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](C[NH2+]Cc1nc2c(s1)C[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC001576033903 1088868850 /nfs/dbraw/zinc/86/88/50/1088868850.db2.gz XRWIYPFOJGUJQV-LLVKDONJSA-N 2 0 332.429 2.590 20 5 EFBDRP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C1CC1 ZINC000131166828 1119912630 /nfs/dbraw/zinc/91/26/30/1119912630.db2.gz WOYZCAJPZALDIQ-AWEZNQCLSA-N 2 0 332.448 2.636 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000128359959 205144162 /nfs/dbraw/zinc/14/41/62/205144162.db2.gz UMQBPCJHGMJKLZ-MRXNPFEDSA-N 2 0 334.464 2.581 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000132478048 205326812 /nfs/dbraw/zinc/32/68/12/205326812.db2.gz ZEKKRNOLKNXTFF-APWZRJJASA-N 2 0 348.491 2.826 20 5 EFBDRP [NH3+]CC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000435390557 248235669 /nfs/dbraw/zinc/23/56/69/248235669.db2.gz BMBMIOVUAOBFAX-UHFFFAOYSA-N 2 0 332.429 2.889 20 5 EFBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000449747860 251140344 /nfs/dbraw/zinc/14/03/44/251140344.db2.gz YLOBGUHMWWXCLZ-CLFYSBASSA-N 2 0 346.475 2.614 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000152379565 285161502 /nfs/dbraw/zinc/16/15/02/285161502.db2.gz VGPICFZJCFPEGM-RDTXWAMCSA-N 2 0 329.444 2.990 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344091498 145365869 /nfs/dbraw/zinc/36/58/69/145365869.db2.gz NMZPIYZILKUQMX-FUHWJXTLSA-N 2 0 349.475 2.864 20 5 EFBDRP Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340769770 164562069 /nfs/dbraw/zinc/56/20/69/164562069.db2.gz DACNKSPFJDNELD-KRWDZBQOSA-N 2 0 346.456 2.723 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277385581 267169168 /nfs/dbraw/zinc/16/91/68/267169168.db2.gz YNNOOLPXVCDBIA-HNNXBMFYSA-N 2 0 348.447 2.648 20 5 EFBDRP C[C@@H]1C[N@H+](CCC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000277646460 267221266 /nfs/dbraw/zinc/22/12/66/267221266.db2.gz DIJIXXAEZJSSGB-KZJSRBBCSA-N 2 0 333.432 2.699 20 5 EFBDRP C[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000279139879 273181202 /nfs/dbraw/zinc/18/12/02/273181202.db2.gz RVSAWCGKKIOKPT-KDOFPFPSSA-N 2 0 346.475 2.543 20 5 EFBDRP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414952845 274052757 /nfs/dbraw/zinc/05/27/57/274052757.db2.gz ISIFZXTUOHRAIQ-KVSKMBFKSA-N 2 0 347.459 2.664 20 5 EFBDRP COC[C@]1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414952842 277269625 /nfs/dbraw/zinc/26/96/25/277269625.db2.gz ISIFZXTUOHRAIQ-HHXXYDBFSA-N 2 0 347.459 2.664 20 5 EFBDRP CC(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000414788015 278036763 /nfs/dbraw/zinc/03/67/63/278036763.db2.gz MMSHGHKWRRDEMT-MRXNPFEDSA-N 2 0 347.459 2.906 20 5 EFBDRP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351502204 278805490 /nfs/dbraw/zinc/80/54/90/278805490.db2.gz KRPSXJVTTWAEHY-JKSUJKDBSA-N 2 0 335.452 2.739 20 5 EFBDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000160732702 280186586 /nfs/dbraw/zinc/18/65/86/280186586.db2.gz LSFUYZMKFXIRAQ-QZTJIDSGSA-N 2 0 335.448 2.872 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344020099 281020675 /nfs/dbraw/zinc/02/06/75/281020675.db2.gz GKSYWRDSSCTNNS-INIZCTEOSA-N 2 0 336.480 2.780 20 5 EFBDRP C[NH+](C)CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447596788 282074952 /nfs/dbraw/zinc/07/49/52/282074952.db2.gz DILHWGNGQCBWJU-JKSUJKDBSA-N 2 0 349.479 2.987 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128400671 293101509 /nfs/dbraw/zinc/10/15/09/293101509.db2.gz CDRSWCGJAPSIDJ-MRXNPFEDSA-N 2 0 334.464 2.581 20 5 EFBDRP COC[C@]1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414952852 293295695 /nfs/dbraw/zinc/29/56/95/293295695.db2.gz ISIFZXTUOHRAIQ-VDZJLULYSA-N 2 0 347.459 2.664 20 5 EFBDRP C[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331723084 311412573 /nfs/dbraw/zinc/41/25/73/311412573.db2.gz KTQQMRNGYCKTEY-JKSUJKDBSA-N 2 0 335.452 2.597 20 5 EFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414835619 312056266 /nfs/dbraw/zinc/05/62/66/312056266.db2.gz DNEMDVIEGXDLCW-ZDUSSCGKSA-N 2 0 334.420 2.563 20 5 EFBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417300772 312205911 /nfs/dbraw/zinc/20/59/11/312205911.db2.gz AYURKIZIGCGUIP-BEFAXECRSA-N 2 0 346.475 2.588 20 5 EFBDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417302426 312206067 /nfs/dbraw/zinc/20/60/67/312206067.db2.gz BJHVFVMVKCROGT-IBGZPJMESA-N 2 0 346.475 2.589 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000546018346 317950031 /nfs/dbraw/zinc/95/00/31/317950031.db2.gz WGHIAQPTYHQGCC-HOTGVXAUSA-N 2 0 334.464 2.580 20 5 EFBDRP CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000556684239 318398595 /nfs/dbraw/zinc/39/85/95/318398595.db2.gz XHVYALZEMWYPHT-HOTGVXAUSA-N 2 0 335.452 2.597 20 5 EFBDRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000556684240 318398639 /nfs/dbraw/zinc/39/86/39/318398639.db2.gz XHVYALZEMWYPHT-HZPDHXFCSA-N 2 0 335.452 2.597 20 5 EFBDRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000124439900 473246368 /nfs/dbraw/zinc/24/63/68/473246368.db2.gz BUEVXDUYIUBPLJ-INIZCTEOSA-N 2 0 348.491 2.827 20 5 EFBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154272205 472408551 /nfs/dbraw/zinc/40/85/51/472408551.db2.gz VXGFYCXZVXWTAT-MRXNPFEDSA-N 2 0 334.464 2.581 20 5 EFBDRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154395389 472426499 /nfs/dbraw/zinc/42/64/99/472426499.db2.gz IEQZWRAAWIVBLC-SFHVURJKSA-N 2 0 334.464 2.663 20 5 EFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155649743 472588400 /nfs/dbraw/zinc/58/84/00/472588400.db2.gz HUJZAMPXLQMWIS-HOTGVXAUSA-N 2 0 334.464 2.580 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000121216656 472817985 /nfs/dbraw/zinc/81/79/85/472817985.db2.gz DRTQSCAKUPPCQO-WBVHZDCISA-N 2 0 348.491 2.827 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000121216981 472818385 /nfs/dbraw/zinc/81/83/85/472818385.db2.gz DRTQSCAKUPPCQO-NVXWUHKLSA-N 2 0 348.491 2.827 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)C1CC1 ZINC000157626454 472841209 /nfs/dbraw/zinc/84/12/09/472841209.db2.gz GSAMGQGXRXDYNU-MSOLQXFVSA-N 2 0 329.444 2.990 20 5 EFBDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000158928931 472980151 /nfs/dbraw/zinc/98/01/51/472980151.db2.gz RRAJGKCFRLNSLH-INIZCTEOSA-N 2 0 349.479 2.768 20 5 EFBDRP C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768218 473509554 /nfs/dbraw/zinc/50/95/54/473509554.db2.gz BDQAWZBWXVCKFU-QOKNQOGYSA-N 2 0 347.459 2.871 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186578277 473693444 /nfs/dbraw/zinc/69/34/44/473693444.db2.gz FRHBAXKXIBUOFA-HOTGVXAUSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000245517212 473714727 /nfs/dbraw/zinc/71/47/27/473714727.db2.gz GWEQRNSGQZEIMN-CVEARBPZSA-N 2 0 333.432 2.618 20 5 EFBDRP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194261404 473869248 /nfs/dbraw/zinc/86/92/48/473869248.db2.gz PVECRMDVGWULDS-RTBURBONSA-N 2 0 348.491 2.908 20 5 EFBDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000173783504 473929984 /nfs/dbraw/zinc/92/99/84/473929984.db2.gz OILKLKZHVUGBFH-HNNXBMFYSA-N 2 0 348.447 2.587 20 5 EFBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282504355 474090007 /nfs/dbraw/zinc/09/00/07/474090007.db2.gz YKOZFBOYGUYEIC-MRXNPFEDSA-N 2 0 348.491 2.532 20 5 EFBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000269082463 475166610 /nfs/dbraw/zinc/16/66/10/475166610.db2.gz OURIOILSGFOJAO-MSOLQXFVSA-N 2 0 349.475 2.862 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CCC[NH3+])CC1CCCC1 ZINC000352488778 475341840 /nfs/dbraw/zinc/34/18/40/475341840.db2.gz UNRXYWLZQGFFMU-UHFFFAOYSA-N 2 0 348.447 2.683 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000357076505 476210190 /nfs/dbraw/zinc/21/01/90/476210190.db2.gz JTRZXTIEVVSGMV-CYBMUJFWSA-N 2 0 330.388 2.558 20 5 EFBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000422640280 476727305 /nfs/dbraw/zinc/72/73/05/476727305.db2.gz VJASVBAULHKGKC-NFAWXSAZSA-N 2 0 348.447 2.537 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422641306 476728168 /nfs/dbraw/zinc/72/81/68/476728168.db2.gz XMWUEHWLYXGIGM-YUELXQCFSA-N 2 0 348.447 2.537 20 5 EFBDRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422942443 476857409 /nfs/dbraw/zinc/85/74/09/476857409.db2.gz KFKBFIOHBIDSNL-KGLIPLIRSA-N 2 0 349.431 2.567 20 5 EFBDRP Cc1c([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370635773 476907138 /nfs/dbraw/zinc/90/71/38/476907138.db2.gz PZQJMHSCQNFIJE-HOTGVXAUSA-N 2 0 346.475 2.722 20 5 EFBDRP C[NH2+]CC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430930008 476938844 /nfs/dbraw/zinc/93/88/44/476938844.db2.gz ZDLVFKACBDXRHF-UHFFFAOYSA-N 2 0 344.415 2.724 20 5 EFBDRP C[C@@H]([NH3+])C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430952076 476948111 /nfs/dbraw/zinc/94/81/11/476948111.db2.gz XQTWAMACZIVZQI-CYBMUJFWSA-N 2 0 344.415 2.852 20 5 EFBDRP CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC[NH2+]CC1 ZINC000431069461 476971539 /nfs/dbraw/zinc/97/15/39/476971539.db2.gz LWZOROBYIFGYCR-UHFFFAOYSA-N 2 0 348.447 2.696 20 5 EFBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541233 477008192 /nfs/dbraw/zinc/00/81/92/477008192.db2.gz FXIWSDIBOZEZNE-ZACQAIPSSA-N 2 0 349.479 2.985 20 5 EFBDRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447590461 477018609 /nfs/dbraw/zinc/01/86/09/477018609.db2.gz CSBVAMJJKIKQFO-SFHVURJKSA-N 2 0 335.448 2.920 20 5 EFBDRP C[N@H+](CCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000453388578 477219410 /nfs/dbraw/zinc/21/94/10/477219410.db2.gz BOHWEWOOKZPLQM-JKSUJKDBSA-N 2 0 335.452 2.739 20 5 EFBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367200258 477389661 /nfs/dbraw/zinc/38/96/61/477389661.db2.gz NOXXJHSMAFDLCP-UHFFFAOYSA-N 2 0 333.432 2.911 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420331973 477702169 /nfs/dbraw/zinc/70/21/69/477702169.db2.gz MZJOVRKHXMMHOU-XWIAVFTESA-N 2 0 333.432 2.792 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420397579 477746941 /nfs/dbraw/zinc/74/69/41/477746941.db2.gz XOADOEGWRCZYQI-XUWXXGDYSA-N 2 0 333.432 2.874 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000532506434 477938847 /nfs/dbraw/zinc/93/88/47/477938847.db2.gz YFYIZHGJSUNSAJ-WBVHZDCISA-N 2 0 335.448 2.791 20 5 EFBDRP CC(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000516965428 478025140 /nfs/dbraw/zinc/02/51/40/478025140.db2.gz USNWJUIRUKNTAF-UHFFFAOYSA-N 2 0 348.447 2.633 20 5 EFBDRP CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592427599 478891880 /nfs/dbraw/zinc/89/18/80/478891880.db2.gz HAFXTAZYPAISMA-DYVFJYSZSA-N 2 0 343.431 2.555 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000592492834 478914266 /nfs/dbraw/zinc/91/42/66/478914266.db2.gz DKDNIZWJMDIHLP-KGLIPLIRSA-N 2 0 344.415 2.948 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000546018345 478997499 /nfs/dbraw/zinc/99/74/99/478997499.db2.gz WGHIAQPTYHQGCC-CVEARBPZSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000610817553 479196600 /nfs/dbraw/zinc/19/66/00/479196600.db2.gz WONVXBRKIFBBTH-JKSUJKDBSA-N 2 0 346.475 2.722 20 5 EFBDRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593315942 479289672 /nfs/dbraw/zinc/28/96/72/479289672.db2.gz MQTUESYXOCPDKU-LZLYRXPVSA-N 2 0 333.432 2.622 20 5 EFBDRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000593324537 479296735 /nfs/dbraw/zinc/29/67/35/479296735.db2.gz WUFKGNKTCQFVSU-JKSUJKDBSA-N 2 0 347.394 2.663 20 5 EFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000602763145 479535940 /nfs/dbraw/zinc/53/59/40/479535940.db2.gz NDRDZSQVCYUDCD-UHFFFAOYSA-N 2 0 349.479 2.688 20 5 EFBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000602801288 479564033 /nfs/dbraw/zinc/56/40/33/479564033.db2.gz OQDLORRTIIPKJE-UHFFFAOYSA-N 2 0 349.479 2.688 20 5 EFBDRP O=[N+]([O-])c1cccc(F)c1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846529 479590513 /nfs/dbraw/zinc/59/05/13/479590513.db2.gz RABVMLFIXIULOB-UHFFFAOYSA-N 2 0 330.363 2.841 20 5 EFBDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072858167 520246108 /nfs/dbraw/zinc/24/61/08/520246108.db2.gz GETTUCCGTSECRO-HNNXBMFYSA-N 2 0 348.447 2.505 20 5 EFBDRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121637270 524051015 /nfs/dbraw/zinc/05/10/15/524051015.db2.gz KFORUJSRKJBNMS-UHFFFAOYSA-N 2 0 348.447 2.587 20 5 EFBDRP Cc1c([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000150974858 525915354 /nfs/dbraw/zinc/91/53/54/525915354.db2.gz FAHBGZIWQJDEIT-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465907 575439101 /nfs/dbraw/zinc/43/91/01/575439101.db2.gz QFBOBEQRNOCBEO-QOKNQOGYSA-N 2 0 347.459 2.871 20 5 EFBDRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000765472877 577044842 /nfs/dbraw/zinc/04/48/42/577044842.db2.gz QTKLWGDEFTVCTP-MRXNPFEDSA-N 2 0 346.475 2.885 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001168967514 1272559611 /nfs/dbraw/zinc/55/96/11/1272559611.db2.gz QHWKXTDOHZHLFQ-GUDVDZBRSA-N 2 0 331.460 2.934 20 5 EFBDRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998467 1272574877 /nfs/dbraw/zinc/57/48/77/1272574877.db2.gz NJHKKWFULMIQRF-DOTOQJQBSA-N 2 0 335.423 2.607 20 5 EFBDRP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997551 1272575295 /nfs/dbraw/zinc/57/52/95/1272575295.db2.gz DEFGDHJFPKIPNW-RDJZCZTQSA-N 2 0 335.423 2.607 20 5 EFBDRP CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]2C ZINC001169025754 1272622629 /nfs/dbraw/zinc/62/26/29/1272622629.db2.gz UTFUHWNZPNVFMJ-BZUAXINKSA-N 2 0 349.479 2.545 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170298377 1278980952 /nfs/dbraw/zinc/98/09/52/1278980952.db2.gz KMKHGXNKEZMFGJ-AWEZNQCLSA-N 2 0 335.448 2.856 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170298030 1278981290 /nfs/dbraw/zinc/98/12/90/1278981290.db2.gz YNTJXLSGUZNTBK-AWEZNQCLSA-N 2 0 335.448 2.997 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001170329274 1279018927 /nfs/dbraw/zinc/01/89/27/1279018927.db2.gz YXASFFFYMATYSF-CWRNSKLLSA-N 2 0 335.448 2.997 20 5 EFBDRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817950761 1276396073 /nfs/dbraw/zinc/39/60/73/1276396073.db2.gz ZQFUJZVIMPCLNZ-SJORKVTESA-N 2 0 343.431 2.566 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000817986450 1276425570 /nfs/dbraw/zinc/42/55/70/1276425570.db2.gz QACXWZVXMBYHSV-ZMSDIMECSA-N 2 0 344.459 2.541 20 5 EFBDRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819142011 1276627090 /nfs/dbraw/zinc/62/70/90/1276627090.db2.gz LYXHEEOGBZUTEF-IBGZPJMESA-N 2 0 349.475 2.976 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000844922941 1279343800 /nfs/dbraw/zinc/34/38/00/1279343800.db2.gz DLANITNUXWKIRC-UHFFFAOYSA-N 2 0 332.448 2.543 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1F ZINC001173176536 1286452515 /nfs/dbraw/zinc/45/25/15/1286452515.db2.gz HVGSWPIMRDMWMN-QWHCGFSZSA-N 2 0 339.411 2.605 20 5 EFBDRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000873241783 1289674845 /nfs/dbraw/zinc/67/48/45/1289674845.db2.gz ZJKAEDCGHKGRQB-SHTZXODSSA-N 2 0 332.448 2.671 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000873259708 1289686990 /nfs/dbraw/zinc/68/69/90/1289686990.db2.gz KCEQLYICEXJQHS-ACHSLPGTSA-N 2 0 344.459 2.684 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000873293664 1289708658 /nfs/dbraw/zinc/70/86/58/1289708658.db2.gz OVDJNUZKPVJCDT-AEFFLSMTSA-N 2 0 345.443 2.721 20 5 EFBDRP O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000903751930 1313163582 /nfs/dbraw/zinc/16/35/82/1313163582.db2.gz JMGHTRGNQYBFBJ-GOSISDBHSA-N 2 0 345.443 2.718 20 5 EFBDRP [NH3+]CCc1cn(-c2nc3ccccc3cc2[N+](=O)[O-])c2cc[nH+]cc12 ZINC001160949752 1311819764 /nfs/dbraw/zinc/81/97/64/1311819764.db2.gz CQLWPPWUVRWFKN-UHFFFAOYSA-N 2 0 333.351 2.983 20 5 EFBDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001161529771 1311907986 /nfs/dbraw/zinc/90/79/86/1311907986.db2.gz GXDGIXNLDJGYGZ-FNXXIHLHSA-N 2 0 347.462 2.811 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001211288060 1314469668 /nfs/dbraw/zinc/46/96/68/1314469668.db2.gz CVTVDDOALPEFAB-UHFFFAOYSA-N 2 0 327.388 2.794 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)c1F ZINC001246095334 1314582620 /nfs/dbraw/zinc/58/26/20/1314582620.db2.gz BHHZOBXGSFEXFE-AVGNSLFASA-N 2 0 339.411 2.509 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[C@H](C)[NH2+]C2)c1F ZINC001246102801 1314583493 /nfs/dbraw/zinc/58/34/93/1314583493.db2.gz XDLVWSFDXIAPGR-RWMBFGLXSA-N 2 0 339.411 2.651 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+][C@H]2C)c1F ZINC001246105130 1314583698 /nfs/dbraw/zinc/58/36/98/1314583698.db2.gz ARNCLFWLTKQLPV-RWMBFGLXSA-N 2 0 339.411 2.651 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@](C)([NH3+])CC2)c1F ZINC001246553375 1314646576 /nfs/dbraw/zinc/64/65/76/1314646576.db2.gz RAWCYAIBLWYTJW-YVEFUNNKSA-N 2 0 339.411 2.877 20 5 EFBDRP C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@H]1C[NH3+] ZINC001246563261 1314649733 /nfs/dbraw/zinc/64/97/33/1314649733.db2.gz CPKXWGCKJCOCPO-CVEARBPZSA-N 2 0 346.475 2.870 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246564057 1314649760 /nfs/dbraw/zinc/64/97/60/1314649760.db2.gz YSILMZXWPOEOCZ-OFQRWUPVSA-N 2 0 335.448 2.841 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609864 1314657231 /nfs/dbraw/zinc/65/72/31/1314657231.db2.gz OXTCQSJZMRVLBC-HKUYNNGSSA-N 2 0 329.444 2.918 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246625834 1314659754 /nfs/dbraw/zinc/65/97/54/1314659754.db2.gz FPPXDMLVBNCPMG-HKUYNNGSSA-N 2 0 329.444 2.918 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC([C@@H]3CCCC[NH2+]3)CC1)C2 ZINC001246656882 1314665321 /nfs/dbraw/zinc/66/53/21/1314665321.db2.gz OOGKQPBDAOYNIU-MOPGFXCFSA-N 2 0 329.444 2.916 20 5 EFBDRP COc1ccc(C[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC001246835819 1314693089 /nfs/dbraw/zinc/69/30/89/1314693089.db2.gz VBUWNHLZZMGRGX-KBXCAEBGSA-N 2 0 347.459 2.998 20 5 EFBDRP C[NH2+]CCCCNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001220077485 1315370403 /nfs/dbraw/zinc/37/04/03/1315370403.db2.gz LNWGIQLJSCFWJE-NRFANRHFSA-N 2 0 349.478 2.979 20 5 EFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@@H]1C[C@H]([NH3+])C1 ZINC001220150142 1315375369 /nfs/dbraw/zinc/37/53/69/1315375369.db2.gz RMMSLKOQJXNOAB-OXTHUFEASA-N 2 0 347.462 2.716 20 5 EFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889750 1315460671 /nfs/dbraw/zinc/46/06/71/1315460671.db2.gz OGKPDBMKPWWZIB-UTKZUKDTSA-N 2 0 347.462 2.731 20 5 EFBDRP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254465527 1315706779 /nfs/dbraw/zinc/70/67/79/1315706779.db2.gz BEGGUZQFLACJIE-OAHLLOKOSA-N 2 0 332.448 2.638 20 5 EFBDRP C[C@@H]1[C@H]2CC[N@@H+]1C[C@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254468233 1315707141 /nfs/dbraw/zinc/70/71/41/1315707141.db2.gz HMGHGRZZVZQATA-HLLBOEOZSA-N 2 0 344.459 2.636 20 5 EFBDRP C[N@H+](CC1CC[NH+](C)CC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479257 1315708123 /nfs/dbraw/zinc/70/81/23/1315708123.db2.gz UXXWLQQEYCSNOF-UHFFFAOYSA-N 2 0 346.475 2.837 20 5 EFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001254550738 1315722652 /nfs/dbraw/zinc/72/26/52/1315722652.db2.gz PZLDCYPRLYXUSA-HNNXBMFYSA-N 2 0 326.400 2.743 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CN(Cc3ccccc3)C1)C2 ZINC001254583785 1315727329 /nfs/dbraw/zinc/72/73/29/1315727329.db2.gz ODEHJVLBSJGTCV-LJQANCHMSA-N 2 0 337.423 2.784 20 5 EFBDRP COc1c(O)ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000894731932 722830401 /nfs/dbraw/zinc/83/04/01/722830401.db2.gz XEEMZOUXWJETJU-UHFFFAOYSA-N 2 0 325.409 2.519 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001574979425 1088183575 /nfs/dbraw/zinc/18/35/75/1088183575.db2.gz HGJGWUXTAOZGDN-AXMFATFGSA-N 2 0 345.443 2.826 20 5 EFBDRP C[C@]1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]C1 ZINC000904322962 1107815120 /nfs/dbraw/zinc/81/51/20/1107815120.db2.gz LFYMQARXFARBTC-SFHVURJKSA-N 2 0 333.432 2.828 20 5 EFBDRP CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000435377999 248231908 /nfs/dbraw/zinc/23/19/08/248231908.db2.gz BXLNENCICXTYJT-UHFFFAOYSA-N 2 0 332.429 2.902 20 5 EFBDRP C[C@H]([NH3+])[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377692 248232901 /nfs/dbraw/zinc/23/29/01/248232901.db2.gz FJFMWAVWRKWUBR-AAEUAGOBSA-N 2 0 332.429 2.887 20 5 EFBDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000442924284 250141616 /nfs/dbraw/zinc/14/16/16/250141616.db2.gz XOFCMNZANMOXGL-NSHDSACASA-N 2 0 329.347 2.757 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843383 221195601 /nfs/dbraw/zinc/19/56/01/221195601.db2.gz WXHBCKDZASUDFZ-OAHLLOKOSA-N 2 0 348.447 2.505 20 5 EFBDRP [NH3+]CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000359274847 148042774 /nfs/dbraw/zinc/04/27/74/148042774.db2.gz KMYPTBNUNLZGEN-UHFFFAOYSA-N 2 0 329.400 2.825 20 5 EFBDRP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000374676195 151393606 /nfs/dbraw/zinc/39/36/06/151393606.db2.gz GMIFTNJDCKALSU-KBPBESRZSA-N 2 0 326.400 2.912 20 5 EFBDRP COCC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000423409961 292249485 /nfs/dbraw/zinc/24/94/85/292249485.db2.gz RFCDXKPKCADFTN-KRWDZBQOSA-N 2 0 347.459 2.923 20 5 EFBDRP Cc1c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000160216852 225363421 /nfs/dbraw/zinc/36/34/21/225363421.db2.gz CYIXJTNQWGNHTB-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433128525 273587496 /nfs/dbraw/zinc/58/74/96/273587496.db2.gz WZNSYXIKOCGIDA-GOSISDBHSA-N 2 0 347.459 2.611 20 5 EFBDRP O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422940827 275035571 /nfs/dbraw/zinc/03/55/71/275035571.db2.gz JGLQAYHBQWAQCJ-HKUYNNGSSA-N 2 0 339.395 2.940 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000344840352 275398318 /nfs/dbraw/zinc/39/83/18/275398318.db2.gz DEDXVRFGDAYDMR-UIRWJGRMSA-N 2 0 347.459 2.825 20 5 EFBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192942331 276357820 /nfs/dbraw/zinc/35/78/20/276357820.db2.gz OMEICZTZLBGARN-AEFFLSMTSA-N 2 0 335.448 2.919 20 5 EFBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447580404 289309031 /nfs/dbraw/zinc/30/90/31/289309031.db2.gz OKUMXJDZKJFPFA-ZJIFWQFVSA-N 2 0 335.452 2.737 20 5 EFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC[NH+]2CCCCC2)n1 ZINC000447514589 304811665 /nfs/dbraw/zinc/81/16/65/304811665.db2.gz GHPYHBYVVPRJJB-HOTGVXAUSA-N 2 0 335.452 2.741 20 5 EFBDRP Cc1cc(NC[C@H](C)C[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302212658 311185014 /nfs/dbraw/zinc/18/50/14/311185014.db2.gz YXXVFAZOLNNYIU-ZDUSSCGKSA-N 2 0 344.415 2.832 20 5 EFBDRP COCC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414971909 312069324 /nfs/dbraw/zinc/06/93/24/312069324.db2.gz JNYQHTRGJLUGSE-HNNXBMFYSA-N 2 0 335.448 2.522 20 5 EFBDRP Cn1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414974524 312069501 /nfs/dbraw/zinc/06/95/01/312069501.db2.gz NPYJDHZKQTXUIO-MRXNPFEDSA-N 2 0 343.431 2.617 20 5 EFBDRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415002184 312075325 /nfs/dbraw/zinc/07/53/25/312075325.db2.gz VXBKHHBGULSFAT-PWSUYJOCSA-N 2 0 329.347 2.803 20 5 EFBDRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415002186 312075358 /nfs/dbraw/zinc/07/53/58/312075358.db2.gz VXBKHHBGULSFAT-ZYHUDNBSSA-N 2 0 329.347 2.803 20 5 EFBDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415125578 312098589 /nfs/dbraw/zinc/09/85/89/312098589.db2.gz OKIJOHCKOONOLM-GVKBTVHKSA-N 2 0 345.443 2.826 20 5 EFBDRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415131518 312099904 /nfs/dbraw/zinc/09/99/04/312099904.db2.gz SNWYIUIYLFTNAE-SJLPKXTDSA-N 2 0 333.432 2.622 20 5 EFBDRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423460909 312420641 /nfs/dbraw/zinc/42/06/41/312420641.db2.gz BSIRZXZZPDBRHB-YSVLISHTSA-N 2 0 343.431 2.525 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000423540040 312431564 /nfs/dbraw/zinc/43/15/64/312431564.db2.gz JHXLUIVDPCKBTH-FJIDUMEYSA-N 2 0 329.444 2.894 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000423540219 312431763 /nfs/dbraw/zinc/43/17/63/312431763.db2.gz JHXLUIVDPCKBTH-XDNAFOTISA-N 2 0 329.444 2.894 20 5 EFBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433169409 312597315 /nfs/dbraw/zinc/59/73/15/312597315.db2.gz RGUOYJQHLGLRJV-KSSFIOAISA-N 2 0 346.475 2.543 20 5 EFBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000525686486 316226784 /nfs/dbraw/zinc/22/67/84/316226784.db2.gz SGAIVWWXRSCFKW-DLBZAZTESA-N 2 0 346.475 2.756 20 5 EFBDRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000525686488 316226898 /nfs/dbraw/zinc/22/68/98/316226898.db2.gz SGAIVWWXRSCFKW-IRXDYDNUSA-N 2 0 346.475 2.756 20 5 EFBDRP C[NH+](C)CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083198853 473331412 /nfs/dbraw/zinc/33/14/12/473331412.db2.gz YBANEIUCTQRFDP-UHFFFAOYSA-N 2 0 332.404 2.900 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000150969630 473389786 /nfs/dbraw/zinc/38/97/86/473389786.db2.gz WTLOBBVCVHWCPK-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000424336398 477375063 /nfs/dbraw/zinc/37/50/63/477375063.db2.gz QLRHPLADWZDFCN-HUUCEWRRSA-N 2 0 330.388 2.652 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CC[NH+](C4CC4)CC3)nc2c1 ZINC000602639098 479441442 /nfs/dbraw/zinc/44/14/42/479441442.db2.gz ZZMHACJLSCDEGN-UHFFFAOYSA-N 2 0 330.388 2.700 20 5 EFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155650108 472588484 /nfs/dbraw/zinc/58/84/84/472588484.db2.gz HUJZAMPXLQMWIS-HZPDHXFCSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000132353035 472728340 /nfs/dbraw/zinc/72/83/40/472728340.db2.gz JCZSIKOQJKVBHN-LPHOPBHVSA-N 2 0 348.491 2.826 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000121216500 472818575 /nfs/dbraw/zinc/81/85/75/472818575.db2.gz DRTQSCAKUPPCQO-RDJZCZTQSA-N 2 0 348.491 2.827 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000160698469 473163469 /nfs/dbraw/zinc/16/34/69/473163469.db2.gz BTODGVLZHNFTEO-NVXWUHKLSA-N 2 0 335.448 2.791 20 5 EFBDRP Cc1c(NC(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000152439478 473562259 /nfs/dbraw/zinc/56/22/59/473562259.db2.gz LJUMBNFPAVPCQL-HUUCEWRRSA-N 2 0 348.447 2.504 20 5 EFBDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192651081 473700372 /nfs/dbraw/zinc/70/03/72/473700372.db2.gz JVEHWOYOEUMITE-LJQANCHMSA-N 2 0 346.475 2.588 20 5 EFBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193301466 473781151 /nfs/dbraw/zinc/78/11/51/473781151.db2.gz AROUTWFSKHWUMZ-HNAYVOBHSA-N 2 0 346.475 2.588 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173385407 473822386 /nfs/dbraw/zinc/82/23/86/473822386.db2.gz LLZKPHOZCWFFDG-CVEARBPZSA-N 2 0 334.464 2.519 20 5 EFBDRP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194261372 473869752 /nfs/dbraw/zinc/86/97/52/473869752.db2.gz PVECRMDVGWULDS-MOPGFXCFSA-N 2 0 348.491 2.908 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000247928115 474226917 /nfs/dbraw/zinc/22/69/17/474226917.db2.gz BTODGVLZHNFTEO-WBVHZDCISA-N 2 0 335.448 2.791 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCC2 ZINC000249060319 474516250 /nfs/dbraw/zinc/51/62/50/474516250.db2.gz ZUPJJXOYHYNHOE-PKOBYXMFSA-N 2 0 347.459 2.799 20 5 EFBDRP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261691678 475028029 /nfs/dbraw/zinc/02/80/29/475028029.db2.gz JAGQJTNTFRGJER-SJORKVTESA-N 2 0 341.411 2.648 20 5 EFBDRP C[N@@H+]1CCCC[C@H]1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268528822 475034403 /nfs/dbraw/zinc/03/44/03/475034403.db2.gz HYKWJYRHMIOPAY-INIZCTEOSA-N 2 0 332.448 2.591 20 5 EFBDRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331848388 475432960 /nfs/dbraw/zinc/43/29/60/475432960.db2.gz CNVSCXUBUTUKBU-JKSUJKDBSA-N 2 0 335.452 2.737 20 5 EFBDRP CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352607968 475455018 /nfs/dbraw/zinc/45/50/18/475455018.db2.gz CEJWGMVJAOIVCF-INIZCTEOSA-N 2 0 339.411 2.667 20 5 EFBDRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331991398 475478450 /nfs/dbraw/zinc/47/84/50/475478450.db2.gz ZJSWWGHIXWZLSY-DLBZAZTESA-N 2 0 349.479 2.985 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000358364300 475620683 /nfs/dbraw/zinc/62/06/83/475620683.db2.gz IEULWTNMOFURAV-LPHOPBHVSA-N 2 0 349.475 2.864 20 5 EFBDRP Cc1c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000362719231 476366454 /nfs/dbraw/zinc/36/64/54/476366454.db2.gz HPNQSLPTCSMEAB-GOSISDBHSA-N 2 0 346.475 2.504 20 5 EFBDRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354193413 476492829 /nfs/dbraw/zinc/49/28/29/476492829.db2.gz ZKGYEJASAOXNDU-UHFFFAOYSA-N 2 0 333.388 2.523 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363141771 476577426 /nfs/dbraw/zinc/57/74/26/476577426.db2.gz BAMUUAONDUBWDF-UHFFFAOYSA-N 2 0 333.432 2.529 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422632641 476724884 /nfs/dbraw/zinc/72/48/84/476724884.db2.gz HCSRRBKHEMRZEX-ILXRZTDVSA-N 2 0 348.447 2.537 20 5 EFBDRP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422919455 476847565 /nfs/dbraw/zinc/84/75/65/476847565.db2.gz KBOUPVWJUKAFCB-GBESFXJTSA-N 2 0 347.459 2.664 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000423174348 476953884 /nfs/dbraw/zinc/95/38/84/476953884.db2.gz ALWYZFQEGULFOE-ZDUSSCGKSA-N 2 0 334.420 2.563 20 5 EFBDRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447590460 477017918 /nfs/dbraw/zinc/01/79/18/477017918.db2.gz CSBVAMJJKIKQFO-GOSISDBHSA-N 2 0 335.448 2.920 20 5 EFBDRP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447591911 477020195 /nfs/dbraw/zinc/02/01/95/477020195.db2.gz GCDAUNURHOWSSP-HZPDHXFCSA-N 2 0 349.479 2.987 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423415193 477026675 /nfs/dbraw/zinc/02/66/75/477026675.db2.gz AAJPCGVEAJCSGK-RBSFLKMASA-N 2 0 348.447 2.667 20 5 EFBDRP Cc1c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cccc1[N+](=O)[O-] ZINC000375906808 477074389 /nfs/dbraw/zinc/07/43/89/477074389.db2.gz QEKZPYVYMBAIJG-GOSISDBHSA-N 2 0 346.475 2.504 20 5 EFBDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433167164 477314654 /nfs/dbraw/zinc/31/46/54/477314654.db2.gz ZRWPTYVKYQXXDF-GOSISDBHSA-N 2 0 346.475 2.544 20 5 EFBDRP COc1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000424376287 477383134 /nfs/dbraw/zinc/38/31/34/477383134.db2.gz KWIDFOPIDCVXHU-CYBMUJFWSA-N 2 0 349.431 2.576 20 5 EFBDRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000420378007 477733242 /nfs/dbraw/zinc/73/32/42/477733242.db2.gz UAOVQBOEURPGHJ-KRWDZBQOSA-N 2 0 343.427 2.820 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459729779 478064252 /nfs/dbraw/zinc/06/42/52/478064252.db2.gz DQQUOIFRZRWWLY-CABCVRRESA-N 2 0 348.447 2.633 20 5 EFBDRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000570632975 478403558 /nfs/dbraw/zinc/40/35/58/478403558.db2.gz OQZWZSBUORSPOK-CVEARBPZSA-N 2 0 329.404 2.524 20 5 EFBDRP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC34CC[NH2+]CC4)cs2)c1 ZINC000591281655 478509229 /nfs/dbraw/zinc/50/92/29/478509229.db2.gz IWVFCSCRCZNWBI-HNNXBMFYSA-N 2 0 344.440 2.950 20 5 EFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282689 478509277 /nfs/dbraw/zinc/50/92/77/478509277.db2.gz QEWLDJURWXBRBD-UKRRQHHQSA-N 2 0 346.431 2.576 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000592492838 478914355 /nfs/dbraw/zinc/91/43/55/478914355.db2.gz DKDNIZWJMDIHLP-ZIAGYGMSSA-N 2 0 344.415 2.948 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595900603 479060048 /nfs/dbraw/zinc/06/00/48/479060048.db2.gz HWXYDPJDRWZXMC-MRXNPFEDSA-N 2 0 333.432 2.685 20 5 EFBDRP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000595901474 479060131 /nfs/dbraw/zinc/06/01/31/479060131.db2.gz WOOKTCDYCMXTKS-INIZCTEOSA-N 2 0 333.432 2.685 20 5 EFBDRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595905608 479062825 /nfs/dbraw/zinc/06/28/25/479062825.db2.gz WAQRUTFHIWBIMC-GDBMZVCRSA-N 2 0 348.447 2.763 20 5 EFBDRP Cc1c([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000602022067 479143660 /nfs/dbraw/zinc/14/36/60/479143660.db2.gz SWPMNHAWRDXORY-CQSZACIVSA-N 2 0 341.415 2.881 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000610798683 479192562 /nfs/dbraw/zinc/19/25/62/479192562.db2.gz OHOYRKMPAFZYNC-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593315940 479290388 /nfs/dbraw/zinc/29/03/88/479290388.db2.gz MQTUESYXOCPDKU-JZXOWHBKSA-N 2 0 333.432 2.622 20 5 EFBDRP CC(C)(O)C[NH+]1CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602560539 479397681 /nfs/dbraw/zinc/39/76/81/479397681.db2.gz MYLLUIPHJCYOON-UHFFFAOYSA-N 2 0 349.475 2.742 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593735704 479439290 /nfs/dbraw/zinc/43/92/90/479439290.db2.gz ZBMWPIJSWJZRON-SUMWQHHRSA-N 2 0 348.447 2.681 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736218 479439469 /nfs/dbraw/zinc/43/94/69/479439469.db2.gz JRZPYWFBEDSURK-FSZRXZPDSA-N 2 0 333.432 2.874 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2CCCCCC2)n1 ZINC000618562107 479493263 /nfs/dbraw/zinc/49/32/63/479493263.db2.gz YXZQLYHTPWETKN-JKSUJKDBSA-N 2 0 335.452 2.741 20 5 EFBDRP CCC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155023859 520787533 /nfs/dbraw/zinc/78/75/33/520787533.db2.gz UYCMQWZMZOTKRV-MAUKXSAKSA-N 2 0 334.464 2.662 20 5 EFBDRP COC[C@]1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCC[NH2+]1 ZINC000261713153 522897035 /nfs/dbraw/zinc/89/70/35/522897035.db2.gz PXROKKXSWNSXAZ-QGZVFWFLSA-N 2 0 330.388 2.632 20 5 EFBDRP CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435626040 535705772 /nfs/dbraw/zinc/70/57/72/535705772.db2.gz JRHJMJVAFXZQJY-OAHLLOKOSA-N 2 0 348.447 2.696 20 5 EFBDRP CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCC[NH2+]CC1 ZINC000435613503 535706306 /nfs/dbraw/zinc/70/63/06/535706306.db2.gz AYRWEBJWASNQRH-HNNXBMFYSA-N 2 0 348.447 2.696 20 5 EFBDRP C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465909 575439252 /nfs/dbraw/zinc/43/92/52/575439252.db2.gz QFBOBEQRNOCBEO-URLQWDBASA-N 2 0 347.459 2.871 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765040641 576539563 /nfs/dbraw/zinc/53/95/63/576539563.db2.gz XDJBDPMDUKZKPW-LPHOPBHVSA-N 2 0 344.459 2.780 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998022 1272574936 /nfs/dbraw/zinc/57/49/36/1272574936.db2.gz HGQYVZPSAAIJSK-VDHUWJSZSA-N 2 0 332.448 2.599 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001169042828 1272612345 /nfs/dbraw/zinc/61/23/45/1272612345.db2.gz GHPSHNVBYDJWAV-WCIQWLHISA-N 2 0 343.471 2.886 20 5 EFBDRP CC[N+](C)(C)Cc1ccccc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169242638 1272766230 /nfs/dbraw/zinc/76/62/30/1272766230.db2.gz QTJVRFVDWPQSOP-UHFFFAOYSA-N 2 0 328.484 2.585 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001170325951 1279018505 /nfs/dbraw/zinc/01/85/05/1279018505.db2.gz YXASFFFYMATYSF-FVQBIDKESA-N 2 0 335.448 2.997 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000817986445 1276425447 /nfs/dbraw/zinc/42/54/47/1276425447.db2.gz QACXWZVXMBYHSV-HLLBOEOZSA-N 2 0 344.459 2.541 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001170309491 1279031930 /nfs/dbraw/zinc/03/19/30/1279031930.db2.gz QWPMECBWZIKFND-DMRZNYOFSA-N 2 0 333.432 2.749 20 5 EFBDRP COc1ccc(C[C@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC001170353453 1279033212 /nfs/dbraw/zinc/03/32/12/1279033212.db2.gz YJWZSFRTMODVKR-KBXCAEBGSA-N 2 0 333.432 2.562 20 5 EFBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000819050600 1276581403 /nfs/dbraw/zinc/58/14/03/1276581403.db2.gz UDMUVOYRUNIGQN-SFHVURJKSA-N 2 0 335.448 2.874 20 5 EFBDRP COc1ccc(C[C@@H](C)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170344397 1279048660 /nfs/dbraw/zinc/04/86/60/1279048660.db2.gz BQCKDBIJURBZSL-OAHLLOKOSA-N 2 0 335.448 2.952 20 5 EFBDRP COc1ccc(C[C@H](C)[N@H+](C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170347025 1279053726 /nfs/dbraw/zinc/05/37/26/1279053726.db2.gz PJFULOPXEFDMLN-AWEZNQCLSA-N 2 0 335.448 2.808 20 5 EFBDRP Cc1c(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000871864773 1287329131 /nfs/dbraw/zinc/32/91/31/1287329131.db2.gz MZIXOWDRMQPDQE-UHFFFAOYSA-N 2 0 341.415 2.662 20 5 EFBDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000872222710 1287485122 /nfs/dbraw/zinc/48/51/22/1287485122.db2.gz BBUQVFMEUKYFIQ-SFHVURJKSA-N 2 0 335.448 2.728 20 5 EFBDRP CN(CCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000808781480 1281897514 /nfs/dbraw/zinc/89/75/14/1281897514.db2.gz IHKJWABCMUVMRG-UHFFFAOYSA-N 2 0 342.871 2.564 20 5 EFBDRP CC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]2C1 ZINC001172912802 1286353349 /nfs/dbraw/zinc/35/33/49/1286353349.db2.gz MHWFTGWFJMADSR-KZNAEPCWSA-N 2 0 329.444 2.726 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccccc2C[NH3+])c1F ZINC001173183563 1286456806 /nfs/dbraw/zinc/45/68/06/1286456806.db2.gz MQOGMMUBLMVDTB-LBPRGKRZSA-N 2 0 347.390 2.922 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)CC[NH+](C)C)c1F ZINC001173191519 1286457674 /nfs/dbraw/zinc/45/76/74/1286457674.db2.gz LZHZCTZMLRPETJ-GFCCVEGCSA-N 2 0 341.427 2.993 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000873009854 1289516275 /nfs/dbraw/zinc/51/62/75/1289516275.db2.gz CHFWAOUWJYNWGG-IBGZPJMESA-N 2 0 348.491 2.573 20 5 EFBDRP Cc1c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873054930 1289543027 /nfs/dbraw/zinc/54/30/27/1289543027.db2.gz AULCUFQCEFZMJQ-HUUCEWRRSA-N 2 0 335.448 2.882 20 5 EFBDRP Cc1c(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000873096978 1289566190 /nfs/dbraw/zinc/56/61/90/1289566190.db2.gz CIARVPXZLVYMIE-UHFFFAOYSA-N 2 0 344.415 2.528 20 5 EFBDRP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873289135 1289704351 /nfs/dbraw/zinc/70/43/51/1289704351.db2.gz FQJYTWUEIRPIDD-SJORKVTESA-N 2 0 333.432 2.794 20 5 EFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1Cl ZINC000748438230 1313923049 /nfs/dbraw/zinc/92/30/49/1313923049.db2.gz QSLAMVDCTFTXQU-UHFFFAOYSA-N 2 0 342.871 2.958 20 5 EFBDRP C[N+](C)(C)CCCO[C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001224621040 1311414577 /nfs/dbraw/zinc/41/45/77/1311414577.db2.gz IYWCTGQDLZHHNS-ZDUSSCGKSA-N 2 0 332.921 2.874 20 5 EFBDRP CC[N+](C)(C)Cc1ccccc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163286165 1312282720 /nfs/dbraw/zinc/28/27/20/1312282720.db2.gz ZFVSQVOIIUYMMN-XLIONFOSSA-N 2 0 332.512 2.854 20 5 EFBDRP O=[N+]([O-])c1cc2c(cc1NCC1C[NH+](Cc3ccccc3)C1)C[NH2+]C2 ZINC001165454523 1312632888 /nfs/dbraw/zinc/63/28/88/1312632888.db2.gz OUYKXXWGEVYZAL-UHFFFAOYSA-N 2 0 338.411 2.742 20 5 EFBDRP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246112524 1314584025 /nfs/dbraw/zinc/58/40/25/1314584025.db2.gz QNXOPBOWVJCKEB-HUUCEWRRSA-N 2 0 332.448 2.541 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246128973 1314585877 /nfs/dbraw/zinc/58/58/77/1314585877.db2.gz CPMZCSFWXYXVNU-FPAYPSAMSA-N 2 0 329.444 2.820 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](C1CCC1)C1C[NH2+]C1)CC2 ZINC001246519574 1314641615 /nfs/dbraw/zinc/64/16/15/1314641615.db2.gz SHLIKFMRCMOOJT-MJGOQNOKSA-N 2 0 329.444 2.820 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246549361 1314646039 /nfs/dbraw/zinc/64/60/39/1314646039.db2.gz MEIPZYJPMDHSHA-GUYCJALGSA-N 2 0 339.411 2.687 20 5 EFBDRP C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@@H]1C[NH3+] ZINC001246563270 1314649608 /nfs/dbraw/zinc/64/96/08/1314649608.db2.gz CPKXWGCKJCOCPO-HZPDHXFCSA-N 2 0 346.475 2.870 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@]34CCC[NH2+]C4)CC2)cc1 