 /nfs/dbraw/zinc/72/77/80/1315727780.db2.gz XCWBFGLRTRLTSE-GOSISDBHSA-N 1 3 329.444 2.916 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H](NC1CC[NH+](CC3CCC3)CC1)C2 ZINC001254587417 1315727782 /nfs/dbraw/zinc/72/77/82/1315727782.db2.gz XCWBFGLRTRLTSE-GOSISDBHSA-N 1 3 329.444 2.916 20 5 EFBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784482 244347912 /nfs/dbraw/zinc/34/79/12/244347912.db2.gz RIJLTOGWOABSCR-LSDHHAIUSA-N 1 3 333.432 2.815 20 5 EFBDHO Cc1c(NC(=O)CCN(C)C[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118841314 221193889 /nfs/dbraw/zinc/19/38/89/221193889.db2.gz FQJUZMZNLKZQKN-HNNXBMFYSA-N 1 3 348.447 2.505 20 5 EFBDHO Cc1c(NC(=O)CCN(C)C[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118841314 221193892 /nfs/dbraw/zinc/19/38/92/221193892.db2.gz FQJUZMZNLKZQKN-HNNXBMFYSA-N 1 3 348.447 2.505 20 5 EFBDHO Cc1c(NC(=O)CCN(C)C[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118841313 221195857 /nfs/dbraw/zinc/19/58/57/221195857.db2.gz FQJUZMZNLKZQKN-OAHLLOKOSA-N 1 3 348.447 2.505 20 5 EFBDHO Cc1c(NC(=O)CCN(C)C[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118841313 221195859 /nfs/dbraw/zinc/19/58/59/221195859.db2.gz FQJUZMZNLKZQKN-OAHLLOKOSA-N 1 3 348.447 2.505 20 5 EFBDHO C[NH+](C)CCOCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000349190817 146064063 /nfs/dbraw/zinc/06/40/63/146064063.db2.gz LKKMDUMYUQTMSF-UHFFFAOYSA-N 1 3 333.388 2.523 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420331967 292296024 /nfs/dbraw/zinc/29/60/24/292296024.db2.gz MZJOVRKHXMMHOU-VHSSKADRSA-N 1 3 333.432 2.792 20 5 EFBDHO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000277107599 267115117 /nfs/dbraw/zinc/11/51/17/267115117.db2.gz GXIBEBSYEVMGEE-HNNXBMFYSA-N 1 3 348.447 2.648 20 5 EFBDHO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000277107599 267115118 /nfs/dbraw/zinc/11/51/18/267115118.db2.gz GXIBEBSYEVMGEE-HNNXBMFYSA-N 1 3 348.447 2.648 20 5 EFBDHO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297723288 310924454 /nfs/dbraw/zinc/92/44/54/310924454.db2.gz SAGRYAYQLIICCG-UHFFFAOYSA-N 1 3 326.400 2.791 20 5 EFBDHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415125580 312098368 /nfs/dbraw/zinc/09/83/68/312098368.db2.gz OKIJOHCKOONOLM-TUOCYHOTSA-N 1 3 345.443 2.826 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C[NH3+])C1CCCCC1 ZINC000420354378 312363394 /nfs/dbraw/zinc/36/33/94/312363394.db2.gz BFPPNXDYHGRIOZ-QGZVFWFLSA-N 1 3 348.447 2.729 20 5 EFBDHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296796684 323626782 /nfs/dbraw/zinc/62/67/82/323626782.db2.gz TWXBANBVIFTOJA-INIZCTEOSA-N 1 3 334.464 2.662 20 5 EFBDHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000150979018 473390241 /nfs/dbraw/zinc/39/02/41/473390241.db2.gz DBGSHRVWHYPANX-SFHVURJKSA-N 1 3 334.464 2.662 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000069948927 472473005 /nfs/dbraw/zinc/47/30/05/472473005.db2.gz CRWXYEKBZUVVSK-HNNXBMFYSA-N 1 3 348.447 2.505 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000069948927 472473009 /nfs/dbraw/zinc/47/30/09/472473009.db2.gz CRWXYEKBZUVVSK-HNNXBMFYSA-N 1 3 348.447 2.505 20 5 EFBDHO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCN(C)CC1 ZINC000128698711 472486011 /nfs/dbraw/zinc/48/60/11/472486011.db2.gz KARGJHWNMKXGAU-KRWDZBQOSA-N 1 3 348.491 2.533 20 5 EFBDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155632638 472584341 /nfs/dbraw/zinc/58/43/41/472584341.db2.gz AFTKQVLWXCRGPQ-CVEARBPZSA-N 1 3 334.464 2.580 20 5 EFBDHO Cc1c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000282495224 474087476 /nfs/dbraw/zinc/08/74/76/474087476.db2.gz XTKCNVUNZAQVIF-OAHLLOKOSA-N 1 3 334.464 2.580 20 5 EFBDHO Cc1c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000282495218 474087547 /nfs/dbraw/zinc/08/75/47/474087547.db2.gz XTKCNVUNZAQVIF-HNNXBMFYSA-N 1 3 334.464 2.580 20 5 EFBDHO CC(C)[C@](C)(C[NH3+])NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430553061 476855875 /nfs/dbraw/zinc/85/58/75/476855875.db2.gz SWTWGCINZVZQML-KRWDZBQOSA-N 1 3 332.404 2.755 20 5 EFBDHO COc1cc(C[NH2+][C@@H](C)CN)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414948488 476896762 /nfs/dbraw/zinc/89/67/62/476896762.db2.gz XJKPLAVWRBTRLC-ZDUSSCGKSA-N 1 3 345.399 2.619 20 5 EFBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430934777 476940817 /nfs/dbraw/zinc/94/08/17/476940817.db2.gz NTHJKIRUIZQGFH-UHFFFAOYSA-N 1 3 341.358 2.772 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423262594 476979318 /nfs/dbraw/zinc/97/93/18/476979318.db2.gz MVCBVYMADURQQF-DYVFJYSZSA-N 1 3 348.447 2.809 20 5 EFBDHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411229775 477161866 /nfs/dbraw/zinc/16/18/66/477161866.db2.gz UJHFXTJGJLMRTP-UHFFFAOYSA-N 1 3 348.447 2.728 20 5 EFBDHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411301439 477186133 /nfs/dbraw/zinc/18/61/33/477186133.db2.gz CZHPKXRLSGGKIP-UHFFFAOYSA-N 1 3 348.447 2.730 20 5 EFBDHO C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000420406782 477752099 /nfs/dbraw/zinc/75/20/99/477752099.db2.gz OABOVRRSVCXSBF-DZGCQCFKSA-N 1 3 344.415 2.709 20 5 EFBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCNC3(CCC3)C2)n1 ZINC000591582598 478587623 /nfs/dbraw/zinc/58/76/23/478587623.db2.gz NDJLWQTVQDLPRT-RBSFLKMASA-N 1 3 333.436 2.539 20 5 EFBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000591582598 478587632 /nfs/dbraw/zinc/58/76/32/478587632.db2.gz NDJLWQTVQDLPRT-RBSFLKMASA-N 1 3 333.436 2.539 20 5 EFBDHO CCCCN1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564857705 478834362 /nfs/dbraw/zinc/83/43/62/478834362.db2.gz XCBHZIMUDRYRJN-UHFFFAOYSA-N 1 3 348.447 2.778 20 5 EFBDHO CCCC[NH+]1CCC(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564857705 478834371 /nfs/dbraw/zinc/83/43/71/478834371.db2.gz XCBHZIMUDRYRJN-UHFFFAOYSA-N 1 3 348.447 2.778 20 5 EFBDHO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000573020630 478975372 /nfs/dbraw/zinc/97/53/72/478975372.db2.gz QQDZSARMIHXEBQ-RDTXWAMCSA-N 1 3 345.443 2.673 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000599072199 479149021 /nfs/dbraw/zinc/14/90/21/479149021.db2.gz ZWWSWFPWBQCUSJ-LSDHHAIUSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599072199 479149028 /nfs/dbraw/zinc/14/90/28/479149028.db2.gz ZWWSWFPWBQCUSJ-LSDHHAIUSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599072199 479149032 /nfs/dbraw/zinc/14/90/32/479149032.db2.gz ZWWSWFPWBQCUSJ-LSDHHAIUSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000584715411 479216088 /nfs/dbraw/zinc/21/60/88/479216088.db2.gz RXWYCLFVCSDASE-OAHLLOKOSA-N 1 3 348.447 2.635 20 5 EFBDHO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CN1CCCCC1 ZINC000584715411 479216093 /nfs/dbraw/zinc/21/60/93/479216093.db2.gz RXWYCLFVCSDASE-OAHLLOKOSA-N 1 3 348.447 2.635 20 5 EFBDHO [NH3+]Cc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000593324532 479296205 /nfs/dbraw/zinc/29/62/05/479296205.db2.gz WUFKGNKTCQFVSU-CVEARBPZSA-N 1 3 347.394 2.663 20 5 EFBDHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CN1CCCCC1 ZINC000618565406 479494746 /nfs/dbraw/zinc/49/47/46/479494746.db2.gz XPSUZHHWYZCZCO-IKGGRYGDSA-N 1 3 349.479 2.987 20 5 EFBDHO O=[N+]([O-])c1ccc(OCCN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844364 479589010 /nfs/dbraw/zinc/58/90/10/479589010.db2.gz CDEAKYRIURMPJL-UHFFFAOYSA-N 1 3 342.399 2.581 20 5 EFBDHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072858168 520253267 /nfs/dbraw/zinc/25/32/67/520253267.db2.gz GETTUCCGTSECRO-OAHLLOKOSA-N 1 3 348.447 2.505 20 5 EFBDHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072858168 520253276 /nfs/dbraw/zinc/25/32/76/520253276.db2.gz GETTUCCGTSECRO-OAHLLOKOSA-N 1 3 348.447 2.505 20 5 EFBDHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192670572 535741025 /nfs/dbraw/zinc/74/10/25/535741025.db2.gz NWEUXLGLMKSUBY-DNVCBOLYSA-N 1 3 346.475 2.588 20 5 EFBDHO CC[NH+]1CCC(N(C)[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170345850 1279051929 /nfs/dbraw/zinc/05/19/29/1279051929.db2.gz MZVUGNKBUSLOSU-CQSZACIVSA-N 1 3 335.448 2.951 20 5 EFBDHO COc1ccc(C[C@@H](C)[NH+]2CCC3(CN(C)C3)CC2)c([N+](=O)[O-])c1 ZINC001170351095 1279058137 /nfs/dbraw/zinc/05/81/37/1279058137.db2.gz FFQZLJNMDODHKT-CQSZACIVSA-N 1 3 333.432 2.562 20 5 EFBDHO CCOC(=O)C1=C(Nc2ccccc2C[N+](C)(C)CC)CCNC1 ZINC001170516454 1281203848 /nfs/dbraw/zinc/20/38/48/1281203848.db2.gz DEWQXXYVERMPLL-UHFFFAOYSA-O 1 3 332.468 2.505 20 5 EFBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000873081117 1289558117 /nfs/dbraw/zinc/55/81/17/1289558117.db2.gz YLZYWALYNQVRRP-RBUKOAKNSA-N 1 3 347.459 2.679 20 5 EFBDHO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903726447 1313123310 /nfs/dbraw/zinc/12/33/10/1313123310.db2.gz