smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCO)CCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906299 776917189 /nfs/dbraw/zinc/91/71/89/776917189.db2.gz NXMNGBRYGRMOCH-INIZCTEOSA-N 2 1 321.421 1.746 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC001119618486 781538556 /nfs/dbraw/zinc/53/85/56/781538556.db2.gz LKDQKCRGTWPJRF-OAHLLOKOSA-N 2 1 303.362 1.331 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC001119618486 781538561 /nfs/dbraw/zinc/53/85/61/781538561.db2.gz LKDQKCRGTWPJRF-OAHLLOKOSA-N 2 1 303.362 1.331 20 5 DDBDMP C[N@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001156385639 862996324 /nfs/dbraw/zinc/99/63/24/862996324.db2.gz IBEIJBQOQLRXHB-NSHDSACASA-N 2 1 320.397 1.215 20 5 DDBDMP O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC001335898631 868605582 /nfs/dbraw/zinc/60/55/82/868605582.db2.gz UIYGMHPBOGOMOL-OAHLLOKOSA-N 2 1 308.382 1.053 20 5 DDBDMP [NH3+][C@]12CC[C@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865057 892953462 /nfs/dbraw/zinc/95/34/62/892953462.db2.gz XVZNMKRVJWRGNR-GUYCJALGSA-N 2 1 316.405 1.987 20 5 DDBDMP C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000090550399 185302532 /nfs/dbraw/zinc/30/25/32/185302532.db2.gz YGDDNLZMJVOZLN-CYBMUJFWSA-N 2 1 308.382 1.030 20 5 DDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000090550399 185302533 /nfs/dbraw/zinc/30/25/33/185302533.db2.gz YGDDNLZMJVOZLN-CYBMUJFWSA-N 2 1 308.382 1.030 20 5 DDBDMP C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000090550399 185302534 /nfs/dbraw/zinc/30/25/34/185302534.db2.gz YGDDNLZMJVOZLN-CYBMUJFWSA-N 2 1 308.382 1.030 20 5 DDBDMP C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000090550399 185302535 /nfs/dbraw/zinc/30/25/35/185302535.db2.gz YGDDNLZMJVOZLN-CYBMUJFWSA-N 2 1 308.382 1.030 20 5 DDBDMP COc1cc(NCC[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596424661 356875086 /nfs/dbraw/zinc/87/50/86/356875086.db2.gz JNBODRYJALTJIT-UHFFFAOYSA-N 2 1 310.398 1.899 20 5 DDBDMP COc1cc(NCC[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596424661 356875090 /nfs/dbraw/zinc/87/50/90/356875090.db2.gz JNBODRYJALTJIT-UHFFFAOYSA-N 2 1 310.398 1.899 20 5 DDBDMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600729084 358298771 /nfs/dbraw/zinc/29/87/71/358298771.db2.gz DDQACZJCRZLHRA-GFCCVEGCSA-N 2 1 324.381 1.090 20 5 DDBDMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600729084 358298773 /nfs/dbraw/zinc/29/87/73/358298773.db2.gz DDQACZJCRZLHRA-GFCCVEGCSA-N 2 1 324.381 1.090 20 5 DDBDMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507878 781991988 /nfs/dbraw/zinc/99/19/88/781991988.db2.gz MCCBQCXNOWAOSR-CJNGLKHVSA-N 2 1 307.394 1.950 20 5 DDBDMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507880 781992228 /nfs/dbraw/zinc/99/22/28/781992228.db2.gz MCCBQCXNOWAOSR-CZUORRHYSA-N 2 1 307.394 1.950 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035321 419796839 /nfs/dbraw/zinc/79/68/39/419796839.db2.gz PMQMAVSBABTACJ-QWHCGFSZSA-N 2 1 318.377 1.607 20 5 DDBDMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035321 419796846 /nfs/dbraw/zinc/79/68/46/419796846.db2.gz PMQMAVSBABTACJ-QWHCGFSZSA-N 2 1 318.377 1.607 20 5 DDBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423282135 420000950 /nfs/dbraw/zinc/00/09/50/420000950.db2.gz UZEDRKKAKSXGPY-QMTHXVAHSA-N 2 1 306.366 1.639 20 5 DDBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442795754 420717071 /nfs/dbraw/zinc/71/70/71/420717071.db2.gz VJWZDSJLGQXCTP-NWDGAFQWSA-N 2 1 306.366 1.593 20 5 DDBDMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397318191 302353333 /nfs/dbraw/zinc/35/33/33/302353333.db2.gz MCIQNUJOSRLGSM-SUNKGSAMSA-N 2 1 320.393 1.499 20 5 DDBDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397318191 302353334 /nfs/dbraw/zinc/35/33/34/302353334.db2.gz MCIQNUJOSRLGSM-SUNKGSAMSA-N 2 1 320.393 1.499 20 5 DDBDMP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C[NH3+])C1CC1 ZINC000843386342 702871129 /nfs/dbraw/zinc/87/11/29/702871129.db2.gz HFKYPGYFSSCQDQ-CQSZACIVSA-N 2 1 324.356 1.732 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H](C[NH3+])C1CC1 ZINC000843386342 702871131 /nfs/dbraw/zinc/87/11/31/702871131.db2.gz HFKYPGYFSSCQDQ-CQSZACIVSA-N 2 1 324.356 1.732 20 5 DDBDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819365850 704113657 /nfs/dbraw/zinc/11/36/57/704113657.db2.gz CGJJRGHQWYCIFL-CJNGLKHVSA-N 2 1 307.394 1.950 20 5 DDBDMP C[NH+](C)C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870928364 704172243 /nfs/dbraw/zinc/17/22/43/704172243.db2.gz FEHZBXCNWLIDLK-WBMJQRKESA-N 2 1 320.393 1.179 20 5 DDBDMP COCC[N@@H+](C)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876928407 705927934 /nfs/dbraw/zinc/92/79/34/705927934.db2.gz CHLUUNPABAMNSB-UHFFFAOYSA-N 2 1 311.386 1.053 20 5 DDBDMP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000878374341 706372105 /nfs/dbraw/zinc/37/21/05/706372105.db2.gz SXNYJOSCXCRAJO-GFCCVEGCSA-N 2 1 320.393 1.456 20 5 DDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000887133239 708967334 /nfs/dbraw/zinc/96/73/34/708967334.db2.gz XDJCKMGCRCAVMG-ZDUSSCGKSA-N 2 1 316.365 1.397 20 5 DDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000887133239 708967337 /nfs/dbraw/zinc/96/73/37/708967337.db2.gz XDJCKMGCRCAVMG-ZDUSSCGKSA-N 2 1 316.365 1.397 20 5 DDBDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000903491124 711146200 /nfs/dbraw/zinc/14/62/00/711146200.db2.gz WLCJKXZNNLJASQ-ZENOOKHLSA-N 2 1 319.361 1.307 20 5 DDBDMP O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903922762 711333407 /nfs/dbraw/zinc/33/34/07/711333407.db2.gz DLYLSQIXUIMNCY-ZDUSSCGKSA-N 2 1 316.365 1.401 20 5 DDBDMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282764 714296695 /nfs/dbraw/zinc/29/66/95/714296695.db2.gz QDOUDZIFZOLSPF-UONOGXRCSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282764 714296698 /nfs/dbraw/zinc/29/66/98/714296698.db2.gz QDOUDZIFZOLSPF-UONOGXRCSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001332981827 866309403 /nfs/dbraw/zinc/30/94/03/866309403.db2.gz PIMSAEHWNHVDOJ-BBNOBNGHSA-N 2 1 307.398 1.957 20 5 DDBDMP C[N@@H+]1CCc2c(-n3ccnc3CC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001166383796 869976845 /nfs/dbraw/zinc/97/68/45/869976845.db2.gz QMBPCPZUBOXBRF-UHFFFAOYSA-N 2 1 301.350 1.270 20 5 DDBDMP C[N@H+]1CCc2c(-n3ccnc3CC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001166383796 869976850 /nfs/dbraw/zinc/97/68/50/869976850.db2.gz QMBPCPZUBOXBRF-UHFFFAOYSA-N 2 1 301.350 1.270 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246631624 892753229 /nfs/dbraw/zinc/75/32/29/892753229.db2.gz RTGQVJFLFUBEHC-BBRMVZONSA-N 2 1 304.394 1.163 20 5 DDBDMP NC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000358506221 299178106 /nfs/dbraw/zinc/17/81/06/299178106.db2.gz KYUDBRFZWBEAFR-UHFFFAOYSA-N 2 1 318.377 1.269 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000594497732 356237811 /nfs/dbraw/zinc/23/78/11/356237811.db2.gz DYUZRYJFFBBHBC-OAHLLOKOSA-N 2 1 323.397 1.024 20 5 DDBDMP CC[C@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414976594 419901716 /nfs/dbraw/zinc/90/17/16/419901716.db2.gz IHWSBXLZWGOZNW-ZDUSSCGKSA-N 2 1 303.366 1.822 20 5 DDBDMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430918888 420203728 /nfs/dbraw/zinc/20/37/28/420203728.db2.gz OKJFGRKBIFXUHA-LBPRGKRZSA-N 2 1 309.366 1.524 20 5 DDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430918888 420203735 /nfs/dbraw/zinc/20/37/35/420203735.db2.gz OKJFGRKBIFXUHA-LBPRGKRZSA-N 2 1 309.366 1.524 20 5 DDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430928494 420210151 /nfs/dbraw/zinc/21/01/51/420210151.db2.gz UFNYFSBWXSMQLC-ZDUSSCGKSA-N 2 1 320.393 1.773 20 5 DDBDMP CC(C)[N@@H+](C)CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000531108790 421623937 /nfs/dbraw/zinc/62/39/37/421623937.db2.gz ZNVHKCYSTSPYKJ-UHFFFAOYSA-N 2 1 309.414 1.844 20 5 DDBDMP Cc1c(CN2CCN(c3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000578713992 422629325 /nfs/dbraw/zinc/62/93/25/422629325.db2.gz VDIOUHSDWYLTRB-UHFFFAOYSA-N 2 1 301.350 1.949 20 5 DDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261983501 698448644 /nfs/dbraw/zinc/44/86/44/698448644.db2.gz AQKPFMOQCGHYGE-INIZCTEOSA-N 2 1 304.394 1.117 20 5 DDBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[N+](=O)[O-])CC1 ZINC000791053328 699608965 /nfs/dbraw/zinc/60/89/65/699608965.db2.gz DGTYLZIGXDRQLI-ZDUSSCGKSA-N 2 1 324.400 1.895 20 5 DDBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC23C[NH2+]C3)c1F ZINC001246444825 892630261 /nfs/dbraw/zinc/63/02/61/892630261.db2.gz LWZCPPWOVNXYPA-ZANVPECISA-N 2 1 309.341 1.625 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](CCO)CC1 ZINC001254539549 896494563 /nfs/dbraw/zinc/49/45/63/896494563.db2.gz IMFXHWQCFLFZKP-CYBMUJFWSA-N 2 1 307.394 1.572 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C2 ZINC001254576315 896511081 /nfs/dbraw/zinc/51/10/81/896511081.db2.gz VNCZGPWLZUZZEQ-HNNXBMFYSA-N 2 1 305.378 1.108 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000597943360 357392969 /nfs/dbraw/zinc/39/29/69/357392969.db2.gz ZFKPBOAEIZQBHV-ZDUSSCGKSA-N 2 1 322.409 1.597 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000597943360 357392971 /nfs/dbraw/zinc/39/29/71/357392971.db2.gz ZFKPBOAEIZQBHV-ZDUSSCGKSA-N 2 1 322.409 1.597 20 5 DDBDMP Cn1cnc(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602688623 359126319 /nfs/dbraw/zinc/12/63/19/359126319.db2.gz MKQRKRAIGMOXHQ-UHFFFAOYSA-N 2 1 301.306 1.802 20 5 DDBDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889153 408360879 /nfs/dbraw/zinc/36/08/79/408360879.db2.gz IUDPJRCCILMRBC-KGLIPLIRSA-N 2 1 319.409 1.960 20 5 DDBDMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889153 408360884 /nfs/dbraw/zinc/36/08/84/408360884.db2.gz IUDPJRCCILMRBC-KGLIPLIRSA-N 2 1 319.409 1.960 20 5 DDBDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889153 408360888 /nfs/dbraw/zinc/36/08/88/408360888.db2.gz IUDPJRCCILMRBC-KGLIPLIRSA-N 2 1 319.409 1.960 20 5 DDBDMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889153 408360891 /nfs/dbraw/zinc/36/08/91/408360891.db2.gz IUDPJRCCILMRBC-KGLIPLIRSA-N 2 1 319.409 1.960 20 5 DDBDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247532675 408488984 /nfs/dbraw/zinc/48/89/84/408488984.db2.gz XQLUZGQFTJQJEH-DZGCQCFKSA-N 2 1 323.393 1.218 20 5 DDBDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247532675 408488992 /nfs/dbraw/zinc/48/89/92/408488992.db2.gz XQLUZGQFTJQJEH-DZGCQCFKSA-N 2 1 323.393 1.218 20 5 DDBDMP CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289306647 409245985 /nfs/dbraw/zinc/24/59/85/409245985.db2.gz ATAPEEKYMCFMHU-HNNXBMFYSA-N 2 1 307.394 1.524 20 5 DDBDMP CN(C[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289306647 409245988 /nfs/dbraw/zinc/24/59/88/409245988.db2.gz ATAPEEKYMCFMHU-HNNXBMFYSA-N 2 1 307.394 1.524 20 5 DDBDMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000415135512 419961044 /nfs/dbraw/zinc/96/10/44/419961044.db2.gz WSFOQLKRFPNEHG-OAHLLOKOSA-N 2 1 316.365 1.482 20 5 DDBDMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000415135512 419961052 /nfs/dbraw/zinc/96/10/52/419961052.db2.gz WSFOQLKRFPNEHG-OAHLLOKOSA-N 2 1 316.365 1.482 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430955627 420221819 /nfs/dbraw/zinc/22/18/19/420221819.db2.gz MCHQAZPYKWFYPB-DGCLKSJQSA-N 2 1 320.393 1.901 20 5 DDBDMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000430958724 420224463 /nfs/dbraw/zinc/22/44/63/420224463.db2.gz ZEFJSLVWMFWLED-UHFFFAOYSA-N 2 1 320.393 1.773 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@@H+](CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000420363564 420239518 /nfs/dbraw/zinc/23/95/18/420239518.db2.gz PLSSHWIZMFWVEK-UHFFFAOYSA-N 2 1 304.394 1.464 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430946075 420218730 /nfs/dbraw/zinc/21/87/30/420218730.db2.gz YYXIOKUZANYTAX-GXTWGEPZSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442767110 420711825 /nfs/dbraw/zinc/71/18/25/420711825.db2.gz MBTKIHXGUKKKBQ-DGCLKSJQSA-N 2 1 320.393 1.901 20 5 DDBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[NH3+])CC1 ZINC000575755696 422323104 /nfs/dbraw/zinc/32/31/04/422323104.db2.gz WHUMTICJMDKWHN-GFCCVEGCSA-N 2 1 320.393 1.983 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000531970541 303268313 /nfs/dbraw/zinc/26/83/13/303268313.db2.gz CRTUHCUNKJGXHM-UKRRQHHQSA-N 2 1 306.410 1.800 20 5 DDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567345833 308078367 /nfs/dbraw/zinc/07/83/67/308078367.db2.gz VTVMCALZTVGXPL-IPYPFGDCSA-N 2 1 323.393 1.407 20 5 DDBDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccccc2[N+](=O)[O-])C1 ZINC000779654733 698449954 /nfs/dbraw/zinc/44/99/54/698449954.db2.gz QQQWUCJVDZYUNG-AWEZNQCLSA-N 2 1 322.365 1.702 20 5 DDBDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccccc2[N+](=O)[O-])C1 ZINC000779654733 698449956 /nfs/dbraw/zinc/44/99/56/698449956.db2.gz QQQWUCJVDZYUNG-AWEZNQCLSA-N 2 1 322.365 1.702 20 5 DDBDMP CCN(CCC[NH+](C)C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870927676 704171655 /nfs/dbraw/zinc/17/16/55/704171655.db2.gz AVZQEVKPRIMEJX-INIZCTEOSA-N 2 1 322.409 1.569 20 5 DDBDMP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895770309 711601335 /nfs/dbraw/zinc/60/13/35/711601335.db2.gz LUBOMHMXXRLYHB-VXGBXAGGSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895770309 711601336 /nfs/dbraw/zinc/60/13/36/711601336.db2.gz LUBOMHMXXRLYHB-VXGBXAGGSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895770309 711601337 /nfs/dbraw/zinc/60/13/37/711601337.db2.gz LUBOMHMXXRLYHB-VXGBXAGGSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C)n1 ZINC000895770309 711601338 /nfs/dbraw/zinc/60/13/38/711601338.db2.gz LUBOMHMXXRLYHB-VXGBXAGGSA-N 2 1 320.397 1.222 20 5 DDBDMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641480 712104321 /nfs/dbraw/zinc/10/43/21/712104321.db2.gz CABSFQQWJAYODW-JSGCOSHPSA-N 2 1 307.394 1.743 20 5 DDBDMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641480 712104323 /nfs/dbraw/zinc/10/43/23/712104323.db2.gz CABSFQQWJAYODW-JSGCOSHPSA-N 2 1 307.394 1.743 20 5 DDBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000923330840 714317185 /nfs/dbraw/zinc/31/71/85/714317185.db2.gz CJSDOWYUUOJWJF-DTZQCDIJSA-N 2 1 305.378 1.687 20 5 DDBDMP C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000923335928 714319519 /nfs/dbraw/zinc/31/95/19/714319519.db2.gz SGXPIPUFIDIMDB-UONOGXRCSA-N 2 1 323.393 1.408 20 5 DDBDMP C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000923335925 714319690 /nfs/dbraw/zinc/31/96/90/714319690.db2.gz SGXPIPUFIDIMDB-KBPBESRZSA-N 2 1 323.393 1.408 20 5 DDBDMP O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)c1 ZINC000923369619 714330504 /nfs/dbraw/zinc/33/05/04/714330504.db2.gz LSDPJGXOWKBUFW-INIZCTEOSA-N 2 1 317.389 1.938 20 5 DDBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923386842 714337298 /nfs/dbraw/zinc/33/72/98/714337298.db2.gz KGYCYAZVJKMENV-BPUTZDHNSA-N 2 1 305.378 1.689 20 5 DDBDMP COc1ccc(OCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000923519601 714388399 /nfs/dbraw/zinc/38/83/99/714388399.db2.gz VNPQIFKLHPTINK-QWHCGFSZSA-N 2 1 321.377 1.524 20 5 DDBDMP COc1ccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000923519601 714388401 /nfs/dbraw/zinc/38/84/01/714388401.db2.gz VNPQIFKLHPTINK-QWHCGFSZSA-N 2 1 321.377 1.524 20 5 DDBDMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988036 762180417 /nfs/dbraw/zinc/18/04/17/762180417.db2.gz MSVPUEZDAHGEQK-UONOGXRCSA-N 3 1 314.474 1.907 20 5 DDBDMP Cc1cc(Cl)c([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157096559 863573613 /nfs/dbraw/zinc/57/36/13/863573613.db2.gz KNSSPMBJZOCXEN-UHFFFAOYSA-N 2 1 300.750 1.627 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246559075 892698933 /nfs/dbraw/zinc/69/89/33/892698933.db2.gz NFEMFNYYOHHEDD-CZUORRHYSA-N 2 1 307.394 1.702 20 5 DDBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596654957 356943306 /nfs/dbraw/zinc/94/33/06/356943306.db2.gz RXFZGEASVFWBDI-FZWSLVFFSA-N 2 1 318.377 1.654 20 5 DDBDMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507882 781992552 /nfs/dbraw/zinc/99/25/52/781992552.db2.gz MCCBQCXNOWAOSR-XJKSGUPXSA-N 2 1 307.394 1.950 20 5 DDBDMP C[N@H+]1CCN(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000282210547 409011001 /nfs/dbraw/zinc/01/10/01/409011001.db2.gz DIYOYHQRFVVLPM-UHFFFAOYSA-N 2 1 306.410 1.710 20 5 DDBDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430940743 420216654 /nfs/dbraw/zinc/21/66/54/420216654.db2.gz QVIWFIOZHAPQQT-RYUDHWBXSA-N 2 1 306.366 1.593 20 5 DDBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000436068836 303373779 /nfs/dbraw/zinc/37/37/79/303373779.db2.gz XDBQYXRFMHKDRI-CQSZACIVSA-N 2 1 320.393 1.414 20 5 DDBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000436068836 303373780 /nfs/dbraw/zinc/37/37/80/303373780.db2.gz XDBQYXRFMHKDRI-CQSZACIVSA-N 2 1 320.393 1.414 20 5 DDBDMP Cc1nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000779868150 698477083 /nfs/dbraw/zinc/47/70/83/698477083.db2.gz UHKBOYPRTOVWKG-CQSZACIVSA-N 2 1 307.398 1.721 20 5 DDBDMP Cc1nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000779868150 698477086 /nfs/dbraw/zinc/47/70/86/698477086.db2.gz UHKBOYPRTOVWKG-CQSZACIVSA-N 2 1 307.398 1.721 20 5 DDBDMP COCC[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000886303703 708738876 /nfs/dbraw/zinc/73/88/76/708738876.db2.gz DHSDLPSYQBXAQS-UHFFFAOYSA-N 2 1 322.409 1.780 20 5 DDBDMP COCC[N@H+](Cc1cccnc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000886303703 708738877 /nfs/dbraw/zinc/73/88/77/708738877.db2.gz DHSDLPSYQBXAQS-UHFFFAOYSA-N 2 1 322.409 1.780 20 5 DDBDMP CN(C)[C@@H]1[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000931276409 714054746 /nfs/dbraw/zinc/05/47/46/714054746.db2.gz HQRZIALUTXXACB-ZSHCYNCHSA-N 2 1 305.378 1.856 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001173234049 777065069 /nfs/dbraw/zinc/06/50/69/777065069.db2.gz OYZLGNAIVSHZSO-HNNXBMFYSA-N 2 1 320.437 1.705 20 5 DDBDMP C[N@@H+]1CC=C(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001335398424 868271455 /nfs/dbraw/zinc/27/14/55/868271455.db2.gz PDDKRGDHYKNIQQ-AWEZNQCLSA-N 2 1 321.377 1.186 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351853569 410291024 /nfs/dbraw/zinc/29/10/24/410291024.db2.gz PBSGWOHMXQKQCC-CHWSQXEVSA-N 2 1 320.393 1.901 20 5 DDBDMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254178 410420069 /nfs/dbraw/zinc/42/00/69/410420069.db2.gz PDAYITXRDGJESZ-DOTOQJQBSA-N 2 1 319.405 1.572 20 5 DDBDMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254178 410420073 /nfs/dbraw/zinc/42/00/73/410420073.db2.gz PDAYITXRDGJESZ-DOTOQJQBSA-N 2 1 319.405 1.572 20 5 DDBDMP C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC000923497705 714378826 /nfs/dbraw/zinc/37/88/26/714378826.db2.gz CMVOTGKBZAZCKN-QWHCGFSZSA-N 2 1 320.393 1.474 20 5 DDBDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001152440093 863345155 /nfs/dbraw/zinc/34/51/55/863345155.db2.gz YGOMTTNSCYFFEM-UHFFFAOYSA-N 2 1 314.411 1.202 20 5 DDBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NCC[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000601203803 358446534 /nfs/dbraw/zinc/44/65/34/358446534.db2.gz VNQLBDYOQDZOTL-GFCCVEGCSA-N 2 1 302.334 1.043 20 5 DDBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NCC[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000601203803 358446538 /nfs/dbraw/zinc/44/65/38/358446538.db2.gz VNQLBDYOQDZOTL-GFCCVEGCSA-N 2 1 302.334 1.043 20 5 DDBDMP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])n1 ZINC000602437943 358975533 /nfs/dbraw/zinc/97/55/33/358975533.db2.gz AQOHAIAPIXTEAC-UHFFFAOYSA-N 2 1 307.398 1.636 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878400 359261111 /nfs/dbraw/zinc/26/11/11/359261111.db2.gz RKVICWOHWCUCOI-UHFFFAOYSA-N 2 1 307.398 1.517 20 5 DDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000351495708 284344116 /nfs/dbraw/zinc/34/41/16/284344116.db2.gz PYRQOGOCZUZIBL-BYCMXARLSA-N 2 1 318.377 1.593 20 5 DDBDMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351504304 284351054 /nfs/dbraw/zinc/35/10/54/284351054.db2.gz VKSHCKFVJMQEPY-ZIAGYGMSSA-N 2 1 307.398 1.959 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000174870716 407998266 /nfs/dbraw/zinc/99/82/66/407998266.db2.gz OAKIOSDWQPFKOT-CQSZACIVSA-N 2 1 307.398 1.742 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000174870716 407998274 /nfs/dbraw/zinc/99/82/74/407998274.db2.gz OAKIOSDWQPFKOT-CQSZACIVSA-N 2 1 307.398 1.742 20 5 DDBDMP CCCn1ccnc1CCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000191511633 408436553 /nfs/dbraw/zinc/43/65/53/408436553.db2.gz QLQRFIQBHHLYIC-UHFFFAOYSA-N 2 1 320.397 1.962 20 5 DDBDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000191511633 408436556 /nfs/dbraw/zinc/43/65/56/408436556.db2.gz QLQRFIQBHHLYIC-UHFFFAOYSA-N 2 1 320.397 1.962 20 5 DDBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000191511633 408436559 /nfs/dbraw/zinc/43/65/59/408436559.db2.gz QLQRFIQBHHLYIC-UHFFFAOYSA-N 2 1 320.397 1.962 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035322 419795878 /nfs/dbraw/zinc/79/58/78/419795878.db2.gz PMQMAVSBABTACJ-STQMWFEESA-N 2 1 318.377 1.607 20 5 DDBDMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035322 419795885 /nfs/dbraw/zinc/79/58/85/419795885.db2.gz PMQMAVSBABTACJ-STQMWFEESA-N 2 1 318.377 1.607 20 5 DDBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430928517 420211397 /nfs/dbraw/zinc/21/13/97/420211397.db2.gz UJSXJESTBMWHQQ-QWHCGFSZSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063899 420742471 /nfs/dbraw/zinc/74/24/71/420742471.db2.gz XISDSYYZYVVQII-QWHCGFSZSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000442776202 420714148 /nfs/dbraw/zinc/71/41/48/420714148.db2.gz BSYJACOOLZQXAA-VXGBXAGGSA-N 2 1 306.366 1.593 20 5 DDBDMP CC(C)(CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000877521702 706131058 /nfs/dbraw/zinc/13/10/58/706131058.db2.gz AFQNBTUBIMNMKZ-UHFFFAOYSA-N 2 1 322.409 1.471 20 5 DDBDMP O=[N+]([O-])c1ncccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000885958920 708671379 /nfs/dbraw/zinc/67/13/79/708671379.db2.gz OTSCMBLXUWFUGK-UHFFFAOYSA-N 2 1 320.393 1.534 20 5 DDBDMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931434445 714096934 /nfs/dbraw/zinc/09/69/34/714096934.db2.gz VDUGBQNBIFAHTD-KGLIPLIRSA-N 2 1 305.378 1.857 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931434445 714096937 /nfs/dbraw/zinc/09/69/37/714096937.db2.gz VDUGBQNBIFAHTD-KGLIPLIRSA-N 2 1 305.378 1.857 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931434445 714096940 /nfs/dbraw/zinc/09/69/40/714096940.db2.gz VDUGBQNBIFAHTD-KGLIPLIRSA-N 2 1 305.378 1.857 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923332690 714318151 /nfs/dbraw/zinc/31/81/51/714318151.db2.gz MCTBJKBPKNDNIE-HOCLYGCPSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923332690 714318153 /nfs/dbraw/zinc/31/81/53/714318153.db2.gz MCTBJKBPKNDNIE-HOCLYGCPSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001168997113 762169639 /nfs/dbraw/zinc/16/96/39/762169639.db2.gz XUICQBTYDQSSRB-HRCADAONSA-N 2 1 311.426 1.522 20 5 DDBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001168997113 762169643 /nfs/dbraw/zinc/16/96/43/762169643.db2.gz XUICQBTYDQSSRB-HRCADAONSA-N 2 1 311.426 1.522 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC001327863865 862524764 /nfs/dbraw/zinc/52/47/64/862524764.db2.gz JVPRZNIRYYQNEO-CHWSQXEVSA-N 2 1 305.382 1.476 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CC3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001159025521 865053066 /nfs/dbraw/zinc/05/30/66/865053066.db2.gz SDXHESFBUMSVCQ-QPJJXVBHSA-N 2 1 317.393 1.712 20 5 DDBDMP C[NH+](C)/C=C/c1cc(NC[C@@H]2CC[NH2+]C[C@@H]2F)ncc1[N+](=O)[O-] ZINC001162809048 867843635 /nfs/dbraw/zinc/84/36/35/867843635.db2.gz VFLLVCIQTMXBDI-VFQZCJPISA-N 2 1 323.372 1.882 20 5 DDBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC23C[NH2+]C3)c1F ZINC001246444823 892629522 /nfs/dbraw/zinc/62/95/22/892629522.db2.gz LWZCPPWOVNXYPA-RNCFNFMXSA-N 2 1 309.341 1.625 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000593739147 355981566 /nfs/dbraw/zinc/98/15/66/355981566.db2.gz YFQJKYHFMTZRJA-BFHYXJOUSA-N 2 1 323.397 1.010 20 5 DDBDMP Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000596364610 356864511 /nfs/dbraw/zinc/86/45/11/356864511.db2.gz PPQMUSGNWYLHDV-ZDUSSCGKSA-N 2 1 309.414 1.982 20 5 DDBDMP Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000596364610 356864512 /nfs/dbraw/zinc/86/45/12/356864512.db2.gz PPQMUSGNWYLHDV-ZDUSSCGKSA-N 2 1 309.414 1.982 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597943245 357393120 /nfs/dbraw/zinc/39/31/20/357393120.db2.gz WCCVIUMJJHBLAH-ZDUSSCGKSA-N 2 1 322.409 1.597 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597943245 357393121 /nfs/dbraw/zinc/39/31/21/357393121.db2.gz WCCVIUMJJHBLAH-ZDUSSCGKSA-N 2 1 322.409 1.597 20 5 DDBDMP CN(CCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)Cc1ccco1 ZINC000285869851 408880070 /nfs/dbraw/zinc/88/00/70/408880070.db2.gz YWBBXQMQRNSDPH-UHFFFAOYSA-N 2 1 321.381 1.838 20 5 DDBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)C[NH3+] ZINC000415047994 419921711 /nfs/dbraw/zinc/92/17/11/419921711.db2.gz BKHIFYQTCHMVFU-CYBMUJFWSA-N 2 1 305.334 1.606 20 5 DDBDMP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)C[NH3+] ZINC000415047994 419921715 /nfs/dbraw/zinc/92/17/15/419921715.db2.gz BKHIFYQTCHMVFU-CYBMUJFWSA-N 2 1 305.334 1.606 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919278 420205099 /nfs/dbraw/zinc/20/50/99/420205099.db2.gz PVUPFVBIAPJKON-OCCSQVGLSA-N 2 1 320.393 1.901 20 5 DDBDMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928109 299022325 /nfs/dbraw/zinc/02/23/25/299022325.db2.gz LWWIBAAGAZMENW-CQSZACIVSA-N 2 1 307.398 1.455 20 5 DDBDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928109 299022326 /nfs/dbraw/zinc/02/23/26/299022326.db2.gz LWWIBAAGAZMENW-CQSZACIVSA-N 2 1 307.398 1.455 20 5 DDBDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928109 299022328 /nfs/dbraw/zinc/02/23/28/299022328.db2.gz LWWIBAAGAZMENW-CQSZACIVSA-N 2 1 307.398 1.455 20 5 DDBDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928109 299022330 /nfs/dbraw/zinc/02/23/30/299022330.db2.gz LWWIBAAGAZMENW-CQSZACIVSA-N 2 1 307.398 1.455 20 5 DDBDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928109 299022331 /nfs/dbraw/zinc/02/23/31/299022331.db2.gz LWWIBAAGAZMENW-CQSZACIVSA-N 2 1 307.398 1.455 20 5 DDBDMP [NH3+]CCCCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000846220817 703252596 /nfs/dbraw/zinc/25/25/96/703252596.db2.gz VKXWJWMWOSZWQI-CYBMUJFWSA-N 2 1 307.398 1.995 20 5 DDBDMP CCCN(CC[NH+](C)C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870910873 704165128 /nfs/dbraw/zinc/16/51/28/704165128.db2.gz VHPFKXWAOQOODO-INIZCTEOSA-N 2 1 322.409 1.569 20 5 DDBDMP CN(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242084 879875666 /nfs/dbraw/zinc/87/56/66/879875666.db2.gz LCWWDTNASGXJFY-SOUVJXGZSA-N 2 1 307.394 1.947 20 5 DDBDMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1O ZINC001246578383 892710315 /nfs/dbraw/zinc/71/03/15/892710315.db2.gz BNXMRBSWHQXUTG-LZWOXQAQSA-N 2 1 305.378 1.094 20 5 DDBDMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682017 357684827 /nfs/dbraw/zinc/68/48/27/357684827.db2.gz KPQHPYXTMBVGDN-BLLLJJGKSA-N 2 1 318.377 1.737 20 5 DDBDMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682017 357684830 /nfs/dbraw/zinc/68/48/30/357684830.db2.gz KPQHPYXTMBVGDN-BLLLJJGKSA-N 2 1 318.377 1.737 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000602830968 359222237 /nfs/dbraw/zinc/22/22/37/359222237.db2.gz DEIURDBUBAQLQJ-OAHLLOKOSA-N 2 1 307.398 1.517 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000602830968 359222240 /nfs/dbraw/zinc/22/22/40/359222240.db2.gz DEIURDBUBAQLQJ-OAHLLOKOSA-N 2 1 307.398 1.517 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000602830968 359222246 /nfs/dbraw/zinc/22/22/46/359222246.db2.gz DEIURDBUBAQLQJ-OAHLLOKOSA-N 2 1 307.398 1.517 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000602830968 359222250 /nfs/dbraw/zinc/22/22/50/359222250.db2.gz DEIURDBUBAQLQJ-OAHLLOKOSA-N 2 1 307.398 1.517 20 5 DDBDMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420320489 420205575 /nfs/dbraw/zinc/20/55/75/420205575.db2.gz QJOCRPSINRXTSA-HNNXBMFYSA-N 2 1 308.382 1.886 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430613520 420157120 /nfs/dbraw/zinc/15/71/20/420157120.db2.gz WCTZAQFPYXCTDC-ZDUSSCGKSA-N 2 1 320.393 1.903 20 5 DDBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420407603 420265686 /nfs/dbraw/zinc/26/56/86/420265686.db2.gz USRSDDNZSATSJQ-UHFFFAOYSA-N 2 1 323.393 1.668 20 5 DDBDMP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000873256458 707786781 /nfs/dbraw/zinc/78/67/81/707786781.db2.gz MUGHOABSVOTZIO-WHOFXGATSA-N 2 1 315.377 1.745 20 5 DDBDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000903490631 711146148 /nfs/dbraw/zinc/14/61/48/711146148.db2.gz AVXKOEOWZFHYNU-ZENOOKHLSA-N 2 1 319.361 1.307 20 5 DDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757303 711269892 /nfs/dbraw/zinc/26/98/92/711269892.db2.gz BVUIICPYZPHSRV-RDJZCZTQSA-N 2 1 319.405 1.838 20 5 DDBDMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000923379845 714334899 /nfs/dbraw/zinc/33/48/99/714334899.db2.gz ABGFVIVNJNLOMI-DSPQJCBJSA-N 2 1 307.394 1.933 20 5 DDBDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131377402 768102025 /nfs/dbraw/zinc/10/20/25/768102025.db2.gz PVQQJZSXZQSHJZ-UHFFFAOYSA-N 2 1 317.349 1.006 20 5 DDBDMP C[C@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)[C@H]1C[NH2+]CCO1 ZINC001170577368 768264209 /nfs/dbraw/zinc/26/42/09/768264209.db2.gz ZFFNTXJYUKMEBX-MEDUHNTESA-N 2 1 320.393 1.372 20 5 DDBDMP C[C@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)[C@H]1C[NH2+]CCO1 ZINC001170577368 768264212 /nfs/dbraw/zinc/26/42/12/768264212.db2.gz ZFFNTXJYUKMEBX-MEDUHNTESA-N 2 1 320.393 1.372 20 5 DDBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CC23C[NH2+]C3)c1F ZINC001246444822 892629172 /nfs/dbraw/zinc/62/91/72/892629172.db2.gz LWZCPPWOVNXYPA-NOZJJQNGSA-N 2 1 309.341 1.625 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)nc1 ZINC000420308527 420195883 /nfs/dbraw/zinc/19/58/83/420195883.db2.gz CUOUJDGEUJPWEE-CHWSQXEVSA-N 2 1 305.382 1.476 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442778360 420713750 /nfs/dbraw/zinc/71/37/50/420713750.db2.gz FZBSARZYGULONM-CHWSQXEVSA-N 2 1 320.393 1.901 20 5 DDBDMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130135399 281369194 /nfs/dbraw/zinc/36/91/94/281369194.db2.gz GTVPZKUMVAVMMM-BMFZPTHFSA-N 2 1 321.421 1.818 20 5 DDBDMP Cc1[nH+]ccn1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583079348 337236702 /nfs/dbraw/zinc/23/67/02/337236702.db2.gz PUFSOQKOVDZRQL-UHFFFAOYSA-N 2 1 317.349 1.718 20 5 DDBDMP COc1cc([N+](=O)[O-])cnc1NCC[N@H+](C)CCC[NH+](C)C ZINC000894520775 711161202 /nfs/dbraw/zinc/16/12/02/711161202.db2.gz FARQZUCVIHOCGT-UHFFFAOYSA-N 2 1 311.386 1.294 20 5 DDBDMP COc1cc([N+](=O)[O-])cnc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000894520775 711161204 /nfs/dbraw/zinc/16/12/04/711161204.db2.gz FARQZUCVIHOCGT-UHFFFAOYSA-N 2 1 311.386 1.294 20 5 DDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001168997112 762169468 /nfs/dbraw/zinc/16/94/68/762169468.db2.gz XUICQBTYDQSSRB-BZUAXINKSA-N 2 1 311.426 1.522 20 5 DDBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001168997112 762169474 /nfs/dbraw/zinc/16/94/74/762169474.db2.gz XUICQBTYDQSSRB-BZUAXINKSA-N 2 1 311.426 1.522 20 5 DDBDMP [NH3+]C[C@]1(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C[NH+]2CCC1CC2 ZINC001160512678 865898951 /nfs/dbraw/zinc/89/89/51/865898951.db2.gz DIKPNEAGDURQOL-HNNXBMFYSA-N 2 1 316.365 1.306 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246606871 892732430 /nfs/dbraw/zinc/73/24/30/892732430.db2.gz SPUFAHPDORJYJH-CQSZACIVSA-N 2 1 318.421 1.553 20 5 DDBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554612 185303130 /nfs/dbraw/zinc/30/31/30/185303130.db2.gz