ZINC001246612043 1314656902 /nfs/dbraw/zinc/65/69/02/1314656902.db2.gz WMBCBOACTYJMFC-IBGZPJMESA-N 2 0 344.459 2.782 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246625837 1314659655 /nfs/dbraw/zinc/65/96/55/1314659655.db2.gz FPPXDMLVBNCPMG-IEBWSBKVSA-N 2 0 329.444 2.918 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC([C@@H]3CCCC[NH2+]3)CC1)C2 ZINC001246656883 1314665191 /nfs/dbraw/zinc/66/51/91/1314665191.db2.gz OOGKQPBDAOYNIU-OALUTQOASA-N 2 0 329.444 2.916 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247017142 1314731617 /nfs/dbraw/zinc/73/16/17/1314731617.db2.gz ZWEUVOGIUOTLTP-YQVWRLOYSA-N 2 0 329.444 2.916 20 5 EFBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001216481807 1314960882 /nfs/dbraw/zinc/96/08/82/1314960882.db2.gz DYGRIUWXDUELMT-UHFFFAOYSA-N 2 0 331.351 2.624 20 5 EFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001254544354 1315721731 /nfs/dbraw/zinc/72/17/31/1315721731.db2.gz JEBJYYKAQJEMRP-KBAYOESNSA-N 2 0 347.459 2.759 20 5 EFBDRP C[NH+](C)CC1CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848477983 1334735964 /nfs/dbraw/zinc/73/59/64/1334735964.db2.gz AFGVQYRKYWMKAU-UHFFFAOYSA-N 2 0 343.431 2.689 20 5 EFBDRP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[NH2+]2 ZINC001576588109 1089340244 /nfs/dbraw/zinc/34/02/44/1089340244.db2.gz PXDYMEDQSCUJLQ-JECZMYCTSA-N 2 0 344.459 2.682 20 5 EFBDRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154283659 529596859 /nfs/dbraw/zinc/59/68/59/529596859.db2.gz BTCLXLFOTKFKJQ-SFHVURJKSA-N 2 0 334.464 2.663 20 5 EFBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186575251 235946227 /nfs/dbraw/zinc/94/62/27/235946227.db2.gz ALXYCCXWTXEXGD-SJORKVTESA-N 2 0 348.491 2.532 20 5 EFBDRP C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000129640821 223076365 /nfs/dbraw/zinc/07/63/65/223076365.db2.gz NPUJQBVMCJZASI-YOEHRIQHSA-N 2 0 330.388 2.753 20 5 EFBDRP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[NH+]1C ZINC000072759276 216303681 /nfs/dbraw/zinc/30/36/81/216303681.db2.gz BBIGANQKSWLQML-OAHLLOKOSA-N 2 0 348.447 2.730 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000132478483 223334800 /nfs/dbraw/zinc/33/48/00/223334800.db2.gz ZEKKRNOLKNXTFF-VQIMIIECSA-N 2 0 348.491 2.826 20 5 EFBDRP COCC[NH2+]CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414884480 244388046 /nfs/dbraw/zinc/38/80/46/244388046.db2.gz NKNRTFSCRDYMDS-UHFFFAOYSA-N 2 0 335.429 2.649 20 5 EFBDRP Cn1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000442902423 250140263 /nfs/dbraw/zinc/14/02/63/250140263.db2.gz SJBYUMARDYWVPW-CQSZACIVSA-N 2 0 343.431 2.556 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000344797229 142080020 /nfs/dbraw/zinc/08/00/20/142080020.db2.gz WEFCMINQLAJZCE-DTQAZKPQSA-N 2 0 346.475 2.614 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000344840347 142086319 /nfs/dbraw/zinc/08/63/19/142086319.db2.gz DEDXVRFGDAYDMR-BAILOTOSSA-N 2 0 347.459 2.825 20 5 EFBDRP C[NH+]1CCC2(CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374179493 151297676 /nfs/dbraw/zinc/29/76/76/151297676.db2.gz UAOKKAJSBNWRCE-UHFFFAOYSA-N 2 0 333.432 2.781 20 5 EFBDRP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422940829 275035600 /nfs/dbraw/zinc/03/56/00/275035600.db2.gz JGLQAYHBQWAQCJ-MJGOQNOKSA-N 2 0 339.395 2.940 20 5 EFBDRP CC(C)c1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000414788014 276053291 /nfs/dbraw/zinc/05/32/91/276053291.db2.gz MMSHGHKWRRDEMT-INIZCTEOSA-N 2 0 347.459 2.906 20 5 EFBDRP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421878398 282049463 /nfs/dbraw/zinc/04/94/63/282049463.db2.gz NFWXFKVZUFXJFS-SSHXOBKSSA-N 2 0 335.452 2.737 20 5 EFBDRP C[N@H+](CCCn1ccnc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290659889 294149156 /nfs/dbraw/zinc/14/91/56/294149156.db2.gz ZQBXYJIVTVUAPD-UHFFFAOYSA-N 2 0 340.330 2.915 20 5 EFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH3+])CCCCC1 ZINC000414835617 312056193 /nfs/dbraw/zinc/05/61/93/312056193.db2.gz DNEMDVIEGXDLCW-CYBMUJFWSA-N 2 0 334.420 2.563 20 5 EFBDRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415123063 312097960 /nfs/dbraw/zinc/09/79/60/312097960.db2.gz KSOZZKCDSUVXEV-AEFFLSMTSA-N 2 0 333.432 2.622 20 5 EFBDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415125579 312098413 /nfs/dbraw/zinc/09/84/13/312098413.db2.gz OKIJOHCKOONOLM-MGDPNLISSA-N 2 0 345.443 2.826 20 5 EFBDRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415131519 312099884 /nfs/dbraw/zinc/09/98/84/312099884.db2.gz SNWYIUIYLFTNAE-WMZOPIPTSA-N 2 0 333.432 2.622 20 5 EFBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000525686487 316226966 /nfs/dbraw/zinc/22/69/66/316226966.db2.gz SGAIVWWXRSCFKW-IAGOWNOFSA-N 2 0 346.475 2.756 20 5 EFBDRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000569305389 319366948 /nfs/dbraw/zinc/36/69/48/319366948.db2.gz HILYENFTQZHXSZ-IBGZPJMESA-N 2 0 346.475 2.589 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000577024213 320069896 /nfs/dbraw/zinc/06/98/96/320069896.db2.gz ZUIVPUOJBBYJQD-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP C[C@@H](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000578065160 320170137 /nfs/dbraw/zinc/17/01/37/320170137.db2.gz LZZRHFHVVJCKSS-HNNXBMFYSA-N 2 0 348.447 2.778 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000124403367 473241982 /nfs/dbraw/zinc/24/19/82/473241982.db2.gz TUJPVDACBXJBMR-MRXNPFEDSA-N 2 0 348.491 2.827 20 5 EFBDRP CCC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120417906 472685264 /nfs/dbraw/zinc/68/52/64/472685264.db2.gz WGPYOJIWTISYLS-SFHVURJKSA-N 2 0 334.464 2.663 20 5 EFBDRP CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120944164 472771962 /nfs/dbraw/zinc/77/19/62/472771962.db2.gz LPDUWZQCYUQHKF-LPHOPBHVSA-N 2 0 348.491 2.909 20 5 EFBDRP CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120944337 472772829 /nfs/dbraw/zinc/77/28/29/472772829.db2.gz LPDUWZQCYUQHKF-QFBILLFUSA-N 2 0 348.491 2.909 20 5 EFBDRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120999158 472780482 /nfs/dbraw/zinc/78/04/82/472780482.db2.gz MDXSZIDSCNIYAH-CRAIPNDOSA-N 2 0 334.464 2.519 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160216251 473098175 /nfs/dbraw/zinc/09/81/75/473098175.db2.gz JPMNJQIBWHYTJX-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000160698585 473163482 /nfs/dbraw/zinc/16/34/82/473163482.db2.gz BTODGVLZHNFTEO-DOTOQJQBSA-N 2 0 335.448 2.791 20 5 EFBDRP C[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163891696 473470349 /nfs/dbraw/zinc/47/03/49/473470349.db2.gz PRKXVKUWPBCPAI-JQWIXIFHSA-N 2 0 342.237 2.774 20 5 EFBDRP CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127585372 473629985 /nfs/dbraw/zinc/62/99/85/473629985.db2.gz GNKZQHGRWPMQHC-YJBOKZPZSA-N 2 0 334.464 2.662 20 5 EFBDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192651099 473700000 /nfs/dbraw/zinc/70/00/00/473700000.db2.gz JVEHWOYOEUMITE-IBGZPJMESA-N 2 0 346.475 2.588 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247980194 474236485 /nfs/dbraw/zinc/23/64/85/474236485.db2.gz IFPXBWPUJONTSD-WMLDXEAASA-N 2 0 333.432 2.910 20 5 EFBDRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271038783 474379471 /nfs/dbraw/zinc/37/94/71/474379471.db2.gz MMEVDDLSTNACLX-GOSISDBHSA-N 2 0 335.448 2.682 20 5 EFBDRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000283475847 474412928 /nfs/dbraw/zinc/41/29/28/474412928.db2.gz ZVRJJNNJZYBPRO-UHFFFAOYSA-N 2 0 348.447 2.728 20 5 EFBDRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337259606 474835979 /nfs/dbraw/zinc/83/59/79/474835979.db2.gz WINNQSNDAGZPMY-UHFFFAOYSA-N 2 0 348.447 2.730 20 5 EFBDRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000323884926 474957422 /nfs/dbraw/zinc/95/74/22/474957422.db2.gz VKTOYSQUIUZGJF-KRWDZBQOSA-N 2 0 334.464 2.662 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000323852772 474957609 /nfs/dbraw/zinc/95/76/09/474957609.db2.gz MXJNQWSSJCCBAI-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285370382 474993268 /nfs/dbraw/zinc/99/32/68/474993268.db2.gz CCJZJFDDTDDFFH-SJPCQFCGSA-N 2 0 333.432 2.921 20 5 EFBDRP COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261792645 475064321 /nfs/dbraw/zinc/06/43/21/475064321.db2.gz QGMBMGQXOQWVFJ-AEFFLSMTSA-N 2 0 341.411 2.778 20 5 EFBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000269082474 475167209 /nfs/dbraw/zinc/16/72/09/475167209.db2.gz OURIOILSGFOJAO-ROUUACIJSA-N 2 0 349.475 2.862 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000358364301 475620889 /nfs/dbraw/zinc/62/08/89/475620889.db2.gz IEULWTNMOFURAV-QFBILLFUSA-N 2 0 349.475 2.864 20 5 EFBDRP O=[N+]([O-])c1ccccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353959189 476336600 /nfs/dbraw/zinc/33/66/00/476336600.db2.gz CQCCYXUNFKZHOD-UHFFFAOYSA-N 2 0 341.415 2.614 20 5 EFBDRP Cc1c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000363593605 476450441 /nfs/dbraw/zinc/45/04/41/476450441.db2.gz OPHNDWYVXROOEW-UHFFFAOYSA-N 2 0 347.459 2.838 20 5 EFBDRP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000377617275 476476480 /nfs/dbraw/zinc/47/64/80/476476480.db2.gz AJPZHVUENIHAOD-GOSISDBHSA-N 2 0 346.475 2.504 20 5 EFBDRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421878397 476698071 /nfs/dbraw/zinc/69/80/71/476698071.db2.gz NFWXFKVZUFXJFS-QDIHITRGSA-N 2 0 335.452 2.737 20 5 EFBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000422640281 476728238 /nfs/dbraw/zinc/72/82/38/476728238.db2.gz VJASVBAULHKGKC-YDHLFZDLSA-N 2 0 348.447 2.537 20 5 EFBDRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422942445 476856520 /nfs/dbraw/zinc/85/65/20/476856520.db2.gz KFKBFIOHBIDSNL-ZIAGYGMSSA-N 2 0 349.431 2.567 20 5 EFBDRP Cc1c(NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430586337 476871031 /nfs/dbraw/zinc/87/10/31/476871031.db2.gz VZODTGLPOIBRTC-CQSZACIVSA-N 2 0 336.436 2.537 20 5 EFBDRP C[NH2+]C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430626726 476883203 /nfs/dbraw/zinc/88/32/03/476883203.db2.gz MBUYAHOBFJSOOA-AWEZNQCLSA-N 2 0 344.415 2.724 20 5 EFBDRP CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC[NH2+]CC1 ZINC000431106389 476979428 /nfs/dbraw/zinc/97/94/28/476979428.db2.gz MOEHQSFTFHGRBL-UHFFFAOYSA-N 2 0 348.447 2.696 20 5 EFBDRP COCC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]CC1 ZINC000423404507 477021092 /nfs/dbraw/zinc/02/10/92/477021092.db2.gz IUXAHXKEBDYANB-KRWDZBQOSA-N 2 0 347.459 2.522 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424288698 477357594 /nfs/dbraw/zinc/35/75/94/477357594.db2.gz LCMBUAHSPRRFBJ-CQSZACIVSA-N 2 0 333.432 2.958 20 5 EFBDRP COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000424376289 477382712 /nfs/dbraw/zinc/38/27/12/477382712.db2.gz KWIDFOPIDCVXHU-ZDUSSCGKSA-N 2 0 349.431 2.576 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449077151 477424860 /nfs/dbraw/zinc/42/48/60/477424860.db2.gz JIMFRCWASQKKRY-QGZVFWFLSA-N 2 0 348.491 2.533 20 5 EFBDRP COCCC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449110677 477443635 /nfs/dbraw/zinc/44/36/35/477443635.db2.gz FYGCBHVEBHNQNA-OAHLLOKOSA-N 2 0 335.448 2.616 20 5 EFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449159558 477463043 /nfs/dbraw/zinc/46/30/43/477463043.db2.gz HHJMAGLFXXHZAQ-JKSUJKDBSA-N 2 0 347.459 2.616 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321142 477689928 /nfs/dbraw/zinc/68/99/28/477689928.db2.gz CIOPGQBIPJAQGR-LSDHHAIUSA-N 2 0 333.432 2.652 20 5 EFBDRP Cc1c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000420377051 477733557 /nfs/dbraw/zinc/73/35/57/477733557.db2.gz KNKKHNJPYLYAGJ-SJLPKXTDSA-N 2 0 333.432 2.622 20 5 EFBDRP Cc1c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000420395938 477745926 /nfs/dbraw/zinc/74/59/26/477745926.db2.gz UVZWDAXHNCVFJS-FUHWJXTLSA-N 2 0 333.432 2.622 20 5 EFBDRP C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000420406784 477751957 /nfs/dbraw/zinc/75/19/57/477751957.db2.gz OABOVRRSVCXSBF-HIFRSBDPSA-N 2 0 344.415 2.709 20 5 EFBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492619 478914458 /nfs/dbraw/zinc/91/44/58/478914458.db2.gz BWSAPWHULHNEOI-HZPDHXFCSA-N 2 0 333.432 2.685 20 5 EFBDRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000602021171 479142449 /nfs/dbraw/zinc/14/24/49/479142449.db2.gz ODVSLRFRSPMRSH-ZDUSSCGKSA-N 2 0 327.388 2.573 20 5 EFBDRP Cc1c([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000602022066 479143598 /nfs/dbraw/zinc/14/35/98/479143598.db2.gz SWPMNHAWRDXORY-AWEZNQCLSA-N 2 0 341.415 2.881 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599072190 479149453 /nfs/dbraw/zinc/14/94/53/479149453.db2.gz ZWWSWFPWBQCUSJ-CABCVRRESA-N 2 0 348.447 2.633 20 5 EFBDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000602663346 479457010 /nfs/dbraw/zinc/45/70/10/479457010.db2.gz QXSPYWQBLUEYOR-CQSZACIVSA-N 2 0 344.415 2.900 20 5 EFBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000618565408 479493703 /nfs/dbraw/zinc/49/37/03/479493703.db2.gz XPSUZHHWYZCZCO-ZACQAIPSSA-N 2 0 349.479 2.987 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000618565242 479494509 /nfs/dbraw/zinc/49/45/09/479494509.db2.gz JXPVWIVQKMCMKU-DLBZAZTESA-N 2 0 347.463 2.739 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000618565246 479494812 /nfs/dbraw/zinc/49/48/12/479494812.db2.gz JXPVWIVQKMCMKU-IAGOWNOFSA-N 2 0 347.463 2.739 20 5 EFBDRP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589584531 479541485 /nfs/dbraw/zinc/54/14/85/479541485.db2.gz ZDOUQUCGOGJYHS-QWHCGFSZSA-N 2 0 326.400 2.910 20 5 EFBDRP CCC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155024064 520790360 /nfs/dbraw/zinc/79/03/60/520790360.db2.gz UYCMQWZMZOTKRV-CRAIPNDOSA-N 2 0 334.464 2.662 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000121244691 521684411 /nfs/dbraw/zinc/68/44/11/521684411.db2.gz ZBELKFUKEDDLJJ-DOTOQJQBSA-N 2 0 348.491 2.827 20 5 EFBDRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118868482 524050704 /nfs/dbraw/zinc/05/07/04/524050704.db2.gz JKWFNXBXOSTLJV-UHFFFAOYSA-N 2 0 348.447 2.587 20 5 EFBDRP CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[NH2+]CC1 ZINC000414911540 535152261 /nfs/dbraw/zinc/15/22/61/535152261.db2.gz ULGMIMMJZCDZSL-UHFFFAOYSA-N 2 0 329.347 2.676 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765040640 576539455 /nfs/dbraw/zinc/53/94/55/576539455.db2.gz XDJBDPMDUKZKPW-APWZRJJASA-N 2 0 344.459 2.780 20 5 EFBDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843113548 1259894111 /nfs/dbraw/zinc/89/41/11/1259894111.db2.gz WRYLSKAGNIWPSB-NSHDSACASA-N 2 0 342.237 2.918 20 5 EFBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923510261 1261813517 /nfs/dbraw/zinc/81/35/17/1261813517.db2.gz YEIVPBGEMMYBAE-KXBFYZLASA-N 2 0 347.459 2.730 20 5 EFBDRP CC[N+](C)(C)Cc1ccccc1-n1cnc(C)c1CSCC[NH3+] ZINC001168790232 1272280438 /nfs/dbraw/zinc/28/04/38/1272280438.db2.gz FCNZMBCFUXTCRJ-UHFFFAOYSA-N 2 0 333.525 2.969 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998021 1272574657 /nfs/dbraw/zinc/57/46/57/1272574657.db2.gz HGQYVZPSAAIJSK-LEUOFYLZSA-N 2 0 332.448 2.599 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997786 1272574997 /nfs/dbraw/zinc/57/49/97/1272574997.db2.gz FWAKWSTUCXXEAI-XSLAGTTESA-N 2 0 332.448 2.599 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998318 1272575482 /nfs/dbraw/zinc/57/54/82/1272575482.db2.gz LFTHXZQWGRYURE-UOVPBQLFSA-N 2 0 332.448 2.599 20 5 EFBDRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998470 1272575650 /nfs/dbraw/zinc/57/56/50/1272575650.db2.gz NJHKKWFULMIQRF-WBVHZDCISA-N 2 0 335.423 2.607 20 5 EFBDRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039219 1272607349 /nfs/dbraw/zinc/60/73/49/1272607349.db2.gz OAJOVEZSFQMAEG-QYZOEREBSA-N 2 0 331.460 2.886 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001169042830 1272612892 /nfs/dbraw/zinc/61/28/92/1272612892.db2.gz GHPSHNVBYDJWAV-ZRNYENFQSA-N 2 0 343.471 2.886 20 5 EFBDRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C[C@H]3C2)cc1 ZINC001169025155 1272621815 /nfs/dbraw/zinc/62/18/15/1272621815.db2.gz XZKPMQQAQXJLLF-MTQWCTHYSA-N 2 0 343.471 2.804 20 5 EFBDRP C[NH+](C)CCOc1cc(NC(C)(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001169719056 1273120397 /nfs/dbraw/zinc/12/03/97/1273120397.db2.gz UXNBWWXRBAGBSU-UHFFFAOYSA-N 2 0 338.452 2.677 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170317684 1279011673 /nfs/dbraw/zinc/01/16/73/1279011673.db2.gz JJAVVRSBFTYHGX-BPUTZDHNSA-N 2 0 335.448 2.997 20 5 EFBDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960062 1276550399 /nfs/dbraw/zinc/55/03/99/1276550399.db2.gz WXMBSJXEHGFBEP-CRAIPNDOSA-N 2 0 335.448 2.730 20 5 EFBDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818960368 1276550440 /nfs/dbraw/zinc/55/04/40/1276550440.db2.gz YQOQJHCNRSXJOS-YJBOKZPZSA-N 2 0 335.448 2.872 20 5 EFBDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959713 1276560629 /nfs/dbraw/zinc/56/06/29/1276560629.db2.gz RHRJHBVHZWRFSG-YJBOKZPZSA-N 2 0 335.448 2.872 20 5 EFBDRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818969220 1276573309 /nfs/dbraw/zinc/57/33/09/1276573309.db2.gz ASRDUYFDXLAQQL-IBGZPJMESA-N 2 0 343.427 2.870 20 5 EFBDRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819139205 1276626170 /nfs/dbraw/zinc/62/61/70/1276626170.db2.gz BZTCZPXIFDTFNT-IBGZPJMESA-N 2 0 349.475 2.976 20 5 EFBDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000809735311 1282414680 /nfs/dbraw/zinc/41/46/80/1282414680.db2.gz AOBNJZIEWFOSIB-INIZCTEOSA-N 2 0 346.475 2.884 20 5 EFBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001175902280 1287602331 /nfs/dbraw/zinc/60/23/31/1287602331.db2.gz KQCJBBSCVFBCSP-VQHVLOKHSA-N 2 0 339.399 2.824 20 5 EFBDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172921912 1286329878 /nfs/dbraw/zinc/32/98/78/1286329878.db2.gz VPSBRKQKPNQLLX-ZIFCJYIRSA-N 2 0 329.444 2.726 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1F ZINC001173176889 1286452793 /nfs/dbraw/zinc/45/27/93/1286452793.db2.gz NKLSLYNUVXSGEU-GRYCIOLGSA-N 2 0 325.384 2.533 20 5 EFBDRP Cc1c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000873031756 1289530078 /nfs/dbraw/zinc/53/00/78/1289530078.db2.gz YSEFJZWLHQUAKW-UHFFFAOYSA-N 2 0 346.475 2.551 20 5 EFBDRP C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210487 1289646777 /nfs/dbraw/zinc/64/67/77/1289646777.db2.gz HTVJTXACHHRKJL-UHFFFAOYSA-N 2 0 331.441 2.977 20 5 EFBDRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000125522017 1290607283 /nfs/dbraw/zinc/60/72/83/1290607283.db2.gz ODDXGCRKDBXGID-OAHLLOKOSA-N 2 0 335.452 2.725 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000876720294 1290990907 /nfs/dbraw/zinc/99/09/07/1290990907.db2.gz DLZWETHVNJPMIX-UHFFFAOYSA-N 2 0 335.448 2.754 20 5 EFBDRP O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000903751931 1313163467 /nfs/dbraw/zinc/16/34/67/1313163467.db2.gz JMGHTRGNQYBFBJ-SFHVURJKSA-N 2 0 345.443 2.718 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866589406 1303699277 /nfs/dbraw/zinc/69/92/77/1303699277.db2.gz CTJSFZNYGITGSO-MRXNPFEDSA-N 2 0 346.475 2.676 20 5 EFBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001210956124 1314416171 /nfs/dbraw/zinc/41/61/71/1314416171.db2.gz QFLVFRQSLRDODI-UHFFFAOYSA-N 2 0 331.351 2.624 20 5 EFBDRP [NH3+]CCc1cn(-c2nccc3cc([N+](=O)[O-])ccc32)c2cc[nH+]cc12 ZINC001160951604 1311819465 /nfs/dbraw/zinc/81/94/65/1311819465.db2.gz JOCNZULHXDDZPD-UHFFFAOYSA-N 2 0 333.351 2.983 20 5 EFBDRP CN1CCc2c(N[C@@H]3C[NH2+]Cc4ccsc43)ccc([N+](=O)[O-])c2C1 ZINC001163230205 1312269942 /nfs/dbraw/zinc/26/99/42/1312269942.db2.gz NAPMAVWJSVFAEJ-OAHLLOKOSA-N 2 0 344.440 2.901 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC001246090588 1314581780 /nfs/dbraw/zinc/58/17/80/1314581780.db2.gz CAXZFFNVRNKMHP-YCPHGPKFSA-N 2 0 335.448 2.760 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001246090587 1314581841 /nfs/dbraw/zinc/58/18/41/1314581841.db2.gz CAXZFFNVRNKMHP-OFQRWUPVSA-N 2 0 335.448 2.760 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246103902 1314583719 /nfs/dbraw/zinc/58/37/19/1314583719.db2.gz UASVYQZZNWQSKN-KSSFIOAISA-N 2 0 335.448 2.904 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+][C@H]2C)c1F ZINC001246105128 1314583910 /nfs/dbraw/zinc/58/39/10/1314583910.db2.gz ARNCLFWLTKQLPV-AVGNSLFASA-N 2 0 339.411 2.651 20 5 EFBDRP C[C@@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[NH2+]C1 ZINC001246113971 1314584127 /nfs/dbraw/zinc/58/41/27/1314584127.db2.gz OPUYXZWMHMVQKR-GDBMZVCRSA-N 2 0 332.448 2.541 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001246113583 1314584792 /nfs/dbraw/zinc/58/47/92/1314584792.db2.gz UCWVICIWSJFLDR-OFQRWUPVSA-N 2 0 335.448 2.760 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)c1F ZINC001246122606 1314585849 /nfs/dbraw/zinc/58/58/49/1314585849.db2.gz XTHMUTHNXDQCEK-RWMBFGLXSA-N 2 0 339.411 2.509 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246142928 1314589319 /nfs/dbraw/zinc/58/93/19/1314589319.db2.gz CPMZCSFWXYXVNU-ZAWLATJESA-N 2 0 329.444 2.820 20 5 EFBDRP C[C@@]1([NH3+])CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246552467 1314646619 /nfs/dbraw/zinc/64/66/19/1314646619.db2.gz PCLQLTVPBITTNO-GOSISDBHSA-N 2 0 332.448 2.767 20 5 EFBDRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246557966 1314647642 /nfs/dbraw/zinc/64/76/42/1314647642.db2.gz LZOGWASNRSPCIK-WMZOPIPTSA-N 2 0 335.423 2.995 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC001246835828 1314693626 /nfs/dbraw/zinc/69/36/26/1314693626.db2.gz VBUWNHLZZMGRGX-RDTXWAMCSA-N 2 0 347.459 2.998 20 5 EFBDRP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979358 1315267588 /nfs/dbraw/zinc/26/75/88/1315267588.db2.gz FEGPQPNTWDBXAO-AWEZNQCLSA-N 2 0 337.427 2.568 20 5 EFBDRP C[N@H+](CCC[NH+]1CCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479439 1315707968 /nfs/dbraw/zinc/70/79/68/1315707968.db2.gz ZOHHBYWWYUHJES-UHFFFAOYSA-N 2 0 346.475 2.981 20 5 EFBDRP CC[N@H+](C)C1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254482416 1315709103 /nfs/dbraw/zinc/70/91/03/1315709103.db2.gz IZYCAYWJQYPPCS-UHFFFAOYSA-N 2 0 346.475 2.980 20 5 EFBDRP Cc1cc(N2CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc[nH+]1 ZINC001254611031 1315731302 /nfs/dbraw/zinc/73/13/02/1315731302.db2.gz OQPZKANLLDMFEY-LJQANCHMSA-N 2 0 338.411 2.588 20 5 EFBDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC001322121989 1329430367 /nfs/dbraw/zinc/43/03/67/1329430367.db2.gz QVRNRLSJPHUWIU-OWCLPIDISA-N 2 0 335.452 2.597 20 5 EFBDRP [NH3+]CC[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000723685202 714810650 /nfs/dbraw/zinc/81/06/50/714810650.db2.gz CXCCJGGFPNIGJL-JTQLQIEISA-N 2 0 328.210 2.528 20 5 EFBDRP C[N@H+](CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000310571051 717881405 /nfs/dbraw/zinc/88/14/05/717881405.db2.gz QQKLHCQNEHOLHD-LJQANCHMSA-N 2 0 343.427 2.740 20 5 EFBDRP CC(C)[C@@H]1[NH2+]CC12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC001575521827 1088530303 /nfs/dbraw/zinc/53/03/03/1088530303.db2.gz GTMALGIHKRGJFL-KRWDZBQOSA-N 2 0 343.431 2.681 20 5 EFBDRP CCC1([NH3+])CC[NH+]([C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001577230327 1089761985 /nfs/dbraw/zinc/76/19/85/1089761985.db2.gz GPFKOTPBELDKIA-ZDUSSCGKSA-N 2 0 334.420 2.515 20 5 EFBDRP C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001579485625 1090620930 /nfs/dbraw/zinc/62/09/30/1090620930.db2.gz BNWQGBKSTCIJEL-JTQLQIEISA-N 2 0 342.237 2.835 20 5 EFBDRP [NH3+]CC[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000904406748 1107908091 /nfs/dbraw/zinc/90/80/91/1107908091.db2.gz ZIIVPSIFKXNMFA-LBPRGKRZSA-N 2 0 332.429 2.889 20 5 EFBDRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000423415991 283521425 /nfs/dbraw/zinc/52/14/25/283521425.db2.gz BMXYVWFFWMQAGN-FPCVCCKLSA-N 2 0 335.452 2.630 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784479 244349149 /nfs/dbraw/zinc/34/91/49/244349149.db2.gz RIJLTOGWOABSCR-HUUCEWRRSA-N 2 0 333.432 2.815 20 5 EFBDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435384722 248234260 /nfs/dbraw/zinc/23/42/60/248234260.db2.gz NXFIIXUUBJNNDT-UKRRQHHQSA-N 2 0 343.431 2.555 20 5 EFBDRP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435616741 249387242 /nfs/dbraw/zinc/38/72/42/249387242.db2.gz MWBVHYFIMZXBJC-HNNXBMFYSA-N 2 0 344.415 2.866 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441349934 250021779 /nfs/dbraw/zinc/02/17/79/250021779.db2.gz GZFVDDFOCKMGDN-FOWTUZBSSA-N 2 0 346.475 2.614 20 5 EFBDRP Cn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000442902421 250139142 /nfs/dbraw/zinc/13/91/42/250139142.db2.gz SJBYUMARDYWVPW-AWEZNQCLSA-N 2 0 343.431 2.556 20 5 EFBDRP Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000093734991 218245685 /nfs/dbraw/zinc/24/56/85/218245685.db2.gz XTNZHXZIGJLQSH-UHFFFAOYSA-N 2 0 347.459 2.980 20 5 EFBDRP O=[N+]([O-])c1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182962138 141377824 /nfs/dbraw/zinc/37/78/24/141377824.db2.gz SMIQQIYHPAAHGO-UHFFFAOYSA-N 2 0 347.459 2.919 20 5 EFBDRP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000344634261 142052500 /nfs/dbraw/zinc/05/25/00/142052500.db2.gz RYLGQJNBSMBOCD-BBRMVZONSA-N 2 0 343.431 2.568 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000344797232 142079882 /nfs/dbraw/zinc/07/98/82/142079882.db2.gz WEFCMINQLAJZCE-SSZFMOIBSA-N 2 0 346.475 2.614 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344091502 145366033 /nfs/dbraw/zinc/36/60/33/145366033.db2.gz NMZPIYZILKUQMX-WMZOPIPTSA-N 2 0 349.475 2.864 20 5 EFBDRP CC1(C)C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433128526 275867310 /nfs/dbraw/zinc/86/73/10/275867310.db2.gz WZNSYXIKOCGIDA-SFHVURJKSA-N 2 0 347.459 2.611 20 5 EFBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192942283 276335556 /nfs/dbraw/zinc/33/55/56/276335556.db2.gz OMEICZTZLBGARN-FUHWJXTLSA-N 2 0 335.448 2.919 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000121243385 292941242 /nfs/dbraw/zinc/94/12/42/292941242.db2.gz GXGNYFWAQUUKCE-DOTOQJQBSA-N 2 0 348.491 2.827 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132476740 293228870 /nfs/dbraw/zinc/22/88/70/293228870.db2.gz KCWYHOVSSNNFBI-VQIMIIECSA-N 2 0 348.491 2.826 20 5 EFBDRP C[NH+](C)C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153883974 293399276 /nfs/dbraw/zinc/39/92/76/293399276.db2.gz JNXFXNMOXXYPHD-ZDUSSCGKSA-N 2 0 330.388 2.633 20 5 EFBDRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331723075 311412517 /nfs/dbraw/zinc/41/25/17/311412517.db2.gz KTQQMRNGYCKTEY-CVEARBPZSA-N 2 0 335.452 2.597 20 5 EFBDRP Cn1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414998088 312074465 /nfs/dbraw/zinc/07/44/65/312074465.db2.gz HUSGBCQPRQMOHS-CZUORRHYSA-N 2 0 343.431 2.602 20 5 EFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023959 312078757 /nfs/dbraw/zinc/07/87/57/312078757.db2.gz MGOMETWOPVKKRB-KKUMJFAQSA-N 2 0 348.447 2.667 20 5 EFBDRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415038398 312081344 /nfs/dbraw/zinc/08/13/44/312081344.db2.gz NIUXTEUWELPVHB-WCQYABFASA-N 2 0 332.429 2.935 20 5 EFBDRP Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415131516 312099970 /nfs/dbraw/zinc/09/99/70/312099970.db2.gz SNWYIUIYLFTNAE-AEFFLSMTSA-N 2 0 333.432 2.622 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507442037 315485508 /nfs/dbraw/zinc/48/55/08/315485508.db2.gz JRYAOOKQASRNEN-CQSZACIVSA-N 2 0 348.447 2.633 20 5 EFBDRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000525686489 316226953 /nfs/dbraw/zinc/22/69/53/316226953.db2.gz SGAIVWWXRSCFKW-SJORKVTESA-N 2 0 346.475 2.756 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000527288746 316363425 /nfs/dbraw/zinc/36/34/25/316363425.db2.gz LJACKKIVYQQXEL-VKAVYKQESA-N 2 0 346.475 2.615 20 5 EFBDRP CC1(C)CC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000548826233 318147587 /nfs/dbraw/zinc/14/75/87/318147587.db2.gz HNURBWORNFEOLG-UHFFFAOYSA-N 2 0 348.447 2.822 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000565533751 318979886 /nfs/dbraw/zinc/97/98/86/318979886.db2.gz JMYWZAPJGUNTBN-KZNAEPCWSA-N 2 0 333.432 2.874 20 5 EFBDRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000571252364 319554779 /nfs/dbraw/zinc/55/47/79/319554779.db2.gz XVSYLPATBXLAQQ-GJZGRUSLSA-N 2 0 335.452 2.597 20 5 EFBDRP C[C@H](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000578065161 320170197 /nfs/dbraw/zinc/17/01/97/320170197.db2.gz LZZRHFHVVJCKSS-OAHLLOKOSA-N 2 0 348.447 2.778 20 5 EFBDRP CC(C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+]1CCCC1 ZINC000616488885 479924137 /nfs/dbraw/zinc/92/41/37/479924137.db2.gz AGLLYPYJMMAHEQ-UHFFFAOYSA-N 2 0 349.431 2.578 20 5 EFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155632767 472584807 /nfs/dbraw/zinc/58/48/07/472584807.db2.gz AFTKQVLWXCRGPQ-JKSUJKDBSA-N 2 0 334.464 2.580 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000131888727 472698982 /nfs/dbraw/zinc/69/89/82/472698982.db2.gz YFNWSUJBSZQKBF-QGZVFWFLSA-N 2 0 329.356 2.522 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000121243090 472822769 /nfs/dbraw/zinc/82/27/69/472822769.db2.gz GXGNYFWAQUUKCE-RDJZCZTQSA-N 2 0 348.491 2.827 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)C1CC1 ZINC000157626747 472841325 /nfs/dbraw/zinc/84/13/25/472841325.db2.gz GSAMGQGXRXDYNU-ROUUACIJSA-N 2 0 329.444 2.990 20 5 EFBDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000158928799 472979856 /nfs/dbraw/zinc/97/98/56/472979856.db2.gz RRAJGKCFRLNSLH-MRXNPFEDSA-N 2 0 349.479 2.768 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160708491 473164865 /nfs/dbraw/zinc/16/48/65/473164865.db2.gz YFYIZHGJSUNSAJ-NVXWUHKLSA-N 2 0 335.448 2.791 20 5 EFBDRP C[NH+](C)C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000114479122 473472646 /nfs/dbraw/zinc/47/26/46/473472646.db2.gz JUYGNKBOGIBPHI-AWEZNQCLSA-N 2 0 344.415 2.676 20 5 EFBDRP C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768194 473509632 /nfs/dbraw/zinc/50/96/32/473509632.db2.gz BDQAWZBWXVCKFU-OGWOLHLISA-N 2 0 347.459 2.871 20 5 EFBDRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)CC1 ZINC000245535417 473716013 /nfs/dbraw/zinc/71/60/13/473716013.db2.gz WPUMLRQKTOHLLY-SJLPKXTDSA-N 2 0 346.475 2.676 20 5 EFBDRP CC(C)[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000269308329 473768332 /nfs/dbraw/zinc/76/83/32/473768332.db2.gz FFEUXTMNAVQSDC-UHFFFAOYSA-N 2 0 332.448 2.590 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247037327 474043358 /nfs/dbraw/zinc/04/33/58/474043358.db2.gz NZCRWDNZUJUBMG-LPHOPBHVSA-N 2 0 349.475 2.864 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247980197 474237545 /nfs/dbraw/zinc/23/75/45/474237545.db2.gz IFPXBWPUJONTSD-YOEHRIQHSA-N 2 0 333.432 2.910 20 5 EFBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247983857 474239194 /nfs/dbraw/zinc/23/91/94/474239194.db2.gz IQIABLLSYBDPSM-MAUKXSAKSA-N 2 0 333.432 2.780 20 5 EFBDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000270879031 474304415 /nfs/dbraw/zinc/30/44/15/474304415.db2.gz KALWMRPFFRXLAH-UHFFFAOYSA-N 2 0 346.475 2.585 20 5 EFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000337058044 474669816 /nfs/dbraw/zinc/66/98/16/474669816.db2.gz VYGWMDYWVHSOSJ-LSDHHAIUSA-N 2 0 348.447 2.728 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000281375246 475191054 /nfs/dbraw/zinc/19/10/54/475191054.db2.gz OSUDYPUCBFNXPO-UHFFFAOYSA-N 2 0 348.447 2.650 20 5 EFBDRP C[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331723077 475391442 /nfs/dbraw/zinc/39/14/42/475391442.db2.gz KTQQMRNGYCKTEY-HOTGVXAUSA-N 2 0 335.452 2.597 20 5 EFBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000350162101 476075293 /nfs/dbraw/zinc/07/52/93/476075293.db2.gz ZANRHTOOXGRGNC-GOSISDBHSA-N 2 0 335.448 2.570 20 5 EFBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000354095533 476421282 /nfs/dbraw/zinc/42/12/82/476421282.db2.gz CDSVMJVXKFSWLD-KRWDZBQOSA-N 2 0 335.448 2.836 20 5 EFBDRP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422940828 476855850 /nfs/dbraw/zinc/85/58/50/476855850.db2.gz JGLQAYHBQWAQCJ-IEBWSBKVSA-N 2 0 339.395 2.940 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430567377 476862806 /nfs/dbraw/zinc/86/28/06/476862806.db2.gz FKXAWDTXCQEDAK-OAHLLOKOSA-N 2 0 336.436 2.537 20 5 EFBDRP C[C@H]([NH3+])C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430952077 476946918 /nfs/dbraw/zinc/94/69/18/476946918.db2.gz XQTWAMACZIVZQI-ZDUSSCGKSA-N 2 0 344.415 2.852 20 5 EFBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431035554 476965832 /nfs/dbraw/zinc/96/58/32/476965832.db2.gz SUEYAFGNUSVYSC-UHFFFAOYSA-N 2 0 333.432 2.958 20 5 EFBDRP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447591907 477020079 /nfs/dbraw/zinc/02/00/79/477020079.db2.gz GCDAUNURHOWSSP-CVEARBPZSA-N 2 0 349.479 2.987 20 5 EFBDRP C[N@H+](CCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000453388576 477220386 /nfs/dbraw/zinc/22/03/86/477220386.db2.gz BOHWEWOOKZPLQM-HOTGVXAUSA-N 2 0 335.452 2.739 20 5 EFBDRP CSC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000449334137 477552219 /nfs/dbraw/zinc/55/22/19/477552219.db2.gz IKPVSYYQASHIJR-AWEZNQCLSA-N 2 0 337.489 2.943 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420322345 477691971 /nfs/dbraw/zinc/69/19/71/477691971.db2.gz DTRMNOYCEOWZSD-OLZOCXBDSA-N 2 0 330.388 2.558 20 5 EFBDRP CCOc1cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000516875860 478002950 /nfs/dbraw/zinc/00/29/50/478002950.db2.gz YLIQGMUKNFWZLQ-CQSZACIVSA-N 2 0 330.388 2.717 20 5 EFBDRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000570632977 478403408 /nfs/dbraw/zinc/40/34/08/478403408.db2.gz OQZWZSBUORSPOK-HZPDHXFCSA-N 2 0 329.404 2.524 20 5 EFBDRP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000594734734 478520274 /nfs/dbraw/zinc/52/02/74/478520274.db2.gz DBWQEVUXEAZLKM-MRXNPFEDSA-N 2 0 333.432 2.815 20 5 EFBDRP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000594734732 478521122 /nfs/dbraw/zinc/52/11/22/478521122.db2.gz DBWQEVUXEAZLKM-INIZCTEOSA-N 2 0 333.432 2.815 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000594969892 478611396 /nfs/dbraw/zinc/61/13/96/478611396.db2.gz SFMGLUPYPPWZLR-UHFFFAOYSA-N 2 0 340.427 2.992 20 5 EFBDRP Cc1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc1[N+](=O)[O-] ZINC000601068658 478639726 /nfs/dbraw/zinc/63/97/26/478639726.db2.gz OXBDCFJTGGNOPV-UHFFFAOYSA-N 2 0 341.415 2.662 20 5 EFBDRP Cn1cc(C[NH+]2CCC(CC[NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000572005969 478728153 /nfs/dbraw/zinc/72/81/53/478728153.db2.gz VMOXHGSKCOWYEH-UHFFFAOYSA-N 2 0 343.431 2.556 20 5 EFBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492620 478913699 /nfs/dbraw/zinc/91/36/99/478913699.db2.gz BWSAPWHULHNEOI-JKSUJKDBSA-N 2 0 333.432 2.685 20 5 EFBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492571 478914306 /nfs/dbraw/zinc/91/43/06/478914306.db2.gz AVDHZQCHPPGFNA-CABCVRRESA-N 2 0 333.432 2.815 20 5 EFBDRP Cc1c([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000610798716 479192739 /nfs/dbraw/zinc/19/27/39/479192739.db2.gz UWXYJHVDDKTJNE-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000610817550 479196677 /nfs/dbraw/zinc/19/66/77/479196677.db2.gz WONVXBRKIFBBTH-CVEARBPZSA-N 2 0 346.475 2.722 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000610817552 479196843 /nfs/dbraw/zinc/19/68/43/479196843.db2.gz WONVXBRKIFBBTH-HZPDHXFCSA-N 2 0 346.475 2.722 20 5 EFBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314700 479290035 /nfs/dbraw/zinc/29/00/35/479290035.db2.gz FYNMSUIBBRAYKV-SLOQJRHKSA-N 2 0 345.443 2.826 20 5 EFBDRP CC[NH+]1CCC(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602559490 479396586 /nfs/dbraw/zinc/39/65/86/479396586.db2.gz UMLGDQAUPGDPHJ-UHFFFAOYSA-N 2 0 332.404 2.948 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593735701 479439173 /nfs/dbraw/zinc/43/91/73/479439173.db2.gz ZBMWPIJSWJZRON-CXAGYDPISA-N 2 0 348.447 2.681 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736217 479439497 /nfs/dbraw/zinc/43/94/97/479439497.db2.gz JRZPYWFBEDSURK-BASYENTBSA-N 2 0 333.432 2.874 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000615722600 479744411 /nfs/dbraw/zinc/74/44/11/479744411.db2.gz QNOCSWZZXGOWHV-FOWTUZBSSA-N 2 0 346.475 2.614 20 5 EFBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000154262745 521681974 /nfs/dbraw/zinc/68/19/74/521681974.db2.gz DYKZMNOAPHBTQL-INIZCTEOSA-N 2 0 334.464 2.581 20 5 EFBDRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000261997241 521984429 /nfs/dbraw/zinc/98/44/29/521984429.db2.gz OBKWSXLIRSMAQL-UHFFFAOYSA-N 2 0 348.447 2.553 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000150974805 525892017 /nfs/dbraw/zinc/89/20/17/525892017.db2.gz FAHBGZIWQJDEIT-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000132363792 528464931 /nfs/dbraw/zinc/46/49/31/528464931.db2.gz JDOOZNHFMWSTFB-MAUKXSAKSA-N 2 0 334.464 2.517 20 5 EFBDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000132351126 528465421 /nfs/dbraw/zinc/46/54/21/528465421.db2.gz DJJLJIWLMYIKRH-MAUKXSAKSA-N 2 0 334.464 2.517 20 5 EFBDRP CC(C)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000132351727 529016463 /nfs/dbraw/zinc/01/64/63/529016463.db2.gz DJJLJIWLMYIKRH-QAPCUYQASA-N 2 0 334.464 2.517 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001168967515 1272559563 /nfs/dbraw/zinc/55/95/63/1272559563.db2.gz QHWKXTDOHZHLFQ-QRVBRYPASA-N 2 0 331.460 2.934 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC001168968167 1272561076 /nfs/dbraw/zinc/56/10/76/1272561076.db2.gz XEQHIDMICOIQKQ-OUUBHVDSSA-N 2 0 343.471 2.932 20 5 EFBDRP CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170298018 1278980791 /nfs/dbraw/zinc/98/07/91/1278980791.db2.gz YGTWFYJYLOOJHZ-AWEZNQCLSA-N 2 0 335.448 2.998 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170317686 1279011191 /nfs/dbraw/zinc/01/11/91/1279011191.db2.gz JJAVVRSBFTYHGX-IMJJTQAJSA-N 2 0 335.448 2.997 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170317687 1279012177 /nfs/dbraw/zinc/01/21/77/1279012177.db2.gz JJAVVRSBFTYHGX-NUEKZKHPSA-N 2 0 335.448 2.997 20 5 EFBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000819050599 1276580926 /nfs/dbraw/zinc/58/09/26/1276580926.db2.gz UDMUVOYRUNIGQN-GOSISDBHSA-N 2 0 335.448 2.874 20 5 EFBDRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819139206 1276625603 /nfs/dbraw/zinc/62/56/03/1276625603.db2.gz BZTCZPXIFDTFNT-LJQANCHMSA-N 2 0 349.475 2.976 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c1F ZINC001173175283 1286451524 /nfs/dbraw/zinc/45/15/24/1286451524.db2.gz BKGIXMZUIOAZIO-CHWSQXEVSA-N 2 0 339.411 2.747 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1F ZINC001173176890 1286452234 /nfs/dbraw/zinc/45/22/34/1286452234.db2.gz NKLSLYNUVXSGEU-SDDRHHMPSA-N 2 0 325.384 2.533 20 5 EFBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001173226685 1286481719 /nfs/dbraw/zinc/48/17/19/1286481719.db2.gz YQZULHOUPXWYDF-KBAYOESNSA-N 2 0 347.459 2.759 20 5 EFBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001173226701 1286482151 /nfs/dbraw/zinc/48/21/51/1286482151.db2.gz YQZULHOUPXWYDF-SZMVWBNQSA-N 2 0 347.459 2.759 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000873290465 1289705120 /nfs/dbraw/zinc/70/51/20/1289705120.db2.gz DZIPQLMBVXBPKP-CABCVRRESA-N 2 0 333.432 2.713 20 5 EFBDRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000887135236 1295287683 /nfs/dbraw/zinc/28/76/83/1295287683.db2.gz