LWIYQQWOAKOFDR-SFHVURJKSA-N 1 3 347.459 2.964 20 5 EFBDHO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164211157 1312469527 /nfs/dbraw/zinc/46/95/27/1312469527.db2.gz KDEMFZRMHOMZNM-UHFFFAOYSA-N 1 3 334.464 2.958 20 5 EFBDHO C[C@H]1CC2(CN1Cc1nc3cc([N+](=O)[O-])ccc3o1)CC[NH2+]CC2 ZINC001576636675 1089370760 /nfs/dbraw/zinc/37/07/60/1089370760.db2.gz FYOXZOSWALWLRS-LBPRGKRZSA-N 1 3 330.388 2.700 20 5 EFBDHO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784476 244347961 /nfs/dbraw/zinc/34/79/61/244347961.db2.gz RIJLTOGWOABSCR-GJZGRUSLSA-N 1 3 333.432 2.815 20 5 EFBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349061999 285250926 /nfs/dbraw/zinc/25/09/26/285250926.db2.gz KKQRYLOYXZIDEU-GOSISDBHSA-N 1 3 348.491 2.751 20 5 EFBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349061999 285250929 /nfs/dbraw/zinc/25/09/29/285250929.db2.gz KKQRYLOYXZIDEU-GOSISDBHSA-N 1 3 348.491 2.751 20 5 EFBDHO C[NH+](C)CCOCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349210236 146066239 /nfs/dbraw/zinc/06/62/39/146066239.db2.gz CXACJKKWRNJYOY-UHFFFAOYSA-N 1 3 333.388 2.523 20 5 EFBDHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423144162 279529388 /nfs/dbraw/zinc/52/93/88/279529388.db2.gz GESYEMXXHRVXEM-KBPBESRZSA-N 1 3 349.431 2.567 20 5 EFBDHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447580401 289309867 /nfs/dbraw/zinc/30/98/67/289309867.db2.gz OKUMXJDZKJFPFA-FZKCQIBNSA-N 1 3 335.452 2.737 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414832929 312055694 /nfs/dbraw/zinc/05/56/94/312055694.db2.gz FHCJIPBYEHZSKD-CXAGYDPISA-N 1 3 348.447 2.809 20 5 EFBDHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414987659 312071900 /nfs/dbraw/zinc/07/19/00/312071900.db2.gz JSLCSOVOONSKNB-BTOWRCTQSA-N 1 3 341.358 2.802 20 5 EFBDHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415038400 312081388 /nfs/dbraw/zinc/08/13/88/312081388.db2.gz NIUXTEUWELPVHB-YPMHNXCESA-N 1 3 332.429 2.935 20 5 EFBDHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000415139140 312101924 /nfs/dbraw/zinc/10/19/24/312101924.db2.gz IGYHJWMRIVGCEC-UHFFFAOYSA-N 1 3 347.440 2.609 20 5 EFBDHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000552099507 318242438 /nfs/dbraw/zinc/24/24/38/318242438.db2.gz LDMUZVHFTQRHEF-YOEHRIQHSA-N 1 3 348.447 2.776 20 5 EFBDHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000552099507 318242440 /nfs/dbraw/zinc/24/24/40/318242440.db2.gz LDMUZVHFTQRHEF-YOEHRIQHSA-N 1 3 348.447 2.776 20 5 EFBDHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000569305390 319366808 /nfs/dbraw/zinc/36/68/08/319366808.db2.gz HILYENFTQZHXSZ-LJQANCHMSA-N 1 3 346.475 2.589 20 5 EFBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000578668643 320228608 /nfs/dbraw/zinc/22/86/08/320228608.db2.gz JUXYMKAQAUKAAI-QXAKKESOSA-N 1 3 345.443 2.550 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154490896 472439771 /nfs/dbraw/zinc/43/97/71/472439771.db2.gz QZXDDOCYCAAQLM-QGZVFWFLSA-N 1 3 348.491 2.972 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000069948925 472472463 /nfs/dbraw/zinc/47/24/63/472472463.db2.gz CRWXYEKBZUVVSK-OAHLLOKOSA-N 1 3 348.447 2.505 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000069948925 472472465 /nfs/dbraw/zinc/47/24/65/472472465.db2.gz CRWXYEKBZUVVSK-OAHLLOKOSA-N 1 3 348.447 2.505 20 5 EFBDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000155651044 472588380 /nfs/dbraw/zinc/58/83/80/472588380.db2.gz QKNOTUWWZQGYRE-GDBMZVCRSA-N 1 3 334.464 2.580 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000182943776 474293411 /nfs/dbraw/zinc/29/34/11/474293411.db2.gz ISXWYTNTIHPUCV-INIZCTEOSA-N 1 3 348.491 2.922 20 5 EFBDHO C[NH+](C)CCCC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271038785 474379900 /nfs/dbraw/zinc/37/99/00/474379900.db2.gz MMEVDDLSTNACLX-SFHVURJKSA-N 1 3 335.448 2.682 20 5 EFBDHO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326872085 475012131 /nfs/dbraw/zinc/01/21/31/475012131.db2.gz AXRNFOWXZSDQQH-GJZGRUSLSA-N 1 3 342.399 2.727 20 5 EFBDHO Cc1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326872085 475012136 /nfs/dbraw/zinc/01/21/36/475012136.db2.gz AXRNFOWXZSDQQH-GJZGRUSLSA-N 1 3 342.399 2.727 20 5 EFBDHO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326872086 475012907 /nfs/dbraw/zinc/01/29/07/475012907.db2.gz AXRNFOWXZSDQQH-HUUCEWRRSA-N 1 3 342.399 2.727 20 5 EFBDHO Cc1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326872086 475012909 /nfs/dbraw/zinc/01/29/09/475012909.db2.gz AXRNFOWXZSDQQH-HUUCEWRRSA-N 1 3 342.399 2.727 20 5 EFBDHO Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326872084 475013251 /nfs/dbraw/zinc/01/32/51/475013251.db2.gz AXRNFOWXZSDQQH-CABCVRRESA-N 1 3 342.399 2.727 20 5 EFBDHO Cc1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326872084 475013260 /nfs/dbraw/zinc/01/32/60/475013260.db2.gz AXRNFOWXZSDQQH-CABCVRRESA-N 1 3 342.399 2.727 20 5 EFBDHO CC(C)[C@@](C)(C[NH3+])NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430553062 476856339 /nfs/dbraw/zinc/85/63/39/476856339.db2.gz SWTWGCINZVZQML-QGZVFWFLSA-N 1 3 332.404 2.755 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000430567375 476862993 /nfs/dbraw/zinc/86/29/93/476862993.db2.gz FKXAWDTXCQEDAK-HNNXBMFYSA-N 1 3 336.436 2.537 20 5 EFBDHO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420322344 477692761 /nfs/dbraw/zinc/69/27/61/477692761.db2.gz DTRMNOYCEOWZSD-CHWSQXEVSA-N 1 3 330.388 2.558 20 5 EFBDHO CC1(C)CNCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420363101 477721756 /nfs/dbraw/zinc/72/17/56/477721756.db2.gz NTAAVBOKIYRHST-INIZCTEOSA-N 1 3 344.415 2.770 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420379742 477734894 /nfs/dbraw/zinc/73/48/94/477734894.db2.gz NJZZDCQTBZKHDF-MZMPZRCHSA-N 1 3 333.432 2.874 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420379744 477735000 /nfs/dbraw/zinc/73/50/00/477735000.db2.gz NJZZDCQTBZKHDF-QBIMZIAESA-N 1 3 333.432 2.874 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420379746 477735677 /nfs/dbraw/zinc/73/56/77/477735677.db2.gz NJZZDCQTBZKHDF-RPVQJOFSSA-N 1 3 333.432 2.874 20 5 EFBDHO CCN1CCC([N@@H+]2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420984063 477877837 /nfs/dbraw/zinc/87/78/37/477877837.db2.gz SBWHBFSLQWLIGY-UHFFFAOYSA-N 1 3 346.475 2.587 20 5 EFBDHO CCN1CCC([N@H+]2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420984063 477877845 /nfs/dbraw/zinc/87/78/45/477877845.db2.gz SBWHBFSLQWLIGY-UHFFFAOYSA-N 1 3 346.475 2.587 20 5 EFBDHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420984063 477877850 /nfs/dbraw/zinc/87/78/50/477877850.db2.gz SBWHBFSLQWLIGY-UHFFFAOYSA-N 1 3 346.475 2.587 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000540161640 478465891 /nfs/dbraw/zinc/46/58/91/478465891.db2.gz YBLVMJZTHVURQS-JVPBZIDWSA-N 1 3 347.459 2.932 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282690 478509004 /nfs/dbraw/zinc/50/90/04/478509004.db2.gz QEWLDJURWXBRBD-ZFWWWQNUSA-N 1 3 346.431 2.576 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591282690 478509009 /nfs/dbraw/zinc/50/90/09/478509009.db2.gz QEWLDJURWXBRBD-ZFWWWQNUSA-N 1 3 346.431 2.576 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582252 478584759 /nfs/dbraw/zinc/58/47/59/478584759.db2.gz AKQRRKBWNPLELG-UKRRQHHQSA-N 1 3 346.431 2.576 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591582252 478584763 /nfs/dbraw/zinc/58/47/63/478584763.db2.gz AKQRRKBWNPLELG-UKRRQHHQSA-N 1 3 346.431 2.576 20 5 EFBDHO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433578 478893870 /nfs/dbraw/zinc/89/38/70/478893870.db2.gz DJQIEAAWQKRBKY-HZPDHXFCSA-N 1 3 333.432 2.815 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595905911 479063264 /nfs/dbraw/zinc/06/32/64/479063264.db2.gz XRTTZKZJPKIZLG-CXAGYDPISA-N 1 3 348.447 2.681 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000599070139 479147473 /nfs/dbraw/zinc/14/74/73/479147473.db2.gz LJKXGPQNPVAFQX-GJZGRUSLSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599070139 479147478 /nfs/dbraw/zinc/14/74/78/479147478.db2.gz LJKXGPQNPVAFQX-GJZGRUSLSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599070139 479147485 /nfs/dbraw/zinc/14/74/85/479147485.db2.gz LJKXGPQNPVAFQX-GJZGRUSLSA-N 1 3 348.447 2.633 20 5 EFBDHO CN1CCCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599070647 479149237 /nfs/dbraw/zinc/14/92/37/479149237.db2.gz MUOQBDQHHDXZRD-OWCLPIDISA-N 1 3 335.452 2.597 20 5 EFBDHO [NH3+]Cc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000593324536 479296421 /nfs/dbraw/zinc/29/64/21/479296421.db2.gz WUFKGNKTCQFVSU-HZPDHXFCSA-N 1 3 347.394 2.663 20 5 EFBDHO CN(C)CCOc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602525850 479381292 /nfs/dbraw/zinc/38/12/92/479381292.db2.gz