XKLIMMWUUVNKCH-UKRRQHHQSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554612 185303131 /nfs/dbraw/zinc/30/31/31/185303131.db2.gz XKLIMMWUUVNKCH-UKRRQHHQSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554612 185303132 /nfs/dbraw/zinc/30/31/32/185303132.db2.gz XKLIMMWUUVNKCH-UKRRQHHQSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554612 185303133 /nfs/dbraw/zinc/30/31/33/185303133.db2.gz XKLIMMWUUVNKCH-UKRRQHHQSA-N 2 1 322.409 1.419 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592983071 355762888 /nfs/dbraw/zinc/76/28/88/355762888.db2.gz PHCSGVWTPOCJSQ-KGLIPLIRSA-N 2 1 307.398 1.503 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000593739148 355982096 /nfs/dbraw/zinc/98/20/96/355982096.db2.gz YFQJKYHFMTZRJA-MCIONIFRSA-N 2 1 323.397 1.010 20 5 DDBDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000566115248 304119983 /nfs/dbraw/zinc/11/99/83/304119983.db2.gz IHSSANDHDBUBME-MGPQQGTHSA-N 2 1 323.393 1.407 20 5 DDBDMP [NH3+]CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000359277112 299391158 /nfs/dbraw/zinc/39/11/58/299391158.db2.gz NDMCHHVVWIGHIS-UHFFFAOYSA-N 2 1 303.366 1.642 20 5 DDBDMP [NH3+]CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000359277112 299391161 /nfs/dbraw/zinc/39/11/61/299391161.db2.gz NDMCHHVVWIGHIS-UHFFFAOYSA-N 2 1 303.366 1.642 20 5 DDBDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567042636 304193986 /nfs/dbraw/zinc/19/39/86/304193986.db2.gz PAZNFFIBOWHOIZ-ZDUSSCGKSA-N 2 1 320.349 1.129 20 5 DDBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000568871255 304317843 /nfs/dbraw/zinc/31/78/43/304317843.db2.gz DHBZBTBGYLRZLO-LBPRGKRZSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283891221 409234828 /nfs/dbraw/zinc/23/48/28/409234828.db2.gz COVNKIMKJCWNJM-GFCCVEGCSA-N 2 1 322.409 1.674 20 5 DDBDMP CN(CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000289388881 409260564 /nfs/dbraw/zinc/26/05/64/409260564.db2.gz JVDMKOOLSQGEAG-UHFFFAOYSA-N 2 1 308.426 1.910 20 5 DDBDMP O=C(CC[NH+]1CCC2(CC[NH2+]2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000422640895 227084553 /nfs/dbraw/zinc/08/45/53/227084553.db2.gz WIMKGROMBKLYJX-UHFFFAOYSA-N 2 1 318.377 1.751 20 5 DDBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430944808 420217651 /nfs/dbraw/zinc/21/76/51/420217651.db2.gz OBEBBAGNJMAEPX-LBPRGKRZSA-N 2 1 320.393 1.901 20 5 DDBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063901 420742400 /nfs/dbraw/zinc/74/24/00/420742400.db2.gz XISDSYYZYVVQII-STQMWFEESA-N 2 1 320.393 1.983 20 5 DDBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577686 271126315 /nfs/dbraw/zinc/12/63/15/271126315.db2.gz RYVFUWJXDHBKGM-KBPBESRZSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577686 271126318 /nfs/dbraw/zinc/12/63/18/271126318.db2.gz RYVFUWJXDHBKGM-KBPBESRZSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577686 271126321 /nfs/dbraw/zinc/12/63/21/271126321.db2.gz RYVFUWJXDHBKGM-KBPBESRZSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577686 271126323 /nfs/dbraw/zinc/12/63/23/271126323.db2.gz RYVFUWJXDHBKGM-KBPBESRZSA-N 2 1 322.409 1.561 20 5 DDBDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981752 704042021 /nfs/dbraw/zinc/04/20/21/704042021.db2.gz YFTGFRGSOQYMPU-CJNGLKHVSA-N 2 1 307.394 1.950 20 5 DDBDMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876964376 705941027 /nfs/dbraw/zinc/94/10/27/705941027.db2.gz YZOPFSNGDNMUSO-HSBZDZAISA-N 2 1 307.398 1.816 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886841648 708859289 /nfs/dbraw/zinc/85/92/89/708859289.db2.gz RLAJDBNPGDCLFN-QLFBSQMISA-N 2 1 320.393 1.851 20 5 DDBDMP Cn1cc(C[NH2+]CC2([NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904444304 711859545 /nfs/dbraw/zinc/85/95/45/711859545.db2.gz PZLCYNVXVSSCLN-UHFFFAOYSA-N 2 1 301.350 1.576 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923332692 714318289 /nfs/dbraw/zinc/31/82/89/714318289.db2.gz MCTBJKBPKNDNIE-ZBFHGGJFSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923332692 714318292 /nfs/dbraw/zinc/31/82/92/714318292.db2.gz MCTBJKBPKNDNIE-ZBFHGGJFSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001353238318 877208077 /nfs/dbraw/zinc/20/80/77/877208077.db2.gz FRNSFSCNRYWZTF-DOMZBBRYSA-N 2 1 302.334 1.429 20 5 DDBDMP O=[N+]([O-])c1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594496596 356237707 /nfs/dbraw/zinc/23/77/07/356237707.db2.gz PDUBKMGDSPZHMV-MRXNPFEDSA-N 2 1 319.405 1.980 20 5 DDBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107368938 407373853 /nfs/dbraw/zinc/37/38/53/407373853.db2.gz ZPFPJMPCDLSGPX-QGZVFWFLSA-N 2 1 318.421 1.807 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262151682 407754902 /nfs/dbraw/zinc/75/49/02/407754902.db2.gz RHRIKHXUXMMEHZ-MRXNPFEDSA-N 2 1 304.394 1.383 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246518874 408279746 /nfs/dbraw/zinc/27/97/46/408279746.db2.gz IPUKQCNMPHFQGS-ZFWWWQNUSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246518874 408279755 /nfs/dbraw/zinc/27/97/55/408279755.db2.gz IPUKQCNMPHFQGS-ZFWWWQNUSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246518874 408279763 /nfs/dbraw/zinc/27/97/63/408279763.db2.gz IPUKQCNMPHFQGS-ZFWWWQNUSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246518874 408279769 /nfs/dbraw/zinc/27/97/69/408279769.db2.gz IPUKQCNMPHFQGS-ZFWWWQNUSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423012364 227312371 /nfs/dbraw/zinc/31/23/71/227312371.db2.gz KNGFLZCDTPYVFV-BBWFWOEESA-N 2 1 319.405 1.884 20 5 DDBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414849438 419840322 /nfs/dbraw/zinc/84/03/22/419840322.db2.gz RDZCEQFAKJFAQO-WCQYABFASA-N 2 1 306.366 1.654 20 5 DDBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229575 419991513 /nfs/dbraw/zinc/99/15/13/419991513.db2.gz BOQYPDNMVQMQED-AAEUAGOBSA-N 2 1 306.366 1.654 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430594524 420151883 /nfs/dbraw/zinc/15/18/83/420151883.db2.gz ROOJYIVSFGDYOH-UHFFFAOYSA-N 2 1 322.365 1.213 20 5 DDBDMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877585535 706150311 /nfs/dbraw/zinc/15/03/11/706150311.db2.gz UQFJSNQONDGVSG-IYXRBSQSSA-N 2 1 307.398 1.816 20 5 DDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757302 711269783 /nfs/dbraw/zinc/26/97/83/711269783.db2.gz BVUIICPYZPHSRV-NVXWUHKLSA-N 2 1 319.405 1.838 20 5 DDBDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001170211462 766170622 /nfs/dbraw/zinc/17/06/22/766170622.db2.gz MEJYAGYMSVXDAS-UHFFFAOYSA-N 2 1 322.409 1.533 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ncc1[N+](=O)[O-] ZINC001155638171 862322905 /nfs/dbraw/zinc/32/29/05/862322905.db2.gz FYKXMXYVJBSRSO-JIPNVDSNSA-N 2 1 319.365 1.063 20 5 DDBDMP C[C@H](OCC[N+](C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224772684 881528406 /nfs/dbraw/zinc/52/84/06/881528406.db2.gz BPFBQZSDQDQDDC-FUHWJXTLSA-N 2 1 307.458 1.999 20 5 DDBDMP C[C@H](OCC[N+](C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224772684 881528422 /nfs/dbraw/zinc/52/84/22/881528422.db2.gz BPFBQZSDQDQDDC-FUHWJXTLSA-N 2 1 307.458 1.999 20 5 DDBDMP [NH3+]C[C@@]1(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C[NH+]2CCC1CC2 ZINC001160512681 865899254 /nfs/dbraw/zinc/89/92/54/865899254.db2.gz DIKPNEAGDURQOL-OAHLLOKOSA-N 2 1 316.365 1.306 20 5 DDBDMP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246205871 892480163 /nfs/dbraw/zinc/48/01/63/892480163.db2.gz ABUBQKCAZWFEHW-XQQFMLRXSA-N 2 1 315.414 1.471 20 5 DDBDMP Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000600736678 358301876 /nfs/dbraw/zinc/30/18/76/358301876.db2.gz ROZDVDPAYDWMLK-GFCCVEGCSA-N 2 1 324.381 1.137 20 5 DDBDMP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000600736678 358301877 /nfs/dbraw/zinc/30/18/77/358301877.db2.gz ROZDVDPAYDWMLK-GFCCVEGCSA-N 2 1 324.381 1.137 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422720925 533221970 /nfs/dbraw/zinc/22/19/70/533221970.db2.gz UFTMFVYNVCUXSD-LERXQTSPSA-N 2 1 309.366 1.445 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000260329612 407537295 /nfs/dbraw/zinc/53/72/95/407537295.db2.gz ASWNQAROEAYJTH-UHFFFAOYSA-N 2 1 306.366 1.512 20 5 DDBDMP COc1ccc(OCC[N@@H+](C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000430577529 420142759 /nfs/dbraw/zinc/14/27/59/420142759.db2.gz NYNXBNWTVYWHCY-UHFFFAOYSA-N 2 1 311.382 1.899 20 5 DDBDMP COc1ccc(NC(=O)CC[N@@H+](C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420330719 420214143 /nfs/dbraw/zinc/21/41/43/420214143.db2.gz LRNYUDQUKGAUPA-UHFFFAOYSA-N 2 1 322.365 1.354 20 5 DDBDMP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000841027963 702315849 /nfs/dbraw/zinc/31/58/49/702315849.db2.gz HVIRJFHOPAWWKQ-MRXNPFEDSA-N 2 1 304.394 1.891 20 5 DDBDMP CN(CC[N@H+](C)C1CC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870928105 704172355 /nfs/dbraw/zinc/17/23/55/704172355.db2.gz DXGVAHGXBNLCKV-INIZCTEOSA-N 2 1 320.393 1.321 20 5 DDBDMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870928105 704172358 /nfs/dbraw/zinc/17/23/58/704172358.db2.gz DXGVAHGXBNLCKV-INIZCTEOSA-N 2 1 320.393 1.321 20 5 DDBDMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)CCC1 ZINC000903813818 711289211 /nfs/dbraw/zinc/28/92/11/711289211.db2.gz ISANSSAZXPNXSK-ZDUSSCGKSA-N 2 1 307.398 1.775 20 5 DDBDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001152440118 863347305 /nfs/dbraw/zinc/34/73/05/863347305.db2.gz ZQVDCYJTXLGHOS-UHFFFAOYSA-N 2 1 308.382 1.141 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001161867273 867047239 /nfs/dbraw/zinc/04/72/39/867047239.db2.gz MZPDJCCMOQSKJJ-UHFFFAOYSA-N 2 1 316.365 1.373 20 5 DDBDMP C[N@@H+]1CCc2c(NC[C@@]34C[NH2+][C@@H](CO3)C4)ccc([N+](=O)[O-])c2C1 ZINC001163204177 868212832 /nfs/dbraw/zinc/21/28/32/868212832.db2.gz XEGBCXJNBMGDRL-BDJLRTHQSA-N 2 1 318.377 1.126 20 5 DDBDMP C[N@H+]1CCc2c(NC[C@@]34C[NH2+][C@@H](CO3)C4)ccc([N+](=O)[O-])c2C1 ZINC001163204177 868212846 /nfs/dbraw/zinc/21/28/46/868212846.db2.gz XEGBCXJNBMGDRL-BDJLRTHQSA-N 2 1 318.377 1.126 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616688 892738120 /nfs/dbraw/zinc/73/81/20/892738120.db2.gz CRRBIFUQMQNCCO-JQFCIGGWSA-N 2 1 318.421 1.552 20 5 DDBDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777762 359183984 /nfs/dbraw/zinc/18/39/84/359183984.db2.gz LAQUCIKKXCRBTD-CQSZACIVSA-N 2 1 309.414 1.763 20 5 DDBDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777762 359183986 /nfs/dbraw/zinc/18/39/86/359183986.db2.gz LAQUCIKKXCRBTD-CQSZACIVSA-N 2 1 309.414 1.763 20 5 DDBDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777762 359183988 /nfs/dbraw/zinc/18/39/88/359183988.db2.gz LAQUCIKKXCRBTD-CQSZACIVSA-N 2 1 309.414 1.763 20 5 DDBDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777762 359183992 /nfs/dbraw/zinc/18/39/92/359183992.db2.gz LAQUCIKKXCRBTD-CQSZACIVSA-N 2 1 309.414 1.763 20 5 DDBDMP Cc1noc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000602848433 359235182 /nfs/dbraw/zinc/23/51/82/359235182.db2.gz NKYMXPVLCDNJEB-UHFFFAOYSA-N 2 1 317.349 1.999 20 5 DDBDMP Cc1noc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000602848433 359235184 /nfs/dbraw/zinc/23/51/84/359235184.db2.gz NKYMXPVLCDNJEB-UHFFFAOYSA-N 2 1 317.349 1.999 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261807870 407623741 /nfs/dbraw/zinc/62/37/41/407623741.db2.gz OOECQZJXFXYRCG-MRXNPFEDSA-N 2 1 320.393 1.903 20 5 DDBDMP C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1n1ccnc1 ZINC000245563806 408017159 /nfs/dbraw/zinc/01/71/59/408017159.db2.gz DBNCRLPUSOSBBL-QWHCGFSZSA-N 2 1 304.354 1.571 20 5 DDBDMP C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285523354 409476864 /nfs/dbraw/zinc/47/68/64/409476864.db2.gz ONTRDWAMKBRDPV-NNQSOWQGSA-N 2 1 320.393 1.314 20 5 DDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285523354 409476869 /nfs/dbraw/zinc/47/68/69/409476869.db2.gz ONTRDWAMKBRDPV-NNQSOWQGSA-N 2 1 320.393 1.314 20 5 DDBDMP C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285523354 409476874 /nfs/dbraw/zinc/47/68/74/409476874.db2.gz ONTRDWAMKBRDPV-NNQSOWQGSA-N 2 1 320.393 1.314 20 5 DDBDMP C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285523354 409476879 /nfs/dbraw/zinc/47/68/79/409476879.db2.gz ONTRDWAMKBRDPV-NNQSOWQGSA-N 2 1 320.393 1.314 20 5 DDBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423282133 420002115 /nfs/dbraw/zinc/00/21/15/420002115.db2.gz UZEDRKKAKSXGPY-HZMBPMFUSA-N 2 1 306.366 1.639 20 5 DDBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000442776200 420714001 /nfs/dbraw/zinc/71/40/01/420714001.db2.gz BSYJACOOLZQXAA-RYUDHWBXSA-N 2 1 306.366 1.593 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261626996 274116253 /nfs/dbraw/zinc/11/62/53/274116253.db2.gz FBJFOODRHPQUIH-HNNXBMFYSA-N 2 1 309.366 1.653 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261626996 274116255 /nfs/dbraw/zinc/11/62/55/274116255.db2.gz FBJFOODRHPQUIH-HNNXBMFYSA-N 2 1 309.366 1.653 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886837832 708858526 /nfs/dbraw/zinc/85/85/26/708858526.db2.gz NZQRKDZAEWMRTC-KGLIPLIRSA-N 2 1 306.366 1.318 20 5 DDBDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000903490948 711146172 /nfs/dbraw/zinc/14/61/72/711146172.db2.gz OEIDWIZPFMGSDY-ZENOOKHLSA-N 2 1 319.361 1.307 20 5 DDBDMP C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1CC[NH3+] ZINC000903496087 711151288 /nfs/dbraw/zinc/15/12/88/711151288.db2.gz FBAFDQZKEBBZAH-CHWSQXEVSA-N 2 1 320.393 1.474 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903739893 711262474 /nfs/dbraw/zinc/26/24/74/711262474.db2.gz AXMSJKFAXPKWHH-KBPBESRZSA-N 2 1 319.409 1.866 20 5 DDBDMP O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)c1 ZINC000923369620 714330431 /nfs/dbraw/zinc/33/04/31/714330431.db2.gz LSDPJGXOWKBUFW-MRXNPFEDSA-N 2 1 317.389 1.938 20 5 DDBDMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1O2 ZINC001336733204 869115502 /nfs/dbraw/zinc/11/55/02/869115502.db2.gz KQBLOOAKHDJKJC-CQSZACIVSA-N 2 1 305.378 1.841 20 5 DDBDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000569833428 304381051 /nfs/dbraw/zinc/38/10/51/304381051.db2.gz HUJQMZAGXXFPTK-ZIAGYGMSSA-N 2 1 318.381 1.841 20 5 DDBDMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420295097 279148696 /nfs/dbraw/zinc/14/86/96/279148696.db2.gz UUOCSXYNIYUJML-HNNXBMFYSA-N 2 1 306.366 1.640 20 5 DDBDMP C[C@@H]([NH3+])C[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000863567469 705960090 /nfs/dbraw/zinc/96/00/90/705960090.db2.gz CVLLAPLOUQBCKO-SNVBAGLBSA-N 2 1 308.338 1.172 20 5 DDBDMP C[C@@H]([NH3+])C[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000863567469 705960091 /nfs/dbraw/zinc/96/00/91/705960091.db2.gz CVLLAPLOUQBCKO-SNVBAGLBSA-N 2 1 308.338 1.172 20 5 DDBDMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877654214 706171392 /nfs/dbraw/zinc/17/13/92/706171392.db2.gz WTOSNECHGRFQPG-IYXRBSQSSA-N 2 1 307.398 1.816 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923372389 714332328 /nfs/dbraw/zinc/33/23/28/714332328.db2.gz GKRKOWJOVWLTAD-MRXNPFEDSA-N 2 1 317.389 1.938 20 5 DDBDMP O=C(Cc1cnc[nH]1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001167355549 733282080 /nfs/dbraw/zinc/28/20/80/733282080.db2.gz OYPWGVLPCGQOOD-UHFFFAOYSA-N 2 1 317.349 1.157 20 5 DDBDMP CC[NH+](CC)CCNC(=[NH2+])Nc1nccc(Cl)c1[N+](=O)[O-] ZINC001163122399 868125566 /nfs/dbraw/zinc/12/55/66/868125566.db2.gz JAZLWBXWXNVBQW-UHFFFAOYSA-N 2 1 314.777 1.921 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859549 892947654 /nfs/dbraw/zinc/94/76/54/892947654.db2.gz LFPFGSWILVNELD-ILMGOGQSSA-N 2 1 305.378 1.431 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000593739149 355982081 /nfs/dbraw/zinc/98/20/81/355982081.db2.gz YFQJKYHFMTZRJA-MGPQQGTHSA-N 2 1 323.397 1.010 20 5 DDBDMP C[NH2+]CCOCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000600727336 358297642 /nfs/dbraw/zinc/29/76/42/358297642.db2.gz LKXSTCMFIINXQB-UHFFFAOYSA-N 2 1 308.338 1.404 20 5 DDBDMP C[NH2+]CCOCC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000600727336 358297645 /nfs/dbraw/zinc/29/76/45/358297645.db2.gz LKXSTCMFIINXQB-UHFFFAOYSA-N 2 1 308.338 1.404 20 5 DDBDMP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601134275 