YWHKXZFYHIRWGG-CYBMUJFWSA-N 2 0 330.363 2.840 20 5 EFBDRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776599241 1299708183 /nfs/dbraw/zinc/70/81/83/1299708183.db2.gz YVQCGTOKTIZELU-SFHVURJKSA-N 2 0 335.448 2.682 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2([NH3+])CCCC2)c1F ZINC001246074426 1314580585 /nfs/dbraw/zinc/58/05/85/1314580585.db2.gz DFSMVOPGKPDQMI-LLVKDONJSA-N 2 0 325.384 2.535 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC001246090586 1314582031 /nfs/dbraw/zinc/58/20/31/1314582031.db2.gz CAXZFFNVRNKMHP-IJEWVQPXSA-N 2 0 335.448 2.760 20 5 EFBDRP C[C@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC001246095561 1314582999 /nfs/dbraw/zinc/58/29/99/1314582999.db2.gz KYTZKEFBXXSYGZ-GJZGRUSLSA-N 2 0 332.448 2.541 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@]2(C)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246103894 1314583173 /nfs/dbraw/zinc/58/31/73/1314583173.db2.gz UASVYQZZNWQSKN-KBXCAEBGSA-N 2 0 335.448 2.904 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+][C@@H]2C)c1F ZINC001246105136 1314583708 /nfs/dbraw/zinc/58/37/08/1314583708.db2.gz ARNCLFWLTKQLPV-YNEHKIRRSA-N 2 0 339.411 2.651 20 5 EFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001246109352 1314584677 /nfs/dbraw/zinc/58/46/77/1314584677.db2.gz OCZGRLQKWSIQSY-CQSZACIVSA-N 2 0 325.412 2.961 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)C1 ZINC001246397275 1314623153 /nfs/dbraw/zinc/62/31/53/1314623153.db2.gz BVMZUDLBGHFKDN-JEBQAFNWSA-N 2 0 335.423 2.901 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246401478 1314624261 /nfs/dbraw/zinc/62/42/61/1314624261.db2.gz SYXXTTPZCNRIIJ-DDUZABMNSA-N 2 0 335.423 2.901 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001246567500 1314648711 /nfs/dbraw/zinc/64/87/11/1314648711.db2.gz LGPJMKUZELHLBX-YCPHGPKFSA-N 2 0 335.448 2.841 20 5 EFBDRP Cc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001214169493 1314653498 /nfs/dbraw/zinc/65/34/98/1314653498.db2.gz PKPGNSNJCOMATD-UHFFFAOYSA-N 2 0 327.388 2.794 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609866 1314657632 /nfs/dbraw/zinc/65/76/32/1314657632.db2.gz OXTCQSJZMRVLBC-IEBWSBKVSA-N 2 0 329.444 2.918 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)CC2)cc1 ZINC001247016413 1314731247 /nfs/dbraw/zinc/73/12/47/1314731247.db2.gz UXTBZYXKSXKIHP-BEFAXECRSA-N 2 0 344.459 2.638 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)CC2 ZINC001247017141 1314731391 /nfs/dbraw/zinc/73/13/91/1314731391.db2.gz ZWEUVOGIUOTLTP-SCTDSRPQSA-N 2 0 329.444 2.916 20 5 EFBDRP [NH2+]=c1ccc2nc3c(cc(NC(=O)C4([NH3+])CC4)c4ccccc43)oc-2c1 ZINC001219369807 1315306048 /nfs/dbraw/zinc/30/60/48/1315306048.db2.gz QBEAIISHFPURQN-UHFFFAOYSA-N 2 0 344.374 2.995 20 5 EFBDRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219916275 1315356413 /nfs/dbraw/zinc/35/64/13/1315356413.db2.gz PWGWCDRRGMIHKQ-BTYIYWSLSA-N 2 0 349.478 2.929 20 5 EFBDRP C[N@@H+]1CC[C@]2(CC[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)C1 ZINC001254480621 1315708144 /nfs/dbraw/zinc/70/81/44/1315708144.db2.gz JBUQVBZFBLQYHV-IBGZPJMESA-N 2 0 344.459 2.591 20 5 EFBDRP C[NH+](C)Cc1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577032 1315726555 /nfs/dbraw/zinc/72/65/55/1315726555.db2.gz BNQIEOYDGYZZCL-IBGZPJMESA-N 2 0 339.439 2.956 20 5 EFBDRP Cc1cc(N2CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc[nH+]1 ZINC001254611030 1315731181 /nfs/dbraw/zinc/73/11/81/1315731181.db2.gz OQPZKANLLDMFEY-IBGZPJMESA-N 2 0 338.411 2.588 20 5 EFBDRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000261978341 714314239 /nfs/dbraw/zinc/31/42/39/714314239.db2.gz GXEGSRKGMPUFKN-UHFFFAOYSA-N 2 0 348.447 2.553 20 5 EFBDRP CC(C)[N@H+](C)CC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738091191 723549609 /nfs/dbraw/zinc/54/96/09/723549609.db2.gz WTBQACADMXJBIV-UHFFFAOYSA-N 2 0 345.447 2.954 20 5 EFBDRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[NH2+]2 ZINC001576588108 1089339440 /nfs/dbraw/zinc/33/94/40/1089339440.db2.gz PXDYMEDQSCUJLQ-ALQDCCJHSA-N 2 0 344.459 2.682 20 5 EFBDRP COc1c(O)ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001579136728 1090522672 /nfs/dbraw/zinc/52/26/72/1090522672.db2.gz QBBBNLJPZOGRHC-CQSZACIVSA-N 2 0 349.431 2.521 20 5 EFBDRP C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001579414513 1090609294 /nfs/dbraw/zinc/60/92/94/1090609294.db2.gz BNWQGBKSTCIJEL-SNVBAGLBSA-N 2 0 342.237 2.835 20 5 EFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173957527 231080664 /nfs/dbraw/zinc/08/06/64/231080664.db2.gz CNHCVLRCMXEECH-UHFFFAOYSA-N 2 0 347.459 2.714 20 5 EFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192670595 240056824 /nfs/dbraw/zinc/05/68/24/240056824.db2.gz NWEUXLGLMKSUBY-BEFAXECRSA-N 2 0 346.475 2.588 20 5 EFBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000414855965 244371498 /nfs/dbraw/zinc/37/14/98/244371498.db2.gz XTGKBKYJXIXMAY-NSHDSACASA-N 2 0 329.347 2.676 20 5 EFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421377558 245953016 /nfs/dbraw/zinc/95/30/16/245953016.db2.gz SWLDTVIFIUSOHZ-VQCLRJIVSA-N 2 0 348.447 2.774 20 5 EFBDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160247593 206286479 /nfs/dbraw/zinc/28/64/79/206286479.db2.gz DIXNONUKARKYDT-SFHVURJKSA-N 2 0 334.464 2.662 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000345043605 533409033 /nfs/dbraw/zinc/40/90/33/533409033.db2.gz JCUNKHGPZDOXDX-DTQAZKPQSA-N 2 0 346.475 2.614 20 5 EFBDRP [NH3+]CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000359287646 148046469 /nfs/dbraw/zinc/04/64/69/148046469.db2.gz YNULUSMLWDUUMQ-UHFFFAOYSA-N 2 0 329.400 2.825 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363874110 149025425 /nfs/dbraw/zinc/02/54/25/149025425.db2.gz HAQPIFVNTWDZPZ-LJQANCHMSA-N 2 0 346.475 2.504 20 5 EFBDRP CC(C)c1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000185873510 265051329 /nfs/dbraw/zinc/05/13/29/265051329.db2.gz RPDJMJVAKITYNI-INIZCTEOSA-N 2 0 348.491 2.834 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277385586 267169459 /nfs/dbraw/zinc/16/94/59/267169459.db2.gz YNNOOLPXVCDBIA-OAHLLOKOSA-N 2 0 348.447 2.648 20 5 EFBDRP CC1CC[NH+](CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518595 276196928 /nfs/dbraw/zinc/19/69/28/276196928.db2.gz OCBILSNGIVTKRB-IRXDYDNUSA-N 2 0 349.479 2.987 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000121243237 292941229 /nfs/dbraw/zinc/94/12/29/292941229.db2.gz GXGNYFWAQUUKCE-WBVHZDCISA-N 2 0 348.491 2.827 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132476301 293228856 /nfs/dbraw/zinc/22/88/56/293228856.db2.gz KCWYHOVSSNNFBI-APWZRJJASA-N 2 0 348.491 2.826 20 5 EFBDRP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000290444114 294088725 /nfs/dbraw/zinc/08/87/25/294088725.db2.gz LZNFPZDGQPPRTK-INIZCTEOSA-N 2 0 333.432 2.767 20 5 EFBDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415006845 312076295 /nfs/dbraw/zinc/07/62/95/312076295.db2.gz ANUQPZHNXIXLNQ-ZDUSSCGKSA-N 2 0 331.420 2.602 20 5 EFBDRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415123064 312098140 /nfs/dbraw/zinc/09/81/40/312098140.db2.gz KSOZZKCDSUVXEV-FUHWJXTLSA-N 2 0 333.432 2.622 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)CCCC2 ZINC000417315577 312208181 /nfs/dbraw/zinc/20/81/81/312208181.db2.gz SKKKPENZDRJBQC-IBGZPJMESA-N 2 0 347.459 2.656 20 5 EFBDRP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423460908 312420708 /nfs/dbraw/zinc/42/07/08/312420708.db2.gz BSIRZXZZPDBRHB-UKPHBRMFSA-N 2 0 343.431 2.525 20 5 EFBDRP [NH3+]CCC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000565096232 318932646 /nfs/dbraw/zinc/93/26/46/318932646.db2.gz LQXKTJZVTUEDMU-UHFFFAOYSA-N 2 0 344.415 2.853 20 5 EFBDRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154283764 472410748 /nfs/dbraw/zinc/41/07/48/472410748.db2.gz BTCLXLFOTKFKJQ-GOSISDBHSA-N 2 0 334.464 2.663 20 5 EFBDRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000132364188 472730206 /nfs/dbraw/zinc/73/02/06/472730206.db2.gz JDOOZNHFMWSTFB-CRAIPNDOSA-N 2 0 334.464 2.517 20 5 EFBDRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000132363976 472730238 /nfs/dbraw/zinc/73/02/38/472730238.db2.gz JDOOZNHFMWSTFB-YJBOKZPZSA-N 2 0 334.464 2.517 20 5 EFBDRP C[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163891563 473470472 /nfs/dbraw/zinc/47/04/72/473470472.db2.gz PRKXVKUWPBCPAI-PWSUYJOCSA-N 2 0 342.237 2.774 20 5 EFBDRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173387904 473823145 /nfs/dbraw/zinc/82/31/45/473823145.db2.gz AAPIRAORQNUTDW-HNNXBMFYSA-N 2 0 334.464 2.519 20 5 EFBDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000263739047 473829167 /nfs/dbraw/zinc/82/91/67/473829167.db2.gz NEAHHEQMGTVEJE-HZPDHXFCSA-N 2 0 347.459 2.916 20 5 EFBDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000282287094 474009536 /nfs/dbraw/zinc/00/95/36/474009536.db2.gz LKWRPMDYSMNCJV-GOSISDBHSA-N 2 0 346.475 2.588 20 5 EFBDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)CC1 ZINC000182766930 474251817 /nfs/dbraw/zinc/25/18/17/474251817.db2.gz WPUMLRQKTOHLLY-WMZOPIPTSA-N 2 0 346.475 2.676 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000182943759 474292457 /nfs/dbraw/zinc/29/24/57/474292457.db2.gz ISXWYTNTIHPUCV-MRXNPFEDSA-N 2 0 348.491 2.922 20 5 EFBDRP CS[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000340783293 474663995 /nfs/dbraw/zinc/66/39/95/474663995.db2.gz QWCMRAFGXJEUFG-SJORKVTESA-N 2 0 346.456 2.933 20 5 EFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000337058040 474670834 /nfs/dbraw/zinc/67/08/34/474670834.db2.gz VYGWMDYWVHSOSJ-CABCVRRESA-N 2 0 348.447 2.728 20 5 EFBDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000252696058 474708660 /nfs/dbraw/zinc/70/86/60/474708660.db2.gz LSFUYZMKFXIRAQ-ROUUACIJSA-N 2 0 335.448 2.872 20 5 EFBDRP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000323884927 474956790 /nfs/dbraw/zinc/95/67/90/474956790.db2.gz VKTOYSQUIUZGJF-QGZVFWFLSA-N 2 0 334.464 2.662 20 5 EFBDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000268408305 474962846 /nfs/dbraw/zinc/96/28/46/474962846.db2.gz GTKJSHWDAGSCLM-UHFFFAOYSA-N 2 0 341.839 2.573 20 5 EFBDRP Cc1cc(NC[C@]2([NH+](C)C)CCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340769779 476262238 /nfs/dbraw/zinc/26/22/38/476262238.db2.gz DACNKSPFJDNELD-QGZVFWFLSA-N 2 0 346.456 2.723 20 5 EFBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000363028478 476534525 /nfs/dbraw/zinc/53/45/25/476534525.db2.gz RTXFAANAEXUEQN-UHFFFAOYSA-N 2 0 347.459 2.572 20 5 EFBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000422640279 476728185 /nfs/dbraw/zinc/72/81/85/476728185.db2.gz VJASVBAULHKGKC-IPYPFGDCSA-N 2 0 348.447 2.537 20 5 EFBDRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422942442 476857552 /nfs/dbraw/zinc/85/75/52/476857552.db2.gz KFKBFIOHBIDSNL-KBPBESRZSA-N 2 0 349.431 2.567 20 5 EFBDRP COc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1[N+](=O)[O-] ZINC000422949324 476860809 /nfs/dbraw/zinc/86/08/09/476860809.db2.gz VABSCDAPZKRCMJ-LLVKDONJSA-N 2 0 330.388 2.616 20 5 EFBDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430600977 476878327 /nfs/dbraw/zinc/87/83/27/476878327.db2.gz SPASXTYZIDVVAA-UKRRQHHQSA-N 2 0 344.415 2.852 20 5 EFBDRP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414952849 476899703 /nfs/dbraw/zinc/89/97/03/476899703.db2.gz ISIFZXTUOHRAIQ-SZVBFZGTSA-N 2 0 347.459 2.664 20 5 EFBDRP Cc1c([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370635770 476907077 /nfs/dbraw/zinc/90/70/77/476907077.db2.gz PZQJMHSCQNFIJE-CVEARBPZSA-N 2 0 346.475 2.722 20 5 EFBDRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000370638466 476908222 /nfs/dbraw/zinc/90/82/22/476908222.db2.gz XSAXOPVZJUNRJU-VQIMIIECSA-N 2 0 346.475 2.804 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370637365 476908467 /nfs/dbraw/zinc/90/84/67/476908467.db2.gz URGGWKALYIMKCH-RDJZCZTQSA-N 2 0 346.475 2.722 20 5 EFBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420297832 477671536 /nfs/dbraw/zinc/67/15/36/477671536.db2.gz GHIPTBHHWGHRBD-HNNXBMFYSA-N 2 0 333.432 2.828 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321138 477691139 /nfs/dbraw/zinc/69/11/39/477691139.db2.gz CIOPGQBIPJAQGR-HUUCEWRRSA-N 2 0 333.432 2.652 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420322346 477692962 /nfs/dbraw/zinc/69/29/62/477692962.db2.gz DTRMNOYCEOWZSD-QWHCGFSZSA-N 2 0 330.388 2.558 20 5 EFBDRP Cc1c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000420377048 477732578 /nfs/dbraw/zinc/73/25/78/477732578.db2.gz KNKKHNJPYLYAGJ-FUHWJXTLSA-N 2 0 333.432 2.622 20 5 EFBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000562988286 478404202 /nfs/dbraw/zinc/40/42/02/478404202.db2.gz XLRUHKLADOHOLR-OAHLLOKOSA-N 2 0 348.447 2.633 20 5 EFBDRP O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cnccc1-n1ccnc1 ZINC000491862855 478712522 /nfs/dbraw/zinc/71/25/22/478712522.db2.gz XLTYLWBQMXYOFU-AATRIKPKSA-N 2 0 335.323 2.827 20 5 EFBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492572 478913736 /nfs/dbraw/zinc/91/37/36/478913736.db2.gz AVDHZQCHPPGFNA-GJZGRUSLSA-N 2 0 333.432 2.815 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592493394 478913830 /nfs/dbraw/zinc/91/38/30/478913830.db2.gz OIYGJVUSXNNJJU-HZPDHXFCSA-N 2 0 333.432 2.685 20 5 EFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000584113100 479018524 /nfs/dbraw/zinc/01/85/24/479018524.db2.gz AAIBGYDQLQMIQV-ZDUSSCGKSA-N 2 0 342.399 2.560 20 5 EFBDRP CC[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000602021167 479141053 /nfs/dbraw/zinc/14/10/53/479141053.db2.gz NSIWPEYADAXPMF-KRWDZBQOSA-N 2 0 341.415 2.963 20 5 EFBDRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593315944 479289858 /nfs/dbraw/zinc/28/98/58/479289858.db2.gz MQTUESYXOCPDKU-XYJFISCASA-N 2 0 333.432 2.622 20 5 EFBDRP C[NH+](C)CCC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611264068 479329084 /nfs/dbraw/zinc/32/90/84/479329084.db2.gz YGLWNWPJUSEIMU-UHFFFAOYSA-N 2 0 349.431 2.530 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593735702 479439767 /nfs/dbraw/zinc/43/97/67/479439767.db2.gz ZBMWPIJSWJZRON-DYVFJYSZSA-N 2 0 348.447 2.681 20 5 EFBDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000602663344 479457482 /nfs/dbraw/zinc/45/74/82/479457482.db2.gz QXSPYWQBLUEYOR-AWEZNQCLSA-N 2 0 344.415 2.900 20 5 EFBDRP CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000602916520 479628702 /nfs/dbraw/zinc/62/87/02/479628702.db2.gz GTTWDWNXHZVBLI-UHFFFAOYSA-N 2 0 345.447 2.683 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000615721233 479743562 /nfs/dbraw/zinc/74/35/62/479743562.db2.gz FUHCGLMXSCMPKB-VKAVYKQESA-N 2 0 346.475 2.615 20 5 EFBDRP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150831345 527370631 /nfs/dbraw/zinc/37/06/31/527370631.db2.gz IUKSDMPVBZHGSB-INIZCTEOSA-N 2 0 333.432 2.781 20 5 EFBDRP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150831313 527371793 /nfs/dbraw/zinc/37/17/93/527371793.db2.gz IUKSDMPVBZHGSB-MRXNPFEDSA-N 2 0 333.432 2.781 20 5 EFBDRP CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435613635 535706161 /nfs/dbraw/zinc/70/61/61/535706161.db2.gz BRVYDHLKLKOVRO-OAHLLOKOSA-N 2 0 348.447 2.696 20 5 EFBDRP [NH3+]Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000843128628 1261132969 /nfs/dbraw/zinc/13/29/69/1261132969.db2.gz NANREPGDIJQMKG-UHFFFAOYSA-N 2 0 340.427 2.812 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC001168968168 1272560796 /nfs/dbraw/zinc/56/07/96/1272560796.db2.gz XEQHIDMICOIQKQ-SWBPCFCJSA-N 2 0 343.471 2.932 20 5 EFBDRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039218 1272608210 /nfs/dbraw/zinc/60/82/10/1272608210.db2.gz OAJOVEZSFQMAEG-GBESFXJTSA-N 2 0 331.460 2.886 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001169042829 1272612427 /nfs/dbraw/zinc/61/24/27/1272612427.db2.gz GHPSHNVBYDJWAV-WTGUMLROSA-N 2 0 343.471 2.886 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170298378 1278980828 /nfs/dbraw/zinc/98/08/28/1278980828.db2.gz KMKHGXNKEZMFGJ-CQSZACIVSA-N 2 0 335.448 2.856 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]CC23CC[NH+](CC2)CC3)c([N+](=O)[O-])c1 ZINC001170305658 1278991919 /nfs/dbraw/zinc/99/19/19/1278991919.db2.gz OTSVNBNHKAHQLV-CQSZACIVSA-N 2 0 333.432 2.610 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170315333 1279010267 /nfs/dbraw/zinc/01/02/67/1279010267.db2.gz XETSCPNUYZUTTG-ZDUSSCGKSA-N 2 0 329.400 2.783 20 5 EFBDRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817950730 1276396066 /nfs/dbraw/zinc/39/60/66/1276396066.db2.gz ZQFUJZVIMPCLNZ-IAGOWNOFSA-N 2 0 343.431 2.566 20 5 EFBDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818962277 1276551022 /nfs/dbraw/zinc/55/10/22/1276551022.db2.gz ZTXYIUPKTMJOOP-GPMSIDNRSA-N 2 0 349.475 2.976 20 5 EFBDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818962278 1276551460 /nfs/dbraw/zinc/55/14/60/1276551460.db2.gz ZTXYIUPKTMJOOP-JTDSTZFVSA-N 2 0 349.475 2.976 20 5 EFBDRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818959382 1276559885 /nfs/dbraw/zinc/55/98/85/1276559885.db2.gz JATLQGZPNHJAOU-GOSISDBHSA-N 2 0 335.448 2.730 20 5 EFBDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959711 1276559897 /nfs/dbraw/zinc/55/98/97/1276559897.db2.gz RHRJHBVHZWRFSG-MAUKXSAKSA-N 2 0 335.448 2.872 20 5 EFBDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959839 1276559961 /nfs/dbraw/zinc/55/99/61/1276559961.db2.gz USAJXANMPXPESC-QAPCUYQASA-N 2 0 335.448 2.730 20 5 EFBDRP COc1ccc(C[C@H](C)[NH+]2CC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC001170352046 1279059625 /nfs/dbraw/zinc/05/96/25/1279059625.db2.gz KGHWPQOGUYGGNI-AWEZNQCLSA-N 2 0 333.432 2.562 20 5 EFBDRP C[NH+]1CC2(C1)CC[NH+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172922161 1286329647 /nfs/dbraw/zinc/32/96/47/1286329647.db2.gz WNKVKWFRLQNSNE-KRWDZBQOSA-N 2 0 329.444 2.870 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCC[NH+](C)C)c1F ZINC001173175308 1286451637 /nfs/dbraw/zinc/45/16/37/1286451637.db2.gz MXFQWJAIIGFOMD-GFCCVEGCSA-N 2 0 327.400 2.605 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1F ZINC001173190010 1286457616 /nfs/dbraw/zinc/45/76/16/1286457616.db2.gz TXJPRKVOTUFHSV-LBPRGKRZSA-N 2 0 341.427 2.851 20 5 EFBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001173226648 1286482223 /nfs/dbraw/zinc/48/22/23/1286482223.db2.gz NEBBKEBJVFHTOK-HNNXBMFYSA-N 2 0 326.400 2.743 20 5 EFBDRP Cc1c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873054928 1289542485 /nfs/dbraw/zinc/54/24/85/1289542485.db2.gz AULCUFQCEFZMJQ-GASCZTMLSA-N 2 0 335.448 2.882 20 5 EFBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292707 1289707859 /nfs/dbraw/zinc/70/78/59/1289707859.db2.gz VAKADUWIPQNUDA-NVXWUHKLSA-N 2 0 347.459 2.664 20 5 EFBDRP CC1(C)[C@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000883443057 1293595676 /nfs/dbraw/zinc/59/56/76/1293595676.db2.gz ZCGATAQQKMTURY-NWDGAFQWSA-N 2 0 328.210 2.573 20 5 EFBDRP [NH3+]CC[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000903789091 1313216161 /nfs/dbraw/zinc/21/61/61/1313216161.db2.gz UKLZVFXBAVBOTG-JTQLQIEISA-N 2 0 328.210 2.528 20 5 EFBDRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776599240 1299707954 /nfs/dbraw/zinc/70/79/54/1299707954.db2.gz YVQCGTOKTIZELU-GOSISDBHSA-N 2 0 335.448 2.682 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000902484324 1311785978 /nfs/dbraw/zinc/78/59/78/1311785978.db2.gz VOHMPLKOVNBHEM-MRXNPFEDSA-N 2 0 332.448 2.685 20 5 EFBDRP [NH3+]CCc1cn(-c2ccc3c(cccc3[N+](=O)[O-])n2)c2cc[nH+]cc12 ZINC001160945490 1311817477 /nfs/dbraw/zinc/81/74/77/1311817477.db2.gz BRGJLDXRQBGSMU-UHFFFAOYSA-N 2 0 333.351 2.983 20 5 EFBDRP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246112525 1314584076 /nfs/dbraw/zinc/58/40/76/1314584076.db2.gz QNXOPBOWVJCKEB-LSDHHAIUSA-N 2 0 332.448 2.541 20 5 EFBDRP C[C@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[NH2+]C1 ZINC001246113972 1314584446 /nfs/dbraw/zinc/58/44/46/1314584446.db2.gz OPUYXZWMHMVQKR-GOEBONIOSA-N 2 0 332.448 2.541 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246564056 1314649322 /nfs/dbraw/zinc/64/93/22/1314649322.db2.gz YSILMZXWPOEOCZ-IJEWVQPXSA-N 2 0 335.448 2.841 20 5 EFBDRP COc1ccc(C[C@@H](C)[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c([N+](=O)[O-])c1 ZINC001246971898 1314718369 /nfs/dbraw/zinc/71/83/69/1314718369.db2.gz IUBWDKLOAORFIY-CABCVRRESA-N 2 0 347.459 2.998 20 5 EFBDRP COc1ccc(C[C@H](C)[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c([N+](=O)[O-])c1 ZINC001246971901 1314719260 /nfs/dbraw/zinc/71/92/60/1314719260.db2.gz IUBWDKLOAORFIY-GJZGRUSLSA-N 2 0 347.459 2.998 20 5 EFBDRP COc1ccc(C[C@H](C)[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c([N+](=O)[O-])c1 ZINC001246971909 1314720131 /nfs/dbraw/zinc/72/01/31/1314720131.db2.gz IUBWDKLOAORFIY-LSDHHAIUSA-N 2 0 347.459 2.998 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccncc3)CC2)cc1 ZINC001254476101 1315707358 /nfs/dbraw/zinc/70/73/58/1315707358.db2.gz MADIEZKXIDIPRC-UHFFFAOYSA-N 2 0 342.399 2.627 20 5 EFBDRP C[N@@H+]1CC[C@@]2(CC[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)C1 ZINC001254480623 1315708342 /nfs/dbraw/zinc/70/83/42/1315708342.db2.gz JBUQVBZFBLQYHV-LJQANCHMSA-N 2 0 344.459 2.591 20 5 EFBDRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572506 1315725962 /nfs/dbraw/zinc/72/59/62/1315725962.db2.gz PDWLSBGIZQBGMY-GOSISDBHSA-N 2 0 325.412 2.913 20 5 EFBDRP C[NH+](C)Cc1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254577033 1315726699 /nfs/dbraw/zinc/72/66/99/1315726699.db2.gz BNQIEOYDGYZZCL-LJQANCHMSA-N 2 0 339.439 2.956 20 5 EFBDRP C[N@H+](CC1CC[NH+](C)CC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103461860 719476658 /nfs/dbraw/zinc/47/66/58/719476658.db2.gz UOQPRSNYXSNEIW-UHFFFAOYSA-N 2 0 343.431 2.689 20 5 EFBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262063307 722865273 /nfs/dbraw/zinc/86/52/73/722865273.db2.gz RJXFDLFBDJBIGG-UHFFFAOYSA-N 2 0 341.358 2.772 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001574981063 1088185599 /nfs/dbraw/zinc/18/55/99/1088185599.db2.gz ZGTQTIQGPSJSMT-YHTSIIMFSA-N 2 0 345.443 2.828 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001579735113 1090674209 /nfs/dbraw/zinc/67/42/09/1090674209.db2.gz XUWZWCMCHDQQBC-LPHOPBHVSA-N 2 0 347.459 2.930 20 5 EFBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158645304 530059053 /nfs/dbraw/zinc/05/90/53/530059053.db2.gz IQIABLLSYBDPSM-QAPCUYQASA-N 2 0 333.432 2.780 20 5 EFBDRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000423415998 283521412 /nfs/dbraw/zinc/52/14/12/283521412.db2.gz BMXYVWFFWMQAGN-VGWMRTNUSA-N 2 0 335.452 2.630 20 5 EFBDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072858438 216318403 /nfs/dbraw/zinc/31/84/03/216318403.db2.gz FRIXVBNZDPLJCE-OAHLLOKOSA-N 2 0 348.447 2.505 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000191609260 239209613 /nfs/dbraw/zinc/20/96/13/239209613.db2.gz SHFNOFSSDYOUTB-QGZVFWFLSA-N 2 0 348.491 2.970 20 5 EFBDRP C[C@@H]1C[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000414711669 244301135 /nfs/dbraw/zinc/30/11/35/244301135.db2.gz SUZRIEHOROFZCG-HUUCEWRRSA-N 2 0 333.432 2.826 20 5 EFBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000414855964 244372796 /nfs/dbraw/zinc/37/27/96/244372796.db2.gz XTGKBKYJXIXMAY-LLVKDONJSA-N 2 0 329.347 2.676 20 5 EFBDRP C[NH2+]C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435378768 248233230 /nfs/dbraw/zinc/23/32/30/248233230.db2.gz GHZRLVMZVMJNIF-LBPRGKRZSA-N 2 0 332.429 2.760 20 5 EFBDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435382628 248234485 /nfs/dbraw/zinc/23/44/85/248234485.db2.gz BCLVKJFUNUARMS-KRWDZBQOSA-N 2 0 345.447 2.801 20 5 EFBDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc([N+](=O)[O-])c1C ZINC000344148531 145379663 /nfs/dbraw/zinc/37/96/63/145379663.db2.gz RPDSGUWHXOYFCB-UHFFFAOYSA-N 2 0 348.491 2.753 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000160205189 225360009 /nfs/dbraw/zinc/36/00/09/225360009.db2.gz KCZFUDUJLOGBQP-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP C[N@H+]1CC=C(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000271869097 266083919 /nfs/dbraw/zinc/08/39/19/266083919.db2.gz KDBCTABUEQJOKI-UHFFFAOYSA-N 2 0 327.331 2.548 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277077939 273146125 /nfs/dbraw/zinc/14/61/25/273146125.db2.gz FCPWEVNAVBJPTN-OAHLLOKOSA-N 2 0 348.447 2.648 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000152379479 275040146 /nfs/dbraw/zinc/04/01/46/275040146.db2.gz VGPICFZJCFPEGM-KDOFPFPSSA-N 2 0 329.444 2.990 20 5 EFBDRP C[NH+](C)C1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421878239 276772677 /nfs/dbraw/zinc/77/26/77/276772677.db2.gz NFWXFKVZUFXJFS-CKUJCDMFSA-N 2 0 335.452 2.737 20 5 EFBDRP C[NH+](C)CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447596784 289095274 /nfs/dbraw/zinc/09/52/74/289095274.db2.gz DILHWGNGQCBWJU-HOTGVXAUSA-N 2 0 349.479 2.987 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000131888533 293212241 /nfs/dbraw/zinc/21/22/41/293212241.db2.gz YFNWSUJBSZQKBF-KRWDZBQOSA-N 2 0 329.356 2.522 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH+]2CCCCC2)n1 ZINC000447514591 304811701 /nfs/dbraw/zinc/81/17/01/304811701.db2.gz GHPYHBYVVPRJJB-JKSUJKDBSA-N 2 0 335.452 2.741 20 5 EFBDRP O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297833556 310933569 /nfs/dbraw/zinc/93/35/69/310933569.db2.gz ZXKGJYDUGVRXLT-UHFFFAOYSA-N 2 0 326.400 2.791 20 5 EFBDRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331848380 311426422 /nfs/dbraw/zinc/42/64/22/311426422.db2.gz CNVSCXUBUTUKBU-CVEARBPZSA-N 2 0 335.452 2.737 20 5 EFBDRP Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414998090 312074476 /nfs/dbraw/zinc/07/44/76/312074476.db2.gz HUSGBCQPRQMOHS-XJKSGUPXSA-N 2 0 343.431 2.602 20 5 EFBDRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415002182 312075331 /nfs/dbraw/zinc/07/53/31/312075331.db2.gz VXBKHHBGULSFAT-JQWIXIFHSA-N 2 0 329.347 2.803 20 5 EFBDRP Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415123065 312097831 /nfs/dbraw/zinc/09/78/31/312097831.db2.gz KSOZZKCDSUVXEV-SJLPKXTDSA-N 2 0 333.432 2.622 20 5 EFBDRP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000415123066 312097836 /nfs/dbraw/zinc/09/78/36/312097836.db2.gz KSOZZKCDSUVXEV-WMZOPIPTSA-N 2 0 333.432 2.622 20 5 EFBDRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000415140544 312101882 /nfs/dbraw/zinc/10/18/82/312101882.db2.gz KRHBXTPBUDGYSC-UHFFFAOYSA-N 2 0 347.440 2.609 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000423540041 312431645 /nfs/dbraw/zinc/43/16/45/312431645.db2.gz JHXLUIVDPCKBTH-MLHJIOFPSA-N 2 0 329.444 2.894 20 5 EFBDRP CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000556684238 318398633 /nfs/dbraw/zinc/39/86/33/318398633.db2.gz XHVYALZEMWYPHT-CVEARBPZSA-N 2 0 335.452 2.597 20 5 EFBDRP CSC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC[NH+](C)CC1 ZINC000566747330 319107494 /nfs/dbraw/zinc/10/74/94/319107494.db2.gz FXHABEYALCLPRN-HNNXBMFYSA-N 2 0 335.473 2.999 20 5 EFBDRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000571252363 319554879 /nfs/dbraw/zinc/55/48/79/319554879.db2.gz XVSYLPATBXLAQQ-CABCVRRESA-N 2 0 335.452 2.597 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000124403570 473241872 /nfs/dbraw/zinc/24/18/72/473241872.db2.gz TUJPVDACBXJBMR-INIZCTEOSA-N 2 0 348.491 2.827 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124439052 473245468 /nfs/dbraw/zinc/24/54/68/473245468.db2.gz IICBNELGUAJJLA-INIZCTEOSA-N 2 0 348.491 2.827 20 5 EFBDRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000124504633 473253842 /nfs/dbraw/zinc/25/38/42/473253842.db2.gz UEURFNTVEKHPJB-OAHLLOKOSA-N 2 0 334.464 2.519 20 5 EFBDRP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)C[NH3+] ZINC000430555943 476857075 /nfs/dbraw/zinc/85/70/75/476857075.db2.gz JUONLZQBYXTMAN-UHFFFAOYSA-N 2 0 332.404 2.709 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154376304 472425129 /nfs/dbraw/zinc/42/51/29/472425129.db2.gz WGOYTTZNPOSCSW-MRXNPFEDSA-N 2 0 334.464 2.581 20 5 EFBDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000060368425 472648378 /nfs/dbraw/zinc/64/83/78/472648378.db2.gz PVLLLDFUULJZQQ-HZPDHXFCSA-N 2 0 347.459 2.916 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)C1CC1 ZINC000157626884 472840853 /nfs/dbraw/zinc/84/08/53/472840853.db2.gz GSAMGQGXRXDYNU-ZWKOTPCHSA-N 2 0 329.444 2.990 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160216118 473097757 /nfs/dbraw/zinc/09/77/57/473097757.db2.gz JPMNJQIBWHYTJX-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000075007630 473111511 /nfs/dbraw/zinc/11/15/11/473111511.db2.gz LNXYOSGXOJINSD-UHFFFAOYSA-N 2 0 335.448 2.918 20 5 EFBDRP C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768234 473509399 /nfs/dbraw/zinc/50/93/99/473509399.db2.gz BDQAWZBWXVCKFU-ALKREAHSSA-N 2 0 347.459 2.871 20 5 EFBDRP Cc1c([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000186586847 473694675 /nfs/dbraw/zinc/69/46/75/473694675.db2.gz IOAAOVABZALSEF-GDBMZVCRSA-N 2 0 334.464 2.580 20 5 EFBDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000173783517 473930046 /nfs/dbraw/zinc/93/00/46/473930046.db2.gz OILKLKZHVUGBFH-OAHLLOKOSA-N 2 0 348.447 2.587 20 5 EFBDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270888852 474308380 /nfs/dbraw/zinc/30/83/80/474308380.db2.gz KYPCGNRHCPVBIW-UHFFFAOYSA-N 2 0 346.475 2.585 20 5 EFBDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000248876940 474467103 /nfs/dbraw/zinc/46/71/03/474467103.db2.gz JQTWYYFASBUYDP-IBGZPJMESA-N 2 0 346.475 2.589 20 5 EFBDRP C[N@@H+]1CCCC[C@@H]1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000268528825 475033829 /nfs/dbraw/zinc/03/38/29/475033829.db2.gz HYKWJYRHMIOPAY-MRXNPFEDSA-N 2 0 332.448 2.591 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000358364299 475621876 /nfs/dbraw/zinc/62/18/76/475621876.db2.gz IEULWTNMOFURAV-APWZRJJASA-N 2 0 349.475 2.864 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344020100 476146470 /nfs/dbraw/zinc/14/64/70/476146470.db2.gz GKSYWRDSSCTNNS-MRXNPFEDSA-N 2 0 336.480 2.780 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441349940 476689042 /nfs/dbraw/zinc/68/90/42/476689042.db2.gz GZFVDDFOCKMGDN-VBKFSLOCSA-N 2 0 346.475 2.614 20 5 EFBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000422640278 476727794 /nfs/dbraw/zinc/72/77/94/476727794.db2.gz VJASVBAULHKGKC-GUTXKFCHSA-N 2 0 348.447 2.537 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423415192 477026744 /nfs/dbraw/zinc/02/67/44/477026744.db2.gz AAJPCGVEAJCSGK-KKUMJFAQSA-N 2 0 348.447 2.667 20 5 EFBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375892991 477066530 /nfs/dbraw/zinc/06/65/30/477066530.db2.gz WSPWVNSMMUYCFA-VQIMIIECSA-N 2 0 346.475 2.756 20 5 EFBDRP COCC[N@H+](C)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433151018 477312104 /nfs/dbraw/zinc/31/21/04/477312104.db2.gz YHGGVYFVQZRWSH-QGZVFWFLSA-N 2 0 335.448 2.875 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420397573 477747256 /nfs/dbraw/zinc/74/72/56/477747256.db2.gz XOADOEGWRCZYQI-QIIPPGSGSA-N 2 0 333.432 2.874 20 5 EFBDRP C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000420406786 477752452 /nfs/dbraw/zinc/75/24/52/477752452.db2.gz OABOVRRSVCXSBF-UKRRQHHQSA-N 2 0 344.415 2.709 20 5 EFBDRP Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000368300600 477797111 /nfs/dbraw/zinc/79/71/11/477797111.db2.gz ZRLPDUQWKSZFJL-SFHVURJKSA-N 2 0 326.400 2.983 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459729786 478064195 /nfs/dbraw/zinc/06/41/95/478064195.db2.gz DQQUOIFRZRWWLY-HUUCEWRRSA-N 2 0 348.447 2.633 20 5 EFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459793843 478095348 /nfs/dbraw/zinc/09/53/48/478095348.db2.gz TZODWUBLCCPIBD-GJZGRUSLSA-N 2 0 348.447 2.633 20 5 EFBDRP C[NH+]1CCC(C)(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000571252366 478551214 /nfs/dbraw/zinc/55/12/14/478551214.db2.gz XVSYLPATBXLAQQ-LSDHHAIUSA-N 2 0 335.452 2.597 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592493392 478913258 /nfs/dbraw/zinc/91/32/58/478913258.db2.gz OIYGJVUSXNNJJU-CVEARBPZSA-N 2 0 333.432 2.685 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592493395 478914290 /nfs/dbraw/zinc/91/42/90/478914290.db2.gz OIYGJVUSXNNJJU-JKSUJKDBSA-N 2 0 333.432 2.685 20 5 EFBDRP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901605 479059711 /nfs/dbraw/zinc/05/97/11/479059711.db2.gz YTKCCRRCUHOWOT-INIZCTEOSA-N 2 0 333.432 2.685 20 5 EFBDRP Cn1ccnc1[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000602022960 479143838 /nfs/dbraw/zinc/14/38/38/479143838.db2.gz UUPOBLSVEFMZTG-QRTARXTBSA-N 2 0 343.431 2.525 20 5 EFBDRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599070645 479149252 /nfs/dbraw/zinc/14/92/52/479149252.db2.gz MUOQBDQHHDXZRD-BZUAXINKSA-N 2 0 335.452 2.597 20 5 EFBDRP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000584715410 479217117 /nfs/dbraw/zinc/21/71/17/479217117.db2.gz RXWYCLFVCSDASE-HNNXBMFYSA-N 2 0 348.447 2.635 20 5 EFBDRP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000593730802 479435945 /nfs/dbraw/zinc/43/59/45/479435945.db2.gz GZBUFZHKDCRQPZ-CJNGLKHVSA-N 2 0 348.447 2.681 20 5 EFBDRP Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000593730804 479438247 /nfs/dbraw/zinc/43/82/47/479438247.db2.gz GZBUFZHKDCRQPZ-XJKSGUPXSA-N 2 0 348.447 2.681 20 5 EFBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000618565405 479494159 /nfs/dbraw/zinc/49/41/59/479494159.db2.gz XPSUZHHWYZCZCO-BRWVUGGUSA-N 2 0 349.479 2.987 20 5 EFBDRP O=[N+]([O-])c1ccc(CN2CCCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000602845850 479590482 /nfs/dbraw/zinc/59/04/82/479590482.db2.gz LTXCTSIOAZZWAO-UHFFFAOYSA-N 2 0 330.363 2.841 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000160216728 533942668 /nfs/dbraw/zinc/94/26/68/533942668.db2.gz CYIXJTNQWGNHTB-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP CC[NH+](CC)CCCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000182751264 520589805 /nfs/dbraw/zinc/58/98/05/520589805.db2.gz QDGFMRNTLPEJPX-UHFFFAOYSA-N 2 0 337.468 2.625 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173385430 529148215 /nfs/dbraw/zinc/14/82/15/529148215.db2.gz LLZKPHOZCWFFDG-HZPDHXFCSA-N 2 0 334.464 2.519 20 5 EFBDRP CC[NH+]1CCN(CCC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000344818593 535699192 /nfs/dbraw/zinc/69/91/92/535699192.db2.gz FGAAZDGDJUSJAZ-SAPNQHFASA-N 2 0 346.475 2.615 20 5 EFBDRP CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCC[NH2+]CC1 ZINC000435626039 535705999 /nfs/dbraw/zinc/70/59/99/535705999.db2.gz JRHJMJVAFXZQJY-HNNXBMFYSA-N 2 0 348.447 2.696 20 5 EFBDRP CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435613504 535706592 /nfs/dbraw/zinc/70/65/92/535706592.db2.gz AYRWEBJWASNQRH-OAHLLOKOSA-N 2 0 348.447 2.696 20 5 EFBDRP C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465904 575439175 /nfs/dbraw/zinc/43/91/75/575439175.db2.gz QFBOBEQRNOCBEO-GMBSWORKSA-N 2 0 347.459 2.871 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[NH+]3CCCC3)CC2)cc1 ZINC000764665943 576487210 /nfs/dbraw/zinc/48/72/10/576487210.db2.gz KCORARRDPAPCBL-UHFFFAOYSA-N 2 0 332.448 2.639 20 5 EFBDRP CC[NH+](CC)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131470715 1258041612 /nfs/dbraw/zinc/04/16/12/1258041612.db2.gz SJFXZNPPGXSRGV-UHFFFAOYSA-N 2 0 334.464 2.885 20 5 EFBDRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923480042 1261749344 /nfs/dbraw/zinc/74/93/44/1261749344.db2.gz UILIVEAEJOKMGI-JTQLQIEISA-N 2 0 328.210 2.528 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998019 1272574473 /nfs/dbraw/zinc/57/44/73/1272574473.db2.gz HGQYVZPSAAIJSK-DDBAPUKQSA-N 2 0 332.448 2.599 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998020 1272575135 /nfs/dbraw/zinc/57/51/35/1272575135.db2.gz HGQYVZPSAAIJSK-DKIMLUQUSA-N 2 0 332.448 2.599 20 5 EFBDRP CC[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170309262 1279032326 /nfs/dbraw/zinc/03/23/26/1279032326.db2.gz PWNIAOAWPJYXCE-AWEZNQCLSA-N 2 0 335.448 2.856 20 5 EFBDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960065 1276550483 /nfs/dbraw/zinc/55/04/83/1276550483.db2.gz WXMBSJXEHGFBEP-YJBOKZPZSA-N 2 0 335.448 2.730 20 5 EFBDRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819251334 1276684671 /nfs/dbraw/zinc/68/46/71/1276684671.db2.gz DYOYRZLYXFPYAH-IBGZPJMESA-N 2 0 343.427 2.522 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001170348455 1279055238 /nfs/dbraw/zinc/05/52/38/1279055238.db2.gz XCCDBJKMLYWXLP-CQSZACIVSA-N 2 0 335.448 2.808 20 5 EFBDRP CSC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000815627466 1287645411 /nfs/dbraw/zinc/64/54/11/1287645411.db2.gz BLUBSFZZMLYQRI-GFCCVEGCSA-N 2 0 338.477 2.655 20 5 EFBDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172910155 1286352382 /nfs/dbraw/zinc/35/23/82/1286352382.db2.gz WTRCZFIKXHMRJC-FGTMMUONSA-N 2 0 329.444 2.726 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873043028 1289537344 /nfs/dbraw/zinc/53/73/44/1289537344.db2.gz KMZMNPOOVLGNKH-OAHLLOKOSA-N 2 0 348.491 2.575 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873289990 1289704584 /nfs/dbraw/zinc/70/45/84/1289704584.db2.gz MUTIWSWRUKJUFN-ZBFHGGJFSA-N 2 0 333.432 2.713 20 5 EFBDRP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873289133 1289704627 /nfs/dbraw/zinc/70/46/27/1289704627.db2.gz FQJYTWUEIRPIDD-IAGOWNOFSA-N 2 0 333.432 2.794 20 5 EFBDRP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903726445 1313123438 /nfs/dbraw/zinc/12/34/38/1313123438.db2.gz LWIYQQWOAKOFDR-GOSISDBHSA-N 2 0 347.459 2.964 20 5 EFBDRP O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)c1 ZINC000903752366 1313163442 /nfs/dbraw/zinc/16/34/42/1313163442.db2.gz NFVFGIOZNHPLBQ-GOSISDBHSA-N 2 0 345.443 2.718 20 5 EFBDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000903789092 1313215711 /nfs/dbraw/zinc/21/57/11/1313215711.db2.gz UKLZVFXBAVBOTG-SNVBAGLBSA-N 2 0 328.210 2.528 20 5 EFBDRP CC[N+](C)(C)Cc1ccccc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163651163 1312355084 /nfs/dbraw/zinc/35/50/84/1312355084.db2.gz ZYXHZRLFIDNVNU-VQTJNVASSA-N 2 0 332.512 2.996 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)c([N+](=O)[O-])c1 ZINC001246343746 1314613251 /nfs/dbraw/zinc/61/32/51/1314613251.db2.gz ZFIDJUCFRHUZGA-VHSSKADRSA-N 2 0 333.432 2.928 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](C1CCC1)C1C[NH2+]C1)CC2 ZINC001246519572 1314641239 /nfs/dbraw/zinc/64/12/39/1314641239.db2.gz SHLIKFMRCMOOJT-IEBWSBKVSA-N 2 0 329.444 2.820 20 5 EFBDRP COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246549358 1314645974 /nfs/dbraw/zinc/64/59/74/1314645974.db2.gz MEIPZYJPMDHSHA-DYVFJYSZSA-N 2 0 339.411 2.687 20 5 EFBDRP C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@@H]1C[NH3+] ZINC001246563275 1314649172 /nfs/dbraw/zinc/64/91/72/1314649172.db2.gz CPKXWGCKJCOCPO-JKSUJKDBSA-N 2 0 346.475 2.870 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)CC2)cc1 ZINC001247016416 1314731776 /nfs/dbraw/zinc/73/17/76/1314731776.db2.gz UXTBZYXKSXKIHP-KXBFYZLASA-N 2 0 344.459 2.638 20 5 EFBDRP [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@@H]4CC[NH2+]4)c4ccccc43)oc-2c1 ZINC001219369452 1315306318 /nfs/dbraw/zinc/30/63/18/1315306318.db2.gz FLMHWTHHZQBPNX-HNNXBMFYSA-N 2 0 344.374 2.866 20 5 EFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889751 