SSTXDUBPCSFVTL-UHFFFAOYSA-N 1 3 343.427 2.868 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593730844 479437824 /nfs/dbraw/zinc/43/78/24/479437824.db2.gz IFDJJGOTSGQRMA-YOEHRIQHSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000593730844 479437830 /nfs/dbraw/zinc/43/78/30/479437830.db2.gz IFDJJGOTSGQRMA-YOEHRIQHSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000593730844 479437840 /nfs/dbraw/zinc/43/78/40/479437840.db2.gz IFDJJGOTSGQRMA-YOEHRIQHSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593730842 479438488 /nfs/dbraw/zinc/43/84/88/479438488.db2.gz IFDJJGOTSGQRMA-RHSMWYFYSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000593730842 479438495 /nfs/dbraw/zinc/43/84/95/479438495.db2.gz IFDJJGOTSGQRMA-RHSMWYFYSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000593730842 479438498 /nfs/dbraw/zinc/43/84/98/479438498.db2.gz IFDJJGOTSGQRMA-RHSMWYFYSA-N 1 3 348.447 2.681 20 5 EFBDHO CCN1CCN(CCC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000344818594 535699072 /nfs/dbraw/zinc/69/90/72/535699072.db2.gz FGAAZDGDJUSJAZ-VKAVYKQESA-N 1 3 346.475 2.615 20 5 EFBDHO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317685 1279011274 /nfs/dbraw/zinc/01/12/74/1279011274.db2.gz JJAVVRSBFTYHGX-CWRNSKLLSA-N 1 3 335.448 2.997 20 5 EFBDHO COc1ccc(C[C@@H](C)N[C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317705 1279011590 /nfs/dbraw/zinc/01/15/90/1279011590.db2.gz JRFFLKPJJPCFLH-ZBFHGGJFSA-N 1 3 335.448 2.854 20 5 EFBDHO COc1ccc(C[C@@H](C)N[C@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317705 1279011602 /nfs/dbraw/zinc/01/16/02/1279011602.db2.gz JRFFLKPJJPCFLH-ZBFHGGJFSA-N 1 3 335.448 2.854 20 5 EFBDHO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOCC[NH+](C)C ZINC000872065380 1287417944 /nfs/dbraw/zinc/41/79/44/1287417944.db2.gz ZYSPKRQUTPTAOR-LBPRGKRZSA-N 1 3 327.450 2.546 20 5 EFBDHO CN(CCCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-])CC[NH+](C)C ZINC000808781801 1281897412 /nfs/dbraw/zinc/89/74/12/1281897412.db2.gz RLOWCDRBVFKNSL-UHFFFAOYSA-N 1 3 342.871 2.564 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2C[NH2+]C[C@H](C)C2)c1F ZINC001246095335 1314582530 /nfs/dbraw/zinc/58/25/30/1314582530.db2.gz BHHZOBXGSFEXFE-FRRDWIJNSA-N 1 3 339.411 2.509 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2CC[C@@H](C)[NH2+]C2)c1F ZINC001246102800 1314583889 /nfs/dbraw/zinc/58/38/89/1314583889.db2.gz XDLVWSFDXIAPGR-FRRDWIJNSA-N 1 3 339.411 2.651 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2C[NH2+]CC[C@H]2C)c1F ZINC001246122603 1314585949 /nfs/dbraw/zinc/58/59/49/1314585949.db2.gz XTHMUTHNXDQCEK-AGIUHOORSA-N 1 3 339.411 2.509 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(C1)CNCC[C@@H]3F)CC2 ZINC001246693703 1314671880 /nfs/dbraw/zinc/67/18/80/1314671880.db2.gz QCUJALRUGXEOIC-NEWSRXKRSA-N 1 3 347.434 2.866 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@]3(C1)CNCC[C@@H]3F)CC2 ZINC001246693703 1314671884 /nfs/dbraw/zinc/67/18/84/1314671884.db2.gz QCUJALRUGXEOIC-NEWSRXKRSA-N 1 3 347.434 2.866 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(C1)CNCC[C@@H]3F)CC2 ZINC001246693704 1314671962 /nfs/dbraw/zinc/67/19/62/1314671962.db2.gz QCUJALRUGXEOIC-NZSAHSFTSA-N 1 3 347.434 2.866 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@]3(C1)CNCC[C@@H]3F)CC2 ZINC001246693704 1314671964 /nfs/dbraw/zinc/67/19/64/1314671964.db2.gz QCUJALRUGXEOIC-NZSAHSFTSA-N 1 3 347.434 2.866 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N3CC[C@H]4[NH2+]CCC[C@H]4C3)CC2)cc1 ZINC001247016415 1314731810 /nfs/dbraw/zinc/73/18/10/1314731810.db2.gz UXTBZYXKSXKIHP-HNAYVOBHSA-N 1 3 344.459 2.638 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001254577589 1315726663 /nfs/dbraw/zinc/72/66/63/1315726663.db2.gz FPHCPXCPVKEQPV-MJUUVYJYSA-N 1 3 349.434 2.782 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N[C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001254577589 1315726665 /nfs/dbraw/zinc/72/66/65/1315726665.db2.gz FPHCPXCPVKEQPV-MJUUVYJYSA-N 1 3 349.434 2.782 20 5 EFBDHO COc1c([O-])ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001579136727 1090522893 /nfs/dbraw/zinc/52/28/93/1090522893.db2.gz QBBBNLJPZOGRHC-AWEZNQCLSA-N 1 3 349.431 2.521 20 5 EFBDHO COc1c([O-])ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001579136727 1090522897 /nfs/dbraw/zinc/52/28/97/1090522897.db2.gz QBBBNLJPZOGRHC-AWEZNQCLSA-N 1 3 349.431 2.521 20 5 EFBDHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072759280 203243448 /nfs/dbraw/zinc/24/34/48/203243448.db2.gz BBIGANQKSWLQML-HNNXBMFYSA-N 1 3 348.447 2.730 20 5 EFBDHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000072759280 203243450 /nfs/dbraw/zinc/24/34/50/203243450.db2.gz BBIGANQKSWLQML-HNNXBMFYSA-N 1 3 348.447 2.730 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449559146 251065818 /nfs/dbraw/zinc/06/58/18/251065818.db2.gz AZOSWEJXYNECMT-JATKITJMSA-N 1 3 346.431 2.527 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449559146 251065823 /nfs/dbraw/zinc/06/58/23/251065823.db2.gz AZOSWEJXYNECMT-JATKITJMSA-N 1 3 346.431 2.527 20 5 EFBDHO C[NH+]1CCC2(CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374157396 151292841 /nfs/dbraw/zinc/29/28/41/151292841.db2.gz FTHWQTSSJXVJMV-UHFFFAOYSA-N 1 3 333.432 2.781 20 5 EFBDHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271560003 266007780 /nfs/dbraw/zinc/00/77/80/266007780.db2.gz WNHVNCAPXHSQIE-YJLNNSPDSA-N 1 3 347.459 2.932 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154385676 293423663 /nfs/dbraw/zinc/42/36/63/293423663.db2.gz ZCNDJXCIJLZCHM-MRXNPFEDSA-N 1 3 334.464 2.581 20 5 EFBDHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000290445516 294088521 /nfs/dbraw/zinc/08/85/21/294088521.db2.gz LZNFPZDGQPPRTK-MRXNPFEDSA-N 1 3 333.432 2.767 20 5 EFBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000415133300 312100543 /nfs/dbraw/zinc/10/05/43/312100543.db2.gz VBABNQVKCDSETC-GBNVKOLXSA-N 1 3 345.443 2.826 20 5 EFBDHO O=[N+]([O-])c1ccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000565533753 318979952 /nfs/dbraw/zinc/97/99/52/318979952.db2.gz JMYWZAPJGUNTBN-RCCFBDPRSA-N 1 3 333.432 2.874 20 5 EFBDHO CC(C)(C)N1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000581305343 324348634 /nfs/dbraw/zinc/34/86/34/324348634.db2.gz DILXNLYMPYGYIX-UHFFFAOYSA-N 1 3 348.447 2.776 20 5 EFBDHO Cc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000150969692 473388888 /nfs/dbraw/zinc/38/88/88/473388888.db2.gz WTLOBBVCVHWCPK-HNNXBMFYSA-N 1 3 334.464 2.580 20 5 EFBDHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000150979063 473390704 /nfs/dbraw/zinc/39/07/04/473390704.db2.gz DBGSHRVWHYPANX-GOSISDBHSA-N 1 3 334.464 2.662 20 5 EFBDHO Cc1c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000154386241 472427642 /nfs/dbraw/zinc/42/76/42/472427642.db2.gz COBYKROEZDTRAD-MRXNPFEDSA-N 1 3 334.464 2.581 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118843386 472512819 /nfs/dbraw/zinc/51/28/19/472512819.db2.gz WXHBCKDZASUDFZ-HNNXBMFYSA-N 1 3 348.447 2.505 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843386 472512822 /nfs/dbraw/zinc/51/28/22/472512822.db2.gz WXHBCKDZASUDFZ-HNNXBMFYSA-N 1 3 348.447 2.505 20 5 EFBDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155632871 472584540 /nfs/dbraw/zinc/58/45/40/472584540.db2.gz AFTKQVLWXCRGPQ-HZPDHXFCSA-N 1 3 334.464 2.580 20 5 EFBDHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192787144 473724088 /nfs/dbraw/zinc/72/40/88/473724088.db2.gz BBTRSRRFZNFHRO-MRXNPFEDSA-N 1 3 334.464 2.662 20 5 EFBDHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192942318 473749294 /nfs/dbraw/zinc/74/92/94/473749294.db2.gz OMEICZTZLBGARN-WMZOPIPTSA-N 1 3 335.448 2.919 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173319390 473805112 /nfs/dbraw/zinc/80/51/12/473805112.db2.gz YREZDGCIUVABMO-INIZCTEOSA-N 1 3 334.464 2.663 20 5 EFBDHO CN(C)CCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609223268 480128536 /nfs/dbraw/zinc/12/85/36/480128536.db2.gz COHJQMMMLOSLGG-UHFFFAOYSA-N 1 3 343.427 2.868 20 5 EFBDHO Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326872087 475012500 /nfs/dbraw/zinc/01/25/00/475012500.db2.gz AXRNFOWXZSDQQH-LSDHHAIUSA-N 1 3 342.399 2.727 20 5 EFBDHO Cc1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326872087 475012512 /nfs/dbraw/zinc/01/25/12/475012512.db2.gz AXRNFOWXZSDQQH-LSDHHAIUSA-N 1 3 342.399 2.727 20 5 EFBDHO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000294221831 475063862 /nfs/dbraw/zinc/06/38/62/475063862.db2.gz NQXXHKRJGNLMNS-UHFFFAOYSA-N 1 3 326.400 2.791 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000281180005 475104838 /nfs/dbraw/zinc/10/48/38/475104838.db2.gz AUXJMRRSASCHIS-UHFFFAOYSA-N 1 3 348.447 2.650 