358416049 /nfs/dbraw/zinc/41/60/49/358416049.db2.gz DRCGTYFMEYKDKE-OAHLLOKOSA-N 2 1 304.350 1.289 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000602796688 359197417 /nfs/dbraw/zinc/19/74/17/359197417.db2.gz RQBIHTCYCTVGNH-LBPRGKRZSA-N 2 1 304.354 1.323 20 5 DDBDMP C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989708 359341920 /nfs/dbraw/zinc/34/19/20/359341920.db2.gz ZZPDNXDYWNKYMS-ZDUSSCGKSA-N 2 1 320.393 1.362 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431402 359636328 /nfs/dbraw/zinc/63/63/28/359636328.db2.gz WTRWYUQXPPVKMW-UBHSHLNASA-N 2 1 323.397 1.047 20 5 DDBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415146363 419965544 /nfs/dbraw/zinc/96/55/44/419965544.db2.gz YJPOIJRTXGLPCC-UHFFFAOYSA-N 2 1 309.366 1.279 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000420310073 420198912 /nfs/dbraw/zinc/19/89/12/420198912.db2.gz LZZJSIOANACRHG-AWEZNQCLSA-N 2 1 320.393 1.997 20 5 DDBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430573987 420144124 /nfs/dbraw/zinc/14/41/24/420144124.db2.gz RRAIQXGFJNZFBM-STQMWFEESA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000846709024 703322270 /nfs/dbraw/zinc/32/22/70/703322270.db2.gz XWOTVLNTZIQZBE-MNOVXSKESA-N 2 1 324.356 1.874 20 5 DDBDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981753 704041583 /nfs/dbraw/zinc/04/15/83/704041583.db2.gz YFTGFRGSOQYMPU-CZUORRHYSA-N 2 1 307.394 1.950 20 5 DDBDMP C[NH+](C)C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870928362 704172099 /nfs/dbraw/zinc/17/20/99/704172099.db2.gz FEHZBXCNWLIDLK-MLGOLLRUSA-N 2 1 320.393 1.179 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000876909441 705919220 /nfs/dbraw/zinc/91/92/20/705919220.db2.gz YWEKBBAJOLEASF-UHFFFAOYSA-N 2 1 305.382 1.711 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000876935840 705929835 /nfs/dbraw/zinc/92/98/35/705929835.db2.gz RSPZKJAHXJSICT-CXTZMWEQSA-N 2 1 305.382 1.711 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000876935840 705929837 /nfs/dbraw/zinc/92/98/37/705929837.db2.gz RSPZKJAHXJSICT-CXTZMWEQSA-N 2 1 305.382 1.711 20 5 DDBDMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877585532 706150108 /nfs/dbraw/zinc/15/01/08/706150108.db2.gz UQFJSNQONDGVSG-HSBZDZAISA-N 2 1 307.398 1.816 20 5 DDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC000902469016 710763503 /nfs/dbraw/zinc/76/35/03/710763503.db2.gz NOAIUIDKPKGYHQ-VJTDZRGJSA-N 2 1 305.382 1.758 20 5 DDBDMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281114 714295703 /nfs/dbraw/zinc/29/57/03/714295703.db2.gz DTGMELIDBOCADU-ZFWWWQNUSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281114 714295705 /nfs/dbraw/zinc/29/57/05/714295705.db2.gz DTGMELIDBOCADU-ZFWWWQNUSA-N 2 1 323.393 1.266 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C2CC2)cc1 ZINC000923372388 714332245 /nfs/dbraw/zinc/33/22/45/714332245.db2.gz GKRKOWJOVWLTAD-INIZCTEOSA-N 2 1 317.389 1.938 20 5 DDBDMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000923486958 714373218 /nfs/dbraw/zinc/37/32/18/714373218.db2.gz VXZNRJZMCIIWOF-GFCCVEGCSA-N 2 1 318.377 1.155 20 5 DDBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001168997111 762170201 /nfs/dbraw/zinc/17/02/01/762170201.db2.gz XUICQBTYDQSSRB-ARFHVFGLSA-N 2 1 311.426 1.522 20 5 DDBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001168997111 762170203 /nfs/dbraw/zinc/17/02/03/762170203.db2.gz XUICQBTYDQSSRB-ARFHVFGLSA-N 2 1 311.426 1.522 20 5 DDBDMP COc1ccc(C[C@@H](C)[NH+]2CCN(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170308150 766259383 /nfs/dbraw/zinc/25/93/83/766259383.db2.gz LHYWJDMUBQSMRK-CYBMUJFWSA-N 2 1 322.409 1.111 20 5 DDBDMP [NH3+][C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465850 896453859 /nfs/dbraw/zinc/45/38/59/896453859.db2.gz NLAKOBHVRNZBHZ-ZDUSSCGKSA-N 2 1 304.394 1.987 20 5 DDBDMP [NH3+][C@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465850 896453870 /nfs/dbraw/zinc/45/38/70/896453870.db2.gz NLAKOBHVRNZBHZ-ZDUSSCGKSA-N 2 1 304.394 1.987 20 5 DDBDMP Cn1c[nH+]cc1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962520 359324917 /nfs/dbraw/zinc/32/49/17/359324917.db2.gz LPFOBNCXCUNODW-OAHLLOKOSA-N 2 1 304.350 1.368 20 5 DDBDMP Cn1cc(C[NH2+]CC2([NH3+])CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414885192 419859390 /nfs/dbraw/zinc/85/93/90/419859390.db2.gz WPKAZGCZQDEVGQ-UHFFFAOYSA-N 2 1 315.377 1.966 20 5 DDBDMP Cn1c[nH+]cc1CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575427243 308277191 /nfs/dbraw/zinc/27/71/91/308277191.db2.gz NQEYIQIAXCMKAV-UHFFFAOYSA-N 2 1 301.350 1.714 20 5 DDBDMP Cn1c[nH+]cc1CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575427243 308277192 /nfs/dbraw/zinc/27/71/92/308277192.db2.gz NQEYIQIAXCMKAV-UHFFFAOYSA-N 2 1 301.350 1.714 20 5 DDBDMP C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000923335927 714319644 /nfs/dbraw/zinc/31/96/44/714319644.db2.gz SGXPIPUFIDIMDB-KGLIPLIRSA-N 2 1 323.393 1.408 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371047 714331542 /nfs/dbraw/zinc/33/15/42/714331542.db2.gz URIYHHQVQCWIBF-JXFSHQFZSA-N 2 1 323.393 1.311 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3c[nH+]cn3C2)c1 ZINC001335889540 868598767 /nfs/dbraw/zinc/59/87/67/868598767.db2.gz FNXPQUZHJJAOFB-WFASDCNBSA-N 2 1 302.334 1.429 20 5 DDBDMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1O ZINC001246578382 892711076 /nfs/dbraw/zinc/71/10/76/892711076.db2.gz BNXMRBSWHQXUTG-DZKIICNBSA-N 2 1 305.378 1.094 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472262 355592545 /nfs/dbraw/zinc/59/25/45/355592545.db2.gz PLGMWZAPRUGUOQ-AWEZNQCLSA-N 2 1 306.410 1.801 20 5 DDBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592428421 355580106 /nfs/dbraw/zinc/58/01/06/355580106.db2.gz KNTBQUHALOOHSS-UHFFFAOYSA-N 2 1 322.409 1.331 20 5 DDBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592428421 355580108 /nfs/dbraw/zinc/58/01/08/355580108.db2.gz KNTBQUHALOOHSS-UHFFFAOYSA-N 2 1 322.409 1.331 20 5 DDBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596108933 356775169 /nfs/dbraw/zinc/77/51/69/356775169.db2.gz QOFABQBAZVRNBW-FZWSLVFFSA-N 2 1 318.377 1.654 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000600735711 358301822 /nfs/dbraw/zinc/30/18/22/358301822.db2.gz NTMWLHSNJBYRKH-UHFFFAOYSA-N 2 1 324.381 1.139 20 5 DDBDMP Cc1[nH+]ccn1CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963507 359326651 /nfs/dbraw/zinc/32/66/51/359326651.db2.gz WZOIEITUECSGHU-INIZCTEOSA-N 2 1 318.377 1.987 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000603429045 359635098 /nfs/dbraw/zinc/63/50/98/359635098.db2.gz LIJUMOIRINNHBR-CYBMUJFWSA-N 2 1 307.398 1.540 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000414796099 224396470 /nfs/dbraw/zinc/39/64/70/224396470.db2.gz XFASSKVHIBTAQZ-OCCSQVGLSA-N 2 1 311.407 1.985 20 5 DDBDMP Cc1c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261643517 407565944 /nfs/dbraw/zinc/56/59/44/407565944.db2.gz DOFDTFVXJQWJBS-CQSZACIVSA-N 2 1 320.393 1.190 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442761769 420709351 /nfs/dbraw/zinc/70/93/51/420709351.db2.gz YPYDSMJOHYAEEH-OLZOCXBDSA-N 2 1 320.393 1.901 20 5 DDBDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842479418 702726064 /nfs/dbraw/zinc/72/60/64/702726064.db2.gz RUPFFHZWFRCOOH-UHFFFAOYSA-N 2 1 312.345 1.604 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000876935842 705929877 /nfs/dbraw/zinc/92/98/77/705929877.db2.gz RSPZKJAHXJSICT-FWIFWCIWSA-N 2 1 305.382 1.711 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000876935842 705929882 /nfs/dbraw/zinc/92/98/82/705929882.db2.gz RSPZKJAHXJSICT-FWIFWCIWSA-N 2 1 305.382 1.711 20 5 DDBDMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877577684 706147631 /nfs/dbraw/zinc/14/76/31/706147631.db2.gz YVPHIESJNAYOSY-UHFFFAOYSA-N 2 1 307.398 1.959 20 5 DDBDMP CC1(C)CCC[N@H+]1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877577684 706147632 /nfs/dbraw/zinc/14/76/32/706147632.db2.gz YVPHIESJNAYOSY-UHFFFAOYSA-N 2 1 307.398 1.959 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903883551 711315834 /nfs/dbraw/zinc/31/58/34/711315834.db2.gz XPQZZZVGMWKXRQ-CYBMUJFWSA-N 2 1 303.362 1.331 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903883551 711315836 /nfs/dbraw/zinc/31/58/36/711315836.db2.gz XPQZZZVGMWKXRQ-CYBMUJFWSA-N 2 1 303.362 1.331 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331247 714317772 /nfs/dbraw/zinc/31/77/72/714317772.db2.gz FFFHOWRLNVERBK-CZUORRHYSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331247 714317775 /nfs/dbraw/zinc/31/77/75/714317775.db2.gz FFFHOWRLNVERBK-CZUORRHYSA-N 2 1 321.377 1.020 20 5 DDBDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001148570440 773529973 /nfs/dbraw/zinc/52/99/73/773529973.db2.gz DRPIGVPHWONPIJ-UHFFFAOYSA-N 2 1 322.409 1.533 20 5 DDBDMP [NH3+]C[C@@]1(Nc2cc([N+](=O)[O-])cc(Cl)n2)C[NH+]2CCC1CC2 ZINC001160508717 865890975 /nfs/dbraw/zinc/89/09/75/865890975.db2.gz JHQBKFYSRYZHHW-CYBMUJFWSA-N 2 1 311.773 1.478 20 5 DDBDMP COc1ccc(C[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+])c([N+](=O)[O-])c1 ZINC001246452293 892635282 /nfs/dbraw/zinc/63/52/82/892635282.db2.gz JQRMMLHTYPEQCZ-CYBMUJFWSA-N 3 1 324.425 1.453 20 5 DDBDMP CC[NH+](CC)CC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602440458 358978220 /nfs/dbraw/zinc/97/82/20/358978220.db2.gz PCRFESSGEWPSLB-UHFFFAOYSA-N 2 1 309.414 1.882 20 5 DDBDMP C[N@H+](C[C@@H](O)C[NH2+]CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120569876 782027559 /nfs/dbraw/zinc/02/75/59/782027559.db2.gz LGYHYTVYHLCQGT-ZDUSSCGKSA-N 2 1 308.382 1.051 20 5 DDBDMP C[N@@H+](C[C@@H](O)C[NH2+]CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120569876 782027568 /nfs/dbraw/zinc/02/75/68/782027568.db2.gz LGYHYTVYHLCQGT-ZDUSSCGKSA-N 2 1 308.382 1.051 20 5 DDBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443078023 420742774 /nfs/dbraw/zinc/74/27/74/420742774.db2.gz VVVDAVACYRRMRL-QWHCGFSZSA-N 2 1 320.393 1.983 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442761771 420709012 /nfs/dbraw/zinc/70/90/12/420709012.db2.gz YPYDSMJOHYAEEH-QWHCGFSZSA-N 2 1 320.393 1.901 20 5 DDBDMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000443062706 420740710 /nfs/dbraw/zinc/74/07/10/420740710.db2.gz VCXVVPCQWNQHNM-ZDUSSCGKSA-N 2 1 320.393 1.984 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000843061135 702810539 /nfs/dbraw/zinc/81/05/39/702810539.db2.gz AAJPSUNNQKQVQC-INIZCTEOSA-N 2 1 323.393 1.065 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886839774 708858825 /nfs/dbraw/zinc/85/88/25/708858825.db2.gz LVBXBWGPVGWLNV-BPLDGKMQSA-N 2 1 320.393 1.708 20 5 DDBDMP CCO[C@@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C[NH+](C)C ZINC000896108558 711677363 /nfs/dbraw/zinc/67/73/63/711677363.db2.gz HGGZXSWOOYCAKC-ZDUSSCGKSA-N 2 1 318.377 1.944 20 5 DDBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000904404929 711853678 /nfs/dbraw/zinc/85/36/78/711853678.db2.gz BJJSQXSJNKMFRV-NSHDSACASA-N 2 1 307.350 1.537 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371046 714331742 /nfs/dbraw/zinc/33/17/42/714331742.db2.gz URIYHHQVQCWIBF-FOCJUVANSA-N 2 1 323.393 1.311 20 5 DDBDMP O=C(CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000923518332 714387665 /nfs/dbraw/zinc/38/76/65/714387665.db2.gz KWRNBRLIQVFBTG-QWHCGFSZSA-N 2 1 318.377 1.465 20 5 DDBDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001171758336 776447649 /nfs/dbraw/zinc/44/76/49/776447649.db2.gz YAHNXSLVHSHXKB-UHFFFAOYSA-N 2 1 322.409 1.533 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC001327863867 862524135 /nfs/dbraw/zinc/52/41/35/862524135.db2.gz JVPRZNIRYYQNEO-OLZOCXBDSA-N 2 1 305.382 1.476 20 5 DDBDMP C[C@@H]1[C@@H]([NH3+])CCCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001157747578 864098661 /nfs/dbraw/zinc/09/86/61/864098661.db2.gz UZYRYOBBGFYMPA-FXSSULRXSA-N 2 1 305.382 1.838 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001161867443 867047420 /nfs/dbraw/zinc/04/74/20/867047420.db2.gz HPXNWLHJEFTKJV-UHFFFAOYSA-N 2 1 304.354 1.306 20 5 DDBDMP [NH3+]CCC[NH2+]CCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246453920 892635187 /nfs/dbraw/zinc/63/51/87/892635187.db2.gz RATZSCFBGFZVGP-MRXNPFEDSA-N 3 1 320.437 1.760 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)C2 ZINC001246608210 892735095 /nfs/dbraw/zinc/73/50/95/892735095.db2.gz YAIPCBBJVBSRGW-MRXNPFEDSA-N 2 1 316.405 1.089 20 5 DDBDMP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261818993 407624305 /nfs/dbraw/zinc/62/43/05/407624305.db2.gz HFCPXORFWQMPAC-YUTCNCBUSA-N 2 1 318.377 1.253 20 5 DDBDMP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261818993 407624309 /nfs/dbraw/zinc/62/43/09/407624309.db2.gz HFCPXORFWQMPAC-YUTCNCBUSA-N 2 1 318.377 1.253 20 5 DDBDMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000360535656 418458332 /nfs/dbraw/zinc/45/83/32/418458332.db2.gz QPKGCKMRQVLDPG-MRXNPFEDSA-N 2 1 318.377 1.609 20 5 DDBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423012365 227311547 /nfs/dbraw/zinc/31/15/47/227311547.db2.gz KNGFLZCDTPYVFV-BRWVUGGUSA-N 2 1 319.405 1.884 20 5 DDBDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423038566 227324996 /nfs/dbraw/zinc/32/49/96/227324996.db2.gz OMGSLKVDBCJGQN-GHMZBOCLSA-N 2 1 315.395 1.084 20 5 DDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430929006 420210325 /nfs/dbraw/zinc/21/03/25/420210325.db2.gz MOGXUJSCGSPVSV-NSHDSACASA-N 2 1 322.365 1.213 20 5 DDBDMP C[NH2+]C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000430936484 420215294 /nfs/dbraw/zinc/21/52/94/420215294.db2.gz YWGOVBSHYLXAQG-UHFFFAOYSA-N 2 1 320.393 1.916 20 5 DDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430641446 420167793 /nfs/dbraw/zinc/16/77/93/420167793.db2.gz TVZAUVRXCKMVEW-ZDUSSCGKSA-N 2 1 320.393 1.855 20 5 DDBDMP C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC([NH3+])C1 ZINC000420340240 420221165 /nfs/dbraw/zinc/22/11/65/420221165.db2.gz TXFAXRYBDSJVRH-UHFFFAOYSA-N 2 1 320.349 1.314 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430968652 420228906 /nfs/dbraw/zinc/22/89/06/420228906.db2.gz ZBPRHLPXLTZDCY-LBPRGKRZSA-N 2 1 320.393 1.901 20 5 DDBDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1(C)C ZINC000441372715 420649116 /nfs/dbraw/zinc/64/91/16/420649116.db2.gz QCDOUNCIXLIWJZ-UHFFFAOYSA-N 2 1 324.400 1.850 20 5 DDBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414798991 533689944 /nfs/dbraw/zinc/68/99/44/533689944.db2.gz CXHDBHARIOVZSI-YGRLFVJLSA-N 2 1 306.366 1.639 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000818963293 704035904 /nfs/dbraw/zinc/03/59/04/704035904.db2.gz NTSXJOWQFLYJAS-IIAWOOMASA-N 2 1 305.378 1.845 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000818963293 704035909 /nfs/dbraw/zinc/03/59/09/704035909.db2.gz NTSXJOWQFLYJAS-IIAWOOMASA-N 2 1 305.378 1.845 20 5 DDBDMP C[NH+](C)C1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870852470 704145201 /nfs/dbraw/zinc/14/52/01/704145201.db2.gz GHZQWNMKQMVEFF-INIZCTEOSA-N 2 1 320.393 1.321 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549450 706424657 /nfs/dbraw/zinc/42/46/57/706424657.db2.gz KRFVCJCZFLDKAE-UHFFFAOYSA-N 2 1 321.425 1.908 20 5 DDBDMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168988034 762180374 /nfs/dbraw/zinc/18/03/74/762180374.db2.gz MSVPUEZDAHGEQK-KBPBESRZSA-N 3 1 314.474 1.907 20 5 DDBDMP Cc1nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155364324 861997168 /nfs/dbraw/zinc/99/71/68/861997168.db2.gz YAQLQFIKESAOMP-ZDUSSCGKSA-N 2 1 305.382 1.158 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c([N+](=O)[O-])n1 ZINC001331757299 865299313 /nfs/dbraw/zinc/29/93/13/865299313.db2.gz NCROMEIXUDEOBG-GFCCVEGCSA-N 2 1 318.381 1.517 20 5 DDBDMP Cn1cc(CN2CCC[C@H](Cc3nccn3C)C2)c([N+](=O)[O-])n1 ZINC001331757299 865299323 /nfs/dbraw/zinc/29/93/23/865299323.db2.gz NCROMEIXUDEOBG-GFCCVEGCSA-N 2 1 318.381 1.517 20 5 DDBDMP C[NH+](C)/C=C\c1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165147390 869408148 /nfs/dbraw/zinc/40/81/48/869408148.db2.gz FKAQKHXNOFFWIL-XTBPLBNGSA-N 2 1 317.393 1.520 