1315459984 /nfs/dbraw/zinc/45/99/84/1315459984.db2.gz OGKPDBMKPWWZIB-UWJYYQICSA-N 2 0 347.462 2.731 20 5 EFBDRP C[NH+](C)CC1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254479210 1315708379 /nfs/dbraw/zinc/70/83/79/1315708379.db2.gz SKSRZZKJIQWJRD-UHFFFAOYSA-N 2 0 346.475 2.837 20 5 EFBDRP C[NH+]1CC2(C1)CC[NH+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC001254481141 1315708620 /nfs/dbraw/zinc/70/86/20/1315708620.db2.gz UURAAYLRPHXREI-UHFFFAOYSA-N 2 0 344.459 2.591 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001254580524 1315726992 /nfs/dbraw/zinc/72/69/92/1315726992.db2.gz GFAMCFWAIYAYST-QGZVFWFLSA-N 2 0 338.411 2.716 20 5 EFBDRP C[NH+]1CCC2(CC1)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254605540 1315730167 /nfs/dbraw/zinc/73/01/67/1315730167.db2.gz BECFWERLWKEWDR-SFHVURJKSA-N 2 0 329.444 2.870 20 5 EFBDRP COc1c(O)ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000895472744 724151288 /nfs/dbraw/zinc/15/12/88/724151288.db2.gz KONFVGQMBXQUTR-UHFFFAOYSA-N 2 0 349.431 2.521 20 5 EFBDRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[NH2+]2 ZINC001576588111 1089339105 /nfs/dbraw/zinc/33/91/05/1089339105.db2.gz PXDYMEDQSCUJLQ-MWLKLMTCSA-N 2 0 344.459 2.682 20 5 EFBDRP C[C@@H]1CC2(C[N@@H+]1Cc1nc3cc([N+](=O)[O-])ccc3o1)CC[NH2+]CC2 ZINC001576636674 1089372034 /nfs/dbraw/zinc/37/20/34/1089372034.db2.gz FYOXZOSWALWLRS-GFCCVEGCSA-N 2 0 330.388 2.700 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001579735115 1090674622 /nfs/dbraw/zinc/67/46/22/1090674622.db2.gz XUWZWCMCHDQQBC-VQIMIIECSA-N 2 0 347.459 2.930 20 5 EFBDRP [NH3+]CC1(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC001580244287 1090828864 /nfs/dbraw/zinc/82/88/64/1090828864.db2.gz VFSZFBWPASEOTO-UHFFFAOYSA-N 2 0 334.239 2.637 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173945330 231075512 /nfs/dbraw/zinc/07/55/12/231075512.db2.gz WCIDNHKKFZGATB-UHFFFAOYSA-N 2 0 333.432 2.672 20 5 EFBDRP C[C@H]1C[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000414711670 244300616 /nfs/dbraw/zinc/30/06/16/244300616.db2.gz SUZRIEHOROFZCG-LSDHHAIUSA-N 2 0 333.432 2.826 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370530 245953476 /nfs/dbraw/zinc/95/34/76/245953476.db2.gz JQZVNYRUQLRXNM-VQCLRJIVSA-N 2 0 348.447 2.774 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000152379379 285161454 /nfs/dbraw/zinc/16/14/54/285161454.db2.gz VGPICFZJCFPEGM-KBXCAEBGSA-N 2 0 329.444 2.990 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459729783 255924972 /nfs/dbraw/zinc/92/49/72/255924972.db2.gz DQQUOIFRZRWWLY-GJZGRUSLSA-N 2 0 348.447 2.633 20 5 EFBDRP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000344634264 142052746 /nfs/dbraw/zinc/05/27/46/142052746.db2.gz RYLGQJNBSMBOCD-XJKSGUPXSA-N 2 0 343.431 2.568 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000344840344 142086172 /nfs/dbraw/zinc/08/61/72/142086172.db2.gz DEDXVRFGDAYDMR-APEZIOSESA-N 2 0 347.459 2.825 20 5 EFBDRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351502201 146132656 /nfs/dbraw/zinc/13/26/56/146132656.db2.gz KRPSXJVTTWAEHY-CVEARBPZSA-N 2 0 335.452 2.739 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000123189483 222231043 /nfs/dbraw/zinc/23/10/43/222231043.db2.gz NZCRWDNZUJUBMG-APWZRJJASA-N 2 0 349.475 2.864 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277077934 273146082 /nfs/dbraw/zinc/14/60/82/273146082.db2.gz FCPWEVNAVBJPTN-HNNXBMFYSA-N 2 0 348.447 2.648 20 5 EFBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447580403 289309797 /nfs/dbraw/zinc/30/97/97/289309797.db2.gz OKUMXJDZKJFPFA-XUWVNRHRSA-N 2 0 335.452 2.737 20 5 EFBDRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000154386369 293423664 /nfs/dbraw/zinc/42/36/64/293423664.db2.gz COBYKROEZDTRAD-INIZCTEOSA-N 2 0 334.464 2.581 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150974612 310677918 /nfs/dbraw/zinc/67/79/18/310677918.db2.gz IYLLEFPXHHLLKK-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000331262866 311363369 /nfs/dbraw/zinc/36/33/69/311363369.db2.gz DXQCPHOAPNFNBW-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415002180 312075319 /nfs/dbraw/zinc/07/53/19/312075319.db2.gz VXBKHHBGULSFAT-CMPLNLGQSA-N 2 0 329.347 2.803 20 5 EFBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415009854 312076737 /nfs/dbraw/zinc/07/67/37/312076737.db2.gz OLMFBXNCMZIAQE-UONOGXRCSA-N 2 0 341.358 2.674 20 5 EFBDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415125577 312098484 /nfs/dbraw/zinc/09/84/84/312098484.db2.gz OKIJOHCKOONOLM-DUVWHUSGSA-N 2 0 345.443 2.826 20 5 EFBDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000415133306 312100640 /nfs/dbraw/zinc/10/06/40/312100640.db2.gz VBABNQVKCDSETC-PMGINUPQSA-N 2 0 345.443 2.826 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)n1 ZINC000423369587 312416659 /nfs/dbraw/zinc/41/66/59/312416659.db2.gz FEXRHICNISKNIA-IAGOWNOFSA-N 2 0 341.415 2.668 20 5 EFBDRP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423467439 312420928 /nfs/dbraw/zinc/42/09/28/312420928.db2.gz IXTGLEZRQDFKAA-FRFSOERESA-N 2 0 343.431 2.525 20 5 EFBDRP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423467441 312420969 /nfs/dbraw/zinc/42/09/69/312420969.db2.gz IXTGLEZRQDFKAA-UKPHBRMFSA-N 2 0 343.431 2.525 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000568483108 319287638 /nfs/dbraw/zinc/28/76/38/319287638.db2.gz DUXADFGCLWWBBV-UHFFFAOYSA-N 2 0 342.399 2.627 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000577024212 320069973 /nfs/dbraw/zinc/06/99/73/320069973.db2.gz ZUIVPUOJBBYJQD-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000128360138 472440117 /nfs/dbraw/zinc/44/01/17/472440117.db2.gz UMQBPCJHGMJKLZ-INIZCTEOSA-N 2 0 334.464 2.581 20 5 EFBDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000060368496 472648759 /nfs/dbraw/zinc/64/87/59/472648759.db2.gz VRJSEEURAVPPPU-IYBDPMFKSA-N 2 0 347.459 2.916 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000132352842 472728424 /nfs/dbraw/zinc/72/84/24/472728424.db2.gz JCZSIKOQJKVBHN-APWZRJJASA-N 2 0 348.491 2.826 20 5 EFBDRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000160709224 473164721 /nfs/dbraw/zinc/16/47/21/473164721.db2.gz UBHOXVROULPWRV-JKSUJKDBSA-N 2 0 335.448 2.791 20 5 EFBDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000160732574 473167464 /nfs/dbraw/zinc/16/74/64/473167464.db2.gz LSFUYZMKFXIRAQ-MSOLQXFVSA-N 2 0 335.448 2.872 20 5 EFBDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192665715 473703647 /nfs/dbraw/zinc/70/36/47/473703647.db2.gz RSDXQAQVJWSYMK-IBGZPJMESA-N 2 0 346.475 2.589 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248167587 474275623 /nfs/dbraw/zinc/27/56/23/474275623.db2.gz UBHOXVROULPWRV-CVEARBPZSA-N 2 0 335.448 2.791 20 5 EFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000337058042 474669942 /nfs/dbraw/zinc/66/99/42/474669942.db2.gz VYGWMDYWVHSOSJ-HUUCEWRRSA-N 2 0 348.447 2.728 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000345043606 474840634 /nfs/dbraw/zinc/84/06/34/474840634.db2.gz JCUNKHGPZDOXDX-SSZFMOIBSA-N 2 0 346.475 2.614 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000323852771 474956738 /nfs/dbraw/zinc/95/67/38/474956738.db2.gz MXJNQWSSJCCBAI-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331991418 475478261 /nfs/dbraw/zinc/47/82/61/475478261.db2.gz ZJSWWGHIXWZLSY-SJORKVTESA-N 2 0 349.479 2.985 20 5 EFBDRP C[NH+](C)CCOC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000353524225 476045819 /nfs/dbraw/zinc/04/58/19/476045819.db2.gz CLFMFXSZNVEHQJ-FNORWQNLSA-N 2 0 333.432 2.651 20 5 EFBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000350286504 476120363 /nfs/dbraw/zinc/12/03/63/476120363.db2.gz MWHSHPIGWBDABF-QGZVFWFLSA-N 2 0 335.448 2.836 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000357076506 476210295 /nfs/dbraw/zinc/21/02/95/476210295.db2.gz JTRZXTIEVVSGMV-ZDUSSCGKSA-N 2 0 330.388 2.558 20 5 EFBDRP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000374676202 476496220 /nfs/dbraw/zinc/49/62/20/476496220.db2.gz GMIFTNJDCKALSU-KGLIPLIRSA-N 2 0 326.400 2.912 20 5 EFBDRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000422942444 476857598 /nfs/dbraw/zinc/85/75/98/476857598.db2.gz KFKBFIOHBIDSNL-UONOGXRCSA-N 2 0 349.431 2.567 20 5 EFBDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430600975 476878297 /nfs/dbraw/zinc/87/82/97/476878297.db2.gz SPASXTYZIDVVAA-HIFRSBDPSA-N 2 0 344.415 2.852 20 5 EFBDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430600979 476878727 /nfs/dbraw/zinc/87/87/27/476878727.db2.gz SPASXTYZIDVVAA-ZFWWWQNUSA-N 2 0 344.415 2.852 20 5 EFBDRP Cc1c([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370635777 476907705 /nfs/dbraw/zinc/90/77/05/476907705.db2.gz PZQJMHSCQNFIJE-JKSUJKDBSA-N 2 0 346.475 2.722 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH3+])CCCCC1 ZINC000423174347 476953606 /nfs/dbraw/zinc/95/36/06/476953606.db2.gz ALWYZFQEGULFOE-CYBMUJFWSA-N 2 0 334.420 2.563 20 5 EFBDRP CC(C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447591913 477020390 /nfs/dbraw/zinc/02/03/90/477020390.db2.gz GCDAUNURHOWSSP-JKSUJKDBSA-N 2 0 349.479 2.987 20 5 EFBDRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423467440 477040036 /nfs/dbraw/zinc/04/00/36/477040036.db2.gz IXTGLEZRQDFKAA-JLJPHGGASA-N 2 0 343.431 2.525 20 5 EFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000411303087 477188801 /nfs/dbraw/zinc/18/88/01/477188801.db2.gz GHWXJFJSNHMOGQ-PBHICJAKSA-N 2 0 348.447 2.728 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424288697 477356476 /nfs/dbraw/zinc/35/64/76/477356476.db2.gz LCMBUAHSPRRFBJ-AWEZNQCLSA-N 2 0 333.432 2.958 20 5 EFBDRP CCc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420239534 477645654 /nfs/dbraw/zinc/64/56/54/477645654.db2.gz PKWWBPBPXRQYNL-HIFRSBDPSA-N 2 0 341.415 2.718 20 5 EFBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329383 477698645 /nfs/dbraw/zinc/69/86/45/477698645.db2.gz GOKSACHSHYMDCX-GASCZTMLSA-N 2 0 333.432 2.813 20 5 EFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459793841 478095002 /nfs/dbraw/zinc/09/50/02/478095002.db2.gz TZODWUBLCCPIBD-CABCVRRESA-N 2 0 348.447 2.633 20 5 EFBDRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000570632978 478404035 /nfs/dbraw/zinc/40/40/35/478404035.db2.gz OQZWZSBUORSPOK-JKSUJKDBSA-N 2 0 329.404 2.524 20 5 EFBDRP O=[N+]([O-])c1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000594968744 478612405 /nfs/dbraw/zinc/61/24/05/478612405.db2.gz JREOUPMQCUFZAP-UHFFFAOYSA-N 2 0 340.427 2.992 20 5 EFBDRP Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000572625996 478883215 /nfs/dbraw/zinc/88/32/15/478883215.db2.gz BGHFJAFPOFOCHQ-AWEZNQCLSA-N 2 0 343.431 2.923 20 5 EFBDRP CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592427598 478891845 /nfs/dbraw/zinc/89/18/45/478891845.db2.gz HAFXTAZYPAISMA-CXAGYDPISA-N 2 0 343.431 2.555 20 5 EFBDRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433580 478894027 /nfs/dbraw/zinc/89/40/27/478894027.db2.gz DJQIEAAWQKRBKY-JKSUJKDBSA-N 2 0 333.432 2.815 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000565533752 479029616 /nfs/dbraw/zinc/02/96/16/479029616.db2.gz JMYWZAPJGUNTBN-OKZBNKHCSA-N 2 0 333.432 2.874 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000595900622 479059377 /nfs/dbraw/zinc/05/93/77/479059377.db2.gz ILRPUPXPCWRWNQ-AWEZNQCLSA-N 2 0 344.415 2.948 20 5 EFBDRP CC[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000602021168 479141407 /nfs/dbraw/zinc/14/14/07/479141407.db2.gz NSIWPEYADAXPMF-QGZVFWFLSA-N 2 0 341.415 2.963 20 5 EFBDRP Cc1ccc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1[N+](=O)[O-] ZINC000602023456 479143015 /nfs/dbraw/zinc/14/30/15/479143015.db2.gz XKBATQIKTKSLKI-AWEZNQCLSA-N 2 0 341.415 2.881 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599072193 479149105 /nfs/dbraw/zinc/14/91/05/479149105.db2.gz ZWWSWFPWBQCUSJ-GJZGRUSLSA-N 2 0 348.447 2.633 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593735703 479439593 /nfs/dbraw/zinc/43/95/93/479439593.db2.gz ZBMWPIJSWJZRON-GUYCJALGSA-N 2 0 348.447 2.681 20 5 EFBDRP CCC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151843837 521157400 /nfs/dbraw/zinc/15/74/00/521157400.db2.gz ZNGOYEWQPGYPDV-SFHVURJKSA-N 2 0 335.448 2.730 20 5 EFBDRP CCC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155023962 521175376 /nfs/dbraw/zinc/17/53/76/521175376.db2.gz UYCMQWZMZOTKRV-QAPCUYQASA-N 2 0 334.464 2.662 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000121244520 521685868 /nfs/dbraw/zinc/68/58/68/521685868.db2.gz ZBELKFUKEDDLJJ-WBVHZDCISA-N 2 0 348.491 2.827 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000121244840 521686233 /nfs/dbraw/zinc/68/62/33/521686233.db2.gz ZBELKFUKEDDLJJ-NVXWUHKLSA-N 2 0 348.491 2.827 20 5 EFBDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173900623 527819787 /nfs/dbraw/zinc/81/97/87/527819787.db2.gz UGCUQIDYNQQUSP-HNNXBMFYSA-N 2 0 348.447 2.505 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154491379 529143427 /nfs/dbraw/zinc/14/34/27/529143427.db2.gz RHSPBHPFGGTEEK-QGZVFWFLSA-N 2 0 348.491 2.972 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000154481252 529143480 /nfs/dbraw/zinc/14/34/80/529143480.db2.gz GEQMGIZKMKSHEC-KRWDZBQOSA-N 2 0 348.491 2.972 20 5 EFBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc([N+](=O)[O-])c1 ZINC000349071789 535595496 /nfs/dbraw/zinc/59/54/96/535595496.db2.gz HSTJYDBKZPCVTG-HNNXBMFYSA-N 2 0 340.493 2.504 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997784 1272574834 /nfs/dbraw/zinc/57/48/34/1272574834.db2.gz FWAKWSTUCXXEAI-TVFCKZIOSA-N 2 0 332.448 2.599 20 5 EFBDRP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997550 1272575429 /nfs/dbraw/zinc/57/54/29/1272575429.db2.gz DEFGDHJFPKIPNW-NVXWUHKLSA-N 2 0 335.423 2.607 20 5 EFBDRP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997552 1272575671 /nfs/dbraw/zinc/57/56/71/1272575671.db2.gz DEFGDHJFPKIPNW-WBVHZDCISA-N 2 0 335.423 2.607 20 5 EFBDRP CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169025752 1272621429 /nfs/dbraw/zinc/62/14/29/1272621429.db2.gz UTFUHWNZPNVFMJ-ARFHVFGLSA-N 2 0 349.479 2.545 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001170315328 1279010253 /nfs/dbraw/zinc/01/02/53/1279010253.db2.gz XETSCPNUYZUTTG-CYBMUJFWSA-N 2 0 329.400 2.783 20 5 EFBDRP CC1(C)C[C@H](NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577484 1276230348 /nfs/dbraw/zinc/23/03/48/1276230348.db2.gz ONGBNKINZAYTTL-RKVPGOIHSA-N 2 0 345.443 2.770 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001170325950 1279018091 /nfs/dbraw/zinc/01/80/91/1279018091.db2.gz YXASFFFYMATYSF-BPUTZDHNSA-N 2 0 335.448 2.997 20 5 EFBDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818960364 1276550181 /nfs/dbraw/zinc/55/01/81/1276550181.db2.gz YQOQJHCNRSXJOS-MAUKXSAKSA-N 2 0 335.448 2.872 20 5 EFBDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960063 1276550384 /nfs/dbraw/zinc/55/03/84/1276550384.db2.gz WXMBSJXEHGFBEP-MAUKXSAKSA-N 2 0 335.448 2.730 20 5 EFBDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959712 1276560215 /nfs/dbraw/zinc/56/02/15/1276560215.db2.gz RHRJHBVHZWRFSG-QAPCUYQASA-N 2 0 335.448 2.872 20 5 EFBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000819050765 1276581588 /nfs/dbraw/zinc/58/15/88/1276581588.db2.gz WLTWRFRNUMUHME-SFHVURJKSA-N 2 0 335.448 2.874 20 5 EFBDRP COCCC1([NH3+])CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905328 1286308696 /nfs/dbraw/zinc/30/86/96/1286308696.db2.gz IZKUZQPLVCMYDX-KRWDZBQOSA-N 2 0 347.459 2.672 20 5 EFBDRP CC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172912797 1286353117 /nfs/dbraw/zinc/35/31/17/1286353117.db2.gz MHWFTGWFJMADSR-KSZLIROESA-N 2 0 329.444 2.726 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCCC[NH+](C)C)c1F ZINC001173175942 1286452757 /nfs/dbraw/zinc/45/27/57/1286452757.db2.gz DSGOJIQKQPZYQF-CYBMUJFWSA-N 2 0 341.427 2.995 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1F ZINC001173183772 1286456074 /nfs/dbraw/zinc/45/60/74/1286456074.db2.gz NKLSLYNUVXSGEU-WOPDTQHZSA-N 2 0 325.384 2.533 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)CC[NH+](C)C)c1F ZINC001173191520 1286457820 /nfs/dbraw/zinc/45/78/20/1286457820.db2.gz LZHZCTZMLRPETJ-LBPRGKRZSA-N 2 0 341.427 2.993 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)c1F ZINC001173189275 1286458203 /nfs/dbraw/zinc/45/82/03/1286458203.db2.gz NXZBJOAZSRUNCI-STQMWFEESA-N 2 0 339.411 2.747 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000873009855 1289515945 /nfs/dbraw/zinc/51/59/45/1289515945.db2.gz CHFWAOUWJYNWGG-LJQANCHMSA-N 2 0 348.491 2.573 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000873043164 1289536932 /nfs/dbraw/zinc/53/69/32/1289536932.db2.gz MBVUYQLXLGPXJG-UHFFFAOYSA-N 2 0 348.491 2.575 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873289957 1289704269 /nfs/dbraw/zinc/70/42/69/1289704269.db2.gz MUTIWSWRUKJUFN-HOCLYGCPSA-N 2 0 333.432 2.713 20 5 EFBDRP C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c1CC[NH2+]C2 ZINC000903918149 1313412795 /nfs/dbraw/zinc/41/27/95/1313412795.db2.gz TXKNVNSCAYTIOW-UHFFFAOYSA-N 2 0 325.412 2.915 20 5 EFBDRP [NH3+]CCc1cn(-c2ccc3cccc([N+](=O)[O-])c3n2)c2cc[nH+]cc12 ZINC001160945609 1311817583 /nfs/dbraw/zinc/81/75/83/1311817583.db2.gz GMLRCFUQIBVEAV-UHFFFAOYSA-N 2 0 333.351 2.983 20 5 EFBDRP CC[N+](C)(C)Cc1ccccc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163286163 1312282455 /nfs/dbraw/zinc/28/24/55/1312282455.db2.gz ZFVSQVOIIUYMMN-FXAWDEMLSA-N 2 0 332.512 2.854 20 5 EFBDRP CC[N+](C)(C)Cc1ccccc1NCC1([NH+](C)C)CCN(C)CC1 ZINC001164212783 1312469565 /nfs/dbraw/zinc/46/95/65/1312469565.db2.gz CPSUEHDZTFPIPP-UHFFFAOYSA-N 2 0 333.544 2.721 20 5 EFBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001211191056 1314450133 /nfs/dbraw/zinc/45/01/33/1314450133.db2.gz OEUKCAGUFRYXPJ-UHFFFAOYSA-N 2 0 331.351 2.624 20 5 EFBDRP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC001246095563 1314582548 /nfs/dbraw/zinc/58/25/48/1314582548.db2.gz KYTZKEFBXXSYGZ-HUUCEWRRSA-N 2 0 332.448 2.541 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)c1F ZINC001246095337 1314582605 /nfs/dbraw/zinc/58/26/05/1314582605.db2.gz BHHZOBXGSFEXFE-RWMBFGLXSA-N 2 0 339.411 2.509 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)c1F ZINC001246095332 1314582741 /nfs/dbraw/zinc/58/27/41/1314582741.db2.gz BHHZOBXGSFEXFE-AGIUHOORSA-N 2 0 339.411 2.509 20 5 EFBDRP C[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1C[NH3+] ZINC001246564629 1314648775 /nfs/dbraw/zinc/64/87/75/1314648775.db2.gz ZKGAASLELNHNTM-HZPDHXFCSA-N 2 0 346.475 2.870 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001246567496 1314649682 /nfs/dbraw/zinc/64/96/82/1314649682.db2.gz LGPJMKUZELHLBX-DZKIICNBSA-N 2 0 335.448 2.841 20 5 EFBDRP COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246580495 1314651733 /nfs/dbraw/zinc/65/17/33/1314651733.db2.gz WORSYZZTDZDKCZ-KDOFPFPSSA-N 2 0 335.448 2.985 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247017143 1314732067 /nfs/dbraw/zinc/73/20/67/1314732067.db2.gz ZWEUVOGIUOTLTP-ZHALLVOQSA-N 2 0 329.444 2.916 20 5 EFBDRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001221240023 1315496469 /nfs/dbraw/zinc/49/64/69/1315496469.db2.gz YYQFIBMXHDOKIA-XUEUYAKLSA-N 2 0 347.462 2.859 20 5 EFBDRP C[NH+](C)CCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465262 1315706669 /nfs/dbraw/zinc/70/66/69/1315706669.db2.gz WDMIINQLQPXDBN-UHFFFAOYSA-N 2 0 334.464 2.885 20 5 EFBDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001254465775 1315707026 /nfs/dbraw/zinc/70/70/26/1315707026.db2.gz KVQODKWKVRWOAS-IDHPPYADSA-N 2 0 344.459 2.778 20 5 EFBDRP C[NH+]1CCC2(C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)CC1 ZINC001254480365 1315707893 /nfs/dbraw/zinc/70/78/93/1315707893.db2.gz DSNXUCSREHVJLP-UHFFFAOYSA-N 2 0 344.459 2.591 20 5 EFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001254550739 1315722823 /nfs/dbraw/zinc/72/28/23/1315722823.db2.gz PZLDCYPRLYXUSA-OAHLLOKOSA-N 2 0 326.400 2.743 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CN(Cc3ccccc3)C1)C2 ZINC001254583783 1315727529 /nfs/dbraw/zinc/72/75/29/1315727529.db2.gz ODEHJVLBSJGTCV-IBGZPJMESA-N 2 0 337.423 2.784 20 5 EFBDRP CC(C)(C)[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001335398440 1331342618 /nfs/dbraw/zinc/34/26/18/1331342618.db2.gz PNIYRDCUZNUXRK-AWEZNQCLSA-N 2 0 348.447 2.633 20 5 EFBDRP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000892950815 719322857 /nfs/dbraw/zinc/32/28/57/719322857.db2.gz HACLHJROIRXNDH-OAHLLOKOSA-N 2 0 341.839 2.575 20 5 EFBDRP COc1c(O)ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000894234130 721355447 /nfs/dbraw/zinc/35/54/47/721355447.db2.gz SNYVVQNQKVICHA-UHFFFAOYSA-N 2 0 349.431 2.617 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001574981062 1088185432 /nfs/dbraw/zinc/18/54/32/1088185432.db2.gz ZGTQTIQGPSJSMT-IKFRKZOMSA-N 2 0 345.443 2.828 20 5 EFBDRP C[C@@H](C[NH2+]Cc1nc2c(s1)C[NH2+]CC2)c1ccccc1[N+](=O)[O-] ZINC001576033904 1088868267 /nfs/dbraw/zinc/86/82/67/1088868267.db2.gz XRWIYPFOJGUJQV-NSHDSACASA-N 2 0 332.429 2.590 20 5 EFBDRP CCC1([NH3+])CC[NH+]([C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001577230326 1089762392 /nfs/dbraw/zinc/76/23/92/1089762392.db2.gz GPFKOTPBELDKIA-CYBMUJFWSA-N 2 0 334.420 2.515 20 5 EFBDRP COc1ccc(C[NH2+]Cc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001579217870 1090549576 /nfs/dbraw/zinc/54/95/76/1090549576.db2.gz DETSKPTURUUJKT-UHFFFAOYSA-N 2 0 327.384 2.539 20 5 EFBDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000904406747 1107907292 /nfs/dbraw/zinc/90/72/92/1107907292.db2.gz ZIIVPSIFKXNMFA-GFCCVEGCSA-N 2 0 332.429 2.889 20 5 EFBDRP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)o2)c1 ZINC000904421329 1107933459 /nfs/dbraw/zinc/93/34/59/1107933459.db2.gz YJQRSENIUOLVLL-LSDHHAIUSA-N 2 0 327.384 2.896 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000128402572 222945654 /nfs/dbraw/zinc/94/56/54/222945654.db2.gz QLSKFOAGXLMPMA-MRXNPFEDSA-N 2 0 334.464 2.581 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186578256 235947546 /nfs/dbraw/zinc/94/75/46/235947546.db2.gz FRHBAXKXIBUOFA-JKSUJKDBSA-N 2 0 334.464 2.580 20 5 EFBDRP C[C@@H]1C[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000414711667 244301781 /nfs/dbraw/zinc/30/17/81/244301781.db2.gz SUZRIEHOROFZCG-CABCVRRESA-N 2 0 333.432 2.826 20 5 EFBDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435384721 248233617 /nfs/dbraw/zinc/23/36/17/248233617.db2.gz NXFIIXUUBJNNDT-HIFRSBDPSA-N 2 0 343.431 2.555 20 5 EFBDRP [NH3+]CC[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000443059927 250155383 /nfs/dbraw/zinc/15/53/83/250155383.db2.gz OCEFYGUGCUYDAN-AWEZNQCLSA-N 2 0 344.415 2.853 20 5 EFBDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000268977098 255507588 /nfs/dbraw/zinc/50/75/88/255507588.db2.gz BGKGXQFVRFUEHW-INIZCTEOSA-N 2 0 349.475 2.741 20 5 EFBDRP CN(CCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000344034359 145351661 /nfs/dbraw/zinc/35/16/61/145351661.db2.gz RDBQMTBPTZMLBH-UHFFFAOYSA-N 2 0 342.871 2.564 20 5 EFBDRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000370638463 150638114 /nfs/dbraw/zinc/63/81/14/150638114.db2.gz XSAXOPVZJUNRJU-APWZRJJASA-N 2 0 346.475 2.804 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000123189724 222231277 /nfs/dbraw/zinc/23/12/77/222231277.db2.gz NZCRWDNZUJUBMG-VQIMIIECSA-N 2 0 349.475 2.864 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000192851207 275038048 /nfs/dbraw/zinc/03/80/48/275038048.db2.gz ZUPJJXOYHYNHOE-IEBWSBKVSA-N 2 0 347.459 2.799 20 5 EFBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447547578 289691385 /nfs/dbraw/zinc/69/13/85/289691385.db2.gz CQHVDMWCAKEEHE-OAGGEKHMSA-N 2 0 335.452 2.597 20 5 EFBDRP C[NH+](C)C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153884091 293399219 /nfs/dbraw/zinc/39/92/19/293399219.db2.gz JNXFXNMOXXYPHD-CYBMUJFWSA-N 2 0 330.388 2.633 20 5 EFBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000414977340 312070245 /nfs/dbraw/zinc/07/02/45/312070245.db2.gz RHPZVPFARICGQR-LBPRGKRZSA-N 2 0 329.347 2.818 20 5 EFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023961 312078928 /nfs/dbraw/zinc/07/89/28/312078928.db2.gz MGOMETWOPVKKRB-RBSFLKMASA-N 2 0 348.447 2.667 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCO)CC1)CCCC2 ZINC000417315579 312208071 /nfs/dbraw/zinc/20/80/71/312208071.db2.gz SKKKPENZDRJBQC-LJQANCHMSA-N 2 0 347.459 2.656 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)n1 ZINC000423369585 312416631 /nfs/dbraw/zinc/41/66/31/312416631.db2.gz FEXRHICNISKNIA-DLBZAZTESA-N 2 0 341.415 2.668 20 5 EFBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000479960892 313277913 /nfs/dbraw/zinc/27/79/13/313277913.db2.gz HVPALQFOABZODK-OKILXGFUSA-N 2 0 329.425 2.975 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000527288745 316363546 /nfs/dbraw/zinc/36/35/46/316363546.db2.gz LJACKKIVYQQXEL-SAPNQHFASA-N 2 0 346.475 2.615 20 5 EFBDRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000577883807 320154651 /nfs/dbraw/zinc/15/46/51/320154651.db2.gz QZXJBSOKBWYDMB-TZMCWYRMSA-N 2 0 330.388 2.604 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000075639731 472175325 /nfs/dbraw/zinc/17/53/25/472175325.db2.gz IHDUGAZMSMTIEQ-OAHLLOKOSA-N 2 0 333.432 2.700 20 5 EFBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000075639727 472175844 /nfs/dbraw/zinc/17/58/44/472175844.db2.gz IHDUGAZMSMTIEQ-HNNXBMFYSA-N 2 0 333.432 2.700 20 5 EFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155649861 472588680 /nfs/dbraw/zinc/58/86/80/472588680.db2.gz HUJZAMPXLQMWIS-CVEARBPZSA-N 2 0 334.464 2.580 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121343635 472838360 /nfs/dbraw/zinc/83/83/60/472838360.db2.gz JGMMYWJMXPTADI-JKSUJKDBSA-N 2 0 334.464 2.519 20 5 EFBDRP O=[N+]([O-])c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000064344360 472844837 /nfs/dbraw/zinc/84/48/37/472844837.db2.gz ZHJBGWYSATUXLJ-UHFFFAOYSA-N 2 0 333.432 2.529 20 5 EFBDRP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134078479 472871473 /nfs/dbraw/zinc/87/14/73/472871473.db2.gz FIUCOIORIZAYQW-HWKANZROSA-N 2 0 345.443 2.652 20 5 EFBDRP O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000151335370 473445302 /nfs/dbraw/zinc/44/53/02/473445302.db2.gz UBPYEXYNGFVKAI-UHFFFAOYSA-N 2 0 342.399 2.581 20 5 EFBDRP C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768174 473509691 /nfs/dbraw/zinc/50/96/91/473509691.db2.gz BDQAWZBWXVCKFU-GMBSWORKSA-N 2 0 347.459 2.871 20 5 EFBDRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282167539 473968824 /nfs/dbraw/zinc/96/88/24/473968824.db2.gz DTURXYQSMPCCRO-KRWDZBQOSA-N 2 0 334.464 2.662 20 5 EFBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282504348 474090286 /nfs/dbraw/zinc/09/02/86/474090286.db2.gz YKOZFBOYGUYEIC-INIZCTEOSA-N 2 0 348.491 2.532 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000247928112 474227624 /nfs/dbraw/zinc/22/76/24/474227624.db2.gz BTODGVLZHNFTEO-RDJZCZTQSA-N 2 0 335.448 2.791 20 5 EFBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247983854 474239721 /nfs/dbraw/zinc/23/97/21/474239721.db2.gz IQIABLLSYBDPSM-CRAIPNDOSA-N 2 0 333.432 2.780 20 5 EFBDRP Cc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000237668038 474454379 /nfs/dbraw/zinc/45/43/79/474454379.db2.gz SPGOIXBZRHKBGY-IYBDPMFKSA-N 2 0 335.448 2.882 20 5 EFBDRP C[NH+](C)C1CCN(CCNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000267158109 474605178 /nfs/dbraw/zinc/60/51/78/474605178.db2.gz FEBDFPNKZNQONZ-UHFFFAOYSA-N 2 0 343.431 2.581 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000344840349 474799635 /nfs/dbraw/zinc/79/96/35/474799635.db2.gz DEDXVRFGDAYDMR-KVVHSQDJSA-N 2 0 347.459 2.825 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000345045632 474843226 /nfs/dbraw/zinc/84/32/26/474843226.db2.gz WPTHBMCMRIMDNV-WJDWOHSUSA-N 2 0 347.459 2.823 20 5 EFBDRP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261610524 474994154 /nfs/dbraw/zinc/99/41/54/474994154.db2.gz BVXUIBHRQYRMBK-APWZRJJASA-N 2 0 341.411 2.648 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341464839 475062565 /nfs/dbraw/zinc/06/25/65/475062565.db2.gz SGSVHLSWZRRPMP-FRFSOERESA-N 2 0 346.431 2.528 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341464849 475062879 /nfs/dbraw/zinc/06/28/79/475062879.db2.gz SGSVHLSWZRRPMP-KMFMINBZSA-N 2 0 346.431 2.528 20 5 EFBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517065 475741015 /nfs/dbraw/zinc/74/10/15/475741015.db2.gz OCAGEENAVRZNIY-UHFFFAOYSA-N 2 0 333.432 2.958 20 5 EFBDRP CC[N@H+](CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)CC1CC1 ZINC000357089286 476223465 /nfs/dbraw/zinc/22/34/65/476223465.db2.gz UHWYAQXMUQKHKG-UHFFFAOYSA-N 2 0 349.479 2.625 20 5 EFBDRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000354189991 476491179 /nfs/dbraw/zinc/49/11/79/476491179.db2.gz JEVDOGWBAOGHKM-UHFFFAOYSA-N 2 0 349.456 2.991 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354412704 476645953 /nfs/dbraw/zinc/64/59/53/476645953.db2.gz QJOWPDVMTXHHLD-UHFFFAOYSA-N 2 0 348.447 2.505 20 5 EFBDRP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422919457 476847216 /nfs/dbraw/zinc/84/72/16/476847216.db2.gz KBOUPVWJUKAFCB-IPMKNSEASA-N 2 0 347.459 2.664 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430552220 476855067 /nfs/dbraw/zinc/85/50/67/476855067.db2.gz NAXZTLXQNJVLDO-OAHLLOKOSA-N 2 0 336.436 2.537 20 5 EFBDRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000430590006 476872915 /nfs/dbraw/zinc/87/29/15/476872915.db2.gz JPYWPBSYYWRMGK-UHFFFAOYSA-N 2 0 348.447 2.553 20 5 EFBDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000414190739 476873971 /nfs/dbraw/zinc/87/39/71/476873971.db2.gz RMXZAWORKKJXIR-OWCLPIDISA-N 2 0 335.452 2.597 20 5 EFBDRP CC1CC[NH+](CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518596 477001937 /nfs/dbraw/zinc/00/19/37/477001937.db2.gz OCBILSNGIVTKRB-SJORKVTESA-N 2 0 349.479 2.987 20 5 EFBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541228 477007114 /nfs/dbraw/zinc/00/71/14/477007114.db2.gz FXIWSDIBOZEZNE-IKGGRYGDSA-N 2 0 349.479 2.985 20 5 EFBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541231 477008256 /nfs/dbraw/zinc/00/82/56/477008256.db2.gz FXIWSDIBOZEZNE-IXDOHACOSA-N 2 0 349.479 2.985 20 5 EFBDRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000423415996 477026408 /nfs/dbraw/zinc/02/64/08/477026408.db2.gz BMXYVWFFWMQAGN-KLHDSHLOSA-N 2 0 335.452 2.630 20 5 EFBDRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375892988 477066051 /nfs/dbraw/zinc/06/60/51/477066051.db2.gz WSPWVNSMMUYCFA-APWZRJJASA-N 2 0 346.475 2.756 20 5 EFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000411303092 477187567 /nfs/dbraw/zinc/18/75/67/477187567.db2.gz GHWXJFJSNHMOGQ-YOEHRIQHSA-N 2 0 348.447 2.728 20 5 EFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000411303088 477187781 /nfs/dbraw/zinc/18/77/81/477187781.db2.gz GHWXJFJSNHMOGQ-RHSMWYFYSA-N 2 0 348.447 2.728 20 5 EFBDRP C[C@@H]1C[N@H+](CCC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000432366953 477202811 /nfs/dbraw/zinc/20/28/11/477202811.db2.gz DIJIXXAEZJSSGB-LWAXHKBTSA-N 2 0 333.432 2.699 20 5 EFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449159555 477463785 /nfs/dbraw/zinc/46/37/85/477463785.db2.gz HHJMAGLFXXHZAQ-CVEARBPZSA-N 2 0 347.459 2.616 20 5 EFBDRP CSC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000449334138 477552238 /nfs/dbraw/zinc/55/22/38/477552238.db2.gz IKPVSYYQASHIJR-CQSZACIVSA-N 2 0 337.489 2.943 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321135 477690371 /nfs/dbraw/zinc/69/03/71/477690371.db2.gz CIOPGQBIPJAQGR-GJZGRUSLSA-N 2 0 333.432 2.652 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321131 477690429 /nfs/dbraw/zinc/69/04/29/477690429.db2.gz CIOPGQBIPJAQGR-CABCVRRESA-N 2 0 333.432 2.652 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000592492836 478913605 /nfs/dbraw/zinc/91/36/05/478913605.db2.gz DKDNIZWJMDIHLP-UONOGXRCSA-N 2 0 344.415 2.948 20 5 EFBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592493407 478914042 /nfs/dbraw/zinc/91/40/42/478914042.db2.gz OWBVUZKFAWBGMN-JKSUJKDBSA-N 2 0 333.432 2.685 20 5 EFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000584113099 479018266 /nfs/dbraw/zinc/01/82/66/479018266.db2.gz AAIBGYDQLQMIQV-CYBMUJFWSA-N 2 0 342.399 2.560 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000565533746 479028884 /nfs/dbraw/zinc/02/88/84/479028884.db2.gz JMYWZAPJGUNTBN-FGTMMUONSA-N 2 0 333.432 2.874 20 5 EFBDRP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901606 479060352 /nfs/dbraw/zinc/06/03/52/479060352.db2.gz YTKCCRRCUHOWOT-MRXNPFEDSA-N 2 0 333.432 2.685 20 5 EFBDRP C[NH+](C)CCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602523661 479380159 /nfs/dbraw/zinc/38/01/59/479380159.db2.gz DWQCFMREVGFCNK-UHFFFAOYSA-N 2 0 336.255 2.850 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593730841 479437677 /nfs/dbraw/zinc/43/76/77/479437677.db2.gz IFDJJGOTSGQRMA-PBHICJAKSA-N 2 0 348.447 2.681 20 5 EFBDRP O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCCC[NH+]1CCCC1)OCCO2 ZINC000590193610 479616677 /nfs/dbraw/zinc/61/66/77/479616677.db2.gz MGRNRKAGXZGASJ-UHFFFAOYSA-N 2 0 349.431 2.722 20 5 EFBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154272592 529145006 /nfs/dbraw/zinc/14/50/06/529145006.db2.gz RDOCVBJTPLOYJY-INIZCTEOSA-N 2 0 334.464 2.581 20 5 EFBDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160247726 529165324 /nfs/dbraw/zinc/16/53/24/529165324.db2.gz DIXNONUKARKYDT-GOSISDBHSA-N 2 0 334.464 2.662 20 5 EFBDRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435382629 535065804 /nfs/dbraw/zinc/06/58/04/535065804.db2.gz BCLVKJFUNUARMS-QGZVFWFLSA-N 2 0 345.447 2.801 20 5 EFBDRP C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000754465911 575439154 /nfs/dbraw/zinc/43/91/54/575439154.db2.gz QFBOBEQRNOCBEO-ZSZQSSIHSA-N 2 0 347.459 2.871 20 5 EFBDRP C[NH+]1CCC([C@H]2CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000755776638 575631705 /nfs/dbraw/zinc/63/17/05/575631705.db2.gz AXZFOSBMCZNHQU-INIZCTEOSA-N 2 0 343.431 2.566 20 5 EFBDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761526441 576174900 /nfs/dbraw/zinc/17/49/00/576174900.db2.gz CXFDVSXTFIGGCZ-UHFFFAOYSA-N 2 0 341.839 2.573 20 5 EFBDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923349037 1261516978 /nfs/dbraw/zinc/51/69/78/1261516978.db2.gz OHPUEQLVMUVAMO-NSHDSACASA-N 2 0 342.237 2.918 20 5 EFBDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923480044 1261749201 /nfs/dbraw/zinc/74/92/01/1261749201.db2.gz UILIVEAEJOKMGI-SNVBAGLBSA-N 2 0 328.210 2.528 20 5 EFBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923510258 1261813407 /nfs/dbraw/zinc/81/34/07/1261813407.db2.gz YEIVPBGEMMYBAE-BEFAXECRSA-N 2 0 347.459 2.730 20 5 EFBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923510259 1261813687 /nfs/dbraw/zinc/81/36/87/1261813687.db2.gz YEIVPBGEMMYBAE-DNVCBOLYSA-N 2 0 347.459 2.730 20 5 EFBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923510260 1261814305 /nfs/dbraw/zinc/81/43/05/1261814305.db2.gz YEIVPBGEMMYBAE-HNAYVOBHSA-N 2 0 347.459 2.730 20 5 EFBDRP [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc4c(cc3[N+](=O)[O-])C[NH2+]C4)c2C1 ZINC001171092690 1278594187 /nfs/dbraw/zinc/59/41/87/1278594187.db2.gz DGPQNSGKDGYPLN-CQSZACIVSA-N 2 0 348.406 2.958 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997785 1272574814 /nfs/dbraw/zinc/57/48/14/1272574814.db2.gz FWAKWSTUCXXEAI-XLAORIBOSA-N 2 0 332.448 2.599 20 5 EFBDRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998468 1272575342 /nfs/dbraw/zinc/57/53/42/1272575342.db2.gz NJHKKWFULMIQRF-NVXWUHKLSA-N 2 0 335.423 2.607 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997783 1272575459 /nfs/dbraw/zinc/57/54/59/1272575459.db2.gz FWAKWSTUCXXEAI-BRSBDYLESA-N 2 0 332.448 2.599 20 5 EFBDRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)C[C@H]3C2)cc1 ZINC001169025178 1272621340 /nfs/dbraw/zinc/62/13/40/1272621340.db2.gz XZKPMQQAQXJLLF-UAFMIMERSA-N 2 0 343.471 2.804 20 5 EFBDRP CCOC(=O)C1(Nc2ccccc2C[N+](C)(C)CC)CC[NH+](C)CC1 ZINC001169492605 1272984635 /nfs/dbraw/zinc/98/46/35/1272984635.db2.gz XUUBJYSVDZVXCK-UHFFFAOYSA-N 2 0 348.511 2.722 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170297712 1278981352 /nfs/dbraw/zinc/98/13/52/1278981352.db2.gz QUKNRVZLYHSNPF-CABCVRRESA-N 2 0 335.448 2.856 20 5 EFBDRP CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170298019 1278981503 /nfs/dbraw/zinc/98/15/03/1278981503.db2.gz YGTWFYJYLOOJHZ-CQSZACIVSA-N 2 0 335.448 2.998 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]CC23CC[NH+](CC2)CC3)c([N+](=O)[O-])c1 ZINC001170305657 1278992073 /nfs/dbraw/zinc/99/20/73/1278992073.db2.gz OTSVNBNHKAHQLV-AWEZNQCLSA-N 2 0 333.432 2.610 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001170309492 1279032688 /nfs/dbraw/zinc/03/26/88/1279032688.db2.gz QWPMECBWZIKFND-HNKHHVNMSA-N 2 0 333.432 2.749 20 5 EFBDRP CC[N@H+](CCn1ccnc1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355313 1279035065 /nfs/dbraw/zinc/03/50/65/1279035065.db2.gz ZNBWWWNMUDJSJT-AWEZNQCLSA-N 2 0 332.404 2.753 20 5 EFBDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960064 1276550123 /nfs/dbraw/zinc/55/01/23/1276550123.db2.gz WXMBSJXEHGFBEP-QAPCUYQASA-N 2 0 335.448 2.730 20 5 EFBDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959837 1276560546 /nfs/dbraw/zinc/56/05/46/1276560546.db2.gz USAJXANMPXPESC-CRAIPNDOSA-N 2 0 335.448 2.730 20 5 EFBDRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819142012 1276627030 /nfs/dbraw/zinc/62/70/30/1276627030.db2.gz LYXHEEOGBZUTEF-LJQANCHMSA-N 2 0 349.475 2.976 20 5 EFBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCC[NH+](C)C ZINC000872065379 1287417838 /nfs/dbraw/zinc/41/78/38/1287417838.db2.gz ZYSPKRQUTPTAOR-GFCCVEGCSA-N 2 0 327.450 2.546 20 5 EFBDRP CC[NH+]1C[C@@H]2C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]2C1 ZINC001172912800 1286353100 /nfs/dbraw/zinc/35/31/00/1286353100.db2.gz MHWFTGWFJMADSR-KURKYZTESA-N 2 0 329.444 2.726 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1F ZINC001173176538 1286452366 /nfs/dbraw/zinc/45/23/66/1286452366.db2.gz HVGSWPIMRDMWMN-STQMWFEESA-N 2 0 339.411 2.605 20 5 EFBDRP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873289132 1289704981 /nfs/dbraw/zinc/70/49/81/1289704981.db2.gz FQJYTWUEIRPIDD-DLBZAZTESA-N 2 0 333.432 2.794 20 5 EFBDRP CC1(C)[C@H]([NH3+])C[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000883443059 1293596058 /nfs/dbraw/zinc/59/60/58/1293596058.db2.gz ZCGATAQQKMTURY-VXGBXAGGSA-N 2 0 328.210 2.573 20 5 EFBDRP [NH3+]CCc1cn(-c2nccc3ccc([N+](=O)[O-])cc32)c2cc[nH+]cc12 ZINC001160950061 1311819511 /nfs/dbraw/zinc/81/95/11/1311819511.db2.gz IPYJXWSYZIPINU-UHFFFAOYSA-N 2 0 333.351 2.983 20 5 EFBDRP CC(C)Oc1nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)ccc1[N+](=O)[O-] ZINC001160951243 1311820020 /nfs/dbraw/zinc/82/00/20/1311820020.db2.gz BBTFNZHKGFUSSC-UHFFFAOYSA-N 2 0 341.371 2.617 20 5 EFBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001163122173 1312245850 /nfs/dbraw/zinc/24/58/50/1312245850.db2.gz CWEOHFSJCPUSBU-UHFFFAOYSA-N 2 0 344.419 2.729 20 5 EFBDRP CC[N+](C)(C)Cc1ccccc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163286164 1312282637 /nfs/dbraw/zinc/28/26/37/1312282637.db2.gz ZFVSQVOIIUYMMN-PXNSSMCTSA-N 