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000281180005 475104848 /nfs/dbraw/zinc/10/48/48/475104848.db2.gz AUXJMRRSASCHIS-UHFFFAOYSA-N 1 3 348.447 2.650 20 5 EFBDHO [NH3+]CC[C@@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352503147 475359440 /nfs/dbraw/zinc/35/94/40/475359440.db2.gz CCUGYEIQAKDRBX-HNNXBMFYSA-N 1 3 344.415 2.996 20 5 EFBDHO CC(C)C[NH+]1CCC(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331991406 475478179 /nfs/dbraw/zinc/47/81/79/475478179.db2.gz ZJSWWGHIXWZLSY-IAGOWNOFSA-N 1 3 349.479 2.985 20 5 EFBDHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000358364302 475621310 /nfs/dbraw/zinc/62/13/10/475621310.db2.gz IEULWTNMOFURAV-VQIMIIECSA-N 1 3 349.475 2.864 20 5 EFBDHO CCOCCC[N@H+]1CC[C@@H](NCCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000358364302 475621314 /nfs/dbraw/zinc/62/13/14/475621314.db2.gz IEULWTNMOFURAV-VQIMIIECSA-N 1 3 349.475 2.864 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360038643 476285601 /nfs/dbraw/zinc/28/56/01/476285601.db2.gz ICTWJTSLXBMIKD-BMFZPTHFSA-N 1 3 346.431 2.528 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360038643 476285606 /nfs/dbraw/zinc/28/56/06/476285606.db2.gz ICTWJTSLXBMIKD-BMFZPTHFSA-N 1 3 346.431 2.528 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422641304 476728116 /nfs/dbraw/zinc/72/81/16/476728116.db2.gz XMWUEHWLYXGIGM-QEJZJMRPSA-N 1 3 348.447 2.537 20 5 EFBDHO CC1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518594 477001492 /nfs/dbraw/zinc/00/14/92/477001492.db2.gz OCBILSNGIVTKRB-IAGOWNOFSA-N 1 3 349.479 2.987 20 5 EFBDHO CC1CC[NH+](CCCN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518594 477001497 /nfs/dbraw/zinc/00/14/97/477001497.db2.gz OCBILSNGIVTKRB-IAGOWNOFSA-N 1 3 349.479 2.987 20 5 EFBDHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541225 477008127 /nfs/dbraw/zinc/00/81/27/477008127.db2.gz FXIWSDIBOZEZNE-BRWVUGGUSA-N 1 3 349.479 2.985 20 5 EFBDHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CN1CCCC1 ZINC000447547577 477009064 /nfs/dbraw/zinc/00/90/64/477009064.db2.gz CQHVDMWCAKEEHE-BZUAXINKSA-N 1 3 335.452 2.597 20 5 EFBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449159557 477463242 /nfs/dbraw/zinc/46/32/42/477463242.db2.gz HHJMAGLFXXHZAQ-HZPDHXFCSA-N 1 3 347.459 2.616 20 5 EFBDHO Cc1c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000420377045 477733916 /nfs/dbraw/zinc/73/39/16/477733916.db2.gz KNKKHNJPYLYAGJ-AEFFLSMTSA-N 1 3 333.432 2.622 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420380225 477735025 /nfs/dbraw/zinc/73/50/25/477735025.db2.gz YFQBHCPJKUIDMC-KRWDZBQOSA-N 1 3 348.447 2.729 20 5 EFBDHO Cc1c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000420395936 477746115 /nfs/dbraw/zinc/74/61/15/477746115.db2.gz UVZWDAXHNCVFJS-AEFFLSMTSA-N 1 3 333.432 2.622 20 5 EFBDHO CN(CCOCC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600774608 478513414 /nfs/dbraw/zinc/51/34/14/478513414.db2.gz RSHUWOTUYLSNFA-UHFFFAOYSA-N 1 3 335.429 2.730 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582250 478585655 /nfs/dbraw/zinc/58/56/55/478585655.db2.gz AKQRRKBWNPLELG-DZGCQCFKSA-N 1 3 346.431 2.576 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591582250 478585664 /nfs/dbraw/zinc/58/56/64/478585664.db2.gz AKQRRKBWNPLELG-DZGCQCFKSA-N 1 3 346.431 2.576 20 5 EFBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCNC3(CCC3)C2)n1 ZINC000591582600 478587159 /nfs/dbraw/zinc/58/71/59/478587159.db2.gz NDJLWQTVQDLPRT-SOUVJXGZSA-N 1 3 333.436 2.539 20 5 EFBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000591582600 478587168 /nfs/dbraw/zinc/58/71/68/478587168.db2.gz NDJLWQTVQDLPRT-SOUVJXGZSA-N 1 3 333.436 2.539 20 5 EFBDHO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492617 478913454 /nfs/dbraw/zinc/91/34/54/478913454.db2.gz BWSAPWHULHNEOI-CVEARBPZSA-N 1 3 333.432 2.685 20 5 EFBDHO O=[N+]([O-])c1cccc(OCCN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000595901475 479058905 /nfs/dbraw/zinc/05/89/05/479058905.db2.gz WOOKTCDYCMXTKS-MRXNPFEDSA-N 1 3 333.432 2.685 20 5 EFBDHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000602019743 479141947 /nfs/dbraw/zinc/14/19/47/479141947.db2.gz HFSUYYLGZVWEHS-CYBMUJFWSA-N 1 3 327.388 2.573 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000599072197 479149150 /nfs/dbraw/zinc/14/91/50/479149150.db2.gz ZWWSWFPWBQCUSJ-HUUCEWRRSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599072197 479149155 /nfs/dbraw/zinc/14/91/55/479149155.db2.gz ZWWSWFPWBQCUSJ-HUUCEWRRSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599072197 479149159 /nfs/dbraw/zinc/14/91/59/479149159.db2.gz ZWWSWFPWBQCUSJ-HUUCEWRRSA-N 1 3 348.447 2.633 20 5 EFBDHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599070646 479149824 /nfs/dbraw/zinc/14/98/24/479149824.db2.gz MUOQBDQHHDXZRD-OAGGEKHMSA-N 1 3 335.452 2.597 20 5 EFBDHO C[NH+]1CCC(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602545905 479391325 /nfs/dbraw/zinc/39/13/25/479391325.db2.gz RLGPQGVQXRBEIH-UHFFFAOYSA-N 1 3 348.266 2.850 20 5 EFBDHO Cc1c(NC(=O)CCN2CCC[C@@H](C)[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000593730803 479436451 /nfs/dbraw/zinc/43/64/51/479436451.db2.gz GZBUFZHKDCRQPZ-CZUORRHYSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CCN)cccc1[N+](=O)[O-] ZINC000593730803 479436457 /nfs/dbraw/zinc/43/64/57/479436457.db2.gz GZBUFZHKDCRQPZ-CZUORRHYSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@H]2CCN)cccc1[N+](=O)[O-] ZINC000593730803 479436464 /nfs/dbraw/zinc/43/64/64/479436464.db2.gz GZBUFZHKDCRQPZ-CZUORRHYSA-N 1 3 348.447 2.681 20 5 EFBDHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154272664 529145232 /nfs/dbraw/zinc/14/52/32/529145232.db2.gz RDOCVBJTPLOYJY-MRXNPFEDSA-N 1 3 334.464 2.581 20 5 EFBDHO [NH3+]C1(Cc2cccc(F)c2)CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997549 1272575261 /nfs/dbraw/zinc/57/52/61/1272575261.db2.gz DEFGDHJFPKIPNW-DOTOQJQBSA-N 1 3 335.423 2.607 20 5 EFBDHO COc1ccc(C[C@H](C)N[C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317704 1279012493 /nfs/dbraw/zinc/01/24/93/1279012493.db2.gz JRFFLKPJJPCFLH-HOCLYGCPSA-N 1 3 335.448 2.854 20 5 EFBDHO COc1ccc(C[C@H](C)N[C@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317704 1279012498 /nfs/dbraw/zinc/01/24/98/1279012498.db2.gz JRFFLKPJJPCFLH-HOCLYGCPSA-N 1 3 335.448 2.854 20 5 EFBDHO CC(C)N1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000809735312 1282414263 /nfs/dbraw/zinc/41/42/63/1282414263.db2.gz AOBNJZIEWFOSIB-MRXNPFEDSA-N 1 3 346.475 2.884 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC[C@@H]2CCC[N@@H+]2C)c1F ZINC001173189274 1286457937 /nfs/dbraw/zinc/45/79/37/1286457937.db2.gz NXZBJOAZSRUNCI-OLZOCXBDSA-N 1 3 339.411 2.747 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC[C@@H]2CCC[N@H+]2C)c1F ZINC001173189274 1286457942 /nfs/dbraw/zinc/45/79/42/1286457942.db2.gz NXZBJOAZSRUNCI-OLZOCXBDSA-N 1 3 339.411 2.747 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@@H]2CCCN2C)c1F ZINC001173189274 1286457949 /nfs/dbraw/zinc/45/79/49/1286457949.db2.gz NXZBJOAZSRUNCI-OLZOCXBDSA-N 1 3 339.411 2.747 20 5 EFBDHO CC[N@H+](CCCN(C)C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193068 1286459386 /nfs/dbraw/zinc/45/93/86/1286459386.db2.gz PBZDWIBDXAPIKO-CYBMUJFWSA-N 1 3 341.427 2.947 20 5 EFBDHO CC[N@@H+](CCCN(C)C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193068 1286459391 /nfs/dbraw/zinc/45/93/91/1286459391.db2.gz PBZDWIBDXAPIKO-CYBMUJFWSA-N 1 3 341.427 2.947 20 5 EFBDHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873043027 1289537088 /nfs/dbraw/zinc/53/70/88/1289537088.db2.gz KMZMNPOOVLGNKH-HNNXBMFYSA-N 1 3 348.491 2.575 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2CC[C@H](C)[NH2+]C2)c1F ZINC001246102799 1314583782 /nfs/dbraw/zinc/58/37/82/1314583782.db2.gz XDLVWSFDXIAPGR-AVGNSLFASA-N 1 3 339.411 2.651 20 5 EFBDHO NC[C@@H]1CCCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246589257 1314651983 /nfs/dbraw/zinc/65/19/83/1314651983.db2.gz DRKZNSOBYSGLRF-HNNXBMFYSA-N 1 3 332.448 2.624 20 5 EFBDHO NC[C@@H]1CCCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246589257 1314651988 /nfs/dbraw/zinc/65/19/88/1314651988.db2.gz DRKZNSOBYSGLRF-HNNXBMFYSA-N 1 3 332.448 2.624 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(C1)CNCC[C@H]3F)CC2 ZINC001246693702 1314671681 /nfs/dbraw/zinc/67/16/81/1314671681.db2.gz QCUJALRUGXEOIC-BHIYHBOVSA-N 1 3 347.434 2.866 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@]3(C1)CNCC[C@H]3F)CC2 ZINC001246693702 1314671684 /nfs/dbraw/zinc/67/16/84/1314671684.db2.gz QCUJALRUGXEOIC-BHIYHBOVSA-N 1 3 347.434 2.866 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(C1)CNCC[C@H]3F)CC2 ZINC001246693705 1314672067 /nfs/dbraw/zinc/67/20/67/1314672067.db2.gz