20 5 DDBDMP C[NH+](C)/C=C\c1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165147390 869408155 /nfs/dbraw/zinc/40/81/55/869408155.db2.gz FKAQKHXNOFFWIL-XTBPLBNGSA-N 2 1 317.393 1.520 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246544781 892688096 /nfs/dbraw/zinc/68/80/96/892688096.db2.gz SURXWCAZKCOYSV-XJKSGUPXSA-N 2 1 307.394 1.702 20 5 DDBDMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489471 355598400 /nfs/dbraw/zinc/59/84/00/355598400.db2.gz VZXGULYJPXEOMU-WFASDCNBSA-N 2 1 320.393 1.983 20 5 DDBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602446783 358982334 /nfs/dbraw/zinc/98/23/34/358982334.db2.gz AVBGTKYOCCSVBW-UHFFFAOYSA-N 2 1 309.414 1.881 20 5 DDBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602446783 358982336 /nfs/dbraw/zinc/98/23/36/358982336.db2.gz AVBGTKYOCCSVBW-UHFFFAOYSA-N 2 1 309.414 1.881 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000176267082 408325899 /nfs/dbraw/zinc/32/58/99/408325899.db2.gz PEQSENMIMZMMRF-CQSZACIVSA-N 2 1 307.398 1.599 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000176267082 408325905 /nfs/dbraw/zinc/32/59/05/408325905.db2.gz PEQSENMIMZMMRF-CQSZACIVSA-N 2 1 307.398 1.599 20 5 DDBDMP COc1ccc(OCC[NH2+][C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000430562467 420137903 /nfs/dbraw/zinc/13/79/03/420137903.db2.gz RMYGMIGXXZPZGK-HNNXBMFYSA-N 2 1 309.366 1.699 20 5 DDBDMP C[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430929542 420210391 /nfs/dbraw/zinc/21/03/91/420210391.db2.gz OZWSCIFLHUFVPQ-UHFFFAOYSA-N 2 1 306.366 1.607 20 5 DDBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063895 420742378 /nfs/dbraw/zinc/74/23/78/420742378.db2.gz XISDSYYZYVVQII-CHWSQXEVSA-N 2 1 320.393 1.983 20 5 DDBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000923330842 714316988 /nfs/dbraw/zinc/31/69/88/714316988.db2.gz CJSDOWYUUOJWJF-MIGQKNRLSA-N 2 1 305.378 1.687 20 5 DDBDMP [NH3+]CC[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000923481781 714370083 /nfs/dbraw/zinc/37/00/83/714370083.db2.gz LOPMASGGSAWMTA-SWLSCSKDSA-N 2 1 318.377 1.371 20 5 DDBDMP [NH3+]C[C@]1(Nc2cc(Cl)cc([N+](=O)[O-])n2)C[NH+]2CCC1CC2 ZINC001160512178 865896403 /nfs/dbraw/zinc/89/64/03/865896403.db2.gz SZXKPTIGOCSTGC-ZDUSSCGKSA-N 2 1 311.773 1.478 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000449090841 296006874 /nfs/dbraw/zinc/00/68/74/296006874.db2.gz HQIFOLDDSJBVQI-AWEZNQCLSA-N 2 1 321.421 1.962 20 5 DDBDMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000415122365 419954456 /nfs/dbraw/zinc/95/44/56/419954456.db2.gz IFIBBJGSHYNXIU-CQSZACIVSA-N 2 1 316.365 1.482 20 5 DDBDMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420328730 420212014 /nfs/dbraw/zinc/21/20/14/420212014.db2.gz MXDIODHGKQLLPH-HNNXBMFYSA-N 2 1 319.405 1.825 20 5 DDBDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430940742 420217370 /nfs/dbraw/zinc/21/73/70/420217370.db2.gz QVIWFIOZHAPQQT-NWDGAFQWSA-N 2 1 306.366 1.593 20 5 DDBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577688 271126183 /nfs/dbraw/zinc/12/61/83/271126183.db2.gz RYVFUWJXDHBKGM-UONOGXRCSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577688 271126185 /nfs/dbraw/zinc/12/61/85/271126185.db2.gz RYVFUWJXDHBKGM-UONOGXRCSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577688 271126187 /nfs/dbraw/zinc/12/61/87/271126187.db2.gz RYVFUWJXDHBKGM-UONOGXRCSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000341577688 271126189 /nfs/dbraw/zinc/12/61/89/271126189.db2.gz RYVFUWJXDHBKGM-UONOGXRCSA-N 2 1 322.409 1.561 20 5 DDBDMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903426871 711122744 /nfs/dbraw/zinc/12/27/44/711122744.db2.gz RCEDAUUOJLCFMR-KGLIPLIRSA-N 2 1 304.394 1.572 20 5 DDBDMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000903445370 711129368 /nfs/dbraw/zinc/12/93/68/711129368.db2.gz JHTWEGXRXSBLSJ-XQQFMLRXSA-N 2 1 305.382 1.603 20 5 DDBDMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169023707 762200524 /nfs/dbraw/zinc/20/05/24/762200524.db2.gz PUTAORSXNHZTNF-CHWSQXEVSA-N 2 1 310.398 1.562 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001173221626 777054428 /nfs/dbraw/zinc/05/44/28/777054428.db2.gz OENSAIYDLBKBPL-CXAGYDPISA-N 2 1 318.421 1.539 20 5 DDBDMP C[C@@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@H]1C[NH2+]CCO1 ZINC001159499416 865354942 /nfs/dbraw/zinc/35/49/42/865354942.db2.gz PXUDDCGYDIRBIR-JDRNFJBZSA-N 2 1 321.381 1.311 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)ncc1[N+](=O)[O-] ZINC001162798734 867831696 /nfs/dbraw/zinc/83/16/96/867831696.db2.gz UMYKEWIYQUZRII-NXSDAKDHSA-N 2 1 315.377 1.708 20 5 DDBDMP C[N@H+]1CCc2c(cccc2OC(=O)C[C@@H](O)C[N+](C)(C)C)C1 ZINC001234419689 887955556 /nfs/dbraw/zinc/95/55/56/887955556.db2.gz COSQHWANAWKAHO-CQSZACIVSA-N 2 1 307.414 1.037 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[NH2+]C[C@H]1CO)CC2 ZINC001246305837 892530185 /nfs/dbraw/zinc/53/01/85/892530185.db2.gz JSKFINLCYZSRJU-LZWOXQAQSA-N 2 1 305.378 1.012 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001254539899 896494318 /nfs/dbraw/zinc/49/43/18/896494318.db2.gz LPFJFFAUAJNCLZ-HNNXBMFYSA-N 2 1 320.437 1.753 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592983073 355762676 /nfs/dbraw/zinc/76/26/76/355762676.db2.gz PHCSGVWTPOCJSQ-ZIAGYGMSSA-N 2 1 307.398 1.503 20 5 DDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000351495711 284344205 /nfs/dbraw/zinc/34/42/05/284344205.db2.gz PYRQOGOCZUZIBL-TUKIKUTGSA-N 2 1 318.377 1.593 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085336 409861674 /nfs/dbraw/zinc/86/16/74/409861674.db2.gz SJXPOLMLWOOTEW-CHWSQXEVSA-N 2 1 318.377 1.465 20 5 DDBDMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085336 409861682 /nfs/dbraw/zinc/86/16/82/409861682.db2.gz SJXPOLMLWOOTEW-CHWSQXEVSA-N 2 1 318.377 1.465 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430633676 420163851 /nfs/dbraw/zinc/16/38/51/420163851.db2.gz AJPQLPDSMDZYHE-CYBMUJFWSA-N 2 1 320.393 1.903 20 5 DDBDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420392976 420258826 /nfs/dbraw/zinc/25/88/26/420258826.db2.gz WUIRUWWZCKRJER-UHFFFAOYSA-N 2 1 324.381 1.473 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443054758 229986443 /nfs/dbraw/zinc/98/64/43/229986443.db2.gz AASGDTYZHGIQNX-CYBMUJFWSA-N 2 1 320.393 1.903 20 5 DDBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001120599255 782047480 /nfs/dbraw/zinc/04/74/80/782047480.db2.gz JAOBLRPKSVUMAA-IUODEOHRSA-N 2 1 302.334 1.429 20 5 DDBDMP C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000819221258 704089146 /nfs/dbraw/zinc/08/91/46/704089146.db2.gz WIAPYHXUMKBUGZ-WBMJQRKESA-N 2 1 305.378 1.868 20 5 DDBDMP CC[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCC1 ZINC000876927281 705927221 /nfs/dbraw/zinc/92/72/21/705927221.db2.gz XSOKRSIZYIKNNY-ROKHWSDSSA-N 2 1 307.398 1.959 20 5 DDBDMP C[N@@H+](CCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000877577179 706147939 /nfs/dbraw/zinc/14/79/39/706147939.db2.gz BFRCRZJYZNPEFO-UHFFFAOYSA-N 2 1 307.398 1.959 20 5 DDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC000902469013 710763788 /nfs/dbraw/zinc/76/37/88/710763788.db2.gz NOAIUIDKPKGYHQ-MEBFFEOJSA-N 2 1 305.382 1.758 20 5 DDBDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025097 762202220 /nfs/dbraw/zinc/20/22/20/762202220.db2.gz SJDNYDMBMBWQBU-FXUDXRNXSA-N 2 1 310.442 1.142 20 5 DDBDMP [NH2+]=C(NCCCC[NH3+])Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001157094177 764409302 /nfs/dbraw/zinc/40/93/02/764409302.db2.gz LZAIHNVFGRXLRR-UHFFFAOYSA-N 2 1 321.168 1.972 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC001327863871 862524313 /nfs/dbraw/zinc/52/43/13/862524313.db2.gz JVPRZNIRYYQNEO-STQMWFEESA-N 2 1 305.382 1.476 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246631625 892753429 /nfs/dbraw/zinc/75/34/29/892753429.db2.gz RTGQVJFLFUBEHC-CJNGLKHVSA-N 2 1 304.394 1.163 20 5 DDBDMP O=[N+]([O-])c1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594496595 356237712 /nfs/dbraw/zinc/23/77/12/356237712.db2.gz PDUBKMGDSPZHMV-INIZCTEOSA-N 2 1 319.405 1.980 20 5 DDBDMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001120507876 781992632 /nfs/dbraw/zinc/99/26/32/781992632.db2.gz MCCBQCXNOWAOSR-BBRMVZONSA-N 2 1 307.394 1.950 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246556316 408288987 /nfs/dbraw/zinc/28/89/87/408288987.db2.gz KSAGSJCWHRTRND-BBRMVZONSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246556316 408288992 /nfs/dbraw/zinc/28/89/92/408288992.db2.gz KSAGSJCWHRTRND-BBRMVZONSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246556316 408288995 /nfs/dbraw/zinc/28/89/95/408288995.db2.gz KSAGSJCWHRTRND-BBRMVZONSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246556316 408289000 /nfs/dbraw/zinc/28/90/00/408289000.db2.gz KSAGSJCWHRTRND-BBRMVZONSA-N 2 1 319.409 1.740 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351851638 410290520 /nfs/dbraw/zinc/29/05/20/410290520.db2.gz LRHNAMISFYWDLD-OLZOCXBDSA-N 2 1 320.393 1.901 20 5 DDBDMP C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)C[NH3+] ZINC000415057990 419925099 /nfs/dbraw/zinc/92/50/99/419925099.db2.gz QTWXXCUYWSMXNS-CYBMUJFWSA-N 2 1 305.334 1.606 20 5 DDBDMP C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)C[NH3+] ZINC000415057990 419925106 /nfs/dbraw/zinc/92/51/06/419925106.db2.gz QTWXXCUYWSMXNS-CYBMUJFWSA-N 2 1 305.334 1.606 20 5 DDBDMP O=[N+]([O-])c1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415058487 419926326 /nfs/dbraw/zinc/92/63/26/419926326.db2.gz SYKHUVRKXRKSEU-UHFFFAOYSA-N 2 1 318.421 1.901 20 5 DDBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C[NH3+])CC1 ZINC000430645149 420169379 /nfs/dbraw/zinc/16/93/79/420169379.db2.gz OASRQZHVGUSENI-NSHDSACASA-N 2 1 306.366 1.593 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442767112 420711012 /nfs/dbraw/zinc/71/10/12/420711012.db2.gz MBTKIHXGUKKKBQ-WCQYABFASA-N 2 1 320.393 1.901 20 5 DDBDMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870879786 704155493 /nfs/dbraw/zinc/15/54/93/704155493.db2.gz NPWVVQCYXIOBLS-GDBMZVCRSA-N 2 1 320.393 1.321 20 5 DDBDMP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000923448888 714359557 /nfs/dbraw/zinc/35/95/57/714359557.db2.gz HTZMJRSKYLTZGC-LBPRGKRZSA-N 2 1 311.407 1.986 20 5 DDBDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030383 762186430 /nfs/dbraw/zinc/18/64/30/762186430.db2.gz ZDLKVPIZLJANCO-KBPBESRZSA-N 2 1 315.414 1.249 20 5 DDBDMP C[C@@H]([NH3+])c1ccn(-c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)n1 ZINC001158351062 864596754 /nfs/dbraw/zinc/59/67/54/864596754.db2.gz SNPZHBNDICTOCG-DFVUYQKZSA-N 2 1 302.338 1.728 20 5 DDBDMP C[NH+](C)/C=C\c1cc(N2CC[N@@H+]3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165198352 869422417 /nfs/dbraw/zinc/42/24/17/869422417.db2.gz JMNFRUIWKJPLIC-HSBHDXMMSA-N 2 1 303.366 1.416 20 5 DDBDMP C[NH+](C)/C=C\c1cc(N2CC[N@H+]3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165198352 869422421 /nfs/dbraw/zinc/42/24/21/869422421.db2.gz JMNFRUIWKJPLIC-HSBHDXMMSA-N 2 1 303.366 1.416 20 5 DDBDMP COCC[NH+]1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580083 896512875 /nfs/dbraw/zinc/51/28/75/896512875.db2.gz BEBNLOTWAVQWMQ-INIZCTEOSA-N 2 1 319.405 1.762 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000151194056 354181492 /nfs/dbraw/zinc/18/14/92/354181492.db2.gz VKEGIEGFKDPVCY-UHFFFAOYSA-N 2 1 302.338 1.009 20 5 DDBDMP C[N@H+](C[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120468340 781965405 /nfs/dbraw/zinc/96/54/05/781965405.db2.gz MGBBDEGPRUUCDR-OAHLLOKOSA-N 2 1 308.382 1.051 20 5 DDBDMP C[N@@H+](C[C@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120468340 781965409 /nfs/dbraw/zinc/96/54/09/781965409.db2.gz MGBBDEGPRUUCDR-OAHLLOKOSA-N 2 1 308.382 1.051 20 5 DDBDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000113515607 407514175 /nfs/dbraw/zinc/51/41/75/407514175.db2.gz XQLUZGQFTJQJEH-HIFRSBDPSA-N 2 1 323.393 1.218 20 5 DDBDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000113515607 407514180 /nfs/dbraw/zinc/51/41/80/407514180.db2.gz XQLUZGQFTJQJEH-HIFRSBDPSA-N 2 1 323.393 1.218 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077261 409844264 /nfs/dbraw/zinc/84/42/64/409844264.db2.gz AKNZDINNJOZDCO-QWHCGFSZSA-N 2 1 318.377 1.465 20 5 DDBDMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077261 409844271 /nfs/dbraw/zinc/84/42/71/409844271.db2.gz AKNZDINNJOZDCO-QWHCGFSZSA-N 2 1 318.377 1.465 20 5 DDBDMP CN(C(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000430606439 420155861 /nfs/dbraw/zinc/15/58/61/420155861.db2.gz WQFDTQHJKIMGIX-UHFFFAOYSA-N 2 1 306.366 1.228 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430966982 420229466 /nfs/dbraw/zinc/22/94/66/420229466.db2.gz QSKQIVFRZXVKSP-LBPRGKRZSA-N 2 1 306.366 1.512 20 5 DDBDMP CN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000443070149 420742358 /nfs/dbraw/zinc/74/23/58/420742358.db2.gz KTAUACHHIHUOJL-CYBMUJFWSA-N 2 1 320.393 1.618 20 5 DDBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000565096713 308019932 /nfs/dbraw/zinc/01/99/32/308019932.db2.gz XMVRGPLXWOTPDG-LBPRGKRZSA-N 2 1 320.393 1.983 20 5 DDBDMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000706674719 699243958 /nfs/dbraw/zinc/24/39/58/699243958.db2.gz MQBNVLWXJGGJMU-UHFFFAOYSA-N 2 1 301.774 1.916 20 5 DDBDMP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000706674719 699243956 /nfs/dbraw/zinc/24/39/56/699243956.db2.gz MQBNVLWXJGGJMU-UHFFFAOYSA-N 2 1 301.774 1.916 20 5 DDBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886030294 708684914 /nfs/dbraw/zinc/68/49/14/708684914.db2.gz ITTPDVFKTDVKAX-HNNXBMFYSA-N 2 1 322.409 1.923 20 5 DDBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886030294 708684916 /nfs/dbraw/zinc/68/49/16/708684916.db2.gz ITTPDVFKTDVKAX-HNNXBMFYSA-N 2 1 322.409 1.923 20 5 DDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC000902466842 710763030 /nfs/dbraw/zinc/76/30/30/710763030.db2.gz NOAIUIDKPKGYHQ-ITGHMWBKSA-N 2 1 305.382 1.758 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000923281176 714296513 /nfs/dbraw/zinc/29/65/13/714296513.db2.gz KUPBEMCOMHKZBS-MRXNPFEDSA-N 2 1 305.378 1.845 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000923281176 714296515 /nfs/dbraw/zinc/29/65/15/714296515.db2.gz KUPBEMCOMHKZBS-MRXNPFEDSA-N 2 1 305.378 1.845 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173235378 777064669 /nfs/dbraw/zinc/06/46/69/777064669.db2.gz SJYMYYAPVYEAAD-DGCLKSJQSA-N 2 1 304.350 1.457 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246554968 892693889 /nfs/dbraw/zinc/69/38/89/892693889.db2.gz AFPPLSKFIXMXIR-XJKSGUPXSA-N 2 1 307.394 1.702 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151346895 354182689 /nfs/dbraw/zinc/18/26/89/354182689.db2.gz PWBRDJYSTCHSNV-UHFFFAOYSA-N 2 1 302.338 1.009 20 5 DDBDMP C[N@@H+]1CC=C(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611443365 360721518 /nfs/dbraw/zinc/72/15/18/360721518.db2.gz HIRNBBMHCYGGIH-UHFFFAOYSA-N 2 1 319.361 1.718 20 5 DDBDMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351504220 284350907 /nfs/dbraw/zinc/35/09/07/284350907.db2.gz VKSHCKFVJMQEPY-KGLIPLIRSA-N 2 1 307.398 1.959 20 5 DDBDMP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261813887 407626207 /nfs/dbraw/zinc/62/62/07/407626207.db2.gz ADUBCYQAELLYMU-LBPRGKRZSA-N 2 1 306.366 1.594 20 5 DDBDMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261813887 407626212 /nfs/dbraw/zinc/62/62/12/407626212.db2.gz ADUBCYQAELLYMU-LBPRGKRZSA-N 2 1 306.366 1.594 20 5 DDBDMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000262012434 407711429 /nfs/dbraw/zinc/71/14/29/407711429.db2.gz WMIGNVYISKZOLI-UHFFFAOYSA-N 2 1 306.366 1.465 20 5 DDBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000344855576 409534287 /nfs/dbraw/zinc/53/42/87/409534287.db2.gz GJJFEKCRZUZRGL-RQPMMQJISA-N 2 1 307.394 1.900 20 5 DDBDMP [NH3+]CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000359301687 410590551 /nfs/dbraw/zinc/59/05/51/410590551.db2.gz HYVRSDHBAYSNQH-UHFFFAOYSA-N 2 1 303.366 1.642 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CC([NH3+])C1 