2 0 332.512 2.854 20 5 EFBDRP C[NH+](C)Cc1cccc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c1 ZINC001163994973 1312422780 /nfs/dbraw/zinc/42/27/80/1312422780.db2.gz XVTRQRIGJQJLHR-UHFFFAOYSA-N 2 0 326.400 2.872 20 5 EFBDRP C[C@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC001246095565 1314582722 /nfs/dbraw/zinc/58/27/22/1314582722.db2.gz KYTZKEFBXXSYGZ-LSDHHAIUSA-N 2 0 332.448 2.541 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@]13CCC[C@H]1C[NH2+]C3)CC2 ZINC001246125061 1314585897 /nfs/dbraw/zinc/58/58/97/1314585897.db2.gz CIVJGDCUWOGEKQ-YQVWRLOYSA-N 2 0 329.444 2.822 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1F ZINC001246205366 1314597243 /nfs/dbraw/zinc/59/72/43/1314597243.db2.gz NKLSLYNUVXSGEU-QJPTWQEYSA-N 2 0 325.384 2.533 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)C1 ZINC001246397273 1314622397 /nfs/dbraw/zinc/62/23/97/1314622397.db2.gz BVMZUDLBGHFKDN-BVGQSLNGSA-N 2 0 335.423 2.901 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@](C)([NH3+])CC2)c1F ZINC001246553373 1314646292 /nfs/dbraw/zinc/64/62/92/1314646292.db2.gz RAWCYAIBLWYTJW-SJCJKPOMSA-N 2 0 339.411 2.877 20 5 EFBDRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001246558444 1314647437 /nfs/dbraw/zinc/64/74/37/1314647437.db2.gz QDUNHOLCODDJBW-LSDHHAIUSA-N 2 0 339.386 2.758 20 5 EFBDRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246557964 1314647885 /nfs/dbraw/zinc/64/78/85/1314647885.db2.gz LZOGWASNRSPCIK-SJLPKXTDSA-N 2 0 335.423 2.995 20 5 EFBDRP C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC[C@H]1C[NH3+] ZINC001246563266 1314649672 /nfs/dbraw/zinc/64/96/72/1314649672.db2.gz CPKXWGCKJCOCPO-HOTGVXAUSA-N 2 0 346.475 2.870 20 5 EFBDRP [NH3+]C[C@H]1CCCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246589258 1314652421 /nfs/dbraw/zinc/65/24/21/1314652421.db2.gz DRKZNSOBYSGLRF-OAHLLOKOSA-N 2 0 332.448 2.624 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609868 1314657609 /nfs/dbraw/zinc/65/76/09/1314657609.db2.gz OXTCQSJZMRVLBC-PKOBYXMFSA-N 2 0 329.444 2.918 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246625841 1314659370 /nfs/dbraw/zinc/65/93/70/1314659370.db2.gz FPPXDMLVBNCPMG-PKOBYXMFSA-N 2 0 329.444 2.918 20 5 EFBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2c(F)ccc([N+](=O)[O-])c2F)CC1 ZINC001215292288 1314810755 /nfs/dbraw/zinc/81/07/55/1314810755.db2.gz QTNWNJQPRNPFKS-UHFFFAOYSA-N 2 0 349.341 2.763 20 5 EFBDRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219553930 1315322694 /nfs/dbraw/zinc/32/26/94/1315322694.db2.gz RBCPLNWSNXVRND-FQEVSTJZSA-N 2 0 335.451 2.541 20 5 EFBDRP C[NH+](C)CCC(C)(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254468591 1315706951 /nfs/dbraw/zinc/70/69/51/1315706951.db2.gz OFPHGURAYHVJKQ-UHFFFAOYSA-N 2 0 334.464 2.884 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001254585709 1315728098 /nfs/dbraw/zinc/72/80/98/1315728098.db2.gz NDGLPAZSESNPOH-QGZVFWFLSA-N 2 0 329.444 2.916 20 5 EFBDRP COCC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC[NH2+]CC1 ZINC000262295889 714638181 /nfs/dbraw/zinc/63/81/81/714638181.db2.gz WRRCYUWQOJZDKP-UHFFFAOYSA-N 2 0 344.415 2.880 20 5 EFBDRP C[N@@H+](Cc1ccccc1)CC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000171041568 728509993 /nfs/dbraw/zinc/50/99/93/728509993.db2.gz LBWLHDZTLPVVMT-UHFFFAOYSA-N 2 0 343.431 2.593 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001574981061 1088185995 /nfs/dbraw/zinc/18/59/95/1088185995.db2.gz ZGTQTIQGPSJSMT-IDGGIGOKSA-N 2 0 345.443 2.828 20 5 EFBDRP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C1CC1 ZINC000131167028 1119912590 /nfs/dbraw/zinc/91/25/90/1119912590.db2.gz WOYZCAJPZALDIQ-CQSZACIVSA-N 2 0 332.448 2.636 20 5 EFBDRP C[C@H]1C[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000414711668 244301245 /nfs/dbraw/zinc/30/12/45/244301245.db2.gz SUZRIEHOROFZCG-GJZGRUSLSA-N 2 0 333.432 2.826 20 5 EFBDRP CC(C)c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000441384826 250027465 /nfs/dbraw/zinc/02/74/65/250027465.db2.gz QXAQMQFRZMQTFM-UHFFFAOYSA-N 2 0 348.491 2.834 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449559145 251066236 /nfs/dbraw/zinc/06/62/36/251066236.db2.gz AZOSWEJXYNECMT-IICXIOTHSA-N 2 0 346.431 2.527 20 5 EFBDRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000344634262 142052715 /nfs/dbraw/zinc/05/27/15/142052715.db2.gz RYLGQJNBSMBOCD-CJNGLKHVSA-N 2 0 343.431 2.568 20 5 EFBDRP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351502202 146131954 /nfs/dbraw/zinc/13/19/54/146131954.db2.gz KRPSXJVTTWAEHY-HOTGVXAUSA-N 2 0 335.452 2.739 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363874107 149025344 /nfs/dbraw/zinc/02/53/44/149025344.db2.gz HAQPIFVNTWDZPZ-IBGZPJMESA-N 2 0 346.475 2.504 20 5 EFBDRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000278304510 267394863 /nfs/dbraw/zinc/39/48/63/267394863.db2.gz DGWGMYMRJAGCOJ-UHFFFAOYSA-N 2 0 349.431 2.576 20 5 EFBDRP CS[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000340783292 274186431 /nfs/dbraw/zinc/18/64/31/274186431.db2.gz QWCMRAFGXJEUFG-IRXDYDNUSA-N 2 0 346.456 2.933 20 5 EFBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193301488 274209691 /nfs/dbraw/zinc/20/96/91/274209691.db2.gz AROUTWFSKHWUMZ-KXBFYZLASA-N 2 0 346.475 2.588 20 5 EFBDRP O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422940830 275035555 /nfs/dbraw/zinc/03/55/55/275035555.db2.gz JGLQAYHBQWAQCJ-PKOBYXMFSA-N 2 0 339.395 2.940 20 5 EFBDRP C[NH+](C)CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447596783 276780514 /nfs/dbraw/zinc/78/05/14/276780514.db2.gz DILHWGNGQCBWJU-CVEARBPZSA-N 2 0 349.479 2.987 20 5 EFBDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000414190737 277073450 /nfs/dbraw/zinc/07/34/50/277073450.db2.gz RMXZAWORKKJXIR-OAGGEKHMSA-N 2 0 335.452 2.597 20 5 EFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000447567695 280377335 /nfs/dbraw/zinc/37/73/35/280377335.db2.gz DHGOBEFMGDTFGJ-SJORKVTESA-N 2 0 347.463 2.739 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132476516 293228638 /nfs/dbraw/zinc/22/86/38/293228638.db2.gz KCWYHOVSSNNFBI-LPHOPBHVSA-N 2 0 348.491 2.826 20 5 EFBDRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154395486 293424407 /nfs/dbraw/zinc/42/44/07/293424407.db2.gz IEQZWRAAWIVBLC-GOSISDBHSA-N 2 0 334.464 2.663 20 5 EFBDRP Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414998085 312074305 /nfs/dbraw/zinc/07/43/05/312074305.db2.gz HUSGBCQPRQMOHS-CJNGLKHVSA-N 2 0 343.431 2.602 20 5 EFBDRP Cn1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414998082 312074489 /nfs/dbraw/zinc/07/44/89/312074489.db2.gz HUSGBCQPRQMOHS-BBRMVZONSA-N 2 0 343.431 2.602 20 5 EFBDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000415133296 312100404 /nfs/dbraw/zinc/10/04/04/312100404.db2.gz VBABNQVKCDSETC-BHSKVQTESA-N 2 0 345.443 2.826 20 5 EFBDRP C[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000417302675 312206288 /nfs/dbraw/zinc/20/62/88/312206288.db2.gz CSDNVPFWLQAFAJ-BEFAXECRSA-N 2 0 346.475 2.588 20 5 EFBDRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417324121 312208822 /nfs/dbraw/zinc/20/88/22/312208822.db2.gz POOURSLGVIVNLD-SFHVURJKSA-N 2 0 335.448 2.920 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566475047 319082111 /nfs/dbraw/zinc/08/21/11/319082111.db2.gz JFLYEWGIDGHVBK-SFHVURJKSA-N 2 0 346.475 2.589 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000124439685 473245985 /nfs/dbraw/zinc/24/59/85/473245985.db2.gz BUEVXDUYIUBPLJ-MRXNPFEDSA-N 2 0 348.491 2.827 20 5 EFBDRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000124489252 473251990 /nfs/dbraw/zinc/25/19/90/473251990.db2.gz NBXDBYQBNMMBOW-IBGZPJMESA-N 2 0 348.491 2.909 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154491260 472439412 /nfs/dbraw/zinc/43/94/12/472439412.db2.gz RHSPBHPFGGTEEK-KRWDZBQOSA-N 2 0 348.491 2.972 20 5 EFBDRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000128506897 472460980 /nfs/dbraw/zinc/46/09/80/472460980.db2.gz XFXVSAYLSYTIAU-GOSISDBHSA-N 2 0 334.464 2.663 20 5 EFBDRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120999456 472781209 /nfs/dbraw/zinc/78/12/09/472781209.db2.gz MDXSZIDSCNIYAH-MAUKXSAKSA-N 2 0 334.464 2.519 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000121216822 472818019 /nfs/dbraw/zinc/81/80/19/472818019.db2.gz DRTQSCAKUPPCQO-DOTOQJQBSA-N 2 0 348.491 2.827 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121343448 472838380 /nfs/dbraw/zinc/83/83/80/472838380.db2.gz JGMMYWJMXPTADI-CVEARBPZSA-N 2 0 334.464 2.519 20 5 EFBDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000075007392 473111168 /nfs/dbraw/zinc/11/11/68/473111168.db2.gz PVDJSJRLIPRSEV-UHFFFAOYSA-N 2 0 335.448 2.918 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000160709067 473164091 /nfs/dbraw/zinc/16/40/91/473164091.db2.gz UBHOXVROULPWRV-HZPDHXFCSA-N 2 0 335.448 2.791 20 5 EFBDRP C[NH+](C)C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000114479124 473472578 /nfs/dbraw/zinc/47/25/78/473472578.db2.gz JUYGNKBOGIBPHI-CQSZACIVSA-N 2 0 344.415 2.676 20 5 EFBDRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192787131 473724887 /nfs/dbraw/zinc/72/48/87/473724887.db2.gz BBTRSRRFZNFHRO-INIZCTEOSA-N 2 0 334.464 2.662 20 5 EFBDRP O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246990577 474029014 /nfs/dbraw/zinc/02/90/14/474029014.db2.gz WKABNAWQTFXHEA-HNAYVOBHSA-N 2 0 345.443 2.922 20 5 EFBDRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)CC1 ZINC000182766913 474251771 /nfs/dbraw/zinc/25/17/71/474251771.db2.gz WPUMLRQKTOHLLY-FUHWJXTLSA-N 2 0 346.475 2.676 20 5 EFBDRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248167588 474275315 /nfs/dbraw/zinc/27/53/15/474275315.db2.gz UBHOXVROULPWRV-HOTGVXAUSA-N 2 0 335.448 2.791 20 5 EFBDRP COC[C@@]1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCC[NH2+]1 ZINC000261713151 475035854 /nfs/dbraw/zinc/03/58/54/475035854.db2.gz PXROKKXSWNSXAZ-KRWDZBQOSA-N 2 0 330.388 2.632 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341464858 475062374 /nfs/dbraw/zinc/06/23/74/475062374.db2.gz SGSVHLSWZRRPMP-UKPHBRMFSA-N 2 0 346.431 2.528 20 5 EFBDRP C[NH+](C)C1CCN(CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297533954 475796731 /nfs/dbraw/zinc/79/67/31/475796731.db2.gz PJCMEPNPXFNCFU-UHFFFAOYSA-N 2 0 343.431 2.581 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357061073 476197553 /nfs/dbraw/zinc/19/75/53/476197553.db2.gz ZHIOTBHRPKFECA-OAHLLOKOSA-N 2 0 333.432 2.815 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422632644 476724713 /nfs/dbraw/zinc/72/47/13/476724713.db2.gz HCSRRBKHEMRZEX-ZNMIVQPWSA-N 2 0 348.447 2.537 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430552218 476854917 /nfs/dbraw/zinc/85/49/17/476854917.db2.gz NAXZTLXQNJVLDO-HNNXBMFYSA-N 2 0 336.436 2.537 20 5 EFBDRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000370638465 476908979 /nfs/dbraw/zinc/90/89/79/476908979.db2.gz XSAXOPVZJUNRJU-QFBILLFUSA-N 2 0 346.475 2.804 20 5 EFBDRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447547580 477009494 /nfs/dbraw/zinc/00/94/94/477009494.db2.gz CQHVDMWCAKEEHE-OWCLPIDISA-N 2 0 335.452 2.597 20 5 EFBDRP Cc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000371415249 477304418 /nfs/dbraw/zinc/30/44/18/477304418.db2.gz ALOOXXMSASQYKQ-UHFFFAOYSA-N 2 0 347.459 2.838 20 5 EFBDRP CCc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420239538 477645597 /nfs/dbraw/zinc/64/55/97/477645597.db2.gz PKWWBPBPXRQYNL-ZFWWWQNUSA-N 2 0 341.415 2.718 20 5 EFBDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420363104 477721787 /nfs/dbraw/zinc/72/17/87/477721787.db2.gz NTAAVBOKIYRHST-MRXNPFEDSA-N 2 0 344.415 2.770 20 5 EFBDRP Cc1c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000420395942 477746206 /nfs/dbraw/zinc/74/62/06/477746206.db2.gz UVZWDAXHNCVFJS-WMZOPIPTSA-N 2 0 333.432 2.622 20 5 EFBDRP COc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000459380334 477875000 /nfs/dbraw/zinc/87/50/00/477875000.db2.gz BFOVVERROLWPPC-UHFFFAOYSA-N 2 0 342.399 2.757 20 5 EFBDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000420984403 477876893 /nfs/dbraw/zinc/87/68/93/477876893.db2.gz SZDPAVQCGHEQBJ-UHFFFAOYSA-N 2 0 346.475 2.587 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421370529 478060455 /nfs/dbraw/zinc/06/04/55/478060455.db2.gz JQZVNYRUQLRXNM-HLIUYOAVSA-N 2 0 348.447 2.774 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459729790 478064125 /nfs/dbraw/zinc/06/41/25/478064125.db2.gz DQQUOIFRZRWWLY-LSDHHAIUSA-N 2 0 348.447 2.633 20 5 EFBDRP CCCC[N@H+](C)CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488207791 478130318 /nfs/dbraw/zinc/13/03/18/478130318.db2.gz CSHNKTXLJCCDHL-UHFFFAOYSA-N 2 0 343.431 2.926 20 5 EFBDRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433571 478893827 /nfs/dbraw/zinc/89/38/27/478893827.db2.gz DJQIEAAWQKRBKY-CVEARBPZSA-N 2 0 333.432 2.815 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC000592492830 478913087 /nfs/dbraw/zinc/91/30/87/478913087.db2.gz DKDNIZWJMDIHLP-KBPBESRZSA-N 2 0 344.415 2.948 20 5 EFBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492573 478913587 /nfs/dbraw/zinc/91/35/87/478913587.db2.gz AVDHZQCHPPGFNA-HUUCEWRRSA-N 2 0 333.432 2.815 20 5 EFBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592493405 478913940 /nfs/dbraw/zinc/91/39/40/478913940.db2.gz OWBVUZKFAWBGMN-HOTGVXAUSA-N 2 0 333.432 2.685 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000507442036 478923483 /nfs/dbraw/zinc/92/34/83/478923483.db2.gz JRYAOOKQASRNEN-AWEZNQCLSA-N 2 0 348.447 2.633 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000546018348 478996464 /nfs/dbraw/zinc/99/64/64/478996464.db2.gz WGHIAQPTYHQGCC-JKSUJKDBSA-N 2 0 334.464 2.580 20 5 EFBDRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000602021169 479141240 /nfs/dbraw/zinc/14/12/40/479141240.db2.gz ODVSLRFRSPMRSH-CYBMUJFWSA-N 2 0 327.388 2.573 20 5 EFBDRP Cc1ccc([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1[N+](=O)[O-] ZINC000602023458 479143572 /nfs/dbraw/zinc/14/35/72/479143572.db2.gz XKBATQIKTKSLKI-CQSZACIVSA-N 2 0 341.415 2.881 20 5 EFBDRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599070648 479148877 /nfs/dbraw/zinc/14/88/77/479148877.db2.gz MUOQBDQHHDXZRD-PMPSAXMXSA-N 2 0 335.452 2.597 20 5 EFBDRP C[NH+](C)CCOc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602517164 479377543 /nfs/dbraw/zinc/37/75/43/479377543.db2.gz WOVQXKGUQCLYFQ-UHFFFAOYSA-N 2 0 343.427 2.868 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593730843 479437273 /nfs/dbraw/zinc/43/72/73/479437273.db2.gz IFDJJGOTSGQRMA-WMLDXEAASA-N 2 0 348.447 2.681 20 5 EFBDRP Cc1c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593739158 479440390 /nfs/dbraw/zinc/44/03/90/479440390.db2.gz YKUSXRFNIRDNIP-LZLYRXPVSA-N 2 0 333.432 2.622 20 5 EFBDRP Cc1c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593739157 479440513 /nfs/dbraw/zinc/44/05/13/479440513.db2.gz YKUSXRFNIRDNIP-JZXOWHBKSA-N 2 0 333.432 2.622 20 5 EFBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000154262848 521682062 /nfs/dbraw/zinc/68/20/62/521682062.db2.gz DYKZMNOAPHBTQL-MRXNPFEDSA-N 2 0 334.464 2.581 20 5 EFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192670560 535729789 /nfs/dbraw/zinc/72/97/89/535729789.db2.gz NWEUXLGLMKSUBY-HNAYVOBHSA-N 2 0 346.475 2.588 20 5 EFBDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000755779061 575632300 /nfs/dbraw/zinc/63/23/00/575632300.db2.gz PZMMPPBRWUZSCT-OAHLLOKOSA-N 2 0 343.431 2.566 20 5 EFBDRP CC(C)[N@H+](C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764806621 576506024 /nfs/dbraw/zinc/50/60/24/576506024.db2.gz OSHDRFSMUQSJBL-UHFFFAOYSA-N 2 0 334.464 2.884 20 5 EFBDRP CC[NH+]1CCC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000765769072 577074421 /nfs/dbraw/zinc/07/44/21/577074421.db2.gz QMOUSBXUUHDEAL-UHFFFAOYSA-N 2 0 346.475 2.885 20 5 EFBDRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850580746 1250546374 /nfs/dbraw/zinc/54/63/74/1250546374.db2.gz AUHQCQZNFMTNCG-ZDUSSCGKSA-N 2 0 332.448 2.950 20 5 EFBDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843113547 1259894631 /nfs/dbraw/zinc/89/46/31/1259894631.db2.gz WRYLSKAGNIWPSB-LLVKDONJSA-N 2 0 342.237 2.918 20 5 EFBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168968056 1272559199 /nfs/dbraw/zinc/55/91/99/1272559199.db2.gz VFCSPVGFIBFMAC-RBUKOAKNSA-N 2 0 331.460 2.934 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001168968165 1272559366 /nfs/dbraw/zinc/55/93/66/1272559366.db2.gz XEQHIDMICOIQKQ-JAZQRGJZSA-N 2 0 343.471 2.932 20 5 EFBDRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998469 1272574588 /nfs/dbraw/zinc/57/45/88/1272574588.db2.gz NJHKKWFULMIQRF-RDJZCZTQSA-N 2 0 335.423 2.607 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168998317 1272574906 /nfs/dbraw/zinc/57/49/06/1272574906.db2.gz LFTHXZQWGRYURE-LAQRGFTBSA-N 2 0 332.448 2.599 20 5 EFBDRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039216 1272607848 /nfs/dbraw/zinc/60/78/48/1272607848.db2.gz OAJOVEZSFQMAEG-CEXWTWQISA-N 2 0 331.460 2.886 20 5 EFBDRP CC1(C)C[C@H](NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577486 1276230232 /nfs/dbraw/zinc/23/02/32/1276230232.db2.gz ONGBNKINZAYTTL-VKJFTORMSA-N 2 0 345.443 2.770 20 5 EFBDRP CCC[N@H+]1C[C@H]2CN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001170354953 1279033133 /nfs/dbraw/zinc/03/31/33/1279033133.db2.gz SKWUVPDUZXEKRS-BHYGNILZSA-N 2 0 347.459 2.808 20 5 EFBDRP CCC[N@H+]1C[C@H]2CN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001170354955 1279033310 /nfs/dbraw/zinc/03/33/10/1279033310.db2.gz SKWUVPDUZXEKRS-OIISXLGYSA-N 2 0 347.459 2.808 20 5 EFBDRP COc1ccc(C[C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC001170353455 1279034862 /nfs/dbraw/zinc/03/48/62/1279034862.db2.gz YJWZSFRTMODVKR-KSSFIOAISA-N 2 0 333.432 2.562 20 5 EFBDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818960366 1276550388 /nfs/dbraw/zinc/55/03/88/1276550388.db2.gz YQOQJHCNRSXJOS-QAPCUYQASA-N 2 0 335.448 2.872 20 5 EFBDRP COc1ccc(C[C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC001170351817 1279059306 /nfs/dbraw/zinc/05/93/06/1279059306.db2.gz JRRYKBWEMQOEFB-OAHLLOKOSA-N 2 0 347.459 2.952 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC001170351816 1279059367 /nfs/dbraw/zinc/05/93/67/1279059367.db2.gz JRRYKBWEMQOEFB-HNNXBMFYSA-N 2 0 347.459 2.952 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH+]2CC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC001170352047 1279059784 /nfs/dbraw/zinc/05/97/84/1279059784.db2.gz KGHWPQOGUYGGNI-CQSZACIVSA-N 2 0 333.432 2.562 20 5 EFBDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872222771 1287484508 /nfs/dbraw/zinc/48/45/08/1287484508.db2.gz DMEKYWRSAFYOGA-SFHVURJKSA-N 2 0 335.448 2.728 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC[NH+]2CCCC2)c1F ZINC001173175426 1286451372 /nfs/dbraw/zinc/45/13/72/1286451372.db2.gz NEPPILOPRKTFTR-CYBMUJFWSA-N 2 0 339.411 2.749 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1F ZINC001173190009 1286458034 /nfs/dbraw/zinc/45/80/34/1286458034.db2.gz TXJPRKVOTUFHSV-GFCCVEGCSA-N 2 0 341.427 2.851 20 5 EFBDRP Cc1c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873054929 1289542914 /nfs/dbraw/zinc/54/29/14/1289542914.db2.gz AULCUFQCEFZMJQ-GJZGRUSLSA-N 2 0 335.448 2.882 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000873077798 1289556480 /nfs/dbraw/zinc/55/64/80/1289556480.db2.gz FNJLBFLQIIRDTR-UHFFFAOYSA-N 2 0 335.448 2.537 20 5 EFBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccc([N+](=O)[O-])c2F)CC1 ZINC001210380724 1314323954 /nfs/dbraw/zinc/32/39/54/1314323954.db2.gz HVLZWBMPDSEWCP-UHFFFAOYSA-N 2 0 331.351 2.624 20 5 EFBDRP Cc1cc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc1Cl ZINC001160945841 1311817280 /nfs/dbraw/zinc/81/72/80/1311817280.db2.gz ORMBMYJQIJKUBH-UHFFFAOYSA-N 2 0 331.763 2.792 20 5 EFBDRP C[C@@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC001246095560 1314582672 /nfs/dbraw/zinc/58/26/72/1314582672.db2.gz KYTZKEFBXXSYGZ-CABCVRRESA-N 2 0 332.448 2.541 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+][C@@H]2C)c1F ZINC001246105134 1314583514 /nfs/dbraw/zinc/58/35/14/1314583514.db2.gz ARNCLFWLTKQLPV-XQQFMLRXSA-N 2 0 339.411 2.651 20 5 EFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001246109350 1314584362 /nfs/dbraw/zinc/58/43/62/1314584362.db2.gz OCZGRLQKWSIQSY-AWEZNQCLSA-N 2 0 325.412 2.961 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001246113584 1314584555 /nfs/dbraw/zinc/58/45/55/1314584555.db2.gz UCWVICIWSJFLDR-YCPHGPKFSA-N 2 0 335.448 2.760 20 5 EFBDRP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[NH2+]C1 ZINC001246113974 1314584645 /nfs/dbraw/zinc/58/46/45/1314584645.db2.gz OPUYXZWMHMVQKR-ZBFHGGJFSA-N 2 0 332.448 2.541 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCC[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246142927 1314589351 /nfs/dbraw/zinc/58/93/51/1314589351.db2.gz CPMZCSFWXYXVNU-KCITZHQASA-N 2 0 329.444 2.820 20 5 EFBDRP [NH3+][C@@]12CC[C@@]([NH2+]C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)(C1)CCC2 ZINC001246335241 1314612104 /nfs/dbraw/zinc/61/21/04/1314612104.db2.gz WHDWSTKHFKWRDK-RBUKOAKNSA-N 2 0 344.459 2.957 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+][C@@]23CC[C@@]([NH3+])(C2)CCC3)c([N+](=O)[O-])c1 ZINC001246343748 1314613283 /nfs/dbraw/zinc/61/32/83/1314613283.db2.gz ZFIDJUCFRHUZGA-XWIAVFTESA-N 2 0 333.432 2.928 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC[NH2+]CC2)C1 ZINC001246397276 1314622460 /nfs/dbraw/zinc/62/24/60/1314622460.db2.gz BVMZUDLBGHFKDN-XWIAVFTESA-N 2 0 335.423 2.901 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246401481 1314624122 /nfs/dbraw/zinc/62/41/22/1314624122.db2.gz SYXXTTPZCNRIIJ-QIIPPGSGSA-N 2 0 335.423 2.901 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246404194 1314624225 /nfs/dbraw/zinc/62/42/25/1314624225.db2.gz IZVVTCMBBWBKSB-JEBQAFNWSA-N 2 0 335.423 2.901 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246549363 1314645330 /nfs/dbraw/zinc/64/53/30/1314645330.db2.gz MEIPZYJPMDHSHA-SUMWQHHRSA-N 2 0 339.411 2.687 20 5 EFBDRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001246558442 1314648496 /nfs/dbraw/zinc/64/84/96/1314648496.db2.gz QDUNHOLCODDJBW-HUUCEWRRSA-N 2 0 339.386 2.758 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001246567498 1314648887 /nfs/dbraw/zinc/64/88/87/1314648887.db2.gz LGPJMKUZELHLBX-OFQRWUPVSA-N 2 0 335.448 2.841 20 5 EFBDRP C[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1C[NH3+] ZINC001246564625 1314649095 /nfs/dbraw/zinc/64/90/95/1314649095.db2.gz ZKGAASLELNHNTM-HOTGVXAUSA-N 2 0 346.475 2.870 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001246567497 1314649388 /nfs/dbraw/zinc/64/93/88/1314649388.db2.gz LGPJMKUZELHLBX-IJEWVQPXSA-N 2 0 335.448 2.841 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[C@@]34CCC[NH2+]C4)CC2)cc1 ZINC001246612044 1314656988 /nfs/dbraw/zinc/65/69/88/1314656988.db2.gz WMBCBOACTYJMFC-LJQANCHMSA-N 2 0 344.459 2.782 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246625839 1314658987 /nfs/dbraw/zinc/65/89/87/1314658987.db2.gz FPPXDMLVBNCPMG-MJGOQNOKSA-N 2 0 329.444 2.918 20 5 EFBDRP C[C@@H]([NH3+])C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001219372070 1315305649 /nfs/dbraw/zinc/30/56/49/1315305649.db2.gz XCHLCDIQFKJROL-SNVBAGLBSA-N 2 0 332.363 2.851 20 5 EFBDRP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254465526 1315706987 /nfs/dbraw/zinc/70/69/87/1315706987.db2.gz BEGGUZQFLACJIE-HNNXBMFYSA-N 2 0 332.448 2.638 20 5 EFBDRP [NH3+]CCCc1nccn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476364 1315707348 /nfs/dbraw/zinc/70/73/48/1315707348.db2.gz OLBOKOURZQLHFN-UHFFFAOYSA-N 2 0 329.404 2.524 20 5 EFBDRP C[NH+]1CCC(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000125486275 715806110 /nfs/dbraw/zinc/80/61/10/715806110.db2.gz RWFYHFHXTKSUPO-UHFFFAOYSA-N 2 0 346.475 2.885 20 5 EFBDRP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261602894 719723744 /nfs/dbraw/zinc/72/37/44/719723744.db2.gz AQUXABDYOZHBHV-APWZRJJASA-N 2 0 341.411 2.648 20 5 EFBDRP [NH3+]C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261678778 720001498 /nfs/dbraw/zinc/00/14/98/720001498.db2.gz IFSLQRPLRQIBPU-MJGOQNOKSA-N 2 0 325.412 2.812 20 5 EFBDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893366070 721033820 /nfs/dbraw/zinc/03/38/20/721033820.db2.gz ALLYLAPOVLSTLG-CQSZACIVSA-N 2 0 329.828 2.695 20 5 EFBDRP COc1c(O)ccc(C[NH2+]CCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000894625118 722801240 /nfs/dbraw/zinc/80/12/40/722801240.db2.gz AUHHLAJOWNOHCP-UHFFFAOYSA-N 2 0 337.420 2.665 20 5 EFBDRP CC(C)[C@H]1[NH2+]CC12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC001575521828 1088528869 /nfs/dbraw/zinc/52/88/69/1088528869.db2.gz GTMALGIHKRGJFL-QGZVFWFLSA-N 2 0 343.431 2.681 20 5 EFBDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH2+]CC2)o1)c1cccc([N+](=O)[O-])c1 ZINC001578233995 1090314545 /nfs/dbraw/zinc/31/45/45/1090314545.db2.gz DFERDGYHUDYOQC-KRWDZBQOSA-N 2 0 344.415 2.838 20 5 EFBDRP COc1ccc(-c2ccc(C[NH2+]CC3=CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC001579179392 1090536968 /nfs/dbraw/zinc/53/69/68/1090536968.db2.gz PRBILMDCUFWWHO-UHFFFAOYSA-N 2 0 343.383 2.873 20 5 EFBDRP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001580334714 1090866624 /nfs/dbraw/zinc/86/66/24/1090866624.db2.gz JNPDMNDCNFAQIJ-IZAXUBKRSA-N 2 0 325.412 2.786 20 5 EFBDRP O=C(C[NH2+]Cc1c2ccccc2cc2ccccc21)N1CC[NH2+]CC1 ZINC001580556600 1090947126 /nfs/dbraw/zinc/94/71/26/1090947126.db2.gz MCRZGEICXYFAOF-UHFFFAOYSA-N 2 0 333.435 2.514 20 5 EFBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447580402 282194366 /nfs/dbraw/zinc/19/43/66/282194366.db2.gz OKUMXJDZKJFPFA-JJXSEGSLSA-N 2 0 335.452 2.737 20 5 EFBDRP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[NH+]1C ZINC000072305209 216143749 /nfs/dbraw/zinc/14/37/49/216143749.db2.gz CDOSTTPFXZXHFO-INIZCTEOSA-N 2 0 348.447 2.730 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414784474 244348331 /nfs/dbraw/zinc/34/83/31/244348331.db2.gz RIJLTOGWOABSCR-CABCVRRESA-N 2 0 333.432 2.815 20 5 EFBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349062000 285281789 /nfs/dbraw/zinc/28/17/89/285281789.db2.gz KKQRYLOYXZIDEU-SFHVURJKSA-N 2 0 348.491 2.751 20 5 EFBDRP Cc1c(NC(=O)CC[NH+]2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000354419410 146708578 /nfs/dbraw/zinc/70/85/78/146708578.db2.gz YCICIYQMYKEMEP-UHFFFAOYSA-N 2 0 348.447 2.505 20 5 EFBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc([N+](=O)[O-])c1 ZINC000349071790 146047477 /nfs/dbraw/zinc/04/74/77/146047477.db2.gz HSTJYDBKZPCVTG-OAHLLOKOSA-N 2 0 340.493 2.504 20 5 EFBDRP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351502203 146132049 /nfs/dbraw/zinc/13/20/49/146132049.db2.gz KRPSXJVTTWAEHY-HZPDHXFCSA-N 2 0 335.452 2.739 20 5 EFBDRP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000374676208 151393233 /nfs/dbraw/zinc/39/32/33/151393233.db2.gz GMIFTNJDCKALSU-ZIAGYGMSSA-N 2 0 326.400 2.912 20 5 EFBDRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447547582 298791270 /nfs/dbraw/zinc/79/12/70/298791270.db2.gz CQHVDMWCAKEEHE-PMPSAXMXSA-N 2 0 335.452 2.597 20 5 EFBDRP Cc1cc(NCCCN2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272832041 266393164 /nfs/dbraw/zinc/39/31/64/266393164.db2.gz LFLOJMHCJHCGEM-UHFFFAOYSA-N 2 0 330.388 2.586 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278295190 267392962 /nfs/dbraw/zinc/39/29/62/267392962.db2.gz CBLFKLCPNFCSFH-UHFFFAOYSA-N 2 0 333.432 2.958 20 5 EFBDRP COCC[NH+]1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000272899600 273114288 /nfs/dbraw/zinc/11/42/88/273114288.db2.gz ZPCOQGBTMVTZRV-UHFFFAOYSA-N 2 0 344.415 2.974 20 5 EFBDRP CS[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000340783291 274182354 /nfs/dbraw/zinc/18/23/54/274182354.db2.gz QWCMRAFGXJEUFG-IAGOWNOFSA-N 2 0 346.456 2.933 20 5 EFBDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192931272 276773004 /nfs/dbraw/zinc/77/30/04/276773004.db2.gz LNKKISVXINQPCG-LJQANCHMSA-N 2 0 346.475 2.588 20 5 EFBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186575286 279274894 /nfs/dbraw/zinc/27/48/94/279274894.db2.gz ALXYCCXWTXEXGD-IAGOWNOFSA-N 2 0 348.491 2.532 20 5 EFBDRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423144163 279529025 /nfs/dbraw/zinc/52/90/25/279529025.db2.gz GESYEMXXHRVXEM-UONOGXRCSA-N 2 0 349.431 2.567 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000132476929 293228618 /nfs/dbraw/zinc/22/86/18/293228618.db2.gz KCWYHOVSSNNFBI-QFBILLFUSA-N 2 0 348.491 2.826 20 5 EFBDRP [NH3+]CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000420319790 303377422 /nfs/dbraw/zinc/37/74/22/303377422.db2.gz SHRMGDVWPCRADE-UHFFFAOYSA-N 2 0 348.447 2.764 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)n1 ZINC000447514590 304811549 /nfs/dbraw/zinc/81/15/49/304811549.db2.gz GHPYHBYVVPRJJB-HZPDHXFCSA-N 2 0 335.452 2.741 20 5 EFBDRP COC1CC[NH+](CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000302105551 311177872 /nfs/dbraw/zinc/17/78/72/311177872.db2.gz XEPWZNSOVPQMSX-UHFFFAOYSA-N 2 0 344.415 2.974 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000331262865 311363401 /nfs/dbraw/zinc/36/34/01/311363401.db2.gz DXQCPHOAPNFNBW-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331848386 311426485 /nfs/dbraw/zinc/42/64/85/311426485.db2.gz CNVSCXUBUTUKBU-HZPDHXFCSA-N 2 0 335.452 2.737 20 5 EFBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000414977338 312070000 /nfs/dbraw/zinc/07/00/00/312070000.db2.gz RHPZVPFARICGQR-GFCCVEGCSA-N 2 0 329.347 2.818 20 5 EFBDRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415038393 312081366 /nfs/dbraw/zinc/08/13/66/312081366.db2.gz NIUXTEUWELPVHB-AAEUAGOBSA-N 2 0 332.429 2.935 20 5 EFBDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415038396 312081561 /nfs/dbraw/zinc/08/15/61/312081561.db2.gz NIUXTEUWELPVHB-DGCLKSJQSA-N 2 0 332.429 2.935 20 5 EFBDRP Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415131517 312100074 /nfs/dbraw/zinc/10/00/74/312100074.db2.gz SNWYIUIYLFTNAE-FUHWJXTLSA-N 2 0 333.432 2.622 20 5 EFBDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000415133303 312100422 /nfs/dbraw/zinc/10/04/22/312100422.db2.gz VBABNQVKCDSETC-NMXXFREBSA-N 2 0 345.443 2.826 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000566475046 319081909 /nfs/dbraw/zinc/08/19/09/319081909.db2.gz JFLYEWGIDGHVBK-GOSISDBHSA-N 2 0 346.475 2.589 20 5 EFBDRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000577883806 320154520 /nfs/dbraw/zinc/15/45/20/320154520.db2.gz QZXJBSOKBWYDMB-OCCSQVGLSA-N 2 0 330.388 2.604 20 5 EFBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154272111 472409161 /nfs/dbraw/zinc/40/91/61/472409161.db2.gz VXGFYCXZVXWTAT-INIZCTEOSA-N 2 0 334.464 2.581 20 5 EFBDRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000090937404 472665906 /nfs/dbraw/zinc/66/59/06/472665906.db2.gz RQXXFSQMWASLFN-CQSZACIVSA-N 2 0 344.415 2.781 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000132353455 472728904 /nfs/dbraw/zinc/72/89/04/472728904.db2.gz JCZSIKOQJKVBHN-QFBILLFUSA-N 2 0 348.491 2.826 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160708636 473164789 /nfs/dbraw/zinc/16/47/89/473164789.db2.gz YFYIZHGJSUNSAJ-DOTOQJQBSA-N 2 0 335.448 2.791 20 5 EFBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192942299 473748954 /nfs/dbraw/zinc/74/89/54/473748954.db2.gz OMEICZTZLBGARN-SJLPKXTDSA-N 2 0 335.448 2.919 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173385396 473822590 /nfs/dbraw/zinc/82/25/90/473822590.db2.gz LLZKPHOZCWFFDG-HOTGVXAUSA-N 2 0 334.464 2.519 20 5 EFBDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263739043 473827946 /nfs/dbraw/zinc/82/79/46/473827946.db2.gz NEAHHEQMGTVEJE-HOTGVXAUSA-N 2 0 347.459 2.916 20 5 EFBDRP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282167540 473968567 /nfs/dbraw/zinc/96/85/67/473968567.db2.gz DTURXYQSMPCCRO-QGZVFWFLSA-N 2 0 334.464 2.662 20 5 EFBDRP COCC[N@H+](C)CCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000189432329 474396097 /nfs/dbraw/zinc/39/60/97/474396097.db2.gz FFUQNZIBDLIYIH-UHFFFAOYSA-N 2 0 332.404 2.832 20 5 EFBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000337058041 474670613 /nfs/dbraw/zinc/67/06/13/474670613.db2.gz VYGWMDYWVHSOSJ-GJZGRUSLSA-N 2 0 348.447 2.728 20 5 EFBDRP CC(C)[NH+]1CCN(CCC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000292210410 474907083 /nfs/dbraw/zinc/90/70/83/474907083.db2.gz UCTWGBVFRCAHBB-UHFFFAOYSA-N 2 0 348.491 2.836 20 5 EFBDRP Cc1cc(NCC[NH+]2CCSCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000323850805 474956458 /nfs/dbraw/zinc/95/64/58/474956458.db2.gz PMCDHQYPUUAQOV-UHFFFAOYSA-N 2 0 332.429 2.912 20 5 EFBDRP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000261701674 475031743 /nfs/dbraw/zinc/03/17/43/475031743.db2.gz JTJKPEJTINDODA-SJORKVTESA-N 2 0 341.411 2.778 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341464868 475062016 /nfs/dbraw/zinc/06/20/16/475062016.db2.gz SGSVHLSWZRRPMP-UNEWFSDZSA-N 2 0 346.431 2.528 20 5 EFBDRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000262000413 475142589 /nfs/dbraw/zinc/14/25/89/475142589.db2.gz PIUQZRIHKSMUDT-UHFFFAOYSA-N 2 0 348.447 2.553 20 5 EFBDRP CC(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331991411 475478958 /nfs/dbraw/zinc/47/89/58/475478958.db2.gz ZJSWWGHIXWZLSY-IRXDYDNUSA-N 2 0 349.479 2.985 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347108441 476100448 /nfs/dbraw/zinc/10/04/48/476100448.db2.gz OKOZDTNIOUAFFP-QGZVFWFLSA-N 2 0 333.432 2.958 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357061072 476197994 /nfs/dbraw/zinc/19/79/94/476197994.db2.gz ZHIOTBHRPKFECA-HNNXBMFYSA-N 2 0 333.432 2.815 20 5 EFBDRP O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000353959554 476337501 /nfs/dbraw/zinc/33/75/01/476337501.db2.gz GFSQKXKPXXPCRJ-UHFFFAOYSA-N 2 0 341.415 2.614 20 5 EFBDRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000354209353 476504582 /nfs/dbraw/zinc/50/45/82/476504582.db2.gz XVUZYTHJAMUUMA-UHFFFAOYSA-N 2 0 349.456 2.991 20 5 EFBDRP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422919456 476847309 /nfs/dbraw/zinc/84/73/09/476847309.db2.gz KBOUPVWJUKAFCB-GUDVDZBRSA-N 2 0 347.459 2.664 20 5 EFBDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430600971 476877932 /nfs/dbraw/zinc/87/79/32/476877932.db2.gz SPASXTYZIDVVAA-DZGCQCFKSA-N 2 0 344.415 2.852 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370637363 476908658 /nfs/dbraw/zinc/90/86/58/476908658.db2.gz URGGWKALYIMKCH-DOTOQJQBSA-N 2 0 346.475 2.722 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370637364 476909145 /nfs/dbraw/zinc/90/91/45/476909145.db2.gz URGGWKALYIMKCH-NVXWUHKLSA-N 2 0 346.475 2.722 20 5 EFBDRP CCCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC[NH2+]CC1 ZINC000431109784 476979729 /nfs/dbraw/zinc/97/97/29/476979729.db2.gz XMGCWOZXCXKKAU-UHFFFAOYSA-N 2 0 345.403 2.609 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000423540218 477068784 /nfs/dbraw/zinc/06/87/84/477068784.db2.gz JHXLUIVDPCKBTH-TVFCKZIOSA-N 2 0 329.444 2.894 20 5 EFBDRP Cc1c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cccc1[N+](=O)[O-] ZINC000375906811 477075422 /nfs/dbraw/zinc/07/54/22/477075422.db2.gz QEKZPYVYMBAIJG-SFHVURJKSA-N 2 0 346.475 2.504 20 5 EFBDRP C[NH+](C)C1CCN(CCNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432328343 477194149 /nfs/dbraw/zinc/19/41/49/477194149.db2.gz WPTXYRLCVMAYBM-UHFFFAOYSA-N 2 0 343.431 2.581 20 5 EFBDRP C[N@H+](CCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000453388575 477219190 /nfs/dbraw/zinc/21/91/90/477219190.db2.gz BOHWEWOOKZPLQM-CVEARBPZSA-N 2 0 335.452 2.739 20 5 EFBDRP COCC[N@H+](C)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433151017 477312771 /nfs/dbraw/zinc/31/27/71/477312771.db2.gz YHGGVYFVQZRWSH-KRWDZBQOSA-N 2 0 335.448 2.875 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420322347 477692544 /nfs/dbraw/zinc/69/25/44/477692544.db2.gz DTRMNOYCEOWZSD-STQMWFEESA-N 2 0 330.388 2.558 20 5 EFBDRP Cc1c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000420377053 477732840 /nfs/dbraw/zinc/73/28/40/477732840.db2.gz KNKKHNJPYLYAGJ-WMZOPIPTSA-N 2 0 333.432 2.622 20 5 EFBDRP Cc1c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000420395940 477746019 /nfs/dbraw/zinc/74/60/19/477746019.db2.gz UVZWDAXHNCVFJS-SJLPKXTDSA-N 2 0 333.432 2.622 20 5 EFBDRP Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000368300599 477797323 /nfs/dbraw/zinc/79/73/23/477797323.db2.gz ZRLPDUQWKSZFJL-GOSISDBHSA-N 2 0 326.400 2.983 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000591582597 478587941 /nfs/dbraw/zinc/58/79/41/478587941.db2.gz NDJLWQTVQDLPRT-QLFBSQMISA-N 2 0 333.436 2.539 20 5 EFBDRP C[NH+](C)CC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000563708281 478620875 /nfs/dbraw/zinc/62/08/75/478620875.db2.gz UCWPXNHNKNMAFP-UHFFFAOYSA-N 2 0 348.447 2.635 20 5 EFBDRP CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592427601 478892142 /nfs/dbraw/zinc/89/21/42/478892142.db2.gz HAFXTAZYPAISMA-SUMWQHHRSA-N 2 0 343.431 2.555 20 5 EFBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592493406 478913172 /nfs/dbraw/zinc/91/31/72/478913172.db2.gz OWBVUZKFAWBGMN-HZPDHXFCSA-N 2 0 333.432 2.685 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595900602 479059283 /nfs/dbraw/zinc/05/92/83/479059283.db2.gz HWXYDPJDRWZXMC-INIZCTEOSA-N 2 0 333.432 2.685 20 5 EFBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314701 479289636 /nfs/dbraw/zinc/28/96/36/479289636.db2.gz FYNMSUIBBRAYKV-UUDSPYCISA-N 2 0 345.443 2.826 20 5 EFBDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602580604 479408612 /nfs/dbraw/zinc/40/86/12/479408612.db2.gz FPTHBRMCWHGWDV-UHFFFAOYSA-N 2 0 329.322 2.965 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736220 479439414 /nfs/dbraw/zinc/43/94/14/479439414.db2.gz JRZPYWFBEDSURK-LDDOYCOJSA-N 2 0 333.432 2.874 20 5 EFBDRP Cc1c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593739159 479440589 /nfs/dbraw/zinc/44/05/89/479440589.db2.gz YKUSXRFNIRDNIP-XYJFISCASA-N 2 0 333.432 2.622 20 5 EFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CCCCCC2)n1 ZINC000618562105 479492560 /nfs/dbraw/zinc/49/25/60/479492560.db2.gz YXZQLYHTPWETKN-HOTGVXAUSA-N 2 0 335.452 2.741 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000602718462 479501711 /nfs/dbraw/zinc/50/17/11/479501711.db2.gz ZRMJLNMWQJSEIP-UHFFFAOYSA-N 2 0 344.415 2.948 20 5 EFBDRP Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589584526 479540460 /nfs/dbraw/zinc/54/04/60/479540460.db2.gz ZDOUQUCGOGJYHS-CHWSQXEVSA-N 2 0 326.400 2.910 20 5 EFBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848017 479592177 /nfs/dbraw/zinc/59/21/77/479592177.db2.gz XSJZNUDLROTETO-UHFFFAOYSA-N 2 0 342.399 2.581 20 5 EFBDRP CCC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151843903 520772666 /nfs/dbraw/zinc/77/26/66/520772666.db2.gz ZNGOYEWQPGYPDV-GOSISDBHSA-N 2 0 335.448 2.730 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154527244 529143611 /nfs/dbraw/zinc/14/36/11/529143611.db2.gz UTPYDYQJNZMPLJ-INIZCTEOSA-N 2 0 334.464 2.663 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000154481354 529143760 /nfs/dbraw/zinc/14/37/60/529143760.db2.gz GEQMGIZKMKSHEC-QGZVFWFLSA-N 2 0 348.491 2.972 20 5 EFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000344829264 535730810 /nfs/dbraw/zinc/73/08/10/535730810.db2.gz CTKYQZFOZVCNAS-MOKGIYGOSA-N 2 0 346.475 2.614 20 5 EFBDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000414190735 536383886 /nfs/dbraw/zinc/38/38/86/536383886.db2.gz RMXZAWORKKJXIR-BZUAXINKSA-N 2 0 335.452 2.597 20 5 EFBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000823806254 1265436511 /nfs/dbraw/zinc/43/65/11/1265436511.db2.gz NPFJEHXKGZIERW-GOEBONIOSA-N 2 0 333.432 2.766 20 5 EFBDRP [NH3+][C@H]1CCc2c3ccccc3n(-c3cc4c(cc3[N+](=O)[O-])C[NH2+]C4)c2C1 ZINC001171092689 1278593945 /nfs/dbraw/zinc/59/39/45/1278593945.db2.gz DGPQNSGKDGYPLN-AWEZNQCLSA-N 2 0 348.406 2.958 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168968053 1272559009 /nfs/dbraw/zinc/55/90/09/1272559009.db2.gz VFCSPVGFIBFMAC-MOPGFXCFSA-N 2 0 331.460 2.934 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168968058 1272559177 /nfs/dbraw/zinc/55/91/77/1272559177.db2.gz VFCSPVGFIBFMAC-RTBURBONSA-N 2 0 331.460 2.934 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001169042827 1272611699 /nfs/dbraw/zinc/61/16/99/1272611699.db2.gz GHPSHNVBYDJWAV-FYQPLNBISA-N 2 0 343.471 2.886 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170317379 1279011321 /nfs/dbraw/zinc/01/13/21/1279011321.db2.gz HEGOWVPGSSLFPM-CQSZACIVSA-N 2 0 347.459 2.998 20 5 EFBDRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817950760 1276395868 /nfs/dbraw/zinc/39/58/68/1276395868.db2.gz ZQFUJZVIMPCLNZ-IRXDYDNUSA-N 2 0 343.431 2.566 20 5 EFBDRP COc1ccc(C[C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC001170353454 1279035157 /nfs/dbraw/zinc/03/51/57/1279035157.db2.gz YJWZSFRTMODVKR-KDOFPFPSSA-N 2 0 333.432 2.562 20 5 EFBDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818960311 1276550473 /nfs/dbraw/zinc/55/04/73/1276550473.db2.gz HPVQZKADMKYFMC-GPMSIDNRSA-N 2 0 349.475 2.976 20 5 EFBDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818962279 1276551034 /nfs/dbraw/zinc/55/10/34/1276551034.db2.gz ZTXYIUPKTMJOOP-MDZRGWNJSA-N 2 0 349.475 2.976 20 5 EFBDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959840 1276560088 /nfs/dbraw/zinc/56/00/88/1276560088.db2.gz USAJXANMPXPESC-YJBOKZPZSA-N 2 0 335.448 2.730 20 5 EFBDRP COc1ccc(C[C@@H](C)[N@H+](C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170347027 1279053421 /nfs/dbraw/zinc/05/34/21/1279053421.db2.gz PJFULOPXEFDMLN-CQSZACIVSA-N 2 0 335.448 2.808 20 5 EFBDRP COc1ccc(C[C@H](C)[NH+]2CCC3(C[NH+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC001170351094 1279056888 /nfs/dbraw/zinc/05/68/88/1279056888.db2.gz FFQZLJNMDODHKT-AWEZNQCLSA-N 2 0 333.432 2.562 20 5 EFBDRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CC2 ZINC001172922162 1286329566 /nfs/dbraw/zinc/32/95/66/1286329566.db2.gz WNKVKWFRLQNSNE-QGZVFWFLSA-N 2 0 329.444 2.870 20 5 EFBDRP CCC[N@H+](CCC[NH3+])[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180030 1286455377 /nfs/dbraw/zinc/45/53/77/1286455377.db2.gz SEUFJFRJEZHIHF-LBPRGKRZSA-N 2 0 327.400 2.734 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1F ZINC001173183770 1286456157 /nfs/dbraw/zinc/45/61/57/1286456157.db2.gz NKLSLYNUVXSGEU-SRVKXCTJSA-N 2 0 325.384 2.533 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000873048955 1289539944 /nfs/dbraw/zinc/53/99/44/1289539944.db2.gz SUPKPEBKCGKYNN-MRXNPFEDSA-N 2 0 335.448 2.538 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000873290468 1289704688 /nfs/dbraw/zinc/70/46/88/1289704688.db2.gz DZIPQLMBVXBPKP-HUUCEWRRSA-N 2 0 333.432 2.713 20 5 EFBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292706 1289707719 /nfs/dbraw/zinc/70/77/19/1289707719.db2.gz VAKADUWIPQNUDA-DOTOQJQBSA-N 2 0 347.459 2.664 20 5 EFBDRP C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000887135237 1295289119 /nfs/dbraw/zinc/28/91/19/1295289119.db2.gz YWHKXZFYHIRWGG-ZDUSSCGKSA-N 2 0 330.363 2.840 20 5 EFBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC([NH3+])CC1 ZINC001160515239 1311725185 /nfs/dbraw/zinc/72/51/85/1311725185.db2.gz BDHVVSPJCVAUMU-NRFANRHFSA-N 2 0 347.462 2.813 20 5 EFBDRP Cc1cc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160945786 1311817313 /nfs/dbraw/zinc/81/73/13/1311817313.db2.gz MEFFLRCZRRMILG-UHFFFAOYSA-N 2 0 331.763 2.792 20 5 EFBDRP [NH3+]CCc1cn(-c2ncc([N+](=O)[O-])c3ccccc32)c2cc[nH+]cc12 ZINC001160945642 1311817703 /nfs/dbraw/zinc/81/77/03/1311817703.db2.gz HFGOVMWIAFSSPG-UHFFFAOYSA-N 2 0 333.351 2.983 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246091407 1314582164 /nfs/dbraw/zinc/58/21/64/1314582164.db2.gz ACXZNQFBRFSHGB-KBXCAEBGSA-N 2 0 335.448 2.904 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001246090585 1314582299 /nfs/dbraw/zinc/58/22/99/1314582299.db2.gz CAXZFFNVRNKMHP-DZKIICNBSA-N 2 0 335.448 2.760 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC[C@@H](C)[NH2+]C2)c1F ZINC001246102797 1314583228 /nfs/dbraw/zinc/58/32/28/1314583228.db2.gz XDLVWSFDXIAPGR-AGIUHOORSA-N 2 0 339.411 2.651 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@]13CCC[C@H]1C[NH2+]C3)CC2 ZINC001246125047 1314585969 /nfs/dbraw/zinc/58/59/69/1314585969.db2.gz CIVJGDCUWOGEKQ-JENIJYKNSA-N 2 0 329.444 2.822 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)c1F ZINC001246122604 1314586374 /nfs/dbraw/zinc/58/63/74/1314586374.db2.gz XTHMUTHNXDQCEK-AVGNSLFASA-N 2 0 339.411 2.509 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c1F ZINC001246281054 1314606272 /nfs/dbraw/zinc/60/62/72/1314606272.db2.gz YWWNVVCIZMSWCT-GFCCVEGCSA-N 2 0 339.411 2.925 20 5 EFBDRP COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246549355 1314645593 /nfs/dbraw/zinc/64/55/93/1314645593.db2.gz MEIPZYJPMDHSHA-CXAGYDPISA-N 2 0 339.411 2.687 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@](C)([NH3+])CC2)c1F ZINC001246553374 1314647119 /nfs/dbraw/zinc/64/71/19/1314647119.db2.gz RAWCYAIBLWYTJW-SJKOYZFVSA-N 2 0 339.411 2.877 20 5 EFBDRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254581564 1315727186 /nfs/dbraw/zinc/72/71/86/1315727186.db2.gz LPHLTJPMFAANOC-SFHVURJKSA-N 2 0 325.412 2.913 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001254587417 1315727777 /nfs/dbraw/zinc/72/77/77/1315727777.db2.gz XCWBFGLRTRLTSE-GOSISDBHSA-N 2 0 329.444 2.916 20 5 EFBDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC001322121987 1329430138 /nfs/dbraw/zinc/43/01/38/1329430138.db2.gz QVRNRLSJPHUWIU-BZUAXINKSA-N 2 0 335.452 2.597 20 5 EFBDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC001322121990 1329430220 /nfs/dbraw/zinc/43/02/20/1329430220.db2.gz QVRNRLSJPHUWIU-PMPSAXMXSA-N 2 0 335.452 2.597 20 5 EFBDRP O=[N+]([O-])c1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173952330 231078618 /nfs/dbraw/zinc/07/86/18/231078618.db2.gz OUICVGZDAMGVNC-UHFFFAOYSA-N 2 0 333.432 2.672 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784482 244347893 /nfs/dbraw/zinc/34/78/93/244347893.db2.gz RIJLTOGWOABSCR-LSDHHAIUSA-N 2 0 333.432 2.815 20 5 EFBDRP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435616742 249388307 /nfs/dbraw/zinc/38/83/07/249388307.db2.gz MWBVHYFIMZXBJC-OAHLLOKOSA-N 2 0 344.415 2.866 20 5 EFBDRP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC000093089369 218193696 /nfs/dbraw/zinc/19/36/96/218193696.db2.gz QHFBOSBDKCNTNB-UHFFFAOYSA-N 2 0 343.374 2.970 20 5 EFBDRP Cc1c(NC(=O)CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000118841314 221193871 /nfs/dbraw/zinc/19/38/71/221193871.db2.gz FQJUZMZNLKZQKN-HNNXBMFYSA-N 2 0 348.447 2.505 20 5 EFBDRP Cc1c(NC(=O)CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cccc1[N+](=O)[O-] ZINC000118841313 221195841 /nfs/dbraw/zinc/19/58/41/221195841.db2.gz FQJUZMZNLKZQKN-OAHLLOKOSA-N 2 0 348.447 2.505 20 5 EFBDRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000349190817 146064062 /nfs/dbraw/zinc/06/40/62/146064062.db2.gz LKKMDUMYUQTMSF-UHFFFAOYSA-N 2 0 333.388 2.523 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420331967 292296020 /nfs/dbraw/zinc/29/60/20/292296020.db2.gz MZJOVRKHXMMHOU-VHSSKADRSA-N 2 0 333.432 2.792 20 5 EFBDRP CC(C)c1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000185873528 265050764 /nfs/dbraw/zinc/05/07/64/265050764.db2.gz RPDJMJVAKITYNI-MRXNPFEDSA-N 2 0 348.491 2.834 20 5 EFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193301501 279263799 /nfs/dbraw/zinc/26/37/99/279263799.db2.gz AROUTWFSKHWUMZ-BEFAXECRSA-N 2 0 346.475 2.588 20 5 EFBDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000252696059 280186578 /nfs/dbraw/zinc/18/65/78/280186578.db2.gz LSFUYZMKFXIRAQ-ZWKOTPCHSA-N 2 0 335.448 2.872 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128400897 293101478 /nfs/dbraw/zinc/10/14/78/293101478.db2.gz CDRSWCGJAPSIDJ-INIZCTEOSA-N 2 0 334.464 2.581 20 5 EFBDRP O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000297723288 310924452 /nfs/dbraw/zinc/92/44/52/310924452.db2.gz SAGRYAYQLIICCG-UHFFFAOYSA-N 2 0 326.400 2.791 20 5 EFBDRP Cc1cc(NCC2CC[NH+](CCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302194043 311183945 /nfs/dbraw/zinc/18/39/45/311183945.db2.gz RYFULLWTKXFPPC-UHFFFAOYSA-N 2 0 344.415 2.568 20 5 EFBDRP C[C@H](CCCC[NH3+])[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415006842 312076302 /nfs/dbraw/zinc/07/63/02/312076302.db2.gz ANUQPZHNXIXLNQ-CYBMUJFWSA-N 2 0 331.420 2.602 20 5 EFBDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415125580 312098365 /nfs/dbraw/zinc/09/83/65/312098365.db2.gz OKIJOHCKOONOLM-TUOCYHOTSA-N 2 0 345.443 2.826 20 5 EFBDRP C[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000417302678 312206181 /nfs/dbraw/zinc/20/61/81/312206181.db2.gz CSDNVPFWLQAFAJ-HNAYVOBHSA-N 2 0 346.475 2.588 20 5 EFBDRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000577883805 320154655 /nfs/dbraw/zinc/15/46/55/320154655.db2.gz QZXJBSOKBWYDMB-JSGCOSHPSA-N 2 0 330.388 2.604 20 5 EFBDRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296796684 323626778 /nfs/dbraw/zinc/62/67/78/323626778.db2.gz TWXBANBVIFTOJA-INIZCTEOSA-N 2 0 334.464 2.662 20 5 EFBDRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000150979018 473390232 /nfs/dbraw/zinc/39/02/32/473390232.db2.gz DBGSHRVWHYPANX-SFHVURJKSA-N 2 0 334.464 2.662 20 5 EFBDRP C[NH+](C)CCC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000056522781 472331843 /nfs/dbraw/zinc/33/18/43/472331843.db2.gz KCLTYBPLDQQSRC-UHFFFAOYSA-N 2 0 349.431 2.625 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000069948927 472472976 /nfs/dbraw/zinc/47/29/76/472472976.db2.gz CRWXYEKBZUVVSK-HNNXBMFYSA-N 2 0 348.447 2.505 20 5 EFBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128698711 472485999 /nfs/dbraw/zinc/48/59/99/472485999.db2.gz KARGJHWNMKXGAU-KRWDZBQOSA-N 2 0 348.491 2.533 20 5 EFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155632638 472584338 /nfs/dbraw/zinc/58/43/38/472584338.db2.gz AFTKQVLWXCRGPQ-CVEARBPZSA-N 2 0 334.464 2.580 20 5 EFBDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000060368423 472647996 /nfs/dbraw/zinc/64/79/96/472647996.db2.gz PVLLLDFUULJZQQ-IYBDPMFKSA-N 2 0 347.459 2.916 20 5 EFBDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000060368424 472648895 /nfs/dbraw/zinc/64/88/95/472648895.db2.gz PVLLLDFUULJZQQ-HOTGVXAUSA-N 2 0 347.459 2.916 20 5 EFBDRP Cc1c(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000152439568 473562574 /nfs/dbraw/zinc/56/25/74/473562574.db2.gz LJUMBNFPAVPCQL-LSDHHAIUSA-N 2 0 348.447 2.504 20 5 EFBDRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127585609 473630232 /nfs/dbraw/zinc/63/02/32/473630232.db2.gz GNKZQHGRWPMQHC-MAUKXSAKSA-N 2 0 334.464 2.662 20 5 EFBDRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194261388 473868833 /nfs/dbraw/zinc/86/88/33/473868833.db2.gz PVECRMDVGWULDS-RBUKOAKNSA-N 2 0 348.491 2.908 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000282495224 474087463 /nfs/dbraw/zinc/08/74/63/474087463.db2.gz XTKCNVUNZAQVIF-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1c([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000282495218 474087534 /nfs/dbraw/zinc/08/75/34/474087534.db2.gz XTKCNVUNZAQVIF-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP CS[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000340783286 474662808 /nfs/dbraw/zinc/66/28/08/474662808.db2.gz QWCMRAFGXJEUFG-DLBZAZTESA-N 2 0 346.456 2.933 20 5 EFBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000269082469 475166816 /nfs/dbraw/zinc/16/68/16/475166816.db2.gz OURIOILSGFOJAO-QZTJIDSGSA-N 2 0 349.475 2.862 20 5 EFBDRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000347108107 476098982 /nfs/dbraw/zinc/09/89/82/476098982.db2.gz OXFGMZJGXGOUNX-OAHLLOKOSA-N 2 0 349.431 2.576 20 5 EFBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430934777 476940807 /nfs/dbraw/zinc/94/08/07/476940807.db2.gz NTHJKIRUIZQGFH-UHFFFAOYSA-N 2 0 341.358 2.772 20 5 EFBDRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411229775 477161836 /nfs/dbraw/zinc/16/18/36/477161836.db2.gz UJHFXTJGJLMRTP-UHFFFAOYSA-N 2 0 348.447 2.728 20 5 EFBDRP C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000420406782 477752084 /nfs/dbraw/zinc/75/20/84/477752084.db2.gz OABOVRRSVCXSBF-DZGCQCFKSA-N 2 0 344.415 2.709 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000591582598 478587616 /nfs/dbraw/zinc/58/76/16/478587616.db2.gz NDJLWQTVQDLPRT-RBSFLKMASA-N 2 0 333.436 2.539 20 5 EFBDRP CCCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564857705 478834354 /nfs/dbraw/zinc/83/43/54/478834354.db2.gz XCBHZIMUDRYRJN-UHFFFAOYSA-N 2 0 348.447 2.778 20 5 EFBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592493404 478914023 /nfs/dbraw/zinc/91/40/23/478914023.db2.gz OWBVUZKFAWBGMN-CVEARBPZSA-N 2 0 333.432 2.685 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000546018347 478997584 /nfs/dbraw/zinc/99/75/84/478997584.db2.gz WGHIAQPTYHQGCC-HZPDHXFCSA-N 2 0 334.464 2.580 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599072199 479149009 /nfs/dbraw/zinc/14/90/09/479149009.db2.gz ZWWSWFPWBQCUSJ-LSDHHAIUSA-N 2 0 348.447 2.633 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000610817551 479196374 /nfs/dbraw/zinc/19/63/74/479196374.db2.gz WONVXBRKIFBBTH-HOTGVXAUSA-N 2 0 346.475 2.722 20 5 EFBDRP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000584715411 479216074 /nfs/dbraw/zinc/21/60/74/479216074.db2.gz RXWYCLFVCSDASE-OAHLLOKOSA-N 2 0 348.447 2.635 20 5 EFBDRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000593324532 479296199 /nfs/dbraw/zinc/29/61/99/479296199.db2.gz WUFKGNKTCQFVSU-CVEARBPZSA-N 2 0 347.394 2.663 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2CCCCCC2)n1 ZINC000618562106 479492759 /nfs/dbraw/zinc/49/27/59/479492759.db2.gz YXZQLYHTPWETKN-HZPDHXFCSA-N 2 0 335.452 2.741 20 5 EFBDRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000618565406 479494739 /nfs/dbraw/zinc/49/47/39/479494739.db2.gz XPSUZHHWYZCZCO-IKGGRYGDSA-N 2 0 349.479 2.987 20 5 EFBDRP Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589584533 479541169 /nfs/dbraw/zinc/54/11/69/479541169.db2.gz ZDOUQUCGOGJYHS-STQMWFEESA-N 2 0 326.400 2.910 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844364 479588997 /nfs/dbraw/zinc/58/89/97/479588997.db2.gz CDEAKYRIURMPJL-UHFFFAOYSA-N 2 0 342.399 2.581 20 5 EFBDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072858168 520253212 /nfs/dbraw/zinc/25/32/12/520253212.db2.gz GETTUCCGTSECRO-OAHLLOKOSA-N 2 0 348.447 2.505 20 5 EFBDRP O=[N+]([O-])c1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000363666343 527387102 /nfs/dbraw/zinc/38/71/02/527387102.db2.gz POOMQDJATYSNDT-UHFFFAOYSA-N 2 0 333.432 2.529 20 5 EFBDRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000132364357 529015735 /nfs/dbraw/zinc/01/57/35/529015735.db2.gz JDOOZNHFMWSTFB-QAPCUYQASA-N 2 0 334.464 2.517 20 5 EFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192670572 535741020 /nfs/dbraw/zinc/74/10/20/535741020.db2.gz NWEUXLGLMKSUBY-DNVCBOLYSA-N 2 0 346.475 2.588 20 5 EFBDRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000435393138 536896082 /nfs/dbraw/zinc/89/60/82/536896082.db2.gz ZFAUHVXONWWJTI-LBPRGKRZSA-N 2 0 331.372 2.644 20 5 EFBDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3ncc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000755776643 575631680 /nfs/dbraw/zinc/63/16/80/575631680.db2.gz AXZFOSBMCZNHQU-MRXNPFEDSA-N 2 0 343.431 2.566 20 5 EFBDRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850580744 1250546679 /nfs/dbraw/zinc/54/66/79/1250546679.db2.gz AUHQCQZNFMTNCG-CYBMUJFWSA-N 2 0 332.448 2.950 20 5 EFBDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923349036 1261516597 /nfs/dbraw/zinc/51/65/97/1261516597.db2.gz OHPUEQLVMUVAMO-LLVKDONJSA-N 2 0 342.237 2.918 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170317378 1279012082 /nfs/dbraw/zinc/01/20/82/1279012082.db2.gz HEGOWVPGSSLFPM-AWEZNQCLSA-N 2 0 347.459 2.998 20 5 EFBDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818960310 1276550449 /nfs/dbraw/zinc/55/04/49/1276550449.db2.gz HPVQZKADMKYFMC-FCEWJHQRSA-N 2 0 349.475 2.976 20 5 EFBDRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818959383 1276559819 /nfs/dbraw/zinc/55/98/19/1276559819.db2.gz JATLQGZPNHJAOU-SFHVURJKSA-N 2 0 335.448 2.730 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH+]2CCC3(C[NH+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC001170351095 1279058128 /nfs/dbraw/zinc/05/81/28/1279058128.db2.gz FFQZLJNMDODHKT-CQSZACIVSA-N 2 0 333.432 2.562 20 5 EFBDRP CCOC(=O)C1=C(Nc2ccccc2C[N+](C)(C)CC)CC[NH2+]C1 ZINC001170516454 1281203843 /nfs/dbraw/zinc/20/38/43/1281203843.db2.gz DEWQXXYVERMPLL-UHFFFAOYSA-O 2 0 332.468 2.505 20 5 EFBDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000872222709 1287484850 /nfs/dbraw/zinc/48/48/50/1287484850.db2.gz BBUQVFMEUKYFIQ-GOSISDBHSA-N 2 0 335.448 2.728 20 5 EFBDRP CSC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000815627467 1287645576 /nfs/dbraw/zinc/64/55/76/1287645576.db2.gz BLUBSFZZMLYQRI-LBPRGKRZSA-N 2 0 338.477 2.655 20 5 EFBDRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172912795 1286353291 /nfs/dbraw/zinc/35/32/91/1286353291.db2.gz MHWFTGWFJMADSR-FGTMMUONSA-N 2 0 329.444 2.726 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c1F ZINC001173176532 1286452662 /nfs/dbraw/zinc/45/26/62/1286452662.db2.gz HVGSWPIMRDMWMN-CHWSQXEVSA-N 2 0 339.411 2.605 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873012098 1289519898 /nfs/dbraw/zinc/51/98/98/1289519898.db2.gz MSHSDHKYVGAMHY-UHFFFAOYSA-N 2 0 348.491 2.719 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000873049461 1289540818 /nfs/dbraw/zinc/54/08/18/1289540818.db2.gz GZNJAFRLQBCYPQ-QGZVFWFLSA-N 2 0 347.459 2.945 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000873293665 1289708560 /nfs/dbraw/zinc/70/85/60/1289708560.db2.gz OVDJNUZKPVJCDT-FUHWJXTLSA-N 2 0 345.443 2.721 20 5 EFBDRP CC1(C)[C@H]([NH3+])C[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000883443056 1293595670 /nfs/dbraw/zinc/59/56/70/1293595670.db2.gz ZCGATAQQKMTURY-NEPJUHHUSA-N 2 0 328.210 2.573 20 5 EFBDRP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903726447 1313123299 /nfs/dbraw/zinc/12/32/99/1313123299.db2.gz LWIYQQWOAKOFDR-SFHVURJKSA-N 2 0 347.459 2.964 20 5 EFBDRP Cc1cc(Cl)nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1[N+](=O)[O-] ZINC001160945561 1311817604 /nfs/dbraw/zinc/81/76/04/1311817604.db2.gz FQQRXYBCZDTUIB-UHFFFAOYSA-N 2 0 331.763 2.792 20 5 EFBDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)CC[NH2+]1 ZINC001161017523 1311837909 /nfs/dbraw/zinc/83/79/09/1311837909.db2.gz PJYLBCJCADHXJQ-VFNWGFHPSA-N 2 0 347.462 2.683 20 5 EFBDRP CN1CCc2c(N[C@H]3C[NH2+]Cc4ccsc43)ccc([N+](=O)[O-])c2C1 ZINC001163230204 1312270100 /nfs/dbraw/zinc/27/01/00/1312270100.db2.gz NAPMAVWJSVFAEJ-HNNXBMFYSA-N 2 0 344.440 2.901 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246091414 1314581585 /nfs/dbraw/zinc/58/15/85/1314581585.db2.gz ACXZNQFBRFSHGB-RDTXWAMCSA-N 2 0 335.448 2.904 20 5 EFBDRP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246112522 1314584154 /nfs/dbraw/zinc/58/41/54/1314584154.db2.gz QNXOPBOWVJCKEB-CABCVRRESA-N 2 0 332.448 2.541 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001246113582 1314584690 /nfs/dbraw/zinc/58/46/90/1314584690.db2.gz UCWVICIWSJFLDR-IJEWVQPXSA-N 2 0 335.448 2.760 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCC[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001246128975 1314586692 /nfs/dbraw/zinc/58/66/92/1314586692.db2.gz CPMZCSFWXYXVNU-NEPXVJNWSA-N 2 0 329.444 2.820 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC[NH2+]CC2)C1 ZINC001246397274 1314622729 /nfs/dbraw/zinc/62/27/29/1314622729.db2.gz BVMZUDLBGHFKDN-FSPWUOQZSA-N 2 0 335.423 2.901 20 5 EFBDRP C[C@]1([NH3+])CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246552468 1314646653 /nfs/dbraw/zinc/64/66/53/1314646653.db2.gz PCLQLTVPBITTNO-SFHVURJKSA-N 2 0 332.448 2.767 20 5 EFBDRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001246558437 1314648540 /nfs/dbraw/zinc/64/85/40/1314648540.db2.gz QDUNHOLCODDJBW-CABCVRRESA-N 2 0 339.386 2.758 20 5 EFBDRP COc1ccc(C[C@H](C)[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC001246564044 1314648815 /nfs/dbraw/zinc/64/88/15/1314648815.db2.gz YSILMZXWPOEOCZ-DZKIICNBSA-N 2 0 335.448 2.841 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246580493 1314651412 /nfs/dbraw/zinc/65/14/12/1314651412.db2.gz WORSYZZTDZDKCZ-KBXCAEBGSA-N 2 0 335.448 2.985 20 5 EFBDRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219916276 1315356586 /nfs/dbraw/zinc/35/65/86/1315356586.db2.gz PWGWCDRRGMIHKQ-VFNWGFHPSA-N 2 0 349.478 2.929 20 5 EFBDRP [NH3+]CCCCNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001221347116 1315513135 /nfs/dbraw/zinc/51/31/35/1315513135.db2.gz FJKGNVGWHXYKKP-FQEVSTJZSA-N 2 0 335.451 2.718 20 5 EFBDRP [NH3+]Cc1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469247 1315707112 /nfs/dbraw/zinc/70/71/12/1315707112.db2.gz JQIWMOMDPJVVKO-UHFFFAOYSA-N 2 0 340.427 2.812 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](C3CCC3)CC1)C2 ZINC001254585707 1315727903 /nfs/dbraw/zinc/72/79/03/1315727903.db2.gz NDGLPAZSESNPOH-KRWDZBQOSA-N 2 0 329.444 2.916 20 5 EFBDRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605675 1315730407 /nfs/dbraw/zinc/73/04/07/1315730407.db2.gz CDSPNFGUQAOYDH-GOSISDBHSA-N 2 0 338.411 2.588 20 5 EFBDRP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605676 1315730584 /nfs/dbraw/zinc/73/05/84/1315730584.db2.gz CDSPNFGUQAOYDH-SFHVURJKSA-N 2 0 338.411 2.588 20 5 EFBDRP C[N@H+](CC1CC[NH+](C)CC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848478098 1334736020 /nfs/dbraw/zinc/73/60/20/1334736020.db2.gz GEDXLMSZPXBSRN-UHFFFAOYSA-N 2 0 343.431 2.689 20 5 EFBDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893106161 719668757 /nfs/dbraw/zinc/66/87/57/719668757.db2.gz NRRBAJWYLGVOLQ-UHFFFAOYSA-N 2 0 341.839 2.573 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001574979426 1088183032 /nfs/dbraw/zinc/18/30/32/1088183032.db2.gz HGJGWUXTAOZGDN-YYYKYCEESA-N 2 0 345.443 2.826 20 5 EFBDRP C[C@H]1CC2(C[N@@H+]1Cc1nc3cc([N+](=O)[O-])ccc3o1)CC[NH2+]CC2 ZINC001576636675 1089370724 /nfs/dbraw/zinc/37/07/24/1089370724.db2.gz FYOXZOSWALWLRS-LBPRGKRZSA-N 2 0 330.388 2.700 20 5 EFBDRP C[C@@]1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC[NH2+]C1 ZINC000904322961 1107815190 /nfs/dbraw/zinc/81/51/90/1107815190.db2.gz LFYMQARXFARBTC-GOSISDBHSA-N 2 0 333.432 2.828 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414784476 244347946 /nfs/dbraw/zinc/34/79/46/244347946.db2.gz RIJLTOGWOABSCR-GJZGRUSLSA-N 2 0 333.432 2.815 20 5 EFBDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000442924281 250141031 /nfs/dbraw/zinc/14/10/31/250141031.db2.gz XOFCMNZANMOXGL-LLVKDONJSA-N 2 0 329.347 2.757 20 5 EFBDRP [NH3+]CC[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000443059928 250154816 /nfs/dbraw/zinc/15/48/16/250154816.db2.gz OCEFYGUGCUYDAN-CQSZACIVSA-N 2 0 344.415 2.853 20 5 EFBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000449747861 251141274 /nfs/dbraw/zinc/14/12/74/251141274.db2.gz YLOBGUHMWWXCLZ-VQHVLOKHSA-N 2 0 346.475 2.614 20 5 EFBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349061999 285250921 /nfs/dbraw/zinc/25/09/21/285250921.db2.gz KKQRYLOYXZIDEU-GOSISDBHSA-N 2 0 348.491 2.751 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000345045631 145450547 /nfs/dbraw/zinc/45/05/47/145450547.db2.gz WPTHBMCMRIMDNV-LFIBNONCSA-N 2 0 347.459 2.823 20 5 EFBDRP C[NH+](C)CCOCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349210236 146066236 /nfs/dbraw/zinc/06/62/36/146066236.db2.gz CXACJKKWRNJYOY-UHFFFAOYSA-N 2 0 333.388 2.523 20 5 EFBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359219022 148025878 /nfs/dbraw/zinc/02/58/78/148025878.db2.gz MOLFDIHMKZOZRV-UHFFFAOYSA-N 2 0 333.432 2.828 20 5 EFBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186575231 286814282 /nfs/dbraw/zinc/81/42/82/286814282.db2.gz ALXYCCXWTXEXGD-IRXDYDNUSA-N 2 0 348.491 2.532 20 5 EFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272603874 266323026 /nfs/dbraw/zinc/32/30/26/266323026.db2.gz UXKWRIHXOWRCNN-AWEZNQCLSA-N 2 0 348.447 2.633 20 5 EFBDRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423144162 279529384 /nfs/dbraw/zinc/52/93/84/279529384.db2.gz GESYEMXXHRVXEM-KBPBESRZSA-N 2 0 349.431 2.567 20 5 EFBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447580401 289309864 /nfs/dbraw/zinc/30/98/64/289309864.db2.gz OKUMXJDZKJFPFA-FZKCQIBNSA-N 2 0 335.452 2.737 20 5 EFBDRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331848383 311426385 /nfs/dbraw/zinc/42/63/85/311426385.db2.gz CNVSCXUBUTUKBU-HOTGVXAUSA-N 2 0 335.452 2.737 20 5 EFBDRP COCC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414971914 312069349 /nfs/dbraw/zinc/06/93/49/312069349.db2.gz JNYQHTRGJLUGSE-OAHLLOKOSA-N 2 0 335.448 2.522 20 5 EFBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414987659 312071898 /nfs/dbraw/zinc/07/18/98/312071898.db2.gz JSLCSOVOONSKNB-BTOWRCTQSA-N 2 0 341.358 2.802 20 5 EFBDRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415038400 312081386 /nfs/dbraw/zinc/08/13/86/312081386.db2.gz NIUXTEUWELPVHB-YPMHNXCESA-N 2 0 332.429 2.935 20 5 EFBDRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000415139140 312101922 /nfs/dbraw/zinc/10/19/22/312101922.db2.gz IGYHJWMRIVGCEC-UHFFFAOYSA-N 2 0 347.440 2.609 20 5 EFBDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000569305390 319366806 /nfs/dbraw/zinc/36/68/06/319366806.db2.gz HILYENFTQZHXSZ-LJQANCHMSA-N 2 0 346.475 2.589 20 5 EFBDRP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000571252365 319554910 /nfs/dbraw/zinc/55/49/10/319554910.db2.gz XVSYLPATBXLAQQ-HUUCEWRRSA-N 2 0 335.452 2.597 20 5 EFBDRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000124504364 473253383 /nfs/dbraw/zinc/25/33/83/473253383.db2.gz UEURFNTVEKHPJB-HNNXBMFYSA-N 2 0 334.464 2.519 20 5 EFBDRP Cc1cc(NCC2([NH+](C)C)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083873 472438163 /nfs/dbraw/zinc/43/81/63/472438163.db2.gz XMYWXYIHWFXNNU-UHFFFAOYSA-N 2 0 344.415 2.974 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154490896 472439750 /nfs/dbraw/zinc/43/97/50/472439750.db2.gz QZXDDOCYCAAQLM-QGZVFWFLSA-N 2 0 348.491 2.972 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000069948925 472472429 /nfs/dbraw/zinc/47/24/29/472472429.db2.gz CRWXYEKBZUVVSK-OAHLLOKOSA-N 2 0 348.447 2.505 20 5 EFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000155651044 472588375 /nfs/dbraw/zinc/58/83/75/472588375.db2.gz QKNOTUWWZQGYRE-GDBMZVCRSA-N 2 0 334.464 2.580 20 5 EFBDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000060368498 472648451 /nfs/dbraw/zinc/64/84/51/472648451.db2.gz VRJSEEURAVPPPU-HZPDHXFCSA-N 2 0 347.459 2.916 20 5 EFBDRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090937014 472665582 /nfs/dbraw/zinc/66/55/82/472665582.db2.gz VHGKGMHTANPSCO-CQSZACIVSA-N 2 0 344.415 2.781 20 5 EFBDRP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120998994 472780581 /nfs/dbraw/zinc/78/05/81/472780581.db2.gz MDXSZIDSCNIYAH-QAPCUYQASA-N 2 0 334.464 2.519 20 5 EFBDRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120999310 472781339 /nfs/dbraw/zinc/78/13/39/472781339.db2.gz MDXSZIDSCNIYAH-YJBOKZPZSA-N 2 0 334.464 2.519 20 5 EFBDRP O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157269781 472801763 /nfs/dbraw/zinc/80/17/63/472801763.db2.gz BQMFAUURPFTTKN-MRXNPFEDSA-N 2 0 333.432 2.924 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121343800 472839228 /nfs/dbraw/zinc/83/92/28/472839228.db2.gz JGMMYWJMXPTADI-HZPDHXFCSA-N 2 0 334.464 2.519 20 5 EFBDRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127584970 473630113 /nfs/dbraw/zinc/63/01/13/473630113.db2.gz GNKZQHGRWPMQHC-QAPCUYQASA-N 2 0 334.464 2.662 20 5 EFBDRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127585160 473630196 /nfs/dbraw/zinc/63/01/96/473630196.db2.gz GNKZQHGRWPMQHC-CRAIPNDOSA-N 2 0 334.464 2.662 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173385417 473822452 /nfs/dbraw/zinc/82/24/52/473822452.db2.gz LLZKPHOZCWFFDG-JKSUJKDBSA-N 2 0 334.464 2.519 20 5 EFBDRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173387920 473823587 /nfs/dbraw/zinc/82/35/87/473823587.db2.gz AAPIRAORQNUTDW-OAHLLOKOSA-N 2 0 334.464 2.519 20 5 EFBDRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194261355 473868035 /nfs/dbraw/zinc/86/80/35/473868035.db2.gz PVECRMDVGWULDS-OALUTQOASA-N 2 0 348.491 2.908 20 5 EFBDRP C[N@H+]1C[C@H]2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]2C1 ZINC000194541431 473914289 /nfs/dbraw/zinc/91/42/89/473914289.db2.gz QQIFNXKDRWRGMZ-GASCZTMLSA-N 2 0 327.384 2.848 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000182943776 474293391 /nfs/dbraw/zinc/29/33/91/474293391.db2.gz ISXWYTNTIHPUCV-INIZCTEOSA-N 2 0 348.491 2.922 20 5 EFBDRP CC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236918611 474303367 /nfs/dbraw/zinc/30/33/67/474303367.db2.gz UKTRRPQGXDCVKD-UHFFFAOYSA-N 2 0 343.431 2.569 20 5 EFBDRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271038785 474379894 /nfs/dbraw/zinc/37/98/94/474379894.db2.gz MMEVDDLSTNACLX-SFHVURJKSA-N 2 0 335.448 2.682 20 5 EFBDRP Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326872085 475012121 /nfs/dbraw/zinc/01/21/21/475012121.db2.gz AXRNFOWXZSDQQH-GJZGRUSLSA-N 2 0 342.399 2.727 20 5 EFBDRP Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326872086 475012891 /nfs/dbraw/zinc/01/28/91/475012891.db2.gz AXRNFOWXZSDQQH-HUUCEWRRSA-N 2 0 342.399 2.727 20 5 EFBDRP Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326872084 475013232 /nfs/dbraw/zinc/01/32/32/475013232.db2.gz AXRNFOWXZSDQQH-CABCVRRESA-N 2 0 342.399 2.727 20 5 EFBDRP Cn1cc(C[NH2+]CCC[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338717662 476130814 /nfs/dbraw/zinc/13/08/14/476130814.db2.gz ZHVUXBHGNBURAF-UHFFFAOYSA-N 2 0 343.431 2.571 20 5 EFBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000354095534 476421807 /nfs/dbraw/zinc/42/18/07/476421807.db2.gz CDSVMJVXKFSWLD-QGZVFWFLSA-N 2 0 335.448 2.836 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430567375 476862979 /nfs/dbraw/zinc/86/29/79/476862979.db2.gz FKXAWDTXCQEDAK-HNNXBMFYSA-N 2 0 336.436 2.537 20 5 EFBDRP COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1F ZINC000375756063 476988940 /nfs/dbraw/zinc/98/89/40/476988940.db2.gz HUGVXCGZYMFMKD-PBWFPOADSA-N 2 0 337.395 2.800 20 5 EFBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375892990 477066964 /nfs/dbraw/zinc/06/69/64/477066964.db2.gz WSPWVNSMMUYCFA-QFBILLFUSA-N 2 0 346.475 2.756 20 5 EFBDRP COCCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449110676 477443427 /nfs/dbraw/zinc/44/34/27/477443427.db2.gz FYGCBHVEBHNQNA-HNNXBMFYSA-N 2 0 335.448 2.616 20 5 EFBDRP CCc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420239532 477646726 /nfs/dbraw/zinc/64/67/26/477646726.db2.gz PKWWBPBPXRQYNL-DZGCQCFKSA-N 2 0 341.415 2.718 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420322344 477692743 /nfs/dbraw/zinc/69/27/43/477692743.db2.gz DTRMNOYCEOWZSD-CHWSQXEVSA-N 2 0 330.388 2.558 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)nc2c1 ZINC000420338589 477707422 /nfs/dbraw/zinc/70/74/22/477707422.db2.gz PNADPEIJLFSKQW-AWEZNQCLSA-N 2 0 330.388 2.700 20 5 EFBDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420363101 477721743 /nfs/dbraw/zinc/72/17/43/477721743.db2.gz NTAAVBOKIYRHST-INIZCTEOSA-N 2 0 344.415 2.770 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420379742 477734886 /nfs/dbraw/zinc/73/48/86/477734886.db2.gz NJZZDCQTBZKHDF-MZMPZRCHSA-N 2 0 333.432 2.874 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420379744 477734992 /nfs/dbraw/zinc/73/49/92/477734992.db2.gz NJZZDCQTBZKHDF-QBIMZIAESA-N 2 0 333.432 2.874 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420379746 477735672 /nfs/dbraw/zinc/73/56/72/477735672.db2.gz NJZZDCQTBZKHDF-RPVQJOFSSA-N 2 0 333.432 2.874 20 5 EFBDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000420984063 477877809 /nfs/dbraw/zinc/87/78/09/477877809.db2.gz SBWHBFSLQWLIGY-UHFFFAOYSA-N 2 0 346.475 2.587 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000532506433 477938467 /nfs/dbraw/zinc/93/84/67/477938467.db2.gz YFYIZHGJSUNSAJ-RDJZCZTQSA-N 2 0 335.448 2.791 20 5 EFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282690 478508997 /nfs/dbraw/zinc/50/89/97/478508997.db2.gz QEWLDJURWXBRBD-ZFWWWQNUSA-N 2 0 346.431 2.576 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582252 478584748 /nfs/dbraw/zinc/58/47/48/478584748.db2.gz AKQRRKBWNPLELG-UKRRQHHQSA-N 2 0 346.431 2.576 20 5 EFBDRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433578 478893859 /nfs/dbraw/zinc/89/38/59/478893859.db2.gz DJQIEAAWQKRBKY-HZPDHXFCSA-N 2 0 333.432 2.815 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595905911 479063246 /nfs/dbraw/zinc/06/32/46/479063246.db2.gz XRTTZKZJPKIZLG-CXAGYDPISA-N 2 0 348.447 2.681 20 5 EFBDRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599070647 479149231 /nfs/dbraw/zinc/14/92/31/479149231.db2.gz MUOQBDQHHDXZRD-OWCLPIDISA-N 2 0 335.452 2.597 20 5 EFBDRP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000593324536 479296417 /nfs/dbraw/zinc/29/64/17/479296417.db2.gz WUFKGNKTCQFVSU-HZPDHXFCSA-N 2 0 347.394 2.663 20 5 EFBDRP C[NH+](C)CCOc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602525850 479381285 /nfs/dbraw/zinc/38/12/85/479381285.db2.gz SSTXDUBPCSFVTL-UHFFFAOYSA-N 2 0 343.427 2.868 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593730844 479437803 /nfs/dbraw/zinc/43/78/03/479437803.db2.gz IFDJJGOTSGQRMA-YOEHRIQHSA-N 2 0 348.447 2.681 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593730842 479438477 /nfs/dbraw/zinc/43/84/77/479438477.db2.gz IFDJJGOTSGQRMA-RHSMWYFYSA-N 2 0 348.447 2.681 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000615722603 479744636 /nfs/dbraw/zinc/74/46/36/479744636.db2.gz QNOCSWZZXGOWHV-VBKFSLOCSA-N 2 0 346.475 2.614 20 5 EFBDRP CCC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155023755 521168263 /nfs/dbraw/zinc/16/82/63/521168263.db2.gz UYCMQWZMZOTKRV-YJBOKZPZSA-N 2 0 334.464 2.662 20 5 EFBDRP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000132351356 529013854 /nfs/dbraw/zinc/01/38/54/529013854.db2.gz DJJLJIWLMYIKRH-YJBOKZPZSA-N 2 0 334.464 2.517 20 5 EFBDRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000430560956 535458691 /nfs/dbraw/zinc/45/86/91/535458691.db2.gz JDZKVQNTVZFMEO-UHFFFAOYSA-N 2 0 348.447 2.553 20 5 EFBDRP CC[NH+]1CCN(CCC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000344818594 535699067 /nfs/dbraw/zinc/69/90/67/535699067.db2.gz FGAAZDGDJUSJAZ-VKAVYKQESA-N 2 0 346.475 2.615 20 5 EFBDRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000765472876 577044895 /nfs/dbraw/zinc/04/48/95/577044895.db2.gz QTKLWGDEFTVCTP-INIZCTEOSA-N 2 0 346.475 2.885 20 5 EFBDRP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)C[C@@H]3C2)cc1 ZINC001169025184 1272621545 /nfs/dbraw/zinc/62/15/45/1272621545.db2.gz XZKPMQQAQXJLLF-YSTOQKLRSA-N 2 0 343.471 2.804 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170298031 1278981150 /nfs/dbraw/zinc/98/11/50/1278981150.db2.gz YNTJXLSGUZNTBK-CQSZACIVSA-N 2 0 335.448 2.997 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170297713 1278981229 /nfs/dbraw/zinc/98/12/29/1278981229.db2.gz QUKNRVZLYHSNPF-GJZGRUSLSA-N 2 0 335.448 2.856 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001170317685 1279011270 /nfs/dbraw/zinc/01/12/70/1279011270.db2.gz JJAVVRSBFTYHGX-CWRNSKLLSA-N 2 0 335.448 2.997 20 5 EFBDRP CC1(C)C[C@H](NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577482 1276230313 /nfs/dbraw/zinc/23/03/13/1276230313.db2.gz ONGBNKINZAYTTL-MPGHIAIKSA-N 2 0 345.443 2.770 20 5 EFBDRP CC[N@H+](CCn1ccnc1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355314 1279033586 /nfs/dbraw/zinc/03/35/86/1279033586.db2.gz ZNBWWWNMUDJSJT-CQSZACIVSA-N 2 0 332.404 2.753 20 5 EFBDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818960363 1276550514 /nfs/dbraw/zinc/55/05/14/1276550514.db2.gz YQOQJHCNRSXJOS-CRAIPNDOSA-N 2 0 335.448 2.872 20 5 EFBDRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818959145 1276559927 /nfs/dbraw/zinc/55/99/27/1276559927.db2.gz DXLCCUAPPIVBNF-GOSISDBHSA-N 2 0 335.448 2.730 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001170306620 1279029133 /nfs/dbraw/zinc/02/91/33/1279029133.db2.gz YXASFFFYMATYSF-IUDNXUCKSA-N 2 0 335.448 2.997 20 5 EFBDRP COc1ccc(C[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001170348454 1279056062 /nfs/dbraw/zinc/05/60/62/1279056062.db2.gz XCCDBJKMLYWXLP-AWEZNQCLSA-N 2 0 335.448 2.808 20 5 EFBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000872065380 1287417938 /nfs/dbraw/zinc/41/79/38/1287417938.db2.gz ZYSPKRQUTPTAOR-LBPRGKRZSA-N 2 0 327.450 2.546 20 5 EFBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001175736208 1287533666 /nfs/dbraw/zinc/53/36/66/1287533666.db2.gz VHUYEGSPEZMHMI-UHFFFAOYSA-N 2 0 331.351 2.624 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)CC2)c1F ZINC001173175285 1286451509 /nfs/dbraw/zinc/45/15/09/1286451509.db2.gz BKGIXMZUIOAZIO-QWHCGFSZSA-N 2 0 339.411 2.747 20 5 EFBDRP CC[NH+](CC)CCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175080 1286451664 /nfs/dbraw/zinc/45/16/64/1286451664.db2.gz KDDVDJOQPZTCLR-CYBMUJFWSA-N 2 0 341.427 2.995 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c1F ZINC001173175286 1286451677 /nfs/dbraw/zinc/45/16/77/1286451677.db2.gz BKGIXMZUIOAZIO-STQMWFEESA-N 2 0 339.411 2.747 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCC[N@H+](C)CC2)c1F ZINC001173175284 1286451705 /nfs/dbraw/zinc/45/17/05/1286451705.db2.gz BKGIXMZUIOAZIO-OLZOCXBDSA-N 2 0 339.411 2.747 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1F ZINC001173176534 1286452323 /nfs/dbraw/zinc/45/23/23/1286452323.db2.gz HVGSWPIMRDMWMN-OLZOCXBDSA-N 2 0 339.411 2.605 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCCC[NH+](C)C)c1F ZINC001173175943 1286452627 /nfs/dbraw/zinc/45/26/27/1286452627.db2.gz DSGOJIQKQPZYQF-ZDUSSCGKSA-N 2 0 341.427 2.995 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccccc2C[NH3+])c1F ZINC001173183562 1286456270 /nfs/dbraw/zinc/45/62/70/1286456270.db2.gz MQOGMMUBLMVDTB-GFCCVEGCSA-N 2 0 347.390 2.922 20 5 EFBDRP Cc1c(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873095787 1289565902 /nfs/dbraw/zinc/56/59/02/1289565902.db2.gz RADJTUXLIITDDP-UHFFFAOYSA-N 2 0 341.415 2.662 20 5 EFBDRP Cc1c([C@H](C)[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000873290467 1289704459 /nfs/dbraw/zinc/70/44/59/1289704459.db2.gz DZIPQLMBVXBPKP-GJZGRUSLSA-N 2 0 333.432 2.713 20 5 EFBDRP C[C@H]1CCCC[N@@H+]1CCC1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000125522213 1290606485 /nfs/dbraw/zinc/60/64/85/1290606485.db2.gz ODDXGCRKDBXGID-HNNXBMFYSA-N 2 0 335.452 2.725 20 5 EFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000121748504 1303894747 /nfs/dbraw/zinc/89/47/47/1303894747.db2.gz MFBWZHTUIIRSRL-UHFFFAOYSA-N 2 0 344.406 2.583 20 5 EFBDRP CC[N+](C)(C)Cc1ccccc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163286166 1312282586 /nfs/dbraw/zinc/28/25/86/1312282586.db2.gz ZFVSQVOIIUYMMN-YLJYHZDGSA-N 2 0 332.512 2.854 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)c1F ZINC001246095335 1314582524 /nfs/dbraw/zinc/58/25/24/1314582524.db2.gz BHHZOBXGSFEXFE-FRRDWIJNSA-N 2 0 339.411 2.509 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)[NH2+]C2)c1F ZINC001246102800 1314583885 /nfs/dbraw/zinc/58/38/85/1314583885.db2.gz XDLVWSFDXIAPGR-FRRDWIJNSA-N 2 0 339.411 2.651 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)c1F ZINC001246122603 1314585947 /nfs/dbraw/zinc/58/59/47/1314585947.db2.gz XTHMUTHNXDQCEK-AGIUHOORSA-N 2 0 339.411 2.509 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246404193 1314624220 /nfs/dbraw/zinc/62/42/20/1314624220.db2.gz IZVVTCMBBWBKSB-FSPWUOQZSA-N 2 0 335.423 2.901 20 5 EFBDRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246557959 1314648025 /nfs/dbraw/zinc/64/80/25/1314648025.db2.gz LZOGWASNRSPCIK-AEFFLSMTSA-N 2 0 335.423 2.995 20 5 EFBDRP COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246580497 1314650850 /nfs/dbraw/zinc/65/08/50/1314650850.db2.gz WORSYZZTDZDKCZ-RDTXWAMCSA-N 2 0 335.448 2.985 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC([C@H]3CCCC[NH2+]3)CC1)C2 ZINC001246656885 1314665487 /nfs/dbraw/zinc/66/54/87/1314665487.db2.gz OOGKQPBDAOYNIU-RTBURBONSA-N 2 0 329.444 2.916 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(C1)C[NH2+]CC[C@@H]3F)CC2 ZINC001246693703 1314671872 /nfs/dbraw/zinc/67/18/72/1314671872.db2.gz QCUJALRUGXEOIC-NEWSRXKRSA-N 2 0 347.434 2.866 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(C1)C[NH2+]CC[C@@H]3F)CC2 ZINC001246693704 1314671954 /nfs/dbraw/zinc/67/19/54/1314671954.db2.gz QCUJALRUGXEOIC-NZSAHSFTSA-N 2 0 347.434 2.866 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CC2 ZINC001246945077 1314712357 /nfs/dbraw/zinc/71/23/57/1314712357.db2.gz ZHLJMQOWNSCHSZ-FGTMMUONSA-N 2 0 329.444 2.774 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)CC2)cc1 ZINC001247016415 1314731802 /nfs/dbraw/zinc/73/18/02/1314731802.db2.gz UXTBZYXKSXKIHP-HNAYVOBHSA-N 2 0 344.459 2.638 20 5 EFBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)CC[NH2+]C ZINC001219005206 1315271981 /nfs/dbraw/zinc/27/19/81/1315271981.db2.gz GUKFILMEWJIYII-UHFFFAOYSA-N 2 0 338.411 2.505 20 5 EFBDRP C[N@H+](C1CCC([NH3+])CC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466601 1315706747 /nfs/dbraw/zinc/70/67/47/1315706747.db2.gz GZEVZDUVUSOCIM-UHFFFAOYSA-N 2 0 332.448 2.765 20 5 EFBDRP C[NH+]1CCC2(CC1)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254605539 1315730506 /nfs/dbraw/zinc/73/05/06/1315730506.db2.gz BECFWERLWKEWDR-GOSISDBHSA-N 2 0 329.444 2.870 20 5 EFBDRP Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001318833228 1328715542 /nfs/dbraw/zinc/71/55/42/1328715542.db2.gz PENFXCMPEOUKAS-UHFFFAOYSA-N 2 0 337.339 2.665 20 5 EFBDRP Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001322844825 1329493722 /nfs/dbraw/zinc/49/37/22/1329493722.db2.gz CWRNTZXLAKVGRE-UHFFFAOYSA-N 2 0 337.339 2.665 20 5 EFBDRP [NH3+]CC[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000723685203 714810739 /nfs/dbraw/zinc/81/07/39/714810739.db2.gz CXCCJGGFPNIGJL-SNVBAGLBSA-N 2 0 328.210 2.528 20 5 EFBDRP COc1c(O)ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001579136727 1090522888 /nfs/dbraw/zinc/52/28/88/1090522888.db2.gz QBBBNLJPZOGRHC-AWEZNQCLSA-N 2 0 349.431 2.521 20 5 EFBDRP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[NH+]1C ZINC000072759280 203243433 /nfs/dbraw/zinc/24/34/33/203243433.db2.gz BBIGANQKSWLQML-HNNXBMFYSA-N 2 0 348.447 2.730 20 5 EFBDRP COCC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000423404463 246626044 /nfs/dbraw/zinc/62/60/44/246626044.db2.gz IRDXAOUKRKDSMI-KRWDZBQOSA-N 2 0 333.432 2.578 20 5 EFBDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435384720 248234283 /nfs/dbraw/zinc/23/42/83/248234283.db2.gz NXFIIXUUBJNNDT-DZGCQCFKSA-N 2 0 343.431 2.555 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449559146 251065808 /nfs/dbraw/zinc/06/58/08/251065808.db2.gz AZOSWEJXYNECMT-JATKITJMSA-N 2 0 346.431 2.527 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349293632 533407802 /nfs/dbraw/zinc/40/78/02/533407802.db2.gz GALINWGKZHGSQU-SAPNQHFASA-N 2 0 346.475 2.567 20 5 EFBDRP [NH3+]CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000359307758 148051815 /nfs/dbraw/zinc/05/18/15/148051815.db2.gz OMPDWPXKPZOIEW-UHFFFAOYSA-N 2 0 329.400 2.825 20 5 EFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000272603877 266323333 /nfs/dbraw/zinc/32/33/33/266323333.db2.gz UXKWRIHXOWRCNN-CQSZACIVSA-N 2 0 348.447 2.633 20 5 EFBDRP C[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000279139881 273181187 /nfs/dbraw/zinc/18/11/87/273181187.db2.gz RVSAWCGKKIOKPT-KSSFIOAISA-N 2 0 346.475 2.543 20 5 EFBDRP COCC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000423409962 277199517 /nfs/dbraw/zinc/19/95/17/277199517.db2.gz RFCDXKPKCADFTN-QGZVFWFLSA-N 2 0 347.459 2.923 20 5 EFBDRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000423416000 279656271 /nfs/dbraw/zinc/65/62/71/279656271.db2.gz BMXYVWFFWMQAGN-YHUYYLMFSA-N 2 0 335.452 2.630 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154385676 293423662 /nfs/dbraw/zinc/42/36/62/293423662.db2.gz ZCNDJXCIJLZCHM-MRXNPFEDSA-N 2 0 334.464 2.581 20 5 EFBDRP COc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000290445516 294088513 /nfs/dbraw/zinc/08/85/13/294088513.db2.gz LZNFPZDGQPPRTK-MRXNPFEDSA-N 2 0 333.432 2.767 20 5 EFBDRP Cc1cc(N2CC[NH+](CC3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302187812 311183514 /nfs/dbraw/zinc/18/35/14/311183514.db2.gz QDFWRRMRLYZGBS-UHFFFAOYSA-N 2 0 326.400 2.983 20 5 EFBDRP Cc1cc(NC[C@@H](C)C[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302212657 311184906 /nfs/dbraw/zinc/18/49/06/311184906.db2.gz YXXVFAZOLNNYIU-CYBMUJFWSA-N 2 0 344.415 2.832 20 5 EFBDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000415133300 312100541 /nfs/dbraw/zinc/10/05/41/312100541.db2.gz VBABNQVKCDSETC-GBNVKOLXSA-N 2 0 345.443 2.826 20 5 EFBDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417302427 312206031 /nfs/dbraw/zinc/20/60/31/312206031.db2.gz BJHVFVMVKCROGT-LJQANCHMSA-N 2 0 346.475 2.589 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000565533753 318979950 /nfs/dbraw/zinc/97/99/50/318979950.db2.gz JMYWZAPJGUNTBN-RCCFBDPRSA-N 2 0 333.432 2.874 20 5 EFBDRP CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(C[NH3+])CCC1 ZINC000580196732 324118741 /nfs/dbraw/zinc/11/87/41/324118741.db2.gz ALVPPMZYBLYIFB-UHFFFAOYSA-N 2 0 330.388 2.606 20 5 EFBDRP CC(C)(C)[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000581305343 324348627 /nfs/dbraw/zinc/34/86/27/324348627.db2.gz DILXNLYMPYGYIX-UHFFFAOYSA-N 2 0 348.447 2.776 20 5 EFBDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081568914 473221836 /nfs/dbraw/zinc/22/18/36/473221836.db2.gz CKYVNRGHZZJYLM-OAHLLOKOSA-N 2 0 348.447 2.587 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000150969692 473388877 /nfs/dbraw/zinc/38/88/77/473388877.db2.gz WTLOBBVCVHWCPK-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000150979063 473390697 /nfs/dbraw/zinc/39/06/97/473390697.db2.gz DBGSHRVWHYPANX-GOSISDBHSA-N 2 0 334.464 2.662 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000154386241 472427637 /nfs/dbraw/zinc/42/76/37/472427637.db2.gz COBYKROEZDTRAD-MRXNPFEDSA-N 2 0 334.464 2.581 20 5 EFBDRP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000128506690 472461363 /nfs/dbraw/zinc/46/13/63/472461363.db2.gz XFXVSAYLSYTIAU-SFHVURJKSA-N 2 0 334.464 2.663 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843386 472512784 /nfs/dbraw/zinc/51/27/84/472512784.db2.gz WXHBCKDZASUDFZ-HNNXBMFYSA-N 2 0 348.447 2.505 20 5 EFBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155632871 472584534 /nfs/dbraw/zinc/58/45/34/472584534.db2.gz AFTKQVLWXCRGPQ-HZPDHXFCSA-N 2 0 334.464 2.580 20 5 EFBDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000060368497 472648472 /nfs/dbraw/zinc/64/84/72/472648472.db2.gz VRJSEEURAVPPPU-HOTGVXAUSA-N 2 0 347.459 2.916 20 5 EFBDRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090937013 472666234 /nfs/dbraw/zinc/66/62/34/472666234.db2.gz VHGKGMHTANPSCO-AWEZNQCLSA-N 2 0 344.415 2.781 20 5 EFBDRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000090937403 472667036 /nfs/dbraw/zinc/66/70/36/472667036.db2.gz RQXXFSQMWASLFN-AWEZNQCLSA-N 2 0 344.415 2.781 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000132353246 472728653 /nfs/dbraw/zinc/72/86/53/472728653.db2.gz JCZSIKOQJKVBHN-VQIMIIECSA-N 2 0 348.491 2.826 20 5 EFBDRP CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120943852 472772522 /nfs/dbraw/zinc/77/25/22/472772522.db2.gz LPDUWZQCYUQHKF-APWZRJJASA-N 2 0 348.491 2.909 20 5 EFBDRP CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120943999 472772763 /nfs/dbraw/zinc/77/27/63/472772763.db2.gz LPDUWZQCYUQHKF-VQIMIIECSA-N 2 0 348.491 2.909 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121343284 472838331 /nfs/dbraw/zinc/83/83/31/472838331.db2.gz JGMMYWJMXPTADI-HOTGVXAUSA-N 2 0 334.464 2.519 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)C1CC1 ZINC000157626619 472840456 /nfs/dbraw/zinc/84/04/56/472840456.db2.gz GSAMGQGXRXDYNU-QZTJIDSGSA-N 2 0 329.444 2.990 20 5 EFBDRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192787144 473724074 /nfs/dbraw/zinc/72/40/74/473724074.db2.gz BBTRSRRFZNFHRO-MRXNPFEDSA-N 2 0 334.464 2.662 20 5 EFBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192942318 473749286 /nfs/dbraw/zinc/74/92/86/473749286.db2.gz OMEICZTZLBGARN-WMZOPIPTSA-N 2 0 335.448 2.919 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173319390 473805096 /nfs/dbraw/zinc/80/50/96/473805096.db2.gz YREZDGCIUVABMO-INIZCTEOSA-N 2 0 334.464 2.663 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247037342 474043532 /nfs/dbraw/zinc/04/35/32/474043532.db2.gz NZCRWDNZUJUBMG-QFBILLFUSA-N 2 0 349.475 2.864 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCC2 ZINC000249060314 474516085 /nfs/dbraw/zinc/51/60/85/474516085.db2.gz ZUPJJXOYHYNHOE-HKUYNNGSSA-N 2 0 347.459 2.799 20 5 EFBDRP C[NH+](C)CCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000609223268 480128530 /nfs/dbraw/zinc/12/85/30/480128530.db2.gz COHJQMMMLOSLGG-UHFFFAOYSA-N 2 0 343.427 2.868 20 5 EFBDRP Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326872087 475012479 /nfs/dbraw/zinc/01/24/79/475012479.db2.gz AXRNFOWXZSDQQH-LSDHHAIUSA-N 2 0 342.399 2.727 20 5 EFBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000294221831 475063846 /nfs/dbraw/zinc/06/38/46/475063846.db2.gz NQXXHKRJGNLMNS-UHFFFAOYSA-N 2 0 326.400 2.791 20 5 EFBDRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352503147 475359422 /nfs/dbraw/zinc/35/94/22/475359422.db2.gz CCUGYEIQAKDRBX-HNNXBMFYSA-N 2 0 344.415 2.996 20 5 EFBDRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331991406 475478156 /nfs/dbraw/zinc/47/81/56/475478156.db2.gz ZJSWWGHIXWZLSY-IAGOWNOFSA-N 2 0 349.479 2.985 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000358364302 475621292 /nfs/dbraw/zinc/62/12/92/475621292.db2.gz IEULWTNMOFURAV-VQIMIIECSA-N 2 0 349.475 2.864 20 5 EFBDRP Cc1c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000362719232 476365847 /nfs/dbraw/zinc/36/58/47/476365847.db2.gz HPNQSLPTCSMEAB-SFHVURJKSA-N 2 0 346.475 2.504 20 5 EFBDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000369205952 476397012 /nfs/dbraw/zinc/39/70/12/476397012.db2.gz UBCLXIMZUHQLEB-UHFFFAOYSA-N 2 0 348.403 2.811 20 5 EFBDRP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000377617277 476476117 /nfs/dbraw/zinc/47/61/17/476476117.db2.gz AJPZHVUENIHAOD-SFHVURJKSA-N 2 0 346.475 2.504 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354420712 476651088 /nfs/dbraw/zinc/65/10/88/476651088.db2.gz ZMUAVIODIDAGHN-UHFFFAOYSA-N 2 0 348.447 2.505 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422641304 476728105 /nfs/dbraw/zinc/72/81/05/476728105.db2.gz XMWUEHWLYXGIGM-QEJZJMRPSA-N 2 0 348.447 2.537 20 5 EFBDRP C[C@](C[NH3+])([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000430561181 476859869 /nfs/dbraw/zinc/85/98/69/476859869.db2.gz JZXDXPKMRJPRMT-QGZVFWFLSA-N 2 0 330.388 2.509 20 5 EFBDRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000370638464 476909127 /nfs/dbraw/zinc/90/91/27/476909127.db2.gz XSAXOPVZJUNRJU-LPHOPBHVSA-N 2 0 346.475 2.804 20 5 EFBDRP CC1CC[NH+](CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518594 477001487 /nfs/dbraw/zinc/00/14/87/477001487.db2.gz OCBILSNGIVTKRB-IAGOWNOFSA-N 2 0 349.479 2.987 20 5 EFBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447541225 477008121 /nfs/dbraw/zinc/00/81/21/477008121.db2.gz FXIWSDIBOZEZNE-BRWVUGGUSA-N 2 0 349.479 2.985 20 5 EFBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447547577 477009056 /nfs/dbraw/zinc/00/90/56/477009056.db2.gz CQHVDMWCAKEEHE-BZUAXINKSA-N 2 0 335.452 2.597 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000447567692 477013811 /nfs/dbraw/zinc/01/38/11/477013811.db2.gz DHGOBEFMGDTFGJ-DLBZAZTESA-N 2 0 347.463 2.739 20 5 EFBDRP C[NH+](C)CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447596786 477020684 /nfs/dbraw/zinc/02/06/84/477020684.db2.gz DILHWGNGQCBWJU-HZPDHXFCSA-N 2 0 349.479 2.987 20 5 EFBDRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423467442 477039138 /nfs/dbraw/zinc/03/91/38/477039138.db2.gz IXTGLEZRQDFKAA-YSVLISHTSA-N 2 0 343.431 2.525 20 5 EFBDRP C[C@H]1C[N@H+](CCC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000432366952 477203795 /nfs/dbraw/zinc/20/37/95/477203795.db2.gz DIJIXXAEZJSSGB-FAOGRTBUSA-N 2 0 333.432 2.699 20 5 EFBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449159557 477463231 /nfs/dbraw/zinc/46/32/31/477463231.db2.gz HHJMAGLFXXHZAQ-HZPDHXFCSA-N 2 0 347.459 2.616 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)nc2c1 ZINC000420338590 477708162 /nfs/dbraw/zinc/70/81/62/477708162.db2.gz PNADPEIJLFSKQW-CQSZACIVSA-N 2 0 330.388 2.700 20 5 EFBDRP Cc1c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000420377045 477733910 /nfs/dbraw/zinc/73/39/10/477733910.db2.gz KNKKHNJPYLYAGJ-AEFFLSMTSA-N 2 0 333.432 2.622 20 5 EFBDRP Cc1c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000420395936 477746109 /nfs/dbraw/zinc/74/61/09/477746109.db2.gz UVZWDAXHNCVFJS-AEFFLSMTSA-N 2 0 333.432 2.622 20 5 EFBDRP CCOc1cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000516875859 478003366 /nfs/dbraw/zinc/00/33/66/478003366.db2.gz YLIQGMUKNFWZLQ-AWEZNQCLSA-N 2 0 330.388 2.717 20 5 EFBDRP C[N@H+](CCOCC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000600774608 478513397 /nfs/dbraw/zinc/51/33/97/478513397.db2.gz RSHUWOTUYLSNFA-UHFFFAOYSA-N 2 0 335.429 2.730 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582250 478585648 /nfs/dbraw/zinc/58/56/48/478585648.db2.gz AKQRRKBWNPLELG-DZGCQCFKSA-N 2 0 346.431 2.576 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000591582600 478587139 /nfs/dbraw/zinc/58/71/39/478587139.db2.gz NDJLWQTVQDLPRT-SOUVJXGZSA-N 2 0 333.436 2.539 20 5 EFBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492617 478913440 /nfs/dbraw/zinc/91/34/40/478913440.db2.gz BWSAPWHULHNEOI-CVEARBPZSA-N 2 0 333.432 2.685 20 5 EFBDRP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000595901475 479058896 /nfs/dbraw/zinc/05/88/96/479058896.db2.gz WOOKTCDYCMXTKS-MRXNPFEDSA-N 2 0 333.432 2.685 20 5 EFBDRP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000595900623 479059856 /nfs/dbraw/zinc/05/98/56/479059856.db2.gz ILRPUPXPCWRWNQ-CQSZACIVSA-N 2 0 344.415 2.948 20 5 EFBDRP C[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000602019743 479141941 /nfs/dbraw/zinc/14/19/41/479141941.db2.gz HFSUYYLGZVWEHS-CYBMUJFWSA-N 2 0 327.388 2.573 20 5 EFBDRP Cn1ccnc1[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000602024048 479145255 /nfs/dbraw/zinc/14/52/55/479145255.db2.gz ZMXQKCOWCNRKII-QRTARXTBSA-N 2 0 343.431 2.525 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599072197 479149143 /nfs/dbraw/zinc/14/91/43/479149143.db2.gz ZWWSWFPWBQCUSJ-HUUCEWRRSA-N 2 0 348.447 2.633 20 5 EFBDRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000599070646 479149808 /nfs/dbraw/zinc/14/98/08/479149808.db2.gz MUOQBDQHHDXZRD-OAGGEKHMSA-N 2 0 335.452 2.597 20 5 EFBDRP Cc1c([C@@H](C)[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000610798717 479192866 /nfs/dbraw/zinc/19/28/66/479192866.db2.gz UWXYJHVDDKTJNE-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP C[NH+]1CCC(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602545905 479391317 /nfs/dbraw/zinc/39/13/17/479391317.db2.gz RLGPQGVQXRBEIH-UHFFFAOYSA-N 2 0 348.266 2.850 20 5 EFBDRP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000593730803 479436442 /nfs/dbraw/zinc/43/64/42/479436442.db2.gz GZBUFZHKDCRQPZ-CZUORRHYSA-N 2 0 348.447 2.681 20 5 EFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000618565247 479494628 /nfs/dbraw/zinc/49/46/28/479494628.db2.gz JXPVWIVQKMCMKU-IRXDYDNUSA-N 2 0 347.463 2.739 20 5 EFBDRP O=[N+]([O-])c1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000182981089 527349645 /nfs/dbraw/zinc/34/96/45/527349645.db2.gz ZGPCNNOPCZVVMO-UHFFFAOYSA-N 2 0 347.459 2.919 20 5 EFBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154272664 529145230 /nfs/dbraw/zinc/14/52/30/529145230.db2.gz RDOCVBJTPLOYJY-MRXNPFEDSA-N 2 0 334.464 2.581 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001168967516 1272559719 /nfs/dbraw/zinc/55/97/19/1272559719.db2.gz QHWKXTDOHZHLFQ-QYZOEREBSA-N 2 0 331.460 2.934 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998316 1272574981 /nfs/dbraw/zinc/57/49/81/1272574981.db2.gz LFTHXZQWGRYURE-JOCBIADPSA-N 2 0 332.448 2.599 20 5 EFBDRP [NH3+]C1(Cc2cccc(F)c2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997549 1272575255 /nfs/dbraw/zinc/57/52/55/1272575255.db2.gz DEFGDHJFPKIPNW-DOTOQJQBSA-N 2 0 335.423 2.607 20 5 EFBDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818962276 1276551645 /nfs/dbraw/zinc/55/16/45/1276551645.db2.gz ZTXYIUPKTMJOOP-FCEWJHQRSA-N 2 0 349.475 2.976 20 5 EFBDRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818969314 1276573687 /nfs/dbraw/zinc/57/36/87/1276573687.db2.gz CQAYEXZEKPLNFZ-LJQANCHMSA-N 2 0 343.427 2.870 20 5 EFBDRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818969221 1276574052 /nfs/dbraw/zinc/57/40/52/1276574052.db2.gz ASRDUYFDXLAQQL-LJQANCHMSA-N 2 0 343.427 2.870 20 5 EFBDRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819251336 1276684831 /nfs/dbraw/zinc/68/48/31/1276684831.db2.gz DYOYRZLYXFPYAH-LJQANCHMSA-N 2 0 343.427 2.522 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001170306621 1279029261 /nfs/dbraw/zinc/02/92/61/1279029261.db2.gz YXASFFFYMATYSF-JEYLPNPQSA-N 2 0 335.448 2.997 20 5 EFBDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000809735312 1282414252 /nfs/dbraw/zinc/41/42/52/1282414252.db2.gz AOBNJZIEWFOSIB-MRXNPFEDSA-N 2 0 346.475 2.884 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)c1F ZINC001173189274 1286457921 /nfs/dbraw/zinc/45/79/21/1286457921.db2.gz NXZBJOAZSRUNCI-OLZOCXBDSA-N 2 0 339.411 2.747 20 5 EFBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001173226651 1286482203 /nfs/dbraw/zinc/48/22/03/1286482203.db2.gz NEBBKEBJVFHTOK-OAHLLOKOSA-N 2 0 326.400 2.743 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873043027 1289537080 /nfs/dbraw/zinc/53/70/80/1289537080.db2.gz KMZMNPOOVLGNKH-HNNXBMFYSA-N 2 0 348.491 2.575 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000873048954 1289539000 /nfs/dbraw/zinc/53/90/00/1289539000.db2.gz SUPKPEBKCGKYNN-INIZCTEOSA-N 2 0 335.448 2.538 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000873049459 1289540950 /nfs/dbraw/zinc/54/09/50/1289540950.db2.gz GZNJAFRLQBCYPQ-KRWDZBQOSA-N 2 0 347.459 2.945 20 5 EFBDRP Cc1c([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000873290469 1289704401 /nfs/dbraw/zinc/70/44/01/1289704401.db2.gz DZIPQLMBVXBPKP-LSDHHAIUSA-N 2 0 333.432 2.713 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000873293667 1289709099 /nfs/dbraw/zinc/70/90/99/1289709099.db2.gz OVDJNUZKPVJCDT-WMZOPIPTSA-N 2 0 345.443 2.721 20 5 EFBDRP CC1(C)[C@@H]([NH3+])C[C@@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000883443058 1293595628 /nfs/dbraw/zinc/59/56/28/1293595628.db2.gz ZCGATAQQKMTURY-RYUDHWBXSA-N 2 0 328.210 2.573 20 5 EFBDRP C[N+](C)(C)CCCO[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001224621039 1311414764 /nfs/dbraw/zinc/41/47/64/1311414764.db2.gz IYWCTGQDLZHHNS-CYBMUJFWSA-N 2 0 332.921 2.874 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC[C@H](C)[NH2+]C2)c1F ZINC001246102799 1314583780 /nfs/dbraw/zinc/58/37/80/1314583780.db2.gz XDLVWSFDXIAPGR-AVGNSLFASA-N 2 0 339.411 2.651 20 5 EFBDRP Cc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001213665635 1314587608 /nfs/dbraw/zinc/58/76/08/1314587608.db2.gz DACNTWCFMJHQGT-UHFFFAOYSA-N 2 0 327.388 2.794 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246404195 1314624293 /nfs/dbraw/zinc/62/42/93/1314624293.db2.gz IZVVTCMBBWBKSB-XWIAVFTESA-N 2 0 335.423 2.901 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCCC[C@H]2[NH3+])c1F ZINC001246479047 1314633769 /nfs/dbraw/zinc/63/37/69/1314633769.db2.gz RMPWGKGOXKKQPQ-RTXFEEFZSA-N 2 0 325.384 2.533 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH3+])c1F ZINC001246479049 1314633782 /nfs/dbraw/zinc/63/37/82/1314633782.db2.gz RMPWGKGOXKKQPQ-UHTWSYAYSA-N 2 0 325.384 2.533 20 5 EFBDRP [NH3+]C[C@@H]1CCCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246589257 1314651974 /nfs/dbraw/zinc/65/19/74/1314651974.db2.gz DRKZNSOBYSGLRF-HNNXBMFYSA-N 2 0 332.448 2.624 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(C1)CCC[NH2+]C3)CC2 ZINC001246609867 1314657362 /nfs/dbraw/zinc/65/73/62/1314657362.db2.gz OXTCQSJZMRVLBC-MJGOQNOKSA-N 2 0 329.444 2.918 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(C1)C[NH2+]CC[C@H]3F)CC2 ZINC001246693702 1314671672 /nfs/dbraw/zinc/67/16/72/1314671672.db2.gz QCUJALRUGXEOIC-BHIYHBOVSA-N 2 0 347.434 2.866 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(C1)C[NH2+]CC[C@H]3F)CC2 ZINC001246693705 1314672062 /nfs/dbraw/zinc/67/20/62/1314672062.db2.gz QCUJALRUGXEOIC-QRQLOZEOSA-N 2 0 347.434 2.866 20 5 EFBDRP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466629 1315707084 /nfs/dbraw/zinc/70/70/84/1315707084.db2.gz IYFVHNGXSVXPLH-INIZCTEOSA-N 2 0 332.448 2.638 20 5 EFBDRP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466630 1315707195 /nfs/dbraw/zinc/70/71/95/1315707195.db2.gz IYFVHNGXSVXPLH-MRXNPFEDSA-N 2 0 332.448 2.638 20 5 EFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001254544357 1315721698 /nfs/dbraw/zinc/72/16/98/1315721698.db2.gz JEBJYYKAQJEMRP-SZMVWBNQSA-N 2 0 347.459 2.759 20 5 EFBDRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254581562 1315726895 /nfs/dbraw/zinc/72/68/95/1315726895.db2.gz LPHLTJPMFAANOC-GOSISDBHSA-N 2 0 325.412 2.913 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CCC3)CC1)C2 ZINC001254587418 1315727952 /nfs/dbraw/zinc/72/79/52/1315727952.db2.gz XCWBFGLRTRLTSE-SFHVURJKSA-N 2 0 329.444 2.916 20 5 EFBDRP COc1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c([N+](=O)[O-])cc1OC ZINC001328412826 1330590255 /nfs/dbraw/zinc/59/02/55/1330590255.db2.gz UCHLLIIYAQLKFG-UHFFFAOYSA-N 2 0 349.431 2.578 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC001579735112 1090674048 /nfs/dbraw/zinc/67/40/48/1090674048.db2.gz XUWZWCMCHDQQBC-APWZRJJASA-N 2 0 347.459 2.930 20 5 EFBDRP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[NH+]1C ZINC000072305208 216142921 /nfs/dbraw/zinc/14/29/21/216142921.db2.gz CDOSTTPFXZXHFO-MRXNPFEDSA-N 2 0 348.447 2.730 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000191609275 239208380 /nfs/dbraw/zinc/20/83/80/239208380.db2.gz SHFNOFSSDYOUTB-KRWDZBQOSA-N 2 0 348.491 2.970 20 5 EFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192670584 240056996 /nfs/dbraw/zinc/05/69/96/240056996.db2.gz NWEUXLGLMKSUBY-KXBFYZLASA-N 2 0 346.475 2.588 20 5 EFBDRP C[C@@H]([NH3+])[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377695 248232209 /nfs/dbraw/zinc/23/22/09/248232209.db2.gz FJFMWAVWRKWUBR-YPMHNXCESA-N 2 0 332.429 2.887 20 5 EFBDRP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422919454 285110399 /nfs/dbraw/zinc/11/03/99/285110399.db2.gz KBOUPVWJUKAFCB-CEXWTWQISA-N 2 0 347.459 2.664 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344091497 145365753 /nfs/dbraw/zinc/36/57/53/145365753.db2.gz NMZPIYZILKUQMX-AEFFLSMTSA-N 2 0 349.475 2.864 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000160205311 225359672 /nfs/dbraw/zinc/35/96/72/225359672.db2.gz KCZFUDUJLOGBQP-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP C[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000279139875 273181235 /nfs/dbraw/zinc/18/12/35/273181235.db2.gz RVSAWCGKKIOKPT-KBXCAEBGSA-N 2 0 346.475 2.543 20 5 EFBDRP O=[N+]([O-])c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173959089 280363296 /nfs/dbraw/zinc/36/32/96/280363296.db2.gz UUNCJIILPGTRRE-UHFFFAOYSA-N 2 0 333.432 2.672 20 5 EFBDRP C[NH+](C)C1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000421878396 289066368 /nfs/dbraw/zinc/06/63/68/289066368.db2.gz NFWXFKVZUFXJFS-FJBKBRRZSA-N 2 0 335.452 2.737 20 5 EFBDRP COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298534951 311000534 /nfs/dbraw/zinc/00/05/34/311000534.db2.gz SKELOASNDRLBEU-UHFFFAOYSA-N 2 0 342.399 2.757 20 5 EFBDRP CCOCC[NH+]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302137466 311179803 /nfs/dbraw/zinc/17/98/03/311179803.db2.gz DNXQHVHPBCCBGJ-UHFFFAOYSA-N 2 0 344.415 2.610 20 5 EFBDRP COCC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414942181 312067909 /nfs/dbraw/zinc/06/79/09/312067909.db2.gz BJYFTVMZEDMHRS-UHFFFAOYSA-N 2 0 335.448 2.824 20 5 EFBDRP C[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000417302681 312205996 /nfs/dbraw/zinc/20/59/96/312205996.db2.gz CSDNVPFWLQAFAJ-KXBFYZLASA-N 2 0 346.475 2.588 20 5 EFBDRP C[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000417302676 312206038 /nfs/dbraw/zinc/20/60/38/312206038.db2.gz CSDNVPFWLQAFAJ-DNVCBOLYSA-N 2 0 346.475 2.588 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423442204 312419410 /nfs/dbraw/zinc/41/94/10/312419410.db2.gz PQDMPYGENVBIIC-RCCFBDPRSA-N 2 0 329.444 2.894 20 5 EFBDRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000577883804 320154175 /nfs/dbraw/zinc/15/41/75/320154175.db2.gz QZXJBSOKBWYDMB-GXTWGEPZSA-N 2 0 330.388 2.604 20 5 EFBDRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000124489450 473251858 /nfs/dbraw/zinc/25/18/58/473251858.db2.gz NBXDBYQBNMMBOW-LJQANCHMSA-N 2 0 348.491 2.909 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000154376409 472425011 /nfs/dbraw/zinc/42/50/11/472425011.db2.gz WGOYTTZNPOSCSW-INIZCTEOSA-N 2 0 334.464 2.581 20 5 EFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000155650934 472588225 /nfs/dbraw/zinc/58/82/25/472588225.db2.gz QKNOTUWWZQGYRE-GOEBONIOSA-N 2 0 334.464 2.580 20 5 EFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000155649980 472588542 /nfs/dbraw/zinc/58/85/42/472588542.db2.gz HUJZAMPXLQMWIS-JKSUJKDBSA-N 2 0 334.464 2.580 20 5 EFBDRP CC(C)c1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000105476763 472754872 /nfs/dbraw/zinc/75/48/72/472754872.db2.gz WWLLLOBVYZOKBO-UHFFFAOYSA-N 2 0 348.491 2.835 20 5 EFBDRP CC[NH+](CC)CCOC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075007818 473110949 /nfs/dbraw/zinc/11/09/49/473110949.db2.gz KAOPTVOCOSWJJP-UHFFFAOYSA-N 2 0 349.475 2.960 20 5 EFBDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075007861 473112192 /nfs/dbraw/zinc/11/21/92/473112192.db2.gz CWGNMKTTXHVMJR-UHFFFAOYSA-N 2 0 335.448 2.918 20 5 EFBDRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186569867 473691746 /nfs/dbraw/zinc/69/17/46/473691746.db2.gz ADLYMRGVTBSBBW-QAPCUYQASA-N 2 0 334.464 2.662 20 5 EFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000186575269 473692552 /nfs/dbraw/zinc/69/25/52/473692552.db2.gz ALXYCCXWTXEXGD-DLBZAZTESA-N 2 0 348.491 2.532 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186578312 473693299 /nfs/dbraw/zinc/69/32/99/473693299.db2.gz FRHBAXKXIBUOFA-CVEARBPZSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186578292 473693391 /nfs/dbraw/zinc/69/33/91/473693391.db2.gz FRHBAXKXIBUOFA-HZPDHXFCSA-N 2 0 334.464 2.580 20 5 EFBDRP Cc1c([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000186586865 473694565 /nfs/dbraw/zinc/69/45/65/473694565.db2.gz IOAAOVABZALSEF-ZBFHGGJFSA-N 2 0 334.464 2.580 20 5 EFBDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192665700 473703721 /nfs/dbraw/zinc/70/37/21/473703721.db2.gz RSDXQAQVJWSYMK-LJQANCHMSA-N 2 0 346.475 2.589 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000192851217 473738473 /nfs/dbraw/zinc/73/84/73/473738473.db2.gz ZUPJJXOYHYNHOE-MJGOQNOKSA-N 2 0 347.459 2.799 20 5 EFBDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000263739051 473829651 /nfs/dbraw/zinc/82/96/51/473829651.db2.gz NEAHHEQMGTVEJE-IYBDPMFKSA-N 2 0 347.459 2.916 20 5 EFBDRP O=[N+]([O-])c1ccc(OCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246990588 474028061 /nfs/dbraw/zinc/02/80/61/474028061.db2.gz WKABNAWQTFXHEA-KXBFYZLASA-N 2 0 345.443 2.922 20 5 EFBDRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000237503981 474418837 /nfs/dbraw/zinc/41/88/37/474418837.db2.gz SPGOIXBZRHKBGY-HZPDHXFCSA-N 2 0 335.448 2.882 20 5 EFBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000255294942 474828811 /nfs/dbraw/zinc/82/88/11/474828811.db2.gz FIUCOIORIZAYQW-HYXAFXHYSA-N 2 0 345.443 2.652 20 5 EFBDRP Cc1c(NC(=O)CC[N@H+](C)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000281219816 475122340 /nfs/dbraw/zinc/12/23/40/475122340.db2.gz DTMWFZFVKGNPLF-UHFFFAOYSA-N 2 0 348.447 2.650 20 5 EFBDRP C[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331723080 475391609 /nfs/dbraw/zinc/39/16/09/475391609.db2.gz KTQQMRNGYCKTEY-HZPDHXFCSA-N 2 0 335.452 2.597 20 5 EFBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347108434 476100534 /nfs/dbraw/zinc/10/05/34/476100534.db2.gz OKOZDTNIOUAFFP-KRWDZBQOSA-N 2 0 333.432 2.958 20 5 EFBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000350286503 476120110 /nfs/dbraw/zinc/12/01/10/476120110.db2.gz MWHSHPIGWBDABF-KRWDZBQOSA-N 2 0 335.448 2.836 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422632642 476723998 /nfs/dbraw/zinc/72/39/98/476723998.db2.gz HCSRRBKHEMRZEX-KFWWJZLASA-N 2 0 348.447 2.537 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422632643 476724371 /nfs/dbraw/zinc/72/43/71/476724371.db2.gz HCSRRBKHEMRZEX-KKUMJFAQSA-N 2 0 348.447 2.537 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641305 476727725 /nfs/dbraw/zinc/72/77/25/476727725.db2.gz XMWUEHWLYXGIGM-SNPRPXQTSA-N 2 0 348.447 2.537 20 5 EFBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422641303 476728357 /nfs/dbraw/zinc/72/83/57/476728357.db2.gz XMWUEHWLYXGIGM-CFVMTHIKSA-N 2 0 348.447 2.537 20 5 EFBDRP Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370635775 476907300 /nfs/dbraw/zinc/90/73/00/476907300.db2.gz PZQJMHSCQNFIJE-HZPDHXFCSA-N 2 0 346.475 2.722 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370637366 476909002 /nfs/dbraw/zinc/90/90/02/476909002.db2.gz URGGWKALYIMKCH-WBVHZDCISA-N 2 0 346.475 2.722 20 5 EFBDRP COCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000423404466 477021526 /nfs/dbraw/zinc/02/15/26/477021526.db2.gz IRDXAOUKRKDSMI-QGZVFWFLSA-N 2 0 333.432 2.578 20 5 EFBDRP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423460905 477038111 /nfs/dbraw/zinc/03/81/11/477038111.db2.gz BSIRZXZZPDBRHB-FRFSOERESA-N 2 0 343.431 2.525 20 5 EFBDRP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423460906 477038543 /nfs/dbraw/zinc/03/85/43/477038543.db2.gz BSIRZXZZPDBRHB-JLJPHGGASA-N 2 0 343.431 2.525 20 5 EFBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000411303090 477188400 /nfs/dbraw/zinc/18/84/00/477188400.db2.gz GHWXJFJSNHMOGQ-WMLDXEAASA-N 2 0 348.447 2.728 20 5 EFBDRP C[NH+]1CCC2(CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000367198474 477388100 /nfs/dbraw/zinc/38/81/00/477388100.db2.gz CDHIHACJOIAOEN-UHFFFAOYSA-N 2 0 333.432 2.781 20 5 EFBDRP Cc1cc(N2CC[NH2+]C(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420283064 477661670 /nfs/dbraw/zinc/66/16/70/477661670.db2.gz SQVBETPWJDOCEB-UHFFFAOYSA-N 2 0 327.388 2.548 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420379748 477734871 /nfs/dbraw/zinc/73/48/71/477734871.db2.gz NJZZDCQTBZKHDF-SKDZVZGDSA-N 2 0 333.432 2.874 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420397576 477747453 /nfs/dbraw/zinc/74/74/53/477747453.db2.gz XOADOEGWRCZYQI-SIIHOXLZSA-N 2 0 333.432 2.874 20 5 EFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459793847 478095154 /nfs/dbraw/zinc/09/51/54/478095154.db2.gz TZODWUBLCCPIBD-LSDHHAIUSA-N 2 0 348.447 2.633 20 5 EFBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000562988285 478404576 /nfs/dbraw/zinc/40/45/76/478404576.db2.gz XLRUHKLADOHOLR-HNNXBMFYSA-N 2 0 348.447 2.633 20 5 EFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282688 478508899 /nfs/dbraw/zinc/50/88/99/478508899.db2.gz QEWLDJURWXBRBD-HIFRSBDPSA-N 2 0 346.431 2.576 20 5 EFBDRP C[N@H+](CCOCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000600775177 478514647 /nfs/dbraw/zinc/51/46/47/478514647.db2.gz LNCPRYKLPFDLOV-UHFFFAOYSA-N 2 0 335.429 2.730 20 5 EFBDRP COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1O ZINC000595000075 478623361 /nfs/dbraw/zinc/62/33/61/478623361.db2.gz BQZCCIXTEPPVRX-UHFFFAOYSA-N 2 0 349.431 2.521 20 5 EFBDRP CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592427600 478892369 /nfs/dbraw/zinc/89/23/69/478892369.db2.gz HAFXTAZYPAISMA-GUYCJALGSA-N 2 0 343.431 2.555 20 5 EFBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492574 478913058 /nfs/dbraw/zinc/91/30/58/478913058.db2.gz AVDHZQCHPPGFNA-LSDHHAIUSA-N 2 0 333.432 2.815 20 5 EFBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901307 479060300 /nfs/dbraw/zinc/06/03/00/479060300.db2.gz VDRCRUVMODIDFJ-OAHLLOKOSA-N 2 0 333.432 2.815 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595904281 479062137 /nfs/dbraw/zinc/06/21/37/479062137.db2.gz CCQOJOHXVGXYKV-RHSMWYFYSA-N 2 0 348.447 2.681 20 5 EFBDRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595904629 479063540 /nfs/dbraw/zinc/06/35/40/479063540.db2.gz JFVLKMGVYDGSEL-RHSMWYFYSA-N 2 0 348.447 2.763 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000610798682 479192201 /nfs/dbraw/zinc/19/22/01/479192201.db2.gz OHOYRKMPAFZYNC-HNNXBMFYSA-N 2 0 334.464 2.580 20 5 EFBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314699 479289942 /nfs/dbraw/zinc/28/99/42/479289942.db2.gz FYNMSUIBBRAYKV-QRCIEHSWSA-N 2 0 345.443 2.826 20 5 EFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2CCCCCC2)n1 ZINC000618562104 479492828 /nfs/dbraw/zinc/49/28/28/479492828.db2.gz YXZQLYHTPWETKN-CVEARBPZSA-N 2 0 335.452 2.741 20 5 EFBDRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000618565407 479494331 /nfs/dbraw/zinc/49/43/31/479494331.db2.gz XPSUZHHWYZCZCO-IXDOHACOSA-N 2 0 349.479 2.987 20 5 EFBDRP O=[N+]([O-])c1cc(F)ccc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846293 479589948 /nfs/dbraw/zinc/58/99/48/479589948.db2.gz FDPXJGBKBKNQBJ-UHFFFAOYSA-N 2 0 330.363 2.841 20 5 EFBDRP COc1ccc([N+](=O)[O-])cc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845951 479590532 /nfs/dbraw/zinc/59/05/32/479590532.db2.gz NRWYSEKYOLZANR-UHFFFAOYSA-N 2 0 342.399 2.711 20 5 EFBDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173900644 527836485 /nfs/dbraw/zinc/83/64/85/527836485.db2.gz UGCUQIDYNQQUSP-OAHLLOKOSA-N 2 0 348.447 2.505 20 5 EFBDRP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000132351542 528464830 /nfs/dbraw/zinc/46/48/30/528464830.db2.gz DJJLJIWLMYIKRH-CRAIPNDOSA-N 2 0 334.464 2.517 20 5 EFBDRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000430582240 535458727 /nfs/dbraw/zinc/45/87/27/535458727.db2.gz JZWVBVQZLVHCFD-UHFFFAOYSA-N 2 0 348.447 2.553 20 5 EFBDRP CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435613633 535705416 /nfs/dbraw/zinc/70/54/16/535705416.db2.gz BRVYDHLKLKOVRO-HNNXBMFYSA-N 2 0 348.447 2.696 20 5 EFBDRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000435393137 536896168 /nfs/dbraw/zinc/89/61/68/536896168.db2.gz ZFAUHVXONWWJTI-GFCCVEGCSA-N 2 0 331.372 2.644 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000765040645 576539521 /nfs/dbraw/zinc/53/95/21/576539521.db2.gz XDJBDPMDUKZKPW-VQIMIIECSA-N 2 0 344.459 2.780 20 5 EFBDRP C[NH+](C)CC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132179159 1264362528 /nfs/dbraw/zinc/36/25/28/1264362528.db2.gz DMQJBDFRLDDSDK-UHFFFAOYSA-N 2 0 334.464 2.741 20 5 EFBDRP C[NH+](C)CCOc1cc(NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC001168769066 1266887926 /nfs/dbraw/zinc/88/79/26/1266887926.db2.gz LQYOKLFOAOQERX-UHFFFAOYSA-N 2 0 338.452 2.535 20 5 EFBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168998315 1272575398 /nfs/dbraw/zinc/57/53/98/1272575398.db2.gz LFTHXZQWGRYURE-AHCXZYCDSA-N 2 0 332.448 2.599 20 5 EFBDRP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039217 1272607576 /nfs/dbraw/zinc/60/75/76/1272607576.db2.gz OAJOVEZSFQMAEG-FHWLQOOXSA-N 2 0 331.460 2.886 20 5 EFBDRP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CC[C@H](C[N+](=O)[O-])C4)C[C@@H]3C2)cc1 ZINC001169025181 1272621672 /nfs/dbraw/zinc/62/16/72/1272621672.db2.gz XZKPMQQAQXJLLF-VNTMZGSJSA-N 2 0 343.471 2.804 20 5 EFBDRP CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169025755 1272621933 /nfs/dbraw/zinc/62/19/33/1272621933.db2.gz UTFUHWNZPNVFMJ-HRCADAONSA-N 2 0 349.479 2.545 20 5 EFBDRP CC(C)[N@H+](C)Cc1cnc2n1CCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]2C ZINC001169025757 1272622521 /nfs/dbraw/zinc/62/25/21/1272622521.db2.gz UTFUHWNZPNVFMJ-OWCLPIDISA-N 2 0 349.479 2.545 20 5 EFBDRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000817950726 1276395802 /nfs/dbraw/zinc/39/58/02/1276395802.db2.gz ZQFUJZVIMPCLNZ-DLBZAZTESA-N 2 0 343.431 2.566 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000817986447 1276425144 /nfs/dbraw/zinc/42/51/44/1276425144.db2.gz QACXWZVXMBYHSV-YQQAZPJKSA-N 2 0 344.459 2.541 20 5 EFBDRP CC[N@H+](C)C1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355033 1279033945 /nfs/dbraw/zinc/03/39/45/1279033945.db2.gz UZNHISSBSHPZSL-CQSZACIVSA-N 2 0 335.448 2.951 20 5 EFBDRP CC[N@H+](C)C1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170355032 1279034529 /nfs/dbraw/zinc/03/45/29/1279034529.db2.gz UZNHISSBSHPZSL-AWEZNQCLSA-N 2 0 335.448 2.951 20 5 EFBDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818960591 1276550500 /nfs/dbraw/zinc/55/05/00/1276550500.db2.gz HPVQZKADMKYFMC-JTDSTZFVSA-N 2 0 349.475 2.976 20 5 EFBDRP COc1ccc(C[C@H](C)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170344396 1279049110 /nfs/dbraw/zinc/04/91/10/1279049110.db2.gz BQCKDBIJURBZSL-HNNXBMFYSA-N 2 0 335.448 2.952 20 5 EFBDRP CC[NH+](CC)CCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175081 1286451404 /nfs/dbraw/zinc/45/14/04/1286451404.db2.gz KDDVDJOQPZTCLR-ZDUSSCGKSA-N 2 0 341.427 2.995 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCC[NH+](C)C)c1F ZINC001173175309 1286451505 /nfs/dbraw/zinc/45/15/05/1286451505.db2.gz MXFQWJAIIGFOMD-LBPRGKRZSA-N 2 0 327.400 2.605 20 5 EFBDRP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873289955 1289704574 /nfs/dbraw/zinc/70/45/74/1289704574.db2.gz MUTIWSWRUKJUFN-GDBMZVCRSA-N 2 0 333.432 2.713 20 5 EFBDRP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873289134 1289705047 /nfs/dbraw/zinc/70/50/47/1289705047.db2.gz FQJYTWUEIRPIDD-IRXDYDNUSA-N 2 0 333.432 2.794 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000873293666 1289709018 /nfs/dbraw/zinc/70/90/18/1289709018.db2.gz OVDJNUZKPVJCDT-SJLPKXTDSA-N 2 0 345.443 2.721 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866589404 1303699458 /nfs/dbraw/zinc/69/94/58/1303699458.db2.gz CTJSFZNYGITGSO-INIZCTEOSA-N 2 0 346.475 2.676 20 5 EFBDRP Cc1cc(NCCC[NH2+]CCCC[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001162290536 1312081884 /nfs/dbraw/zinc/08/18/84/1312081884.db2.gz YZGWTBQLCRZONG-UHFFFAOYSA-N 2 0 331.420 2.582 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246091410 1314582266 /nfs/dbraw/zinc/58/22/66/1314582266.db2.gz ACXZNQFBRFSHGB-KDOFPFPSSA-N 2 0 335.448 2.904 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@@]2(C)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246103897 1314583542 /nfs/dbraw/zinc/58/35/42/1314583542.db2.gz UASVYQZZNWQSKN-KDOFPFPSSA-N 2 0 335.448 2.904 20 5 EFBDRP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246112523 1314584149 /nfs/dbraw/zinc/58/41/49/1314584149.db2.gz QNXOPBOWVJCKEB-GJZGRUSLSA-N 2 0 332.448 2.541 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CC[C@H]2C)c1F ZINC001246122605 1314585954 /nfs/dbraw/zinc/58/59/54/1314585954.db2.gz XTHMUTHNXDQCEK-FRRDWIJNSA-N 2 0 339.411 2.509 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2([NH3+])CCCCC2)c1F ZINC001246281057 1314605834 /nfs/dbraw/zinc/60/58/34/1314605834.db2.gz YWWNVVCIZMSWCT-LBPRGKRZSA-N 2 0 339.411 2.925 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246401488 1314624277 /nfs/dbraw/zinc/62/42/77/1314624277.db2.gz SYXXTTPZCNRIIJ-XUWXXGDYSA-N 2 0 335.423 2.901 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246404192 1314624303 /nfs/dbraw/zinc/62/43/03/1314624303.db2.gz IZVVTCMBBWBKSB-BVGQSLNGSA-N 2 0 335.423 2.901 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C1CCC1)C1C[NH2+]C1)CC2 ZINC001246519568 1314641590 /nfs/dbraw/zinc/64/15/90/1314641590.db2.gz SHLIKFMRCMOOJT-HKUYNNGSSA-N 2 0 329.444 2.820 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246580496 1314651740 /nfs/dbraw/zinc/65/17/40/1314651740.db2.gz WORSYZZTDZDKCZ-KSSFIOAISA-N 2 0 335.448 2.985 20 5 EFBDRP COc1ccc(C[C@@H](C)[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c([N+](=O)[O-])c1 ZINC001246971906 1314719947 /nfs/dbraw/zinc/71/99/47/1314719947.db2.gz IUBWDKLOAORFIY-HUUCEWRRSA-N 2 0 347.459 2.998 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)CC2 ZINC001247017140 1314731438 /nfs/dbraw/zinc/73/14/38/1314731438.db2.gz ZWEUVOGIUOTLTP-LMMKCTJWSA-N 2 0 329.444 2.916 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001254580521 1315727104 /nfs/dbraw/zinc/72/71/04/1315727104.db2.gz GFAMCFWAIYAYST-KRWDZBQOSA-N 2 0 338.411 2.716 20 5 EFBDRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584686 1315727400 /nfs/dbraw/zinc/72/74/00/1315727400.db2.gz IVORWZSFQJDVBK-MRXNPFEDSA-N 3 0 348.491 2.537 20 5 EFBDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC001322121988 1329430458 /nfs/dbraw/zinc/43/04/58/1329430458.db2.gz QVRNRLSJPHUWIU-OAGGEKHMSA-N 2 0 335.452 2.597 20 5 EFBDRP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000892950812 719322628 /nfs/dbraw/zinc/32/26/28/719322628.db2.gz HACLHJROIRXNDH-HNNXBMFYSA-N 2 0 341.839 2.575 20 5 EFBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158645141 530064658 /nfs/dbraw/zinc/06/46/58/530064658.db2.gz IQIABLLSYBDPSM-YJBOKZPZSA-N 2 0 333.432 2.780 20 5 EFBDRP Cc1c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000132478283 223334382 /nfs/dbraw/zinc/33/43/82/223334382.db2.gz ZEKKRNOLKNXTFF-LPHOPBHVSA-N 2 0 348.491 2.826 20 5 EFBDRP C[C@@H]([NH3+])[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377693 248231689 /nfs/dbraw/zinc/23/16/89/248231689.db2.gz FJFMWAVWRKWUBR-DGCLKSJQSA-N 2 0 332.429 2.887 20 5 EFBDRP C[C@H]([NH3+])[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435377694 248233037 /nfs/dbraw/zinc/23/30/37/248233037.db2.gz FJFMWAVWRKWUBR-WCQYABFASA-N 2 0 332.429 2.887 20 5 EFBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459793845 255934405 /nfs/dbraw/zinc/93/44/05/255934405.db2.gz TZODWUBLCCPIBD-HUUCEWRRSA-N 2 0 348.447 2.633 20 5 EFBDRP CC[NH+](CC)CCCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000182775336 141376058 /nfs/dbraw/zinc/37/60/58/141376058.db2.gz VYQLACCIOORSEZ-UHFFFAOYSA-N 2 0 337.468 2.625 20 5 EFBDRP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000344634263 142052600 /nfs/dbraw/zinc/05/26/00/142052600.db2.gz RYLGQJNBSMBOCD-CZUORRHYSA-N 2 0 343.431 2.568 20 5 EFBDRP CN(CC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000349062495 146045630 /nfs/dbraw/zinc/04/56/30/146045630.db2.gz MGVLGKARDYBASS-VURMDHGXSA-N 2 0 346.475 2.566 20 5 EFBDRP Cc1cc(N(CCC[NH+](C)C)CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000360069229 148264561 /nfs/dbraw/zinc/26/45/61/148264561.db2.gz CTSYRPWDQMITGV-UHFFFAOYSA-N 2 0 340.443 2.752 20 5 EFBDRP C[C@H]1C[N@H+](CCC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000277646462 267221172 /nfs/dbraw/zinc/22/11/72/267221172.db2.gz DIJIXXAEZJSSGB-YCOJEUHLSA-N 2 0 333.432 2.699 20 5 EFBDRP C[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000279139884 273181240 /nfs/dbraw/zinc/18/12/40/273181240.db2.gz RVSAWCGKKIOKPT-RDTXWAMCSA-N 2 0 346.475 2.543 20 5 EFBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000121243563 292941846 /nfs/dbraw/zinc/94/18/46/292941846.db2.gz GXGNYFWAQUUKCE-NVXWUHKLSA-N 2 0 348.491 2.827 20 5 EFBDRP Cn1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414974519 312069680 /nfs/dbraw/zinc/06/96/80/312069680.db2.gz NPYJDHZKQTXUIO-INIZCTEOSA-N 2 0 343.431 2.617 20 5 EFBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417300778 312205755 /nfs/dbraw/zinc/20/57/55/312205755.db2.gz AYURKIZIGCGUIP-KXBFYZLASA-N 2 0 346.475 2.588 20 5 EFBDRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417324120 312208844 /nfs/dbraw/zinc/20/88/44/312208844.db2.gz POOURSLGVIVNLD-GOSISDBHSA-N 2 0 335.448 2.920 20 5 EFBDRP C[NH+]1CCN(CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433167166 312596692 /nfs/dbraw/zinc/59/66/92/312596692.db2.gz ZRWPTYVKYQXXDF-SFHVURJKSA-N 2 0 346.475 2.544 20 5 EFBDRP CC1CC[NH+](CCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000554527192 318320895 /nfs/dbraw/zinc/32/08/95/318320895.db2.gz AFKJXDFTWZVEIS-UHFFFAOYSA-N 2 0 348.447 2.635 20 5 EFBDRP CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000556684241 318398520 /nfs/dbraw/zinc/39/85/20/318398520.db2.gz XHVYALZEMWYPHT-JKSUJKDBSA-N 2 0 335.452 2.597 20 5 EFBDRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000570632976 319496121 /nfs/dbraw/zinc/49/61/21/319496121.db2.gz OQZWZSBUORSPOK-HOTGVXAUSA-N 2 0 329.404 2.524 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124438863 473245465 /nfs/dbraw/zinc/24/54/65/473245465.db2.gz IICBNELGUAJJLA-MRXNPFEDSA-N 2 0 348.491 2.827 20 5 EFBDRP Cc1c([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000128402796 472445403 /nfs/dbraw/zinc/44/54/03/472445403.db2.gz QLSKFOAGXLMPMA-INIZCTEOSA-N 2 0 334.464 2.581 20 5 EFBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128698928 472485432 /nfs/dbraw/zinc/48/54/32/472485432.db2.gz KARGJHWNMKXGAU-QGZVFWFLSA-N 2 0 348.491 2.533 20 5 EFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000155632526 472584133 /nfs/dbraw/zinc/58/41/33/472584133.db2.gz AFTKQVLWXCRGPQ-HOTGVXAUSA-N 2 0 334.464 2.580 20 5 EFBDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000158971998 472986002 /nfs/dbraw/zinc/98/60/02/472986002.db2.gz KBBBXTFJUKQASM-MRXNPFEDSA-N 2 0 349.479 2.768 20 5 EFBDRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186569850 473691585 /nfs/dbraw/zinc/69/15/85/473691585.db2.gz ADLYMRGVTBSBBW-MAUKXSAKSA-N 2 0 334.464 2.662 20 5 EFBDRP Cc1c([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000186586829 473694487 /nfs/dbraw/zinc/69/44/87/473694487.db2.gz IOAAOVABZALSEF-HOCLYGCPSA-N 2 0 334.464 2.580 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173319404 473805169 /nfs/dbraw/zinc/80/51/69/473805169.db2.gz YREZDGCIUVABMO-MRXNPFEDSA-N 2 0 334.464 2.663 20 5 EFBDRP Cc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000237668070 474454533 /nfs/dbraw/zinc/45/45/33/474454533.db2.gz SPGOIXBZRHKBGY-HOTGVXAUSA-N 2 0 335.448 2.882 20 5 EFBDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000273103569 474716635 /nfs/dbraw/zinc/71/66/35/474716635.db2.gz PCSCRFHMHJJJNA-UHFFFAOYSA-N 2 0 341.839 2.573 20 5 EFBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000269082479 475167026 /nfs/dbraw/zinc/16/70/26/475167026.db2.gz OURIOILSGFOJAO-ZWKOTPCHSA-N 2 0 349.475 2.862 20 5 EFBDRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352503148 475359356 /nfs/dbraw/zinc/35/93/56/475359356.db2.gz CCUGYEIQAKDRBX-OAHLLOKOSA-N 2 0 344.415 2.996 20 5 EFBDRP CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352607969 475455362 /nfs/dbraw/zinc/45/53/62/475455362.db2.gz CEJWGMVJAOIVCF-MRXNPFEDSA-N 2 0 339.411 2.667 20 5 EFBDRP CC(C)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000349316759 475945310 /nfs/dbraw/zinc/94/53/10/475945310.db2.gz OLNATBQUDMKWNN-UHFFFAOYSA-N 2 0 348.491 2.788 20 5 EFBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000350162102 476075478 /nfs/dbraw/zinc/07/54/78/476075478.db2.gz ZANRHTOOXGRGNC-SFHVURJKSA-N 2 0 335.448 2.570 20 5 EFBDRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000347108101 476098401 /nfs/dbraw/zinc/09/84/01/476098401.db2.gz OXFGMZJGXGOUNX-HNNXBMFYSA-N 2 0 349.431 2.576 20 5 EFBDRP CC[N@H+](CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)CC1CC1 ZINC000357074129 476208551 /nfs/dbraw/zinc/20/85/51/476208551.db2.gz FVSNNNZWMIQNDC-UHFFFAOYSA-N 2 0 349.479 2.625 20 5 EFBDRP COc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1[N+](=O)[O-] ZINC000422949325 476860748 /nfs/dbraw/zinc/86/07/48/476860748.db2.gz VABSCDAPZKRCMJ-NSHDSACASA-N 2 0 330.388 2.616 20 5 EFBDRP CC(C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000447591909 477019896 /nfs/dbraw/zinc/01/98/96/477019896.db2.gz GCDAUNURHOWSSP-HOTGVXAUSA-N 2 0 349.479 2.987 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CC1 ZINC000423442202 477035051 /nfs/dbraw/zinc/03/50/51/477035051.db2.gz PQDMPYGENVBIIC-OKZBNKHCSA-N 2 0 329.444 2.894 20 5 EFBDRP C[N@H+](CCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000453388577 477220027 /nfs/dbraw/zinc/22/00/27/477220027.db2.gz BOHWEWOOKZPLQM-HZPDHXFCSA-N 2 0 335.452 2.739 20 5 EFBDRP COc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000366949869 477272355 /nfs/dbraw/zinc/27/23/55/477272355.db2.gz DONMGIWEWUITDD-UHFFFAOYSA-N 2 0 333.432 2.911 20 5 EFBDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449077150 477424803 /nfs/dbraw/zinc/42/48/03/477424803.db2.gz JIMFRCWASQKKRY-KRWDZBQOSA-N 2 0 348.491 2.533 20 5 EFBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449159556 477462711 /nfs/dbraw/zinc/46/27/11/477462711.db2.gz HHJMAGLFXXHZAQ-HOTGVXAUSA-N 2 0 347.459 2.616 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420397570 477747485 /nfs/dbraw/zinc/74/74/85/477747485.db2.gz XOADOEGWRCZYQI-DDUZABMNSA-N 2 0 333.432 2.874 20 5 EFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282687 478508839 /nfs/dbraw/zinc/50/88/39/478508839.db2.gz QEWLDJURWXBRBD-DZGCQCFKSA-N 2 0 346.431 2.576 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582253 478585544 /nfs/dbraw/zinc/58/55/44/478585544.db2.gz AKQRRKBWNPLELG-ZFWWWQNUSA-N 2 0 346.431 2.576 20 5 EFBDRP O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1cnccc1-n1ccnc1 ZINC000491862856 478712656 /nfs/dbraw/zinc/71/26/56/478712656.db2.gz XLTYLWBQMXYOFU-WAYWQWQTSA-N 2 0 335.323 2.827 20 5 EFBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492618 478913468 /nfs/dbraw/zinc/91/34/68/478913468.db2.gz BWSAPWHULHNEOI-HOTGVXAUSA-N 2 0 333.432 2.685 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592493393 478913753 /nfs/dbraw/zinc/91/37/53/478913753.db2.gz OIYGJVUSXNNJJU-HOTGVXAUSA-N 2 0 333.432 2.685 20 5 EFBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595904757 479062594 /nfs/dbraw/zinc/06/25/94/479062594.db2.gz KNVRYEBJOSEZIE-UKRRQHHQSA-N 2 0 348.447 2.681 20 5 EFBDRP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000602024047 479144592 /nfs/dbraw/zinc/14/45/92/479144592.db2.gz ZMXQKCOWCNRKII-FRFSOERESA-N 2 0 343.431 2.525 20 5 EFBDRP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593315934 479289713 /nfs/dbraw/zinc/28/97/13/479289713.db2.gz MQTUESYXOCPDKU-BQFCYCMXSA-N 2 0 333.432 2.622 20 5 EFBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314698 479290313 /nfs/dbraw/zinc/29/03/13/479290313.db2.gz FYNMSUIBBRAYKV-HYRABZNWSA-N 2 0 345.443 2.826 20 5 EFBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736221 479438925 /nfs/dbraw/zinc/43/89/25/479438925.db2.gz JRZPYWFBEDSURK-LLDVTBCESA-N 2 0 333.432 2.874 20 5 EFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000618565248 479493874 /nfs/dbraw/zinc/49/38/74/479493874.db2.gz JXPVWIVQKMCMKU-SJORKVTESA-N 2 0 347.463 2.739 20 5 EFBDRP O=[N+]([O-])c1sccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000604524809 479533547 /nfs/dbraw/zinc/53/35/47/479533547.db2.gz FSPVSJXJOHQWCY-UHFFFAOYSA-N 2 0 347.444 2.676 20 5 EFBDRP CCCC[N@H+](C)CC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602768181 479538553 /nfs/dbraw/zinc/53/85/53/479538553.db2.gz XEPKIXYWPXPDSX-UHFFFAOYSA-N 2 0 337.468 2.544 20 5 EFBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000344830494 535730000 /nfs/dbraw/zinc/73/00/00/535730000.db2.gz CTKYQZFOZVCNAS-WBILKINKSA-N 2 0 346.475 2.614 20 5 EFBDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000414190743 536385327 /nfs/dbraw/zinc/38/53/27/536385327.db2.gz RMXZAWORKKJXIR-PMPSAXMXSA-N 2 0 335.452 2.597 20 5 EFBDRP C[NH+]1CCC([C@H]2CC[N@H+](Cn3ncc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000755779057 575632532 /nfs/dbraw/zinc/63/25/32/575632532.db2.gz PZMMPPBRWUZSCT-HNNXBMFYSA-N 2 0 343.431 2.566 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001168968166 1272559436 /nfs/dbraw/zinc/55/94/36/1272559436.db2.gz XEQHIDMICOIQKQ-LCWAXJCOSA-N 2 0 343.471 2.932 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170297714 1278981199 /nfs/dbraw/zinc/98/11/99/1278981199.db2.gz QUKNRVZLYHSNPF-HUUCEWRRSA-N 2 0 335.448 2.856 20 5 EFBDRP CC1(C)C[C@H](NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788577481 1276230549 /nfs/dbraw/zinc/23/05/49/1276230549.db2.gz ONGBNKINZAYTTL-DAYGRLMNSA-N 2 0 345.443 2.770 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000817986444 1276425531 /nfs/dbraw/zinc/42/55/31/1276425531.db2.gz QACXWZVXMBYHSV-BFYDXBDKSA-N 2 0 344.459 2.541 20 5 EFBDRP CC[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170309266 1279031579 /nfs/dbraw/zinc/03/15/79/1279031579.db2.gz PWNIAOAWPJYXCE-CQSZACIVSA-N 2 0 335.448 2.856 20 5 EFBDRP COc1ccc(C[C@@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC001170353456 1279034710 /nfs/dbraw/zinc/03/47/10/1279034710.db2.gz YJWZSFRTMODVKR-RDTXWAMCSA-N 2 0 333.432 2.562 20 5 EFBDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818960592 1276550144 /nfs/dbraw/zinc/55/01/44/1276550144.db2.gz HPVQZKADMKYFMC-MDZRGWNJSA-N 2 0 349.475 2.976 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1F ZINC001173176154 1286452275 /nfs/dbraw/zinc/45/22/75/1286452275.db2.gz YZBYZUJCZSTEBC-LBPRGKRZSA-N 2 0 339.411 2.605 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)c1F ZINC001173183831 1286456504 /nfs/dbraw/zinc/45/65/04/1286456504.db2.gz NXZBJOAZSRUNCI-CHWSQXEVSA-N 2 0 339.411 2.747 20 5 EFBDRP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000873289956 1289705107 /nfs/dbraw/zinc/70/51/07/1289705107.db2.gz MUTIWSWRUKJUFN-GOEBONIOSA-N 2 0 333.432 2.713 20 5 EFBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292708 1289707676 /nfs/dbraw/zinc/70/76/76/1289707676.db2.gz VAKADUWIPQNUDA-RDJZCZTQSA-N 2 0 347.459 2.664 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000876576241 1290945616 /nfs/dbraw/zinc/94/56/16/1290945616.db2.gz GLYJFEYUDOVPIV-UHFFFAOYSA-N 2 0 347.459 2.756 20 5 EFBDRP O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)c1 ZINC000903752369 1313164042 /nfs/dbraw/zinc/16/40/42/1313164042.db2.gz NFVFGIOZNHPLBQ-SFHVURJKSA-N 2 0 345.443 2.718 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000902484322 1311786343 /nfs/dbraw/zinc/78/63/43/1311786343.db2.gz VOHMPLKOVNBHEM-INIZCTEOSA-N 2 0 332.448 2.685 20 5 EFBDRP O=[N+]([O-])c1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903119662 1312373819 /nfs/dbraw/zinc/37/38/19/1312373819.db2.gz MDWCSAAMDPKKJI-FUCXHRTASA-N 2 0 331.416 2.721 20 5 EFBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001246107338 1314583136 /nfs/dbraw/zinc/58/31/36/1314583136.db2.gz HOFSTCGFWMEDNS-CQSZACIVSA-N 2 0 325.412 2.961 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001246113581 1314584615 /nfs/dbraw/zinc/58/46/15/1314584615.db2.gz UCWVICIWSJFLDR-DZKIICNBSA-N 2 0 335.448 2.760 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246401484 1314624315 /nfs/dbraw/zinc/62/43/15/1314624315.db2.gz SYXXTTPZCNRIIJ-SIIHOXLZSA-N 2 0 335.423 2.901 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](C1CCC1)C1C[NH2+]C1)CC2 ZINC001246519577 1314641743 /nfs/dbraw/zinc/64/17/43/1314641743.db2.gz SHLIKFMRCMOOJT-PKOBYXMFSA-N 2 0 329.444 2.820 20 5 EFBDRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246557962 1314647802 /nfs/dbraw/zinc/64/78/02/1314647802.db2.gz LZOGWASNRSPCIK-FUHWJXTLSA-N 2 0 335.423 2.995 20 5 EFBDRP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001246558440 1314648150 /nfs/dbraw/zinc/64/81/50/1314648150.db2.gz QDUNHOLCODDJBW-GJZGRUSLSA-N 2 0 339.386 2.758 20 5 EFBDRP COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246564059 1314648735 /nfs/dbraw/zinc/64/87/35/1314648735.db2.gz YSILMZXWPOEOCZ-YCPHGPKFSA-N 2 0 335.448 2.841 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC([C@H]3CCCC[NH2+]3)CC1)C2 ZINC001246656884 1314665162 /nfs/dbraw/zinc/66/51/62/1314665162.db2.gz OOGKQPBDAOYNIU-RBUKOAKNSA-N 2 0 329.444 2.916 20 5 EFBDRP C[NH+](C)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254476624 1315707913 /nfs/dbraw/zinc/70/79/13/1315707913.db2.gz UKLBYDMNGNNWRC-UHFFFAOYSA-N 2 0 332.448 2.590 20 5 EFBDRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572507 1315725900 /nfs/dbraw/zinc/72/59/00/1315725900.db2.gz PDWLSBGIZQBGMY-SFHVURJKSA-N 2 0 325.412 2.913 20 5 EFBDRP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254584685 1315727611 /nfs/dbraw/zinc/72/76/11/1315727611.db2.gz IVORWZSFQJDVBK-INIZCTEOSA-N 3 0 348.491 2.537 20 5 EFBDRP CC(C)(C)[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001335398441 1331343149 /nfs/dbraw/zinc/34/31/49/1331343149.db2.gz PNIYRDCUZNUXRK-CQSZACIVSA-N 2 0 348.447 2.633 20 5 EFBDRP C[N@H+](CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000310571049 717881535 /nfs/dbraw/zinc/88/15/35/717881535.db2.gz QQKLHCQNEHOLHD-IBGZPJMESA-N 2 0 343.427 2.740 20 5 EFBDRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000893065774 719559063 /nfs/dbraw/zinc/55/90/63/719559063.db2.gz BVDHLBNZVODMGD-UHFFFAOYSA-N 2 0 337.420 2.521 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001574981060 1088185645 /nfs/dbraw/zinc/18/56/45/1088185645.db2.gz ZGTQTIQGPSJSMT-DWCFMXGVSA-N 2 0 345.443 2.828 20 5 EFBDRP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+]C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[NH2+]2 ZINC001576588110 1089339987 /nfs/dbraw/zinc/33/99/87/1089339987.db2.gz PXDYMEDQSCUJLQ-JOQQVMPUSA-N 2 0 344.459 2.682 20 5 EFBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC001579735114 1090674285 /nfs/dbraw/zinc/67/42/85/1090674285.db2.gz XUWZWCMCHDQQBC-QFBILLFUSA-N 2 0 347.459 2.930 20 5 EFBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)o2)cc1 ZINC000904420617 1107934410 /nfs/dbraw/zinc/93/44/10/1107934410.db2.gz BJQNXEVNRFCNNX-LSDHHAIUSA-N 2 0 327.384 2.896 20 5 EFBDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072858437 216318753 /nfs/dbraw/zinc/31/87/53/216318753.db2.gz FRIXVBNZDPLJCE-HNNXBMFYSA-N 2 0 348.447 2.505 20 5 EFBDRP Cc1c([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000132478686 223334470 /nfs/dbraw/zinc/33/44/70/223334470.db2.gz ZEKKRNOLKNXTFF-QFBILLFUSA-N 2 0 348.491 2.826 20 5 EFBDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435384723 248234368 /nfs/dbraw/zinc/23/43/68/248234368.db2.gz NXFIIXUUBJNNDT-ZFWWWQNUSA-N 2 0 343.431 2.555 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000447567693 285168533 /nfs/dbraw/zinc/16/85/33/285168533.db2.gz DHGOBEFMGDTFGJ-IAGOWNOFSA-N 2 0 347.463 2.739 20 5 EFBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349293633 533381644 /nfs/dbraw/zinc/38/16/44/533381644.db2.gz GALINWGKZHGSQU-VKAVYKQESA-N 2 0 346.475 2.567 20 5 EFBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000344091499 145365985 /nfs/dbraw/zinc/36/59/85/145365985.db2.gz NMZPIYZILKUQMX-SJLPKXTDSA-N 2 0 349.475 2.864 20 5 EFBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000349268401 146072935 /nfs/dbraw/zinc/07/29/35/146072935.db2.gz PXHVZAWTDWPHMX-UHFFFAOYSA-N 2 0 342.871 2.958 20 5 EFBDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192931284 273792218 /nfs/dbraw/zinc/79/22/18/273792218.db2.gz LNKKISVXINQPCG-IBGZPJMESA-N 2 0 346.475 2.588 20 5 EFBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193301478 274476929 /nfs/dbraw/zinc/47/69/29/274476929.db2.gz AROUTWFSKHWUMZ-DNVCBOLYSA-N 2 0 346.475 2.588 20 5 EFBDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000268977103 275941398 /nfs/dbraw/zinc/94/13/98/275941398.db2.gz BGKGXQFVRFUEHW-MRXNPFEDSA-N 2 0 349.475 2.741 20 5 EFBDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)CC1 ZINC000245535415 276201590 /nfs/dbraw/zinc/20/15/90/276201590.db2.gz WPUMLRQKTOHLLY-AEFFLSMTSA-N 2 0 346.475 2.676 20 5 EFBDRP COCC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]CC1 ZINC000423404513 277199774 /nfs/dbraw/zinc/19/97/74/277199774.db2.gz IUXAHXKEBDYANB-QGZVFWFLSA-N 2 0 347.459 2.522 20 5 EFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)n1 ZINC000447514588 304811866 /nfs/dbraw/zinc/81/18/66/304811866.db2.gz GHPYHBYVVPRJJB-CVEARBPZSA-N 2 0 335.452 2.741 20 5 EFBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417300774 312205885 /nfs/dbraw/zinc/20/58/85/312205885.db2.gz AYURKIZIGCGUIP-DNVCBOLYSA-N 2 0 346.475 2.588 20 5 EFBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417300776 312205889 /nfs/dbraw/zinc/20/58/89/312205889.db2.gz AYURKIZIGCGUIP-HNAYVOBHSA-N 2 0 346.475 2.588 20 5 EFBDRP CSC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC[NH+](C)CC1 ZINC000566747333 319107336 /nfs/dbraw/zinc/10/73/36/319107336.db2.gz FXHABEYALCLPRN-OAHLLOKOSA-N 2 0 335.473 2.999 20 5 EFBDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000081568911 473222029 /nfs/dbraw/zinc/22/20/29/473222029.db2.gz CKYVNRGHZZJYLM-HNNXBMFYSA-N 2 0 348.447 2.587 20 5 EFBDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081572930 473223254 /nfs/dbraw/zinc/22/32/54/473223254.db2.gz UPAWOOLXKILRLG-HNNXBMFYSA-N 2 0 348.447 2.587 20 5 EFBDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000081572932 473223585 /nfs/dbraw/zinc/22/35/85/473223585.db2.gz UPAWOOLXKILRLG-OAHLLOKOSA-N 2 0 348.447 2.587 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000150974563 473390530 /nfs/dbraw/zinc/39/05/30/473390530.db2.gz IYLLEFPXHHLLKK-OAHLLOKOSA-N 2 0 334.464 2.580 20 5 EFBDRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155668613 472591468 /nfs/dbraw/zinc/59/14/68/472591468.db2.gz VIKFPIXMPRQGOI-QAPCUYQASA-N 2 0 334.464 2.662 20 5 EFBDRP CCC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120418068 472684827 /nfs/dbraw/zinc/68/48/27/472684827.db2.gz WGPYOJIWTISYLS-GOSISDBHSA-N 2 0 334.464 2.663 20 5 EFBDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000158972161 472986450 /nfs/dbraw/zinc/98/64/50/472986450.db2.gz KBBBXTFJUKQASM-INIZCTEOSA-N 2 0 349.479 2.768 20 5 EFBDRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186569889 473691470 /nfs/dbraw/zinc/69/14/70/473691470.db2.gz ADLYMRGVTBSBBW-CRAIPNDOSA-N 2 0 334.464 2.662 20 5 EFBDRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186569831 473691761 /nfs/dbraw/zinc/69/17/61/473691761.db2.gz ADLYMRGVTBSBBW-YJBOKZPZSA-N 2 0 334.464 2.662 20 5 EFBDRP Cc1c([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000186586805 473694603 /nfs/dbraw/zinc/69/46/03/473694603.db2.gz IOAAOVABZALSEF-GOEBONIOSA-N 2 0 334.464 2.580 20 5 EFBDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192832793 473733553 /nfs/dbraw/zinc/73/35/53/473733553.db2.gz JQTWYYFASBUYDP-LJQANCHMSA-N 2 0 346.475 2.589 20 5 EFBDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000282287101 474009446 /nfs/dbraw/zinc/00/94/46/474009446.db2.gz LKWRPMDYSMNCJV-SFHVURJKSA-N 2 0 346.475 2.588 20 5 EFBDRP COc1cc(C[NH2+]CCCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1O ZINC000292892951 474700942 /nfs/dbraw/zinc/70/09/42/474700942.db2.gz DASGWSWVQMOHLJ-UHFFFAOYSA-N 2 0 337.420 2.665 20 5 EFBDRP CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000353210451 475772588 /nfs/dbraw/zinc/77/25/88/475772588.db2.gz LZQKWWZODAYLNN-UHFFFAOYSA-N 2 0 327.425 2.651 20 5 EFBDRP C[NH+](C)CCOC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353524224 476045847 /nfs/dbraw/zinc/04/58/47/476045847.db2.gz CLFMFXSZNVEHQJ-ALCCZGGFSA-N 2 0 333.432 2.651 20 5 EFBDRP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000374676204 476495843 /nfs/dbraw/zinc/49/58/43/476495843.db2.gz GMIFTNJDCKALSU-UONOGXRCSA-N 2 0 326.400 2.912 20 5 EFBDRP C[C@@](C[NH3+])([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000430561180 476859470 /nfs/dbraw/zinc/85/94/70/476859470.db2.gz JZXDXPKMRJPRMT-KRWDZBQOSA-N 2 0 330.388 2.509 20 5 EFBDRP Cc1c(NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430586336 476870878 /nfs/dbraw/zinc/87/08/78/476870878.db2.gz VZODTGLPOIBRTC-AWEZNQCLSA-N 2 0 336.436 2.537 20 5 EFBDRP C[NH2+]C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430626728 476883737 /nfs/dbraw/zinc/88/37/37/476883737.db2.gz MBUYAHOBFJSOOA-CQSZACIVSA-N 2 0 344.415 2.724 20 5 EFBDRP CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000431077348 476973235 /nfs/dbraw/zinc/97/32/35/476973235.db2.gz NXAPPPLXYMTORA-UHFFFAOYSA-N 2 0 348.447 2.696 20 5 EFBDRP CC1CC[NH+](CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447518593 477001696 /nfs/dbraw/zinc/00/16/96/477001696.db2.gz OCBILSNGIVTKRB-DLBZAZTESA-N 2 0 349.479 2.987 20 5 EFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)n1 ZINC000423369589 477008942 /nfs/dbraw/zinc/00/89/42/477008942.db2.gz FEXRHICNISKNIA-IRXDYDNUSA-N 2 0 341.415 2.668 20 5 EFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]C3)n1 ZINC000423369602 477009229 /nfs/dbraw/zinc/00/92/29/477009229.db2.gz FEXRHICNISKNIA-SJORKVTESA-N 2 0 341.415 2.668 20 5 EFBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CC[NH+](C3CC3)CC2)n1 ZINC000447567694 477013243 /nfs/dbraw/zinc/01/32/43/477013243.db2.gz DHGOBEFMGDTFGJ-IRXDYDNUSA-N 2 0 347.463 2.739 20 5 EFBDRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375892989 477066075 /nfs/dbraw/zinc/06/60/75/477066075.db2.gz WSPWVNSMMUYCFA-LPHOPBHVSA-N 2 0 346.475 2.756 20 5 EFBDRP CCc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420239536 477646115 /nfs/dbraw/zinc/64/61/15/477646115.db2.gz PKWWBPBPXRQYNL-UKRRQHHQSA-N 2 0 341.415 2.718 20 5 EFBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420297835 477672104 /nfs/dbraw/zinc/67/21/04/477672104.db2.gz GHIPTBHHWGHRBD-OAHLLOKOSA-N 2 0 333.432 2.828 20 5 EFBDRP [NH3+]CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000420309724 477682621 /nfs/dbraw/zinc/68/26/21/477682621.db2.gz FIDFZHDNNDXSSO-UHFFFAOYSA-N 2 0 348.447 2.764 20 5 EFBDRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000420378009 477732391 /nfs/dbraw/zinc/73/23/91/477732391.db2.gz UAOVQBOEURPGHJ-QGZVFWFLSA-N 2 0 343.427 2.820 20 5 EFBDRP C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000420406787 477752689 /nfs/dbraw/zinc/75/26/89/477752689.db2.gz OABOVRRSVCXSBF-ZFWWWQNUSA-N 2 0 344.415 2.709 20 5 EFBDRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000421380277 478063176 /nfs/dbraw/zinc/06/31/76/478063176.db2.gz YDYWYFDNGGIUKG-UHFFFAOYSA-N 2 0 337.420 2.574 20 5 EFBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421377557 478063728 /nfs/dbraw/zinc/06/37/28/478063728.db2.gz SWLDTVIFIUSOHZ-HLIUYOAVSA-N 2 0 348.447 2.774 20 5 EFBDRP O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)cs2)c1 ZINC000591281656 478509435 /nfs/dbraw/zinc/50/94/35/478509435.db2.gz IWVFCSCRCZNWBI-OAHLLOKOSA-N 2 0 344.440 2.950 20 5 EFBDRP CC[NH+]1CCC(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000582236938 478545872 /nfs/dbraw/zinc/54/58/72/478545872.db2.gz UHKQCSNFIBPZMZ-UHFFFAOYSA-N 2 0 348.447 2.635 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582251 478586097 /nfs/dbraw/zinc/58/60/97/478586097.db2.gz AKQRRKBWNPLELG-HIFRSBDPSA-N 2 0 346.431 2.576 20 5 EFBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000591582599 478587448 /nfs/dbraw/zinc/58/74/48/478587448.db2.gz NDJLWQTVQDLPRT-RRFJBIMHSA-N 2 0 333.436 2.539 20 5 EFBDRP O=[N+]([O-])c1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000594970302 478612141 /nfs/dbraw/zinc/61/21/41/478612141.db2.gz XPZCXCJFVIOBHU-UHFFFAOYSA-N 2 0 340.427 2.992 20 5 EFBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564989382 478876523 /nfs/dbraw/zinc/87/65/23/478876523.db2.gz XWKUSQYPNNWSNF-CYBMUJFWSA-N 2 0 342.399 2.560 20 5 EFBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000564989385 478876732 /nfs/dbraw/zinc/87/67/32/478876732.db2.gz XWKUSQYPNNWSNF-ZDUSSCGKSA-N 2 0 342.399 2.560 20 5 EFBDRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592433575 478893388 /nfs/dbraw/zinc/89/33/88/478893388.db2.gz DJQIEAAWQKRBKY-HOTGVXAUSA-N 2 0 333.432 2.815 20 5 EFBDRP CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000573318362 479037764 /nfs/dbraw/zinc/03/77/64/479037764.db2.gz XYSWYITWNSKCSH-UHFFFAOYSA-N 2 0 348.447 2.635 20 5 EFBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901306 479058852 /nfs/dbraw/zinc/05/88/52/479058852.db2.gz VDRCRUVMODIDFJ-HNNXBMFYSA-N 2 0 333.432 2.815 20 5 EFBDRP C[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000602019744 479141742 /nfs/dbraw/zinc/14/17/42/479141742.db2.gz HFSUYYLGZVWEHS-ZDUSSCGKSA-N 2 0 327.388 2.573 20 5 EFBDRP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000602022959 479143163 /nfs/dbraw/zinc/14/31/63/479143163.db2.gz UUPOBLSVEFMZTG-FRFSOERESA-N 2 0 343.431 2.525 20 5 EFBDRP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000593324534 479296846 /nfs/dbraw/zinc/29/68/46/479296846.db2.gz WUFKGNKTCQFVSU-HOTGVXAUSA-N 2 0 347.394 2.663 20 5 EFBDRP Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000593730801 479436678 /nfs/dbraw/zinc/43/66/78/479436678.db2.gz GZBUFZHKDCRQPZ-BBRMVZONSA-N 2 0 348.447 2.681 20 5 EFBDRP Cc1c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cccc1[N+](=O)[O-] ZINC000593739156 479440634 /nfs/dbraw/zinc/44/06/34/479440634.db2.gz YKUSXRFNIRDNIP-BQFCYCMXSA-N 2 0 333.432 2.622 20 5 EFBDRP Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589584528 479541304 /nfs/dbraw/zinc/54/13/04/479541304.db2.gz ZDOUQUCGOGJYHS-OLZOCXBDSA-N 2 0 326.400 2.910 20 5 EFBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000615721232 479743725 /nfs/dbraw/zinc/74/37/25/479743725.db2.gz FUHCGLMXSCMPKB-SAPNQHFASA-N 2 0 346.475 2.615 20 5 EFBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000154385789 500979444 /nfs/dbraw/zinc/97/94/44/500979444.db2.gz ZCNDJXCIJLZCHM-INIZCTEOSA-N 2 0 334.464 2.581 20 5 EFBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000121244363 521684388 /nfs/dbraw/zinc/68/43/88/521684388.db2.gz ZBELKFUKEDDLJJ-RDJZCZTQSA-N 2 0 348.491 2.827 20 5 EFBDRP O=[N+]([O-])c1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182963694 527399004 /nfs/dbraw/zinc/39/90/04/527399004.db2.gz OMXIZPXLXGVGJI-UHFFFAOYSA-N 2 0 347.459 2.919 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000765040643 576539766 /nfs/dbraw/zinc/53/97/66/576539766.db2.gz XDJBDPMDUKZKPW-QFBILLFUSA-N 2 0 344.459 2.780 20 5 EFBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001168967513 1272559752 /nfs/dbraw/zinc/55/97/52/1272559752.db2.gz QHWKXTDOHZHLFQ-CEXWTWQISA-N 2 0 331.460 2.934 20 5 EFBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168968054 1272559843 /nfs/dbraw/zinc/55/98/43/1272559843.db2.gz VFCSPVGFIBFMAC-OALUTQOASA-N 2 0 331.460 2.934 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170297715 1278981583 /nfs/dbraw/zinc/98/15/83/1278981583.db2.gz QUKNRVZLYHSNPF-LSDHHAIUSA-N 2 0 335.448 2.856 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001170329273 1279020082 /nfs/dbraw/zinc/02/00/82/1279020082.db2.gz YXASFFFYMATYSF-BMFZPTHFSA-N 2 0 335.448 2.997 20 5 EFBDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959710 1276559148 /nfs/dbraw/zinc/55/91/48/1276559148.db2.gz RHRJHBVHZWRFSG-CRAIPNDOSA-N 2 0 335.448 2.872 20 5 EFBDRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818959146 1276560108 /nfs/dbraw/zinc/56/01/08/1276560108.db2.gz DXLCCUAPPIVBNF-SFHVURJKSA-N 2 0 335.448 2.730 20 5 EFBDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959838 1276560165 /nfs/dbraw/zinc/56/01/65/1276560165.db2.gz USAJXANMPXPESC-MAUKXSAKSA-N 2 0 335.448 2.730 20 5 EFBDRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818969313 1276573784 /nfs/dbraw/zinc/57/37/84/1276573784.db2.gz CQAYEXZEKPLNFZ-IBGZPJMESA-N 2 0 343.427 2.870 20 5 EFBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)c1 ZINC000819050764 1276581617 /nfs/dbraw/zinc/58/16/17/1276581617.db2.gz WLTWRFRNUMUHME-GOSISDBHSA-N 2 0 335.448 2.874 20 5 EFBDRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819252967 1276686427 /nfs/dbraw/zinc/68/64/27/1276686427.db2.gz ZXQOKXHKFTUQES-IBGZPJMESA-N 2 0 343.427 2.522 20 5 EFBDRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819252968 1276686823 /nfs/dbraw/zinc/68/68/23/1276686823.db2.gz ZXQOKXHKFTUQES-LJQANCHMSA-N 2 0 343.427 2.522 20 5 EFBDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872222770 1287484299 /nfs/dbraw/zinc/48/42/99/1287484299.db2.gz DMEKYWRSAFYOGA-GOSISDBHSA-N 2 0 335.448 2.728 20 5 EFBDRP CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1)CC[NH+](C)C ZINC000809788795 1282489048 /nfs/dbraw/zinc/48/90/48/1282489048.db2.gz WFONRTUBKQOXPN-UHFFFAOYSA-N 2 0 342.871 2.564 20 5 EFBDRP COCCC1([NH3+])CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905333 1286309124 /nfs/dbraw/zinc/30/91/24/1286309124.db2.gz IZKUZQPLVCMYDX-QGZVFWFLSA-N 2 0 347.459 2.672 20 5 EFBDRP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172910157 1286351996 /nfs/dbraw/zinc/35/19/96/1286351996.db2.gz WTRCZFIKXHMRJC-SQNIBIBYSA-N 2 0 329.444 2.726 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC[NH+]2CCCC2)c1F ZINC001173175430 1286451092 /nfs/dbraw/zinc/45/10/92/1286451092.db2.gz NEPPILOPRKTFTR-ZDUSSCGKSA-N 2 0 339.411 2.749 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1F ZINC001173176153 1286452610 /nfs/dbraw/zinc/45/26/10/1286452610.db2.gz YZBYZUJCZSTEBC-GFCCVEGCSA-N 2 0 339.411 2.605 20 5 EFBDRP CCC[N@H+](CCC[NH3+])[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180028 1286455210 /nfs/dbraw/zinc/45/52/10/1286455210.db2.gz SEUFJFRJEZHIHF-GFCCVEGCSA-N 2 0 327.400 2.734 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)c1F ZINC001173183833 1286456816 /nfs/dbraw/zinc/45/68/16/1286456816.db2.gz NXZBJOAZSRUNCI-QWHCGFSZSA-N 2 0 339.411 2.747 20 5 EFBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292709 1289707131 /nfs/dbraw/zinc/70/71/31/1289707131.db2.gz VAKADUWIPQNUDA-WBVHZDCISA-N 2 0 347.459 2.664 20 5 EFBDRP [NH3+]CCc1cn(-c2ccc3ccc([N+](=O)[O-])cc3n2)c2cc[nH+]cc12 ZINC001160946212 1311817745 /nfs/dbraw/zinc/81/77/45/1311817745.db2.gz VYIATRANAGWHRY-UHFFFAOYSA-N 2 0 333.351 2.983 20 5 EFBDRP CC(C)[PH+](CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(C)C ZINC001162363300 1312094645 /nfs/dbraw/zinc/09/46/45/1312094645.db2.gz GVESYFUBGUWUTM-UHFFFAOYSA-N 2 0 339.380 2.782 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2([NH3+])CCCC2)c1F ZINC001246074470 1314580193 /nfs/dbraw/zinc/58/01/93/1314580193.db2.gz DFSMVOPGKPDQMI-NSHDSACASA-N 2 0 325.384 2.535 20 5 EFBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246091412 1314582290 /nfs/dbraw/zinc/58/22/90/1314582290.db2.gz ACXZNQFBRFSHGB-KSSFIOAISA-N 2 0 335.448 2.904 20 5 EFBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@]2(C)CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246103910 1314583284 /nfs/dbraw/zinc/58/32/84/1314583284.db2.gz UASVYQZZNWQSKN-RDTXWAMCSA-N 2 0 335.448 2.904 20 5 EFBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)CC[NH2+]C2 ZINC001246107335 1314583327 /nfs/dbraw/zinc/58/33/27/1314583327.db2.gz HOFSTCGFWMEDNS-AWEZNQCLSA-N 2 0 325.412 2.961 20 5 EFBDRP C[C@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[NH2+]C1 ZINC001246113973 1314584652 /nfs/dbraw/zinc/58/46/52/1314584652.db2.gz OPUYXZWMHMVQKR-HOCLYGCPSA-N 2 0 332.448 2.541 20 5 EFBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1F ZINC001246205365 1314597114 /nfs/dbraw/zinc/59/71/14/1314597114.db2.gz NKLSLYNUVXSGEU-IJLUTSLNSA-N 2 0 325.384 2.533 20 5 EFBDRP C[C@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@@H]1C[NH3+] ZINC001246564635 1314649540 /nfs/dbraw/zinc/64/95/40/1314649540.db2.gz ZKGAASLELNHNTM-JKSUJKDBSA-N 2 0 346.475 2.870 20 5 EFBDRP C[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1C[NH3+] ZINC001246564623 1314649769 /nfs/dbraw/zinc/64/97/69/1314649769.db2.gz ZKGAASLELNHNTM-CVEARBPZSA-N 2 0 346.475 2.870 20 5 EFBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CC2 ZINC001246945083 1314712128 /nfs/dbraw/zinc/71/21/28/1314712128.db2.gz ZHLJMQOWNSCHSZ-KSZLIROESA-N 2 0 329.444 2.774 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)CC2)cc1 ZINC001247016414 1314731362 /nfs/dbraw/zinc/73/13/62/1314731362.db2.gz UXTBZYXKSXKIHP-DNVCBOLYSA-N 2 0 344.459 2.638 20 5 EFBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC34CC[NH+](CC3)CC4)CC2)cc1 ZINC001254468266 1315707204 /nfs/dbraw/zinc/70/72/04/1315707204.db2.gz IZMDNZDCGFHNGC-UHFFFAOYSA-N 2 0 344.459 2.639 20 5 EFBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893366069 721033715 /nfs/dbraw/zinc/03/37/15/721033715.db2.gz ALLYLAPOVLSTLG-AWEZNQCLSA-N 2 0 329.828 2.695 20 5 EFBDRP C[NH+](C)CC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000738077050 723907237 /nfs/dbraw/zinc/90/72/37/723907237.db2.gz QTCZCDCZWINHBS-UHFFFAOYSA-N 2 0 343.431 2.689 20 5 EFBDRP