QCUJALRUGXEOIC-QRQLOZEOSA-N 1 3 347.434 2.866 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@]3(C1)CNCC[C@H]3F)CC2 ZINC001246693705 1314672070 /nfs/dbraw/zinc/67/20/70/1314672070.db2.gz QCUJALRUGXEOIC-QRQLOZEOSA-N 1 3 347.434 2.866 20 5 EFBDHO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC3(CC2)[NH2+]CCc2ccccc23)C1 ZINC001247004750 1314729143 /nfs/dbraw/zinc/72/91/43/1314729143.db2.gz NZCAXCOEROYXCM-WBVHZDCISA-N 1 3 329.444 2.569 20 5 EFBDHO CN1CCC[C@H]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466629 1315707089 /nfs/dbraw/zinc/70/70/89/1315707089.db2.gz IYFVHNGXSVXPLH-INIZCTEOSA-N 1 3 332.448 2.638 20 5 EFBDHO CN1CCC[C@@H]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466630 1315707198 /nfs/dbraw/zinc/70/71/98/1315707198.db2.gz IYFVHNGXSVXPLH-MRXNPFEDSA-N 1 3 332.448 2.638 20 5 EFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001254544357 1315721701 /nfs/dbraw/zinc/72/17/01/1315721701.db2.gz JEBJYYKAQJEMRP-SZMVWBNQSA-N 1 3 347.459 2.759 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC3CCC3)CC1)C2 ZINC001254587418 1315727955 /nfs/dbraw/zinc/72/79/55/1315727955.db2.gz XCWBFGLRTRLTSE-SFHVURJKSA-N 1 3 329.444 2.916 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H](NC1CC[NH+](CC3CCC3)CC1)C2 ZINC001254587418 1315727959 /nfs/dbraw/zinc/72/79/59/1315727959.db2.gz XCWBFGLRTRLTSE-SFHVURJKSA-N 1 3 329.444 2.916 20 5 EFBDHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072305208 216142938 /nfs/dbraw/zinc/14/29/38/216142938.db2.gz CDOSTTPFXZXHFO-MRXNPFEDSA-N 1 3 348.447 2.730 20 5 EFBDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072305208 216142940 /nfs/dbraw/zinc/14/29/40/216142940.db2.gz CDOSTTPFXZXHFO-MRXNPFEDSA-N 1 3 348.447 2.730 20 5 EFBDHO Cc1ccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000191609275 239208389 /nfs/dbraw/zinc/20/83/89/239208389.db2.gz SHFNOFSSDYOUTB-KRWDZBQOSA-N 1 3 348.491 2.970 20 5 EFBDHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192670584 240057004 /nfs/dbraw/zinc/05/70/04/240057004.db2.gz NWEUXLGLMKSUBY-KXBFYZLASA-N 1 3 346.475 2.588 20 5 EFBDHO C[C@@H]([NH3+])C1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435376953 248232248 /nfs/dbraw/zinc/23/22/48/248232248.db2.gz WPTRGRYHLAFCDJ-CYBMUJFWSA-N 1 3 343.431 2.555 20 5 EFBDHO O=[N+]([O-])c1ccc(CCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422919454 285110405 /nfs/dbraw/zinc/11/04/05/285110405.db2.gz KBOUPVWJUKAFCB-CEXWTWQISA-N 1 3 347.459 2.664 20 5 EFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000344870793 533408537 /nfs/dbraw/zinc/40/85/37/533408537.db2.gz XYYHISQTUABXGR-OUQXZNHLSA-N 1 3 347.459 2.681 20 5 EFBDHO CCOCCC[N@@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344091497 145365757 /nfs/dbraw/zinc/36/57/57/145365757.db2.gz NMZPIYZILKUQMX-AEFFLSMTSA-N 1 3 349.475 2.864 20 5 EFBDHO CCOCCC[N@H+]1CC[C@H](NCCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344091497 145365758 /nfs/dbraw/zinc/36/57/58/145365758.db2.gz NMZPIYZILKUQMX-AEFFLSMTSA-N 1 3 349.475 2.864 20 5 EFBDHO Cc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000160205311 225359674 /nfs/dbraw/zinc/35/96/74/225359674.db2.gz KCZFUDUJLOGBQP-HNNXBMFYSA-N 1 3 334.464 2.580 20 5 EFBDHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271559989 266008271 /nfs/dbraw/zinc/00/82/71/266008271.db2.gz WNHVNCAPXHSQIE-FNHZYXHNSA-N 1 3 347.459 2.932 20 5 EFBDHO COc1ccc([N+](=O)[O-])cc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000298534951 311000536 /nfs/dbraw/zinc/00/05/36/311000536.db2.gz SKELOASNDRLBEU-UHFFFAOYSA-N 1 3 342.399 2.757 20 5 EFBDHO COc1cc(C[NH2+][C@H](C)CN)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000414937816 312067179 /nfs/dbraw/zinc/06/71/79/312067179.db2.gz XJKPLAVWRBTRLC-CYBMUJFWSA-N 1 3 345.399 2.619 20 5 EFBDHO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000578668646 320228484 /nfs/dbraw/zinc/22/84/84/320228484.db2.gz JUXYMKAQAUKAAI-YTQUADARSA-N 1 3 345.443 2.550 20 5 EFBDHO Cc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154376409 472425021 /nfs/dbraw/zinc/42/50/21/472425021.db2.gz WGOYTTZNPOSCSW-INIZCTEOSA-N 1 3 334.464 2.581 20 5 EFBDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000155650934 472588230 /nfs/dbraw/zinc/58/82/30/472588230.db2.gz QKNOTUWWZQGYRE-GOEBONIOSA-N 1 3 334.464 2.580 20 5 EFBDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155649980 472588547 /nfs/dbraw/zinc/58/85/47/472588547.db2.gz HUJZAMPXLQMWIS-JKSUJKDBSA-N 1 3 334.464 2.580 20 5 EFBDHO CC(C)c1ccc(CNCCC[N@@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000105476763 472754885 /nfs/dbraw/zinc/75/48/85/472754885.db2.gz WWLLLOBVYZOKBO-UHFFFAOYSA-N 1 3 348.491 2.835 20 5 EFBDHO CC(C)c1ccc(CNCCC[N@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000105476763 472754890 /nfs/dbraw/zinc/75/48/90/472754890.db2.gz WWLLLOBVYZOKBO-UHFFFAOYSA-N 1 3 348.491 2.835 20 5 EFBDHO CC[NH+](CC)CCOC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075007818 473110954 /nfs/dbraw/zinc/11/09/54/473110954.db2.gz KAOPTVOCOSWJJP-UHFFFAOYSA-N 1 3 349.475 2.960 20 5 EFBDHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192665700 473703728 /nfs/dbraw/zinc/70/37/28/473703728.db2.gz RSDXQAQVJWSYMK-LJQANCHMSA-N 1 3 346.475 2.589 20 5 EFBDHO Cc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000237503981 474418843 /nfs/dbraw/zinc/41/88/43/474418843.db2.gz SPGOIXBZRHKBGY-HZPDHXFCSA-N 1 3 335.448 2.882 20 5 EFBDHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271500818 474572830 /nfs/dbraw/zinc/57/28/30/474572830.db2.gz MABKIIWFLQPAFO-MORSLUCNSA-N 1 3 333.432 2.623 20 5 EFBDHO Cc1c(NC(=O)CC[N@H+](C)CCCN2CCCC2)cccc1[N+](=O)[O-] ZINC000281219816 475122366 /nfs/dbraw/zinc/12/23/66/475122366.db2.gz DTMWFZFVKGNPLF-UHFFFAOYSA-N 1 3 348.447 2.650 20 5 EFBDHO Cc1c(NC(=O)CC[N@@H+](C)CCCN2CCCC2)cccc1[N+](=O)[O-] ZINC000281219816 475122374 /nfs/dbraw/zinc/12/23/74/475122374.db2.gz DTMWFZFVKGNPLF-UHFFFAOYSA-N 1 3 348.447 2.650 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360038723 476285541 /nfs/dbraw/zinc/28/55/41/476285541.db2.gz ICTWJTSLXBMIKD-KBMXLJTQSA-N 1 3 346.431 2.528 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360038723 476285546 /nfs/dbraw/zinc/28/55/46/476285546.db2.gz ICTWJTSLXBMIKD-KBMXLJTQSA-N 1 3 346.431 2.528 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422632642 476724010 /nfs/dbraw/zinc/72/40/10/476724010.db2.gz HCSRRBKHEMRZEX-KFWWJZLASA-N 1 3 348.447 2.537 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422632643 476724388 /nfs/dbraw/zinc/72/43/88/476724388.db2.gz HCSRRBKHEMRZEX-KKUMJFAQSA-N 1 3 348.447 2.537 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641305 476727736 /nfs/dbraw/zinc/72/77/36/476727736.db2.gz XMWUEHWLYXGIGM-SNPRPXQTSA-N 1 3 348.447 2.537 20 5 EFBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422641303 476728367 /nfs/dbraw/zinc/72/83/67/476728367.db2.gz XMWUEHWLYXGIGM-CFVMTHIKSA-N 1 3 348.447 2.537 20 5 EFBDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000411303090 477188429 /nfs/dbraw/zinc/18/84/29/477188429.db2.gz GHWXJFJSNHMOGQ-WMLDXEAASA-N 1 3 348.447 2.728 20 5 EFBDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000411303090 477188435 /nfs/dbraw/zinc/18/84/35/477188435.db2.gz GHWXJFJSNHMOGQ-WMLDXEAASA-N 1 3 348.447 2.728 20 5 EFBDHO C[NH+]1CCC2(CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000367198474 477388113 /nfs/dbraw/zinc/38/81/13/477388113.db2.gz CDHIHACJOIAOEN-UHFFFAOYSA-N 1 3 333.432 2.781 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C[NH3+])C1CCCCC1 ZINC000420380227 477734500 /nfs/dbraw/zinc/73/45/00/477734500.db2.gz YFQBHCPJKUIDMC-QGZVFWFLSA-N 1 3 348.447 2.729 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420379748 477734881 /nfs/dbraw/zinc/73/48/81/477734881.db2.gz NJZZDCQTBZKHDF-SKDZVZGDSA-N 1 3 333.432 2.874 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420397576 477747463 /nfs/dbraw/zinc/74/74/63/477747463.db2.gz XOADOEGWRCZYQI-SIIHOXLZSA-N 1 3 333.432 2.874 20 5 EFBDHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000562988285 478404585 /nfs/dbraw/zinc/40/45/85/478404585.db2.gz XLRUHKLADOHOLR-HNNXBMFYSA-N 1 3 348.447 2.633 20 5 EFBDHO CC(C)[N@H+]1CCC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000562988285 478404593 /nfs/dbraw/zinc/40/45/93/478404593.db2.gz XLRUHKLADOHOLR-HNNXBMFYSA-N 1 3 348.447 2.633 20 5 EFBDHO CC(C)N1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000562988285 478404601 /nfs/dbraw/zinc/40/46/01/478404601.db2.gz XLRUHKLADOHOLR-HNNXBMFYSA-N 1 3 348.447 2.633 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282688 478508908 /nfs/dbraw/zinc/50/89/08/478508908.db2.gz QEWLDJURWXBRBD-HIFRSBDPSA-N 1 3 346.431 2.576 20 5 EFBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591282688 478508915 /nfs/dbraw/zinc/50/89/15/478508915.db2.gz QEWLDJURWXBRBD-HIFRSBDPSA-N 1 3 346.431 2.576 20 5 EFBDHO CN(CCOCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000600775177 478514664 /nfs/dbraw/zinc/51/46/64/478514664.db2.gz LNCPRYKLPFDLOV-UHFFFAOYSA-N 1 3 335.429 2.730 20 5 EFBDHO COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000595000075 478623368 /nfs/dbraw/zinc/62/33/68/478623368.db2.gz BQZCCIXTEPPVRX-UHFFFAOYSA-N 1 3 349.431 2.521 20 5 EFBDHO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492574 478913076 /nfs/dbraw/zinc/91/30/76/478913076.db2.gz AVDHZQCHPPGFNA-LSDHHAIUSA-N 1 3 333.432 2.815 20 5 EFBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314699 479289959 /nfs/dbraw/zinc/28/99/59/479289959.db2.gz FYNMSUIBBRAYKV-QRCIEHSWSA-N 1 3 345.443 2.826 20 5 EFBDHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CN1CCCCC1 ZINC000618565407 479494338 /nfs/dbraw/zinc/49/43/38/479494338.db2.gz XPSUZHHWYZCZCO-IXDOHACOSA-N 1 3 349.479 2.987 20 5 EFBDHO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435613633 535705431 /nfs/dbraw/zinc/70/54/31/535705431.db2.gz BRVYDHLKLKOVRO-HNNXBMFYSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCNCC1 ZINC000435613633 535705434 /nfs/dbraw/zinc/70/54/34/535705434.db2.gz BRVYDHLKLKOVRO-HNNXBMFYSA-N 1 3 348.447 2.696 20 5 EFBDHO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCNCC1 ZINC000435613633 535705440 /nfs/dbraw/zinc/70/54/40/535705440.db2.gz BRVYDHLKLKOVRO-HNNXBMFYSA-N 1 3 348.447 2.696 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000765040645 576539526 /nfs/dbraw/zinc/53/95/26/576539526.db2.gz XDJBDPMDUKZKPW-VQIMIIECSA-N 1 3 344.459 2.780 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000765040645 576539529 /nfs/dbraw/zinc/53/95/29/576539529.db2.gz XDJBDPMDUKZKPW-VQIMIIECSA-N 1 3 344.459 2.780 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000765040645 576539532 /nfs/dbraw/zinc/53/95/32/576539532.db2.gz XDJBDPMDUKZKPW-VQIMIIECSA-N 1 3 344.459 2.780 20 5 EFBDHO COc1ccc(C[C@H](C)[N@H+](C)CCCN2CCCC2)c([N+](=O)[O-])c1 ZINC001170344396 1279049142 /nfs/dbraw/zinc/04/91/42/1279049142.db2.gz BQCKDBIJURBZSL-HNNXBMFYSA-N 1 3 335.448 2.952 20 5 EFBDHO COc1ccc(C[C@H](C)[N@@H+](C)CCCN2CCCC2)c([N+](=O)[O-])c1 ZINC001170344396 1279049150 /nfs/dbraw/zinc/04/91/50/1279049150.db2.gz BQCKDBIJURBZSL-HNNXBMFYSA-N 1 3 335.448 2.952 20 5 EFBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001173221983 1286475316 /nfs/dbraw/zinc/47/53/16/1286475316.db2.gz ROIIJBGHQOTTPY-CRAIPNDOSA-N 1 3 347.459 2.616 20 5 EFBDHO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001173221983 1286475319 /nfs/dbraw/zinc/47/53/19/1286475319.db2.gz ROIIJBGHQOTTPY-CRAIPNDOSA-N 1 3 347.459 2.616 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000866589404 1303699465 /nfs/dbraw/zinc/69/94/65/1303699465.db2.gz CTJSFZNYGITGSO-INIZCTEOSA-N 1 3 346.475 2.676 20 5 EFBDHO COc1ccc(C[C@@H](C)NC[C@@]2(C)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246103897 1314583548 /nfs/dbraw/zinc/58/35/48/1314583548.db2.gz UASVYQZZNWQSKN-KDOFPFPSSA-N 1 3 335.448 2.904 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2C[NH2+]CC[C@H]2C)c1F ZINC001246122605 1314585957 /nfs/dbraw/zinc/58/59/57/1314585957.db2.gz XTHMUTHNXDQCEK-FRRDWIJNSA-N 1 3 339.411 2.509 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(N)CCCCC2)c1F ZINC001246281057 1314605841 /nfs/dbraw/zinc/60/58/41/1314605841.db2.gz YWWNVVCIZMSWCT-LBPRGKRZSA-N 1 3 339.411 2.925 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C1CCC1)C1CNC1)CC2 ZINC001246519568 1314641595 /nfs/dbraw/zinc/64/15/95/1314641595.db2.gz SHLIKFMRCMOOJT-HKUYNNGSSA-N 1 3 329.444 2.820 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247017140 1314731447 /nfs/dbraw/zinc/73/14/47/1314731447.db2.gz ZWEUVOGIUOTLTP-LMMKCTJWSA-N 1 3 329.444 2.916 20 5 EFBDHO O=[N+]([O-])c1cc(Cl)ccc1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000892950812 719322632 /nfs/dbraw/zinc/32/26/32/719322632.db2.gz HACLHJROIRXNDH-HNNXBMFYSA-N 1 3 341.839 2.575 20 5 EFBDHO O=[N+]([O-])c1cc(Cl)ccc1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000892950812 719322634 /nfs/dbraw/zinc/32/26/34/719322634.db2.gz HACLHJROIRXNDH-HNNXBMFYSA-N 1 3 341.839 2.575 20 5 EFBDHO C[N@@H+]1CCC[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158645141 530064662 /nfs/dbraw/zinc/06/46/62/530064662.db2.gz IQIABLLSYBDPSM-YJBOKZPZSA-N 1 3 333.432 2.780 20 5 EFBDHO C[N@H+]1CCC[C@H]2CN(CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158645141 530064663 /nfs/dbraw/zinc/06/46/63/530064663.db2.gz IQIABLLSYBDPSM-YJBOKZPZSA-N 1 3 333.432 2.780 20 5 EFBDHO CN1CCC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158645141 530064664 /nfs/dbraw/zinc/06/46/64/530064664.db2.gz IQIABLLSYBDPSM-YJBOKZPZSA-N 1 3 333.432 2.780 20 5 EFBDHO CN1CCC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158645141 530064665 /nfs/dbraw/zinc/06/46/65/530064665.db2.gz IQIABLLSYBDPSM-YJBOKZPZSA-N 1 3 333.432 2.780 20 5 EFBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000344870791 533384003 /nfs/dbraw/zinc/38/40/03/533384003.db2.gz XYYHISQTUABXGR-LZOLKVDOSA-N 1 3 347.459 2.681 20 5 EFBDHO CC[NH+](CC)CCCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000182775336 141376060 /nfs/dbraw/zinc/37/60/60/141376060.db2.gz VYQLACCIOORSEZ-UHFFFAOYSA-N 1 3 337.468 2.625 20 5 EFBDHO CN(C/C=C\c1ccccc1[N+](=O)[O-])CCN(C)C1CC[NH+](C)CC1 ZINC000349062495 146045635 /nfs/dbraw/zinc/04/56/35/146045635.db2.gz MGVLGKARDYBASS-VURMDHGXSA-N 1 3 346.475 2.566 20 5 EFBDHO Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000271559993 266008135 /nfs/dbraw/zinc/00/81/35/266008135.db2.gz WNHVNCAPXHSQIE-POZUXBRTSA-N 1 3 347.459 2.932 20 5 EFBDHO Cc1c([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000271560173 266009590 /nfs/dbraw/zinc/00/95/90/266009590.db2.gz WQJDJEZRXCIXPM-GDIGMMSISA-N 1 3 347.459 2.932 20 5 EFBDHO CC1CC[NH+](CCCNCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000554527192 318320898 /nfs/dbraw/zinc/32/08/98/318320898.db2.gz AFKJXDFTWZVEIS-UHFFFAOYSA-N 1 3 348.447 2.635 20 5 EFBDHO CC1CCN(CCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000554527192 318320900 /nfs/dbraw/zinc/32/09/00/318320900.db2.gz AFKJXDFTWZVEIS-UHFFFAOYSA-N 1 3 348.447 2.635 20 5 EFBDHO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCN(C)CC1 ZINC000128698928 472485444 /nfs/dbraw/zinc/48/54/44/472485444.db2.gz KARGJHWNMKXGAU-QGZVFWFLSA-N 1 3 348.491 2.533 20 5 EFBDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155632526 472584139 /nfs/dbraw/zinc/58/41/39/472584139.db2.gz AFTKQVLWXCRGPQ-HOTGVXAUSA-N 1 3 334.464 2.580 20 5 EFBDHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000158971998 472986017 /nfs/dbraw/zinc/98/60/17/472986017.db2.gz KBBBXTFJUKQASM-MRXNPFEDSA-N 1 3 349.479 2.768 20 5 EFBDHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000158971998 472986026 /nfs/dbraw/zinc/98/60/26/472986026.db2.gz KBBBXTFJUKQASM-MRXNPFEDSA-N 1 3 349.479 2.768 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173319404 473805182 /nfs/dbraw/zinc/80/51/82/473805182.db2.gz YREZDGCIUVABMO-MRXNPFEDSA-N 1 3 334.464 2.663 20 5 EFBDHO Cc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000237668070 474454541 /nfs/dbraw/zinc/45/45/41/474454541.db2.gz SPGOIXBZRHKBGY-HOTGVXAUSA-N 1 3 335.448 2.882 20 5 EFBDHO [NH3+]CC[C@H]1CCCCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352503148 475359368 /nfs/dbraw/zinc/35/93/68/475359368.db2.gz CCUGYEIQAKDRBX-OAHLLOKOSA-N 1 3 344.415 2.996 20 5 EFBDHO CC[NH+](CC)CCO[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000350162102 476075492 /nfs/dbraw/zinc/07/54/92/476075492.db2.gz ZANRHTOOXGRGNC-SFHVURJKSA-N 1 3 335.448 2.570 20 5 EFBDHO CC[N@H+](CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)CC1CC1 ZINC000357074129 476208567 /nfs/dbraw/zinc/20/85/67/476208567.db2.gz FVSNNNZWMIQNDC-UHFFFAOYSA-N 1 3 349.479 2.625 20 5 EFBDHO CC[N@@H+](CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1)CC1CC1 ZINC000357074129 476208576 /nfs/dbraw/zinc/20/85/76/476208576.db2.gz FVSNNNZWMIQNDC-UHFFFAOYSA-N 1 3 349.479 2.625 20 5 EFBDHO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CN1CCCC1 ZINC000447591909 477019902 /nfs/dbraw/zinc/01/99/02/477019902.db2.gz GCDAUNURHOWSSP-HOTGVXAUSA-N 1 3 349.479 2.987 20 5 EFBDHO CC(C)(CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447591909 477019910 /nfs/dbraw/zinc/01/99/10/477019910.db2.gz GCDAUNURHOWSSP-HOTGVXAUSA-N 1 3 349.479 2.987 20 5 EFBDHO COc1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000366949869 477272366 /nfs/dbraw/zinc/27/23/66/477272366.db2.gz DONMGIWEWUITDD-UHFFFAOYSA-N 1 3 333.432 2.911 20 5 EFBDHO CCN1CCN(CCCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449077150 477424816 /nfs/dbraw/zinc/42/48/16/477424816.db2.gz JIMFRCWASQKKRY-KRWDZBQOSA-N 1 3 348.491 2.533 20 5 EFBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449159556 477462732 /nfs/dbraw/zinc/46/27/32/477462732.db2.gz HHJMAGLFXXHZAQ-HOTGVXAUSA-N 1 3 347.459 2.616 20 5 EFBDHO Cc1c(NC(=O)CCN[C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000420372241 477731242 /nfs/dbraw/zinc/73/12/42/477731242.db2.gz QDFPLFVTGHUUIU-MRXNPFEDSA-N 1 3 348.447 2.729 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420397570 477747490 /nfs/dbraw/zinc/74/74/90/477747490.db2.gz XOADOEGWRCZYQI-DDUZABMNSA-N 1 3 333.432 2.874 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282687 478508848 /nfs/dbraw/zinc/50/88/48/478508848.db2.gz QEWLDJURWXBRBD-DZGCQCFKSA-N 1 3 346.431 2.576 20 5 EFBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000591282687 478508859 /nfs/dbraw/zinc/50/88/59/478508859.db2.gz QEWLDJURWXBRBD-DZGCQCFKSA-N 1 3 346.431 2.576 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582253 478585554 /nfs/dbraw/zinc/58/55/54/478585554.db2.gz AKQRRKBWNPLELG-ZFWWWQNUSA-N 1 3 346.431 2.576 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591582253 478585562 /nfs/dbraw/zinc/58/55/62/478585562.db2.gz AKQRRKBWNPLELG-ZFWWWQNUSA-N 1 3 346.431 2.576 20 5 EFBDHO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492618 478913479 /nfs/dbraw/zinc/91/34/79/478913479.db2.gz BWSAPWHULHNEOI-HOTGVXAUSA-N 1 3 333.432 2.685 20 5 EFBDHO Cc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593315934 479289720 /nfs/dbraw/zinc/28/97/20/479289720.db2.gz MQTUESYXOCPDKU-BQFCYCMXSA-N 1 3 333.432 2.622 20 5 EFBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314698 479290328 /nfs/dbraw/zinc/29/03/28/479290328.db2.gz FYNMSUIBBRAYKV-HYRABZNWSA-N 1 3 345.443 2.826 20 5 EFBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736221 479438939 /nfs/dbraw/zinc/43/89/39/479438939.db2.gz JRZPYWFBEDSURK-LLDVTBCESA-N 1 3 333.432 2.874 20 5 EFBDHO CCCC[N@H+](C)CC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602768181 479538567 /nfs/dbraw/zinc/53/85/67/479538567.db2.gz XEPKIXYWPXPDSX-UHFFFAOYSA-N 1 3 337.468 2.544 20 5 EFBDHO CCCC[N@@H+](C)CC1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602768181 479538575 /nfs/dbraw/zinc/53/85/75/479538575.db2.gz XEPKIXYWPXPDSX-UHFFFAOYSA-N 1 3 337.468 2.544 20 5 EFBDHO O=[N+]([O-])c1ccc(CCN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602845971 479590613 /nfs/dbraw/zinc/59/06/13/479590613.db2.gz NWIUXHYVVRRVLC-UHFFFAOYSA-N 1 3 326.400 2.745 20 5 EFBDHO C[NH+]1CCC([C@H]2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000755779057 575632539 /nfs/dbraw/zinc/63/25/39/575632539.db2.gz PZMMPPBRWUZSCT-HNNXBMFYSA-N 1 3 343.431 2.566 20 5 EFBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC001168968166 1272559452 /nfs/dbraw/zinc/55/94/52/1272559452.db2.gz XEQHIDMICOIQKQ-LCWAXJCOSA-N 1 3 343.471 2.932 20 5 EFBDHO COc1ccc(C[C@H](C)N[C@H]2CC[N@H+](CC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319653 1279012782 /nfs/dbraw/zinc/01/27/82/1279012782.db2.gz XXVBOSLASOVXSB-YOEHRIQHSA-N 1 3 347.459 2.998 20 5 EFBDHO COc1ccc(C[C@H](C)N[C@H]2CC[N@@H+](CC3CCC3)C2)c([N+](=O)[O-])c1 ZINC001170319653 1279012792 /nfs/dbraw/zinc/01/27/92/1279012792.db2.gz XXVBOSLASOVXSB-YOEHRIQHSA-N 1 3 347.459 2.998 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(CCC[NH3+])C(C)C)c1F ZINC001173179872 1286454640 /nfs/dbraw/zinc/45/46/40/1286454640.db2.gz QTUIAPQPCZEJQK-LBPRGKRZSA-N 1 3 327.400 2.733 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC[C@H]2CCC[N@@H+]2C)c1F ZINC001173183831 1286456518 /nfs/dbraw/zinc/45/65/18/1286456518.db2.gz NXZBJOAZSRUNCI-CHWSQXEVSA-N 1 3 339.411 2.747 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC[C@H]2CCC[N@H+]2C)c1F ZINC001173183831 1286456524 /nfs/dbraw/zinc/45/65/24/1286456524.db2.gz NXZBJOAZSRUNCI-CHWSQXEVSA-N 1 3 339.411 2.747 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@H]2CCCN2C)c1F ZINC001173183831 1286456532 /nfs/dbraw/zinc/45/65/32/1286456532.db2.gz NXZBJOAZSRUNCI-CHWSQXEVSA-N 1 3 339.411 2.747 20 5 EFBDHO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](C1CCC1)C1CNC1)CC2 ZINC001246519577 1314641745 /nfs/dbraw/zinc/64/17/45/1314641745.db2.gz SHLIKFMRCMOOJT-PKOBYXMFSA-N 1 3 329.444 2.820 20 5 EFBDHO CN(C)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476624 1315707918 /nfs/dbraw/zinc/70/79/18/1315707918.db2.gz UKLBYDMNGNNWRC-UHFFFAOYSA-N 1 3 332.448 2.590 20 5 EFBDHO CC(C)(C)[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001335398441 1331343160 /nfs/dbraw/zinc/34/31/60/1331343160.db2.gz PNIYRDCUZNUXRK-CQSZACIVSA-N 1 3 348.447 2.633 20 5 EFBDHO CC(C)(C)[N@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001335398441 1331343166 /nfs/dbraw/zinc/34/31/66/1331343166.db2.gz PNIYRDCUZNUXRK-CQSZACIVSA-N 1 3 348.447 2.633 20 5 EFBDHO CC[NH+]1CCC(CC[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CC1 ZINC000893065774 719559066 /nfs/dbraw/zinc/55/90/66/719559066.db2.gz BVDHLBNZVODMGD-UHFFFAOYSA-N 1 3 337.420 2.521 20 5 EFBDHO CC[NH+]1CCC(CCNCc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000893065774 719559068 /nfs/dbraw/zinc/55/90/68/719559068.db2.gz BVDHLBNZVODMGD-UHFFFAOYSA-N 1 3 337.420 2.521 20 5 EFBDHO CCOCCC[N@@H+]1CC[C@@H](NCCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344091499 145365992 /nfs/dbraw/zinc/36/59/92/145365992.db2.gz NMZPIYZILKUQMX-SJLPKXTDSA-N 1 3 349.475 2.864 20 5 EFBDHO CCOCCC[N@H+]1CC[C@@H](NCCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344091499 145365995 /nfs/dbraw/zinc/36/59/95/145365995.db2.gz NMZPIYZILKUQMX-SJLPKXTDSA-N 1 3 349.475 2.864 20 5 EFBDHO C[NH+](C)C1CCN(CCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192931284 273792222 /nfs/dbraw/zinc/79/22/22/273792222.db2.gz LNKKISVXINQPCG-IBGZPJMESA-N 1 3 346.475 2.588 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150974563 473390540 /nfs/dbraw/zinc/39/05/40/473390540.db2.gz IYLLEFPXHHLLKK-OAHLLOKOSA-N 1 3 334.464 2.580 20 5 EFBDHO CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155668613 472591477 /nfs/dbraw/zinc/59/14/77/472591477.db2.gz VIKFPIXMPRQGOI-QAPCUYQASA-N 1 3 334.464 2.662 20 5 EFBDHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000158972161 472986461 /nfs/dbraw/zinc/98/64/61/472986461.db2.gz KBBBXTFJUKQASM-INIZCTEOSA-N 1 3 349.479 2.768 20 5 EFBDHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000158972161 472986466 /nfs/dbraw/zinc/98/64/66/472986466.db2.gz KBBBXTFJUKQASM-INIZCTEOSA-N 1 3 349.479 2.768 20 5 EFBDHO CN1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2C1 ZINC000194543921 473915687 /nfs/dbraw/zinc/91/56/87/473915687.db2.gz LUZLRFAQLILZKV-GASCZTMLSA-N 1 3 327.384 2.848 20 5 EFBDHO CN1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2C1 ZINC000194543921 473915694 /nfs/dbraw/zinc/91/56/94/473915694.db2.gz LUZLRFAQLILZKV-GASCZTMLSA-N 1 3 327.384 2.848 20 5 EFBDHO CN1CCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000282287101 474009464 /nfs/dbraw/zinc/00/94/64/474009464.db2.gz LKWRPMDYSMNCJV-SFHVURJKSA-N 1 3 346.475 2.588 20 5 EFBDHO Cc1cc(NCCN2CCCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000188489880 474109012 /nfs/dbraw/zinc/10/90/12/474109012.db2.gz UQLDYCZTUYXFDB-UHFFFAOYSA-N 1 3 330.388 2.586 20 5 EFBDHO Cc1cc(NCC[N@@H+]2CCCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000188489880 474109017 /nfs/dbraw/zinc/10/90/17/474109017.db2.gz UQLDYCZTUYXFDB-UHFFFAOYSA-N 1 3 330.388 2.586 20 5 EFBDHO Cc1cc(NCC[N@H+]2CCCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000188489880 474109021 /nfs/dbraw/zinc/10/90/21/474109021.db2.gz UQLDYCZTUYXFDB-UHFFFAOYSA-N 1 3 330.388 2.586 20 5 EFBDHO CSC1(CNCc2ccc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000353210451 475772599 /nfs/dbraw/zinc/77/25/99/475772599.db2.gz LZQKWWZODAYLNN-UHFFFAOYSA-N 1 3 327.425 2.651 20 5 EFBDHO Cc1c(NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430586336 476870896 /nfs/dbraw/zinc/87/08/96/476870896.db2.gz VZODTGLPOIBRTC-AWEZNQCLSA-N 1 3 336.436 2.537 20 5 EFBDHO CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000431077348 476973265 /nfs/dbraw/zinc/97/32/65/476973265.db2.gz NXAPPPLXYMTORA-UHFFFAOYSA-N 1 3 348.447 2.696 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423262595 476979408 /nfs/dbraw/zinc/97/94/08/476979408.db2.gz MVCBVYMADURQQF-GUYCJALGSA-N 1 3 348.447 2.809 20 5 EFBDHO CC1CCN(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518593 477001701 /nfs/dbraw/zinc/00/17/01/477001701.db2.gz OCBILSNGIVTKRB-DLBZAZTESA-N 1 3 349.479 2.987 20 5 EFBDHO CC1CC[NH+](CCCN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518593 477001705 /nfs/dbraw/zinc/00/17/05/477001705.db2.gz OCBILSNGIVTKRB-DLBZAZTESA-N 1 3 349.479 2.987 20 5 EFBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)CNC3)n1 ZINC000423369589 477008947 /nfs/dbraw/zinc/00/89/47/477008947.db2.gz FEXRHICNISKNIA-IRXDYDNUSA-N 1 3 341.415 2.668 20 5 EFBDHO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)CNC3)n1 ZINC000423369602 477009234 /nfs/dbraw/zinc/00/92/34/477009234.db2.gz FEXRHICNISKNIA-SJORKVTESA-N 1 3 341.415 2.668 20 5 EFBDHO NCCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000420309724 477682641 /nfs/dbraw/zinc/68/26/41/477682641.db2.gz FIDFZHDNNDXSSO-UHFFFAOYSA-N 1 3 348.447 2.764 20 5 EFBDHO NCCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000420309724 477682644 /nfs/dbraw/zinc/68/26/44/477682644.db2.gz FIDFZHDNNDXSSO-UHFFFAOYSA-N 1 3 348.447 2.764 20 5 EFBDHO [NH3+]CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000420309724 477682656 /nfs/dbraw/zinc/68/26/56/477682656.db2.gz FIDFZHDNNDXSSO-UHFFFAOYSA-N 1 3 348.447 2.764 20 5 EFBDHO COc1ccc([C@H](C[NH3+])CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000420378009 477732413 /nfs/dbraw/zinc/73/24/13/477732413.db2.gz UAOVQBOEURPGHJ-QGZVFWFLSA-N 1 3 343.427 2.820 20 5 EFBDHO COc1ccc([C@H](CN)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000420378009 477732424 /nfs/dbraw/zinc/73/24/24/477732424.db2.gz UAOVQBOEURPGHJ-QGZVFWFLSA-N 1 3 343.427 2.820 20 5 EFBDHO COc1ccc([C@H](CN)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000420378009 477732430 /nfs/dbraw/zinc/73/24/30/477732430.db2.gz UAOVQBOEURPGHJ-QGZVFWFLSA-N 1 3 343.427 2.820 20 5 EFBDHO C[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000420406787 477752697 /nfs/dbraw/zinc/75/26/97/477752697.db2.gz OABOVRRSVCXSBF-ZFWWWQNUSA-N 1 3 344.415 2.709 20 5 EFBDHO COc1cc(CNC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000421380277 478063188 /nfs/dbraw/zinc/06/31/88/478063188.db2.gz YDYWYFDNGGIUKG-UHFFFAOYSA-N 1 3 337.420 2.574 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000540161642 478465945 /nfs/dbraw/zinc/46/59/45/478465945.db2.gz YBLVMJZTHVURQS-ZOCIIQOWSA-N 1 3 347.459 2.932 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582251 478586106 /nfs/dbraw/zinc/58/61/06/478586106.db2.gz AKQRRKBWNPLELG-HIFRSBDPSA-N 1 3 346.431 2.576 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000591582251 478586116 /nfs/dbraw/zinc/58/61/16/478586116.db2.gz AKQRRKBWNPLELG-HIFRSBDPSA-N 1 3 346.431 2.576 20 5 EFBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCNC3(CCC3)C2)n1 ZINC000591582599 478587454 /nfs/dbraw/zinc/58/74/54/478587454.db2.gz NDJLWQTVQDLPRT-RRFJBIMHSA-N 1 3 333.436 2.539 20 5 EFBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000591582599 478587461 /nfs/dbraw/zinc/58/74/61/478587461.db2.gz NDJLWQTVQDLPRT-RRFJBIMHSA-N 1 3 333.436 2.539 20 5 EFBDHO O=[N+]([O-])c1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000594970302 478612149 /nfs/dbraw/zinc/61/21/49/478612149.db2.gz XPZCXCJFVIOBHU-UHFFFAOYSA-N 1 3 340.427 2.992 20 5 EFBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH3+])cc1 ZINC000564989382 478876540 /nfs/dbraw/zinc/87/65/40/478876540.db2.gz XWKUSQYPNNWSNF-CYBMUJFWSA-N 1 3 342.399 2.560 20 5 EFBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH3+])cc1 ZINC000564989385 478876741 /nfs/dbraw/zinc/87/67/41/478876741.db2.gz XWKUSQYPNNWSNF-ZDUSSCGKSA-N 1 3 342.399 2.560 20 5 EFBDHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433575 478893401 /nfs/dbraw/zinc/89/34/01/478893401.db2.gz DJQIEAAWQKRBKY-HOTGVXAUSA-N 1 3 333.432 2.815 20 5 EFBDHO CC(C)(CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000573318362 479037776 /nfs/dbraw/zinc/03/77/76/479037776.db2.gz XYSWYITWNSKCSH-UHFFFAOYSA-N 1 3 348.447 2.635 20 5 EFBDHO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000573318362 479037783 /nfs/dbraw/zinc/03/77/83/479037783.db2.gz XYSWYITWNSKCSH-UHFFFAOYSA-N 1 3 348.447 2.635 20 5 EFBDHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000602019744 479141752 /nfs/dbraw/zinc/14/17/52/479141752.db2.gz HFSUYYLGZVWEHS-ZDUSSCGKSA-N 1 3 327.388 2.573 20 5 EFBDHO [NH3+]Cc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000593324534 479296852 /nfs/dbraw/zinc/29/68/52/479296852.db2.gz WUFKGNKTCQFVSU-HOTGVXAUSA-N 1 3 347.394 2.663 20 5 EFBDHO Cc1c(NC(=O)CCN2CCC[C@H](C)[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000593730801 479436686 /nfs/dbraw/zinc/43/66/86/479436686.db2.gz GZBUFZHKDCRQPZ-BBRMVZONSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CCN)cccc1[N+](=O)[O-] ZINC000593730801 479436690 /nfs/dbraw/zinc/43/66/90/479436690.db2.gz GZBUFZHKDCRQPZ-BBRMVZONSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@@H]2CCN)cccc1[N+](=O)[O-] ZINC000593730801 479436695 /nfs/dbraw/zinc/43/66/95/479436695.db2.gz GZBUFZHKDCRQPZ-BBRMVZONSA-N 1 3 348.447 2.681 20 5 EFBDHO Cc1c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593739156 479440646 /nfs/dbraw/zinc/44/06/46/479440646.db2.gz YKUSXRFNIRDNIP-BQFCYCMXSA-N 1 3 333.432 2.622 20 5 EFBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCN(C)CC1 ZINC000615721232 479743734 /nfs/dbraw/zinc/74/37/34/479743734.db2.gz FUHCGLMXSCMPKB-SAPNQHFASA-N 1 3 346.475 2.615 20 5 EFBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154385789 500979449 /nfs/dbraw/zinc/97/94/49/500979449.db2.gz ZCNDJXCIJLZCHM-INIZCTEOSA-N 1 3 334.464 2.581 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000765040643 576539772 /nfs/dbraw/zinc/53/97/72/576539772.db2.gz XDJBDPMDUKZKPW-QFBILLFUSA-N 1 3 344.459 2.780 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000765040643 576539774 /nfs/dbraw/zinc/53/97/74/576539774.db2.gz XDJBDPMDUKZKPW-QFBILLFUSA-N 1 3 344.459 2.780 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000765040643 576539777 /nfs/dbraw/zinc/53/97/77/576539777.db2.gz XDJBDPMDUKZKPW-QFBILLFUSA-N 1 3 344.459 2.780 20 5 EFBDHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809788795 1282489063 /nfs/dbraw/zinc/48/90/63/1282489063.db2.gz WFONRTUBKQOXPN-UHFFFAOYSA-N 1 3 342.871 2.564 20 5 EFBDHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809788795 1282489077 /nfs/dbraw/zinc/48/90/77/1282489077.db2.gz WFONRTUBKQOXPN-UHFFFAOYSA-N 1 3 342.871 2.564 20 5 EFBDHO COCCC1([NH3+])CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905333 1286309131 /nfs/dbraw/zinc/30/91/31/1286309131.db2.gz IZKUZQPLVCMYDX-QGZVFWFLSA-N 1 3 347.459 2.672 20 5 EFBDHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172910157 1286352029 /nfs/dbraw/zinc/35/20/29/1286352029.db2.gz WTRCZFIKXHMRJC-SQNIBIBYSA-N 1 3 329.444 2.726 20 5 EFBDHO CN1CC[C@@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172910157 1286352034 /nfs/dbraw/zinc/35/20/34/1286352034.db2.gz WTRCZFIKXHMRJC-SQNIBIBYSA-N 1 3 329.444 2.726 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCCC[NH+]2CCCC2)c1F ZINC001173175430 1286451098 /nfs/dbraw/zinc/45/10/98/1286451098.db2.gz NEPPILOPRKTFTR-ZDUSSCGKSA-N 1 3 339.411 2.749 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCN2CCCC2)c1F ZINC001173175430 1286451102 /nfs/dbraw/zinc/45/11/02/1286451102.db2.gz NEPPILOPRKTFTR-ZDUSSCGKSA-N 1 3 339.411 2.749 20 5 EFBDHO CCCN(CCC[NH3+])[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180028 1286455225 /nfs/dbraw/zinc/45/52/25/1286455225.db2.gz SEUFJFRJEZHIHF-GFCCVEGCSA-N 1 3 327.400 2.734 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC[C@H]2CCC[N@@H+]2C)c1F ZINC001173183833 1286456827 /nfs/dbraw/zinc/45/68/27/1286456827.db2.gz NXZBJOAZSRUNCI-QWHCGFSZSA-N 1 3 339.411 2.747 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC[C@H]2CCC[N@H+]2C)c1F ZINC001173183833 1286456836 /nfs/dbraw/zinc/45/68/36/1286456836.db2.gz NXZBJOAZSRUNCI-QWHCGFSZSA-N 1 3 339.411 2.747 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@H]2CCCN2C)c1F ZINC001173183833 1286456838 /nfs/dbraw/zinc/45/68/38/1286456838.db2.gz NXZBJOAZSRUNCI-QWHCGFSZSA-N 1 3 339.411 2.747 20 5 EFBDHO CC(C)P(CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(C)C ZINC001162363300 1312094648 /nfs/dbraw/zinc/09/46/48/1312094648.db2.gz GVESYFUBGUWUTM-UHFFFAOYSA-N 1 3 339.380 2.782 20 5 EFBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(N)CCCC2)c1F ZINC001246074470 1314580202 /nfs/dbraw/zinc/58/02/02/1314580202.db2.gz DFSMVOPGKPDQMI-NSHDSACASA-N 1 3 325.384 2.535 20 5 EFBDHO COc1ccc(C[C@@H](C)NC[C@]2(C)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246103910 1314583287 /nfs/dbraw/zinc/58/32/87/1314583287.db2.gz UASVYQZZNWQSKN-RDTXWAMCSA-N 1 3 335.448 2.904 20 5 EFBDHO O=[N+]([O-])c1ccc(N2CCC(N3CC[C@H]4[NH2+]CCC[C@@H]4C3)CC2)cc1 ZINC001247016414 1314731368 /nfs/dbraw/zinc/73/13/68/1314731368.db2.gz UXTBZYXKSXKIHP-DNVCBOLYSA-N 1 3 344.459 2.638 20 5 EFBDHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893366069 721033720 /nfs/dbraw/zinc/03/37/20/721033720.db2.gz ALLYLAPOVLSTLG-AWEZNQCLSA-N 1 3 329.828 2.695 20 5 EFBDHO