ZINC000420335245 420218313 /nfs/dbraw/zinc/21/83/13/420218313.db2.gz PMOUMTJFLJBGQD-UHFFFAOYSA-N 2 1 306.366 1.653 20 5 DDBDMP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281112 714295810 /nfs/dbraw/zinc/29/58/10/714295810.db2.gz DTGMELIDBOCADU-HIFRSBDPSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281112 714295814 /nfs/dbraw/zinc/29/58/14/714295814.db2.gz DTGMELIDBOCADU-HIFRSBDPSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH+](C)CCOc1cc(N[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC001167278599 732887774 /nfs/dbraw/zinc/88/77/74/732887774.db2.gz NRFHSLRHISDELR-ZDUSSCGKSA-N 2 1 308.382 1.651 20 5 DDBDMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988037 762180305 /nfs/dbraw/zinc/18/03/05/762180305.db2.gz MSVPUEZDAHGEQK-ZIAGYGMSSA-N 3 1 314.474 1.907 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC001118568457 781161268 /nfs/dbraw/zinc/16/12/68/781161268.db2.gz AUZKHDOSMSVKAN-HNNXBMFYSA-N 2 1 303.362 1.474 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC001118568457 781161276 /nfs/dbraw/zinc/16/12/76/781161276.db2.gz AUZKHDOSMSVKAN-HNNXBMFYSA-N 2 1 303.362 1.474 20 5 DDBDMP Cc1cc(Cl)nc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157093500 863569743 /nfs/dbraw/zinc/56/97/43/863569743.db2.gz CWCFSHVGFVTQIE-UHFFFAOYSA-N 2 1 300.750 1.627 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001161871194 867052226 /nfs/dbraw/zinc/05/22/26/867052226.db2.gz VWBISTBROUDBOM-UHFFFAOYSA-N 2 1 304.354 1.306 20 5 DDBDMP COc1c(O)ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001336735309 869115024 /nfs/dbraw/zinc/11/50/24/869115024.db2.gz MTTIOLZKNYTMKE-ZYHUDNBSSA-N 2 1 309.366 1.881 20 5 DDBDMP CN(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242051 879875342 /nfs/dbraw/zinc/87/53/42/879875342.db2.gz LCWWDTNASGXJFY-QLFBSQMISA-N 2 1 307.394 1.947 20 5 DDBDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592182199 355526948 /nfs/dbraw/zinc/52/69/48/355526948.db2.gz MBTQOIKMKUBUGN-UHFFFAOYSA-N 2 1 305.378 1.891 20 5 DDBDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592182199 355526952 /nfs/dbraw/zinc/52/69/52/355526952.db2.gz MBTQOIKMKUBUGN-UHFFFAOYSA-N 2 1 305.378 1.891 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000602782542 359187311 /nfs/dbraw/zinc/18/73/11/359187311.db2.gz CSJMQSHSYFHWGH-KGLIPLIRSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000602782542 359187314 /nfs/dbraw/zinc/18/73/14/359187314.db2.gz CSJMQSHSYFHWGH-KGLIPLIRSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000602782542 359187316 /nfs/dbraw/zinc/18/73/16/359187316.db2.gz CSJMQSHSYFHWGH-KGLIPLIRSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000602782542 359187320 /nfs/dbraw/zinc/18/73/20/359187320.db2.gz CSJMQSHSYFHWGH-KGLIPLIRSA-N 2 1 307.398 1.516 20 5 DDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000351481245 284333519 /nfs/dbraw/zinc/33/35/19/284333519.db2.gz WSMVCSIUUKATAH-YNEHKIRRSA-N 2 1 318.377 1.593 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000174870704 407998856 /nfs/dbraw/zinc/99/88/56/407998856.db2.gz OAKIOSDWQPFKOT-AWEZNQCLSA-N 2 1 307.398 1.742 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000174870704 407998861 /nfs/dbraw/zinc/99/88/61/407998861.db2.gz OAKIOSDWQPFKOT-AWEZNQCLSA-N 2 1 307.398 1.742 20 5 DDBDMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579943453 422858425 /nfs/dbraw/zinc/85/84/25/422858425.db2.gz LHHUVCJBZPHKTK-AWEZNQCLSA-N 2 1 323.393 1.408 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396954 420261376 /nfs/dbraw/zinc/26/13/76/420261376.db2.gz FMXUGTIKASRLQR-CHWSQXEVSA-N 2 1 323.393 1.899 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396954 420261380 /nfs/dbraw/zinc/26/13/80/420261380.db2.gz FMXUGTIKASRLQR-CHWSQXEVSA-N 2 1 323.393 1.899 20 5 DDBDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577860251 422445720 /nfs/dbraw/zinc/44/57/20/422445720.db2.gz UJFMDGZNWOVFTE-AWEZNQCLSA-N 2 1 320.349 1.129 20 5 DDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[NH2+]C3CC3)CC2)cc1 ZINC000817953556 702535004 /nfs/dbraw/zinc/53/50/04/702535004.db2.gz NZLKZZMJTSJKAZ-UHFFFAOYSA-N 2 1 304.394 1.905 20 5 DDBDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979994 704041670 /nfs/dbraw/zinc/04/16/70/704041670.db2.gz FNOSITSFMQDNHV-CZUORRHYSA-N 2 1 307.394 1.950 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923356470 714325270 /nfs/dbraw/zinc/32/52/70/714325270.db2.gz RXWSEKQORSHOLR-JKSUJKDBSA-N 2 1 305.378 1.704 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923356470 714325274 /nfs/dbraw/zinc/32/52/74/714325274.db2.gz RXWSEKQORSHOLR-JKSUJKDBSA-N 2 1 305.378 1.704 20 5 DDBDMP CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC[NH+](C)C ZINC001320043710 866444117 /nfs/dbraw/zinc/44/41/17/866444117.db2.gz XAPRRAPBOFNMPQ-UHFFFAOYSA-N 2 1 322.409 1.437 20 5 DDBDMP CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC[NH+](C)C ZINC001320043710 866444118 /nfs/dbraw/zinc/44/41/18/866444118.db2.gz XAPRRAPBOFNMPQ-UHFFFAOYSA-N 2 1 322.409 1.437 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000592493429 355600035 /nfs/dbraw/zinc/60/00/35/355600035.db2.gz QGVWUKDPHLDUMX-ZIAGYGMSSA-N 2 1 307.398 1.503 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000602796358 359197859 /nfs/dbraw/zinc/19/78/59/359197859.db2.gz XYGKEKWNTWIWQV-GFCCVEGCSA-N 2 1 304.354 1.702 20 5 DDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000351481242 284333425 /nfs/dbraw/zinc/33/34/25/284333425.db2.gz WSMVCSIUUKATAH-FRRDWIJNSA-N 2 1 318.377 1.593 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077258 409847232 /nfs/dbraw/zinc/84/72/32/409847232.db2.gz AKNZDINNJOZDCO-CHWSQXEVSA-N 2 1 318.377 1.465 20 5 DDBDMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077258 409847235 /nfs/dbraw/zinc/84/72/35/409847235.db2.gz AKNZDINNJOZDCO-CHWSQXEVSA-N 2 1 318.377 1.465 20 5 DDBDMP C[NH+]1CCC2(CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000367202145 418569111 /nfs/dbraw/zinc/56/91/11/418569111.db2.gz YCUWHNZFHUXSSK-UHFFFAOYSA-N 2 1 307.398 1.599 20 5 DDBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414849434 419838962 /nfs/dbraw/zinc/83/89/62/419838962.db2.gz RDZCEQFAKJFAQO-AAEUAGOBSA-N 2 1 306.366 1.654 20 5 DDBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH3+])CC1 ZINC000430651131 228946388 /nfs/dbraw/zinc/94/63/88/228946388.db2.gz VSLRKLXVOFDFTQ-LLVKDONJSA-N 2 1 306.366 1.593 20 5 DDBDMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000415134787 419961291 /nfs/dbraw/zinc/96/12/91/419961291.db2.gz WDVMAQVRBKXBCK-OAHLLOKOSA-N 2 1 316.365 1.482 20 5 DDBDMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430624177 420162840 /nfs/dbraw/zinc/16/28/40/420162840.db2.gz ILOFWGPCZGKQMZ-GFCCVEGCSA-N 2 1 306.366 1.594 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351404 420228657 /nfs/dbraw/zinc/22/86/57/420228657.db2.gz WYGSUEROXXCTFI-GDBMZVCRSA-N 2 1 318.421 1.944 20 5 DDBDMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378153 420248838 /nfs/dbraw/zinc/24/88/38/420248838.db2.gz WXEKLIDPMMSVTP-BFQNTYOBSA-N 2 1 320.393 1.900 20 5 DDBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000442776198 420713789 /nfs/dbraw/zinc/71/37/89/420713789.db2.gz BSYJACOOLZQXAA-NWDGAFQWSA-N 2 1 306.366 1.593 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000377963505 302257752 /nfs/dbraw/zinc/25/77/52/302257752.db2.gz UYDKLOYVNBJCGI-MCIONIFRSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000377963505 302257755 /nfs/dbraw/zinc/25/77/55/302257755.db2.gz UYDKLOYVNBJCGI-MCIONIFRSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000377963505 302257758 /nfs/dbraw/zinc/25/77/58/302257758.db2.gz UYDKLOYVNBJCGI-MCIONIFRSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000377963505 302257761 /nfs/dbraw/zinc/25/77/61/302257761.db2.gz UYDKLOYVNBJCGI-MCIONIFRSA-N 2 1 305.382 1.207 20 5 DDBDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2)C1 ZINC000779649654 698448036 /nfs/dbraw/zinc/44/80/36/698448036.db2.gz KAMKJPJAPSFMAZ-CQSZACIVSA-N 2 1 322.365 1.702 20 5 DDBDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2)C1 ZINC000779649654 698448038 /nfs/dbraw/zinc/44/80/38/698448038.db2.gz KAMKJPJAPSFMAZ-CQSZACIVSA-N 2 1 322.365 1.702 20 5 DDBDMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000931480593 714107803 /nfs/dbraw/zinc/10/78/03/714107803.db2.gz ZXKFNDGYSGAJPS-UHFFFAOYSA-N 2 1 311.357 1.622 20 5 DDBDMP COc1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000931486433 714109139 /nfs/dbraw/zinc/10/91/39/714109139.db2.gz PZSGIRVCLZKOEG-UHFFFAOYSA-N 2 1 323.393 1.492 20 5 DDBDMP O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923370247 714330988 /nfs/dbraw/zinc/33/09/88/714330988.db2.gz TZSWYTDVSJSOBZ-HNNXBMFYSA-N 2 1 317.389 1.938 20 5 DDBDMP O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923370247 714330990 /nfs/dbraw/zinc/33/09/90/714330990.db2.gz TZSWYTDVSJSOBZ-HNNXBMFYSA-N 2 1 317.389 1.938 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923413767 714348190 /nfs/dbraw/zinc/34/81/90/714348190.db2.gz GZUSNTRYHHAZFG-CWRNSKLLSA-N 2 1 305.378 1.702 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923413767 714348191 /nfs/dbraw/zinc/34/81/91/714348191.db2.gz GZUSNTRYHHAZFG-CWRNSKLLSA-N 2 1 305.378 1.702 20 5 DDBDMP C[NH+](C)/C=C/c1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)ncc1[N+](=O)[O-] ZINC001155037858 861667674 /nfs/dbraw/zinc/66/76/74/861667674.db2.gz CQDWPMBYCFQKCC-QSKOYVBTSA-N 2 1 309.345 1.634 20 5 DDBDMP C[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C[C@@H](C)[NH2+]1 ZINC001158176414 864470767 /nfs/dbraw/zinc/47/07/67/864470767.db2.gz DPUACEPMXUUJOX-IEVRTODYSA-N 2 1 305.382 1.709 20 5 DDBDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189731 873640156 /nfs/dbraw/zinc/64/01/56/873640156.db2.gz AMNJTTNWCKTIHE-UKRRQHHQSA-N 2 1 323.393 1.266 20 5 DDBDMP Nc1ccc2n(C(=O)C[NH2+]CCC[NH3+])c3ccccc3cc-2c1=O ZINC001219255659 878062769 /nfs/dbraw/zinc/06/27/69/878062769.db2.gz JMARILRGEDBQNN-UHFFFAOYSA-N 2 1 324.384 1.267 20 5 DDBDMP [NH3+]C[C@]1(O)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246539086 892686778 /nfs/dbraw/zinc/68/67/78/892686778.db2.gz ARMZSUUNGGEQMV-HOTGVXAUSA-N 2 1 305.378 1.238 20 5 DDBDMP [NH3+]C[C@@]1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580889 896512851 /nfs/dbraw/zinc/51/28/51/896512851.db2.gz HTTVOUBZSLYYPJ-NVXWUHKLSA-N 2 1 316.405 1.075 20 5 DDBDMP Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000347088597 283173447 /nfs/dbraw/zinc/17/34/47/283173447.db2.gz DBWDUYLYFRYCDN-AWEZNQCLSA-N 2 1 320.393 1.190 20 5 DDBDMP O=[N+]([O-])c1ccc2[nH+]ccc(N3CCC([NH2+]CCO)CC3)c2c1 ZINC000601136104 358417115 /nfs/dbraw/zinc/41/71/15/358417115.db2.gz OTAVHSKMIAPZQQ-UHFFFAOYSA-N 2 1 316.361 1.694 20 5 DDBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000174719862 248378733 /nfs/dbraw/zinc/37/87/33/248378733.db2.gz JTBDVIKBPWKQSI-UHFFFAOYSA-N 2 1 306.410 1.664 20 5 DDBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCc1ccc([N+](=O)[O-])cc1 ZINC000174726747 407984036 /nfs/dbraw/zinc/98/40/36/407984036.db2.gz JYRJLVJUXDUQMA-UHFFFAOYSA-N 2 1 320.437 1.707 20 5 DDBDMP C[N@@H+](C[C@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290811723 408836773 /nfs/dbraw/zinc/83/67/73/408836773.db2.gz RFYPNWJQFDZVDJ-HNNXBMFYSA-N 2 1 316.361 1.913 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351851636 410288813 /nfs/dbraw/zinc/28/88/13/410288813.db2.gz LRHNAMISFYWDLD-CHWSQXEVSA-N 2 1 320.393 1.901 20 5 DDBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229578 419990340 /nfs/dbraw/zinc/99/03/40/419990340.db2.gz BOQYPDNMVQMQED-YPMHNXCESA-N 2 1 306.366 1.654 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430613519 420157895 /nfs/dbraw/zinc/15/78/95/420157895.db2.gz WCTZAQFPYXCTDC-CYBMUJFWSA-N 2 1 320.393 1.903 20 5 DDBDMP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)C[NH3+] ZINC000571688785 421736933 /nfs/dbraw/zinc/73/69/33/421736933.db2.gz RKMOQZGSRJPALG-CYBMUJFWSA-N 2 1 320.349 1.044 20 5 DDBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)C[NH3+] ZINC000571688785 421736935 /nfs/dbraw/zinc/73/69/35/421736935.db2.gz RKMOQZGSRJPALG-CYBMUJFWSA-N 2 1 320.349 1.044 20 5 DDBDMP C[NH2+]C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000843351555 702864769 /nfs/dbraw/zinc/86/47/69/702864769.db2.gz OPSDTTGDNIPGKY-UHFFFAOYSA-N 2 1 324.356 1.746 20 5 DDBDMP C[N@@H+]1CCc2c(c([N+](=O)[O-])ccc2-n2ccnc2C(N)=[NH2+])C1 ZINC001168420801 744368474 /nfs/dbraw/zinc/36/84/74/744368474.db2.gz ZMOMSARKEBYBLU-UHFFFAOYSA-N 2 1 300.322 1.052 20 5 DDBDMP C[N@H+]1CCc2c(c([N+](=O)[O-])ccc2-n2ccnc2C(N)=[NH2+])C1 ZINC001168420801 744368477 /nfs/dbraw/zinc/36/84/77/744368477.db2.gz ZMOMSARKEBYBLU-UHFFFAOYSA-N 2 1 300.322 1.052 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001173221629 777054025 /nfs/dbraw/zinc/05/40/25/777054025.db2.gz OENSAIYDLBKBPL-DYVFJYSZSA-N 2 1 318.421 1.539 20 5 DDBDMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001332981830 866307944 /nfs/dbraw/zinc/30/79/44/866307944.db2.gz PIMSAEHWNHVDOJ-VHMBPLKRSA-N 2 1 307.398 1.957 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCn3c[nH+]cc3C2)c1 ZINC001336016247 868681713 /nfs/dbraw/zinc/68/17/13/868681713.db2.gz DNWZGBSQDVQGAH-WFASDCNBSA-N 2 1 302.334 1.429 20 5 DDBDMP Nc1cc2nc3ccccc3nc2cc1NC(=O)C[NH2+]CCC[NH3+] ZINC001218858694 877770268 /nfs/dbraw/zinc/77/02/68/877770268.db2.gz DJLNOBHCGZKLIN-UHFFFAOYSA-N 2 1 324.388 1.242 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000592493428 355599816 /nfs/dbraw/zinc/59/98/16/355599816.db2.gz QGVWUKDPHLDUMX-UONOGXRCSA-N 2 1 307.398 1.503 20 5 DDBDMP CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289306650 409245943 /nfs/dbraw/zinc/24/59/43/409245943.db2.gz ATAPEEKYMCFMHU-OAHLLOKOSA-N 2 1 307.394 1.524 20 5 DDBDMP CN(C[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289306650 409245945 /nfs/dbraw/zinc/24/59/45/409245945.db2.gz ATAPEEKYMCFMHU-OAHLLOKOSA-N 2 1 307.394 1.524 20 5 DDBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000344855577 409532264 /nfs/dbraw/zinc/53/22/64/409532264.db2.gz GJJFEKCRZUZRGL-WDBUWWRISA-N 2 1 307.394 1.900 20 5 DDBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351861983 410302642 /nfs/dbraw/zinc/30/26/42/410302642.db2.gz MUSIOBQQRLQKGG-NEPJUHHUSA-N 2 1 306.366 1.593 20 5 DDBDMP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000420319524 420204454 /nfs/dbraw/zinc/20/44/54/420204454.db2.gz AKTDJUXRXSTUMY-UHFFFAOYSA-N 2 1 306.366 1.737 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000420319524 420204458 /nfs/dbraw/zinc/20/44/58/420204458.db2.gz AKTDJUXRXSTUMY-UHFFFAOYSA-N 2 1 306.366 1.737 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000420323270 420208923 /nfs/dbraw/zinc/20/89/23/420208923.db2.gz BFUXUTZHYLWIES-UHFFFAOYSA-N 2 1 322.365 1.354 20 5 DDBDMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000519643609 421713323 /nfs/dbraw/zinc/71/33/23/421713323.db2.gz WSUGYLISVYPOJL-OLZOCXBDSA-N 2 1 320.393 1.996 20 5 DDBDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819365849 704113759 /nfs/dbraw/zinc/11/37/59/704113759.db2.gz CGJJRGHQWYCIFL-BBRMVZONSA-N 2 1 307.394 1.950 20 5 DDBDMP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000878374342 706372208 /nfs/dbraw/zinc/37/22/08/706372208.db2.gz SXNYJOSCXCRAJO-LBPRGKRZSA-N 2 1 320.393 1.456 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886839507 708858664 /nfs/dbraw/zinc/85/86/64/708858664.db2.gz GGXUSUGGHICDIE-CABCVRRESA-N 2 1 320.393 1.708 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903882376 711315306 /nfs/dbraw/zinc/31/53/06/711315306.db2.gz NCGKOILCVDQXEO-YOEHRIQHSA-N 2 1 317.389 1.722 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903882376 711315309 /nfs/dbraw/zinc/31/53/09/711315309.db2.gz NCGKOILCVDQXEO-YOEHRIQHSA-N 2 1 317.389 1.722 20 5 DDBDMP C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923279992 714295710 /nfs/dbraw/zinc/29/57/10/714295710.db2.gz VYIQEPVYYNYJPW-CQSZACIVSA-N 2 1 309.366 1.018 20 5 DDBDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001148638052 773560375 /nfs/dbraw/zinc/56/03/75/773560375.db2.gz AAHCLCAKHRHJTE-UHFFFAOYSA-N 2 1 308.382 1.142 20 5 DDBDMP C[NH+](C)/C=C/c1cc(-n2ccc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001157449256 863827867 /nfs/dbraw/zinc/82/78/67/863827867.db2.gz KKYMYDFZFZWHLA-QPJJXVBHSA-N 2 1 313.361 1.959 20 5 DDBDMP C[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C[C@H](C)[NH2+]1 ZINC001158176415 864471098 /nfs/dbraw/zinc/47/10/98/864471098.db2.gz DPUACEPMXUUJOX-MTJJXUSZSA-N 2 1 305.382 1.709 20 5 DDBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001334748325 867809822 /nfs/dbraw/zinc/80/98/22/867809822.db2.gz OSEVXSJYWMIWHO-BFHYXJOUSA-N 2 1 307.398 1.719 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246554488 892691857 /nfs/dbraw/zinc/69/18/57/892691857.db2.gz VGOOJWIYEIHNLR-XJKSGUPXSA-N 2 1 307.394 1.702 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000592493426 355600205 /nfs/dbraw/zinc/60/02/05/355600205.db2.gz QGVWUKDPHLDUMX-KBPBESRZSA-N 2 1 307.398 1.503 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261832665 407631168 /nfs/dbraw/zinc/63/11/68/407631168.db2.gz IFMWNWIWXQMGPY-HNNXBMFYSA-N 2 1 320.393 1.083 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261832665 407631173 /nfs/dbraw/zinc/63/11/73/407631173.db2.gz IFMWNWIWXQMGPY-HNNXBMFYSA-N 2 1 320.393 1.083 20 5 DDBDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254180 410419319 /nfs/dbraw/zinc/41/93/19/410419319.db2.gz PDAYITXRDGJESZ-RDJZCZTQSA-N 2 1 319.405 1.572 20 5 DDBDMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254180 410419321 /nfs/dbraw/zinc/41/93/21/410419321.db2.gz PDAYITXRDGJESZ-RDJZCZTQSA-N 2 1 319.405 1.572 20 5 DDBDMP COC[C@@]1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000423408903 420041664 /nfs/dbraw/zinc/04/16/64/420041664.db2.gz BBTVIQQMTUVADC-BBRMVZONSA-N 2 1 307.394 1.884 20 5 DDBDMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430951786 420222446 /nfs/dbraw/zinc/22/24/46/420222446.db2.gz NGFPGQAXQGQJHW-LBPRGKRZSA-N 2 1 320.393 1.853 20 5 DDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430971484 420227801 /nfs/dbraw/zinc/22/78/01/420227801.db2.gz NNOWZNOXHUSDNJ-GFCCVEGCSA-N 2 1 306.366 1.465 20 5 DDBDMP CN(C)c1[nH+]cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1C ZINC000425377941 420364988 /nfs/dbraw/zinc/36/49/88/420364988.db2.gz ILHCHUASGWOATJ-UHFFFAOYSA-N 2 1 318.381 1.360 20 5 DDBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065896 420741367 /nfs/dbraw/zinc/74/13/67/420741367.db2.gz CRPMLZFNSRDGPR-QWHCGFSZSA-N 2 1 320.393 1.983 20 5 DDBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001120599256 782047573 /nfs/dbraw/zinc/04/75/73/782047573.db2.gz JAOBLRPKSVUMAA-SWLSCSKDSA-N 2 1 302.334 1.429 20 5 DDBDMP CCN(CCC[NH+](C)C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870927677 704171729 /nfs/dbraw/zinc/17/17/29/704171729.db2.gz AVZQEVKPRIMEJX-MRXNPFEDSA-N 2 1 322.409 1.569 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000876930253 705928590 /nfs/dbraw/zinc/92/85/90/705928590.db2.gz UPOAZEQOUPRXCS-DCBWTQNWSA-N 2 1 305.382 1.569 20 5 DDBDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877525246 706132201 /nfs/dbraw/zinc/13/22/01/706132201.db2.gz WQZUZEBFGKKWMX-HSBZDZAISA-N 2 1 307.398 1.815 20 5 DDBDMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992059 762165636 /nfs/dbraw/zinc/16/56/36/762165636.db2.gz JFHAJNCAOBBSHF-UKRRQHHQSA-N 2 1 304.394 1.777 20 5 DDBDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001171757952 776447885 /nfs/dbraw/zinc/44/78/85/776447885.db2.gz QKYJPSWTVTUKCF-UHFFFAOYSA-N 2 1 322.409 1.533 20 5 DDBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001336839086 869176035 /nfs/dbraw/zinc/17/60/35/869176035.db2.gz JMFQXIRPEHYWSS-IMJJTQAJSA-N 2 1 305.378 1.845 20 5 DDBDMP [NH3+]CCC[NH2+]CC(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979957 877852208 /nfs/dbraw/zinc/85/22/08/877852208.db2.gz MYSGSWGKJIIRBE-UHFFFAOYSA-N 2 1 309.373 1.660 20 5 DDBDMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247695554 893297505 /nfs/dbraw/zinc/29/75/05/893297505.db2.gz GRJXQBHAZOSXGM-QMMMGPOBSA-N 2 1 310.289 1.308 20 5 DDBDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000266884584 282303192 /nfs/dbraw/zinc/30/31/92/282303192.db2.gz PUTASQRFCPEKRI-ZDUSSCGKSA-N 2 1 320.393 1.410 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000602784241 359188787 /nfs/dbraw/zinc/18/87/87/359188787.db2.gz RHYUXCCVFNBEGB-HNNXBMFYSA-N 2 1 321.425 1.763 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000602784241 359188792 /nfs/dbraw/zinc/18/87/92/359188792.db2.gz RHYUXCCVFNBEGB-HNNXBMFYSA-N 2 1 321.425 1.763 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000602784241 359188797 /nfs/dbraw/zinc/18/87/97/359188797.db2.gz RHYUXCCVFNBEGB-HNNXBMFYSA-N 2 1 321.425 1.763 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000602784241 359188802 /nfs/dbraw/zinc/18/88/02/359188802.db2.gz RHYUXCCVFNBEGB-HNNXBMFYSA-N 2 1 321.425 1.763 20 5 DDBDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCn1ccc([N+](=O)[O-])n1 ZINC000603112120 359409266 /nfs/dbraw/zinc/40/92/66/359409266.db2.gz TVMZVHVAXSQRGR-UHFFFAOYSA-N 2 1 309.414 1.989 20 5 DDBDMP Cn1cc(C[NH2+]CC(C)(C)[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414800814 224397416 /nfs/dbraw/zinc/39/74/16/224397416.db2.gz ISYFMTKSQLVJSE-UHFFFAOYSA-N 2 1 303.366 1.822 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246556327 408290403 /nfs/dbraw/zinc/29/04/03/408290403.db2.gz KSAGSJCWHRTRND-XJKSGUPXSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246556327 408290404 /nfs/dbraw/zinc/29/04/04/408290404.db2.gz KSAGSJCWHRTRND-XJKSGUPXSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246556327 408290409 /nfs/dbraw/zinc/29/04/09/408290409.db2.gz KSAGSJCWHRTRND-XJKSGUPXSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246556327 408290410 /nfs/dbraw/zinc/29/04/10/408290410.db2.gz KSAGSJCWHRTRND-XJKSGUPXSA-N 2 1 319.409 1.740 20 5 DDBDMP CN(CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289440854 409272704 /nfs/dbraw/zinc/27/27/04/409272704.db2.gz OKXUBZFCODPLCT-UHFFFAOYSA-N 2 1 308.426 1.910 20 5 DDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430928492 420210356 /nfs/dbraw/zinc/21/03/56/420210356.db2.gz UFNYFSBWXSMQLC-CYBMUJFWSA-N 2 1 320.393 1.773 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430931039 420211558 /nfs/dbraw/zinc/21/15/58/420211558.db2.gz CCQOLKCRUALTRQ-GFCCVEGCSA-N 2 1 320.393 1.901 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000576766231 308338479 /nfs/dbraw/zinc/33/84/79/308338479.db2.gz TUKSKCSBKIQOMS-RYUDHWBXSA-N 2 1 309.366 1.794 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000576766231 308338480 /nfs/dbraw/zinc/33/84/80/308338480.db2.gz TUKSKCSBKIQOMS-RYUDHWBXSA-N 2 1 309.366 1.794 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886839776 708858620 /nfs/dbraw/zinc/85/86/20/708858620.db2.gz LVBXBWGPVGWLNV-NWANDNLSSA-N 2 1 320.393 1.708 20 5 DDBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923329165 714316145 /nfs/dbraw/zinc/31/61/45/714316145.db2.gz GVMSVNPXJLZSSL-NQKGRLOXSA-N 2 1 305.378 1.972 20 5 DDBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923329165 714316147 /nfs/dbraw/zinc/31/61/47/714316147.db2.gz GVMSVNPXJLZSSL-NQKGRLOXSA-N 2 1 305.378 1.972 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@@H]3[NH2+]C[C@H]32)ncc1[N+](=O)[O-] ZINC001165396256 869566081 /nfs/dbraw/zinc/56/60/81/869566081.db2.gz ZKDHVQWAIVMKLF-LFHSMUGYSA-N 2 1 303.366 1.463 20 5 DDBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592432156 355581724 /nfs/dbraw/zinc/58/17/24/355581724.db2.gz GKNPKCTXDUTKPH-LBPRGKRZSA-N 2 1 321.377 1.927 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)nc1 ZINC000359217372 207384638 /nfs/dbraw/zinc/38/46/38/207384638.db2.gz KPYHESPRFXZWDQ-AWEZNQCLSA-N 2 1 319.409 1.866 20 5 DDBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC[NH3+])CC1 ZINC000568871254 304317795 /nfs/dbraw/zinc/31/77/95/304317795.db2.gz DHBZBTBGYLRZLO-GFCCVEGCSA-N 2 1 320.393 1.983 20 5 DDBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107368939 407374403 /nfs/dbraw/zinc/37/44/03/407374403.db2.gz ZPFPJMPCDLSGPX-KRWDZBQOSA-N 2 1 318.421 1.807 20 5 DDBDMP Cc1c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000261816590 407626881 /nfs/dbraw/zinc/62/68/81/407626881.db2.gz AHGCSXRNLOAANC-HNNXBMFYSA-N 2 1 304.394 1.383 20 5 DDBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000344855572 409532723 /nfs/dbraw/zinc/53/27/23/409532723.db2.gz GJJFEKCRZUZRGL-LPDYGMJQSA-N 2 1 307.394 1.900 20 5 DDBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420324729 420211225 /nfs/dbraw/zinc/21/12/25/420211225.db2.gz AYYDPJLRXJGEIM-OKILXGFUSA-N 2 1 305.378 1.905 20 5 DDBDMP [NH3+]CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000430656827 420172940 /nfs/dbraw/zinc/17/29/40/420172940.db2.gz VAUFRWBVWBPQPO-UHFFFAOYSA-N 2 1 317.349 1.816 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1C[N@@H+](C)CCN1C ZINC000531970540 303268269 /nfs/dbraw/zinc/26/82/69/303268269.db2.gz CRTUHCUNKJGXHM-HIFRSBDPSA-N 2 1 306.410 1.800 20 5 DDBDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567345835 308078737 /nfs/dbraw/zinc/07/87/37/308078737.db2.gz VTVMCALZTVGXPL-UMVBOHGHSA-N 2 1 323.393 1.407 20 5 DDBDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819365852 704113397 /nfs/dbraw/zinc/11/33/97/704113397.db2.gz CGJJRGHQWYCIFL-XJKSGUPXSA-N 2 1 307.394 1.950 20 5 DDBDMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886839265 708858856 /nfs/dbraw/zinc/85/88/56/708858856.db2.gz AIRMYZHHNDIWHG-CABCVRRESA-N 2 1 320.393 1.708 20 5 DDBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923329161 714316360 /nfs/dbraw/zinc/31/63/60/714316360.db2.gz GVMSVNPXJLZSSL-HUORLRHWSA-N 2 1 305.378 1.972 20 5 DDBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923329161 714316362 /nfs/dbraw/zinc/31/63/62/714316362.db2.gz GVMSVNPXJLZSSL-HUORLRHWSA-N 2 1 305.378 1.972 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359564 714326803 /nfs/dbraw/zinc/32/68/03/714326803.db2.gz RXZAGXSIGIZTCF-JGGQBBKZSA-N 2 1 321.377 1.018 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359564 714326805 /nfs/dbraw/zinc/32/68/05/714326805.db2.gz RXZAGXSIGIZTCF-JGGQBBKZSA-N 2 1 321.377 1.018 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001173233299 777063358 /nfs/dbraw/zinc/06/33/58/777063358.db2.gz ICXWJSMIYLQNOM-OAHLLOKOSA-N 2 1 320.437 1.753 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCNC3(CC[NH2+]CC3)C1)C2 ZINC001246608209 892734682 /nfs/dbraw/zinc/73/46/82/892734682.db2.gz YAIPCBBJVBSRGW-INIZCTEOSA-N 2 1 316.405 1.089 20 5 DDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430971485 529993010 /nfs/dbraw/zinc/99/30/10/529993010.db2.gz NNOWZNOXHUSDNJ-LBPRGKRZSA-N 2 1 306.366 1.465 20 5 DDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595890104 356693710 /nfs/dbraw/zinc/69/37/10/356693710.db2.gz BRITYIBWQPUIBG-AWEZNQCLSA-N 2 1 305.378 1.590 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596361006 356863669 /nfs/dbraw/zinc/86/36/69/356863669.db2.gz HXUWAXDNZATQLR-NSHDSACASA-N 2 1 311.386 1.379 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596361006 356863670 /nfs/dbraw/zinc/86/36/70/356863670.db2.gz HXUWAXDNZATQLR-NSHDSACASA-N 2 1 311.386 1.379 20 5 DDBDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248439174 408566625 /nfs/dbraw/zinc/56/66/25/408566625.db2.gz CFRFSKWFLCUFAF-ZIAGYGMSSA-N 2 1 323.393 1.218 20 5 DDBDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248439174 408566631 /nfs/dbraw/zinc/56/66/31/408566631.db2.gz CFRFSKWFLCUFAF-ZIAGYGMSSA-N 2 1 323.393 1.218 20 5 DDBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351847720 410284911 /nfs/dbraw/zinc/28/49/11/410284911.db2.gz BCAGRGVBRNLTPK-RYUDHWBXSA-N 2 1 306.366 1.593 20 5 DDBDMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818967875 704037640 /nfs/dbraw/zinc/03/76/40/704037640.db2.gz DMJOUDVCXYWNDY-HNNXBMFYSA-N 2 1 304.350 1.813 20 5 DDBDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979992 704041620 /nfs/dbraw/zinc/04/16/20/704041620.db2.gz FNOSITSFMQDNHV-CJNGLKHVSA-N 2 1 307.394 1.950 20 5 DDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC000902466841 710762855 /nfs/dbraw/zinc/76/28/55/710762855.db2.gz NOAIUIDKPKGYHQ-HTOAHKCRSA-N 2 1 305.382 1.758 20 5 DDBDMP Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000902484164 710768317 /nfs/dbraw/zinc/76/83/17/710768317.db2.gz FAQWGYNIZOPWSJ-WHOFXGATSA-N 2 1 315.377 1.745 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903739894 711262741 /nfs/dbraw/zinc/26/27/41/711262741.db2.gz AXMSJKFAXPKWHH-KGLIPLIRSA-N 2 1 319.409 1.866 20 5 DDBDMP C[C@@H]1[C@H]([NH3+])CCCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001157747576 864098532 /nfs/dbraw/zinc/09/85/32/864098532.db2.gz UZYRYOBBGFYMPA-CFLAWFISSA-N 2 1 305.382 1.838 20 5 DDBDMP C[NH+](C)/C=C/c1cc(-n2cc(CC[NH3+])cn2)ncc1[N+](=O)[O-] ZINC001158100322 864427223 /nfs/dbraw/zinc/42/72/23/864427223.db2.gz BVGBCGFQKGRJKE-GQCTYLIASA-N 2 1 302.338 1.209 20 5 DDBDMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022415 868684896 /nfs/dbraw/zinc/68/48/96/868684896.db2.gz XYWIZRYWSFNJMA-CJNGLKHVSA-N 2 1 307.394 1.950 20 5 DDBDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189733 873639907 /nfs/dbraw/zinc/63/99/07/873639907.db2.gz AMNJTTNWCKTIHE-ZFWWWQNUSA-N 2 1 323.393 1.266 20 5 DDBDMP CN(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242081 879875132 /nfs/dbraw/zinc/87/51/32/879875132.db2.gz LCWWDTNASGXJFY-RBSFLKMASA-N 2 1 307.394 1.947 20 5 DDBDMP C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001234066527 887607529 /nfs/dbraw/zinc/60/75/29/887607529.db2.gz HPAGHIDUTXEZRW-HNNXBMFYSA-N 2 1 320.457 1.548 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1CO)CC2 ZINC001246305839 892528741 /nfs/dbraw/zinc/52/87/41/892528741.db2.gz JSKFINLCYZSRJU-SQWLQELKSA-N 2 1 305.378 1.012 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000595907458 356700752 /nfs/dbraw/zinc/70/07/52/356700752.db2.gz UULMAFVUBRJTTL-CHWSQXEVSA-N 2 1 324.356 1.603 20 5 DDBDMP C[C@H]([NH3+])C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423038576 227325777 /nfs/dbraw/zinc/32/57/77/227325777.db2.gz OMGSLKVDBCJGQN-QWRGUYRKSA-N 2 1 315.395 1.084 20 5 DDBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423282134 420001938 /nfs/dbraw/zinc/00/19/38/420001938.db2.gz UZEDRKKAKSXGPY-IINYFYTJSA-N 2 1 306.366 1.639 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C[NH3+] ZINC000430560234 420138302 /nfs/dbraw/zinc/13/83/02/420138302.db2.gz GIAVWCDLLGTCNX-UHFFFAOYSA-N 2 1 308.382 1.840 20 5 DDBDMP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000420309767 420198128 /nfs/dbraw/zinc/19/81/28/420198128.db2.gz FMYMJTMHFMNPHN-CQSZACIVSA-N 2 1 306.366 1.593 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C[NH3+])C1CC1 ZINC000420309767 420198135 /nfs/dbraw/zinc/19/81/35/420198135.db2.gz FMYMJTMHFMNPHN-CQSZACIVSA-N 2 1 306.366 1.593 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000420326570 420210702 /nfs/dbraw/zinc/21/07/02/420210702.db2.gz XOQPWJJLOWFRDH-KGLIPLIRSA-N 2 1 319.409 1.866 20 5 DDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430968964 420229083 /nfs/dbraw/zinc/22/90/83/420229083.db2.gz ZVFKQJNQPJGQIG-ZDUSSCGKSA-N 2 1 320.393 1.773 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000576766232 308338345 /nfs/dbraw/zinc/33/83/45/308338345.db2.gz TUKSKCSBKIQOMS-VXGBXAGGSA-N 2 1 309.366 1.794 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000576766232 308338347 /nfs/dbraw/zinc/33/83/47/308338347.db2.gz TUKSKCSBKIQOMS-VXGBXAGGSA-N 2 1 309.366 1.794 20 5 DDBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261653166 698431144 /nfs/dbraw/zinc/43/11/44/698431144.db2.gz FMYAGBAYEAEZHF-TZMCWYRMSA-N 2 1 320.393 1.443 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439821 714098495 /nfs/dbraw/zinc/09/84/95/714098495.db2.gz ONZCVWNFGRTWCP-YCPHGPKFSA-N 2 1 305.378 1.512 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439821 714098498 /nfs/dbraw/zinc/09/84/98/714098498.db2.gz ONZCVWNFGRTWCP-YCPHGPKFSA-N 2 1 305.378 1.512 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CCC(F)(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC001165264111 869478565 /nfs/dbraw/zinc/47/85/65/869478565.db2.gz RANKMTIIELXCIM-ZZXKWVIFSA-N 2 1 323.372 1.789 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC001357244259 879875869 /nfs/dbraw/zinc/87/58/69/879875869.db2.gz YTDHORQIBQHZKZ-IMJJTQAJSA-N 2 1 305.378 1.845 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246606863 892732249 /nfs/dbraw/zinc/73/22/49/892732249.db2.gz SPUFAHPDORJYJH-AWEZNQCLSA-N 2 1 318.421 1.553 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246857607 892947440 /nfs/dbraw/zinc/94/74/40/892947440.db2.gz BNASOOILKPTTIG-CLJRNHLWSA-N 2 1 305.378 1.431 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+](C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000430670185 420173194 /nfs/dbraw/zinc/17/31/94/420173194.db2.gz VMUCGMDFDMVBMP-UHFFFAOYSA-N 2 1 320.393 1.916 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430967406 420227695 /nfs/dbraw/zinc/22/76/95/420227695.db2.gz SRMNTPBCLODHOF-NSHDSACASA-N 2 1 322.365 1.213 20 5 DDBDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928108 299022391 /nfs/dbraw/zinc/02/23/91/299022391.db2.gz LWWIBAAGAZMENW-AWEZNQCLSA-N 2 1 307.398 1.455 20 5 DDBDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928108 299022395 /nfs/dbraw/zinc/02/23/95/299022395.db2.gz LWWIBAAGAZMENW-AWEZNQCLSA-N 2 1 307.398 1.455 20 5 DDBDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928108 299022397 /nfs/dbraw/zinc/02/23/97/299022397.db2.gz LWWIBAAGAZMENW-AWEZNQCLSA-N 2 1 307.398 1.455 20 5 DDBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928108 299022399 /nfs/dbraw/zinc/02/23/99/299022399.db2.gz LWWIBAAGAZMENW-AWEZNQCLSA-N 2 1 307.398 1.455 20 5 DDBDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000357928108 299022402 /nfs/dbraw/zinc/02/24/02/299022402.db2.gz LWWIBAAGAZMENW-AWEZNQCLSA-N 2 1 307.398 1.455 20 5 DDBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262073041 698453272 /nfs/dbraw/zinc/45/32/72/698453272.db2.gz CVDHYRHUPSMAMV-LLCTXKFZSA-N 2 1 316.405 1.588 20 5 DDBDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979996 704041608 /nfs/dbraw/zinc/04/16/08/704041608.db2.gz FNOSITSFMQDNHV-XJKSGUPXSA-N 2 1 307.394 1.950 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000853774243 704314080 /nfs/dbraw/zinc/31/40/80/704314080.db2.gz QHKRRLYCNRNNDD-LBPRGKRZSA-N 2 1 309.414 1.861 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000853774243 704314082 /nfs/dbraw/zinc/31/40/82/704314082.db2.gz QHKRRLYCNRNNDD-LBPRGKRZSA-N 2 1 309.414 1.861 20 5 DDBDMP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876989401 705950022 /nfs/dbraw/zinc/95/00/22/705950022.db2.gz XZAWGYNAPMGDJC-IYXRBSQSSA-N 2 1 307.398 1.816 20 5 DDBDMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886839266 708859020 /nfs/dbraw/zinc/85/90/20/708859020.db2.gz AIRMYZHHNDIWHG-GJZGRUSLSA-N 2 1 320.393 1.708 20 5 DDBDMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722619 711254181 /nfs/dbraw/zinc/25/41/81/711254181.db2.gz BTPFANLQTVYTRB-GDBMZVCRSA-N 2 1 305.378 1.795 20 5 DDBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722619 711254182 /nfs/dbraw/zinc/25/41/82/711254182.db2.gz BTPFANLQTVYTRB-GDBMZVCRSA-N 2 1 305.378 1.795 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923356468 714325472 /nfs/dbraw/zinc/32/54/72/714325472.db2.gz RXWSEKQORSHOLR-HZPDHXFCSA-N 2 1 305.378 1.704 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923356468 714325476 /nfs/dbraw/zinc/32/54/76/714325476.db2.gz RXWSEKQORSHOLR-HZPDHXFCSA-N 2 1 305.378 1.704 20 5 DDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001168997114 762170028 /nfs/dbraw/zinc/17/00/28/762170028.db2.gz XUICQBTYDQSSRB-OWCLPIDISA-N 2 1 311.426 1.522 20 5 DDBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001168997114 762170032 /nfs/dbraw/zinc/17/00/32/762170032.db2.gz XUICQBTYDQSSRB-OWCLPIDISA-N 2 1 311.426 1.522 20 5 DDBDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025099 762201882 /nfs/dbraw/zinc/20/18/82/762201882.db2.gz SJDNYDMBMBWQBU-XUWVNRHRSA-N 2 1 310.442 1.142 20 5 DDBDMP [NH3+][C@@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CC[NH2+]CC1 ZINC001249327760 893932859 /nfs/dbraw/zinc/93/28/59/893932859.db2.gz QLXVNEXIEKCGGO-SNVBAGLBSA-N 2 1 322.300 1.178 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001254539900 896494404 /nfs/dbraw/zinc/49/44/04/896494404.db2.gz LPFJFFAUAJNCLZ-OAHLLOKOSA-N 2 1 320.437 1.753 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593731309 355979080 /nfs/dbraw/zinc/97/90/80/355979080.db2.gz WCHFYTQKAFFCGX-YUELXQCFSA-N 2 1 323.397 1.152 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595901802 356698117 /nfs/dbraw/zinc/69/81/17/356698117.db2.gz LQCPGKYQBJMHKG-UHFFFAOYSA-N 2 1 308.382 1.901 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000595901802 356698120 /nfs/dbraw/zinc/69/81/20/356698120.db2.gz LQCPGKYQBJMHKG-UHFFFAOYSA-N 2 1 308.382 1.901 20 5 DDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000351481243 284333438 /nfs/dbraw/zinc/33/34/38/284333438.db2.gz WSMVCSIUUKATAH-JHJVBQTASA-N 2 1 318.377 1.593 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261834685 407634995 /nfs/dbraw/zinc/63/49/95/407634995.db2.gz IFMWNWIWXQMGPY-OAHLLOKOSA-N 2 1 320.393 1.083 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261834685 407635000 /nfs/dbraw/zinc/63/50/00/407635000.db2.gz IFMWNWIWXQMGPY-OAHLLOKOSA-N 2 1 320.393 1.083 20 5 DDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261846259 407637853 /nfs/dbraw/zinc/63/78/53/407637853.db2.gz ZFQDQPMLGOXDSQ-OLZOCXBDSA-N 2 1 320.393 1.443 20 5 DDBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261954473 407687200 /nfs/dbraw/zinc/68/72/00/407687200.db2.gz NRVTZCZGEQFDHV-LLVKDONJSA-N 2 1 306.366 1.255 20 5 DDBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414849436 419839447 /nfs/dbraw/zinc/83/94/47/419839447.db2.gz RDZCEQFAKJFAQO-DGCLKSJQSA-N 2 1 306.366 1.654 20 5 DDBDMP Cn1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415048973 419921870 /nfs/dbraw/zinc/92/18/70/419921870.db2.gz ZXIZSTMEHPQKAL-FOLVSLTJSA-N 2 1 313.361 1.303 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942889 420217225 /nfs/dbraw/zinc/21/72/25/420217225.db2.gz FECVLBHKDMLODU-DGCLKSJQSA-N 2 1 309.366 1.651 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942889 420217229 /nfs/dbraw/zinc/21/72/29/420217229.db2.gz FECVLBHKDMLODU-DGCLKSJQSA-N 2 1 309.366 1.651 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000420266032 420172392 /nfs/dbraw/zinc/17/23/92/420172392.db2.gz CLEBTZIHUDUKSL-UHFFFAOYSA-N 2 1 306.366 1.607 20 5 DDBDMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420409778 420268469 /nfs/dbraw/zinc/26/84/69/420268469.db2.gz QWAJDVOFQSFSSQ-CHWSQXEVSA-N 2 1 320.393 1.840 20 5 DDBDMP C[C@H](C[C@H](C)[NH3+])[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423038577 279370275 /nfs/dbraw/zinc/37/02/75/279370275.db2.gz OMGSLKVDBCJGQN-WDEREUQCSA-N 2 1 315.395 1.084 20 5 DDBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571773014 308201795 /nfs/dbraw/zinc/20/17/95/308201795.db2.gz VNCBMWOVCGFFFK-RYUDHWBXSA-N 2 1 306.366 1.735 20 5 DDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262534280 698473545 /nfs/dbraw/zinc/47/35/45/698473545.db2.gz QAUGDRVPDOWLRX-KGLIPLIRSA-N 2 1 304.394 1.635 20 5 DDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841041627 702320001 /nfs/dbraw/zinc/32/00/01/702320001.db2.gz BRYSXVCUNJOPQD-AWEZNQCLSA-N 2 1 304.394 1.905 20 5 DDBDMP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925598202 714896332 /nfs/dbraw/zinc/89/63/32/714896332.db2.gz QQFBYGDXQUAOIU-GRIRQICOSA-N 2 1 303.362 1.560 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001155588022 862261042 /nfs/dbraw/zinc/26/10/42/862261042.db2.gz LHOTYONYQSFXFH-MIACCPTJSA-N 2 1 317.393 1.932 20 5 DDBDMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001163122607 868125418 /nfs/dbraw/zinc/12/54/18/868125418.db2.gz NKJDFAUDBRDCQT-UHFFFAOYSA-N 2 1 315.765 1.316 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001335889535 868599494 /nfs/dbraw/zinc/59/94/94/868599494.db2.gz FNXPQUZHJJAOFB-IUODEOHRSA-N 2 1 302.334 1.429 20 5 DDBDMP CC(C)[N@@H+](C)C[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595475372 356508987 /nfs/dbraw/zinc/50/89/87/356508987.db2.gz JFIRGSNUORJFAK-INIZCTEOSA-N 2 1 309.410 1.770 20 5 DDBDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000569833425 304381213 /nfs/dbraw/zinc/38/12/13/304381213.db2.gz HUJQMZAGXXFPTK-KBPBESRZSA-N 2 1 318.381 1.841 20 5 DDBDMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154254311 408002534 /nfs/dbraw/zinc/00/25/34/408002534.db2.gz GSVGOAPKFCQTPI-CABCVRRESA-N 2 1 307.394 1.428 20 5 DDBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430573984 420142320 /nfs/dbraw/zinc/14/23/20/420142320.db2.gz RRAIQXGFJNZFBM-CHWSQXEVSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378155 420249486 /nfs/dbraw/zinc/24/94/86/420249486.db2.gz WXEKLIDPMMSVTP-WQGACYEGSA-N 2 1 320.393 1.900 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396955 420262078 /nfs/dbraw/zinc/26/20/78/420262078.db2.gz FMXUGTIKASRLQR-OLZOCXBDSA-N 2 1 323.393 1.899 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396955 420262082 /nfs/dbraw/zinc/26/20/82/420262082.db2.gz FMXUGTIKASRLQR-OLZOCXBDSA-N 2 1 323.393 1.899 20 5 DDBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065899 420741614 /nfs/dbraw/zinc/74/16/14/420741614.db2.gz CRPMLZFNSRDGPR-STQMWFEESA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261653161 698431264 /nfs/dbraw/zinc/43/12/64/698431264.db2.gz FMYAGBAYEAEZHF-OCCSQVGLSA-N 2 1 320.393 1.443 20 5 DDBDMP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262082803 698453783 /nfs/dbraw/zinc/45/37/83/698453783.db2.gz FMXMGBKNVGQLNI-CQSZACIVSA-N 2 1 324.812 1.728 20 5 DDBDMP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262082803 698453785 /nfs/dbraw/zinc/45/37/85/698453785.db2.gz FMXMGBKNVGQLNI-CQSZACIVSA-N 2 1 324.812 1.728 20 5 DDBDMP C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1c1cc[nH+]cc1 ZINC000880263335 706925274 /nfs/dbraw/zinc/92/52/74/706925274.db2.gz WUZOKPGCOBETAL-ZDUSSCGKSA-N 2 1 316.365 1.397 20 5 DDBDMP Cc1c(C[NH2+]CCC[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000873022740 707697780 /nfs/dbraw/zinc/69/77/80/707697780.db2.gz XZRJNJGDRHNTLB-UHFFFAOYSA-N 2 1 307.394 1.840 20 5 DDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC000902466844 710762999 /nfs/dbraw/zinc/76/29/99/710762999.db2.gz NOAIUIDKPKGYHQ-XVIXHAIJSA-N 2 1 305.382 1.758 20 5 DDBDMP [NH3+]CC[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000923481779 714370145 /nfs/dbraw/zinc/37/01/45/714370145.db2.gz LOPMASGGSAWMTA-DOMZBBRYSA-N 2 1 318.377 1.371 20 5 DDBDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001148638715 773561555 /nfs/dbraw/zinc/56/15/55/773561555.db2.gz OLAOURMPFHSYGM-UHFFFAOYSA-N 2 1 314.411 1.204 20 5 DDBDMP CCOc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160513544 865898172 /nfs/dbraw/zinc/89/81/72/865898172.db2.gz PDAXZRBQDMYGIH-HNNXBMFYSA-N 2 1 321.381 1.224 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001161867550 867046664 /nfs/dbraw/zinc/04/66/64/867046664.db2.gz JVOHNLQSBHJKBD-UHFFFAOYSA-N 2 1 316.365 1.373 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)ncc1[N+](=O)[O-] ZINC001162798733 867833044 /nfs/dbraw/zinc/83/30/44/867833044.db2.gz UMYKEWIYQUZRII-LHHWMGCDSA-N 2 1 315.377 1.708 20 5 DDBDMP C[N@@H+]1CC=C(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC001335398425 868271483 /nfs/dbraw/zinc/27/14/83/868271483.db2.gz PDDKRGDHYKNIQQ-CQSZACIVSA-N 2 1 321.377 1.186 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+][C@H]3CC[NH2+]CC[C@@H]31)C2 ZINC001246619412 892741203 /nfs/dbraw/zinc/74/12/03/892741203.db2.gz QYBCIMNRCMDXBO-IKGGRYGDSA-N 2 1 316.405 1.088 20 5 DDBDMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591278502 355276794 /nfs/dbraw/zinc/27/67/94/355276794.db2.gz IYIWBAWDINYWCG-VXGBXAGGSA-N 2 1 307.350 1.726 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472263 355592554 /nfs/dbraw/zinc/59/25/54/355592554.db2.gz PLGMWZAPRUGUOQ-CQSZACIVSA-N 2 1 306.410 1.801 20 5 DDBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775857 359182709 /nfs/dbraw/zinc/18/27/09/359182709.db2.gz CIDNRSDEAMTOPM-TZMCWYRMSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775857 359182715 /nfs/dbraw/zinc/18/27/15/359182715.db2.gz CIDNRSDEAMTOPM-TZMCWYRMSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775857 359182720 /nfs/dbraw/zinc/18/27/20/359182720.db2.gz CIDNRSDEAMTOPM-TZMCWYRMSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775857 359182723 /nfs/dbraw/zinc/18/27/23/359182723.db2.gz CIDNRSDEAMTOPM-TZMCWYRMSA-N 2 1 309.414 1.904 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000420306754 292295356 /nfs/dbraw/zinc/29/53/56/292295356.db2.gz BBXJLPPCFDPGHN-GDBMZVCRSA-N 2 1 318.421 1.944 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381744 420251019 /nfs/dbraw/zinc/25/10/19/420251019.db2.gz ZJHWHSGTCDHDCS-HSMVNMDESA-N 2 1 320.393 1.900 20 5 DDBDMP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262437525 698469453 /nfs/dbraw/zinc/46/94/53/698469453.db2.gz GLWBDRPMAFUIBU-CQSZACIVSA-N 2 1 308.357 1.213 20 5 DDBDMP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262437525 698469456 /nfs/dbraw/zinc/46/94/56/698469456.db2.gz GLWBDRPMAFUIBU-CQSZACIVSA-N 2 1 308.357 1.213 20 5 DDBDMP CCCN(CC[NH+](C)C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870910879 704165133 /nfs/dbraw/zinc/16/51/33/704165133.db2.gz VHPFKXWAOQOODO-MRXNPFEDSA-N 2 1 322.409 1.569 20 5 DDBDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030386 762186619 /nfs/dbraw/zinc/18/66/19/762186619.db2.gz ZDLKVPIZLJANCO-ZIAGYGMSSA-N 2 1 315.414 1.249 20 5 DDBDMP C[N@@H+]1CCc2c(NC[C@@H]3C[C@H](F)C[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001162481165 867564622 /nfs/dbraw/zinc/56/46/22/867564622.db2.gz KKUDCEIULRIUEX-QWRGUYRKSA-N 2 1 308.357 1.695 20 5 DDBDMP C[N@H+]1CCc2c(NC[C@@H]3C[C@H](F)C[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001162481165 867564632 /nfs/dbraw/zinc/56/46/32/867564632.db2.gz KKUDCEIULRIUEX-QWRGUYRKSA-N 2 1 308.357 1.695 20 5 DDBDMP C[N@@H+](CCO)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308647824 871518228 /nfs/dbraw/zinc/51/82/28/871518228.db2.gz ROQJUDZYWFUVRZ-UHFFFAOYSA-N 2 1 321.421 1.773 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593731305 355978712 /nfs/dbraw/zinc/97/87/12/355978712.db2.gz WCHFYTQKAFFCGX-SNPRPXQTSA-N 2 1 323.397 1.152 20 5 DDBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775855 359181979 /nfs/dbraw/zinc/18/19/79/359181979.db2.gz CIDNRSDEAMTOPM-JSGCOSHPSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775855 359181982 /nfs/dbraw/zinc/18/19/82/359181982.db2.gz CIDNRSDEAMTOPM-JSGCOSHPSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[NH+]1CC[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775855 359181984 /nfs/dbraw/zinc/18/19/84/359181984.db2.gz CIDNRSDEAMTOPM-JSGCOSHPSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775855 359181987 /nfs/dbraw/zinc/18/19/87/359181987.db2.gz CIDNRSDEAMTOPM-JSGCOSHPSA-N 2 1 309.414 1.904 20 5 DDBDMP Cn1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603429022 359635563 /nfs/dbraw/zinc/63/55/63/359635563.db2.gz LBZSJOQUOXGUSR-UONOGXRCSA-N 2 1 323.397 1.047 20 5 DDBDMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261929102 407674826 /nfs/dbraw/zinc/67/48/26/407674826.db2.gz JGTCURXTKDDIQS-NSHDSACASA-N 2 1 306.366 1.593 20 5 DDBDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248439173 408566945 /nfs/dbraw/zinc/56/69/45/408566945.db2.gz CFRFSKWFLCUFAF-UONOGXRCSA-N 2 1 323.393 1.218 20 5 DDBDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248439173 408566953 /nfs/dbraw/zinc/56/69/53/408566953.db2.gz CFRFSKWFLCUFAF-UONOGXRCSA-N 2 1 323.393 1.218 20 5 DDBDMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579943454 422859116 /nfs/dbraw/zinc/85/91/16/422859116.db2.gz LHHUVCJBZPHKTK-CQSZACIVSA-N 2 1 323.393 1.408 20 5 DDBDMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000360565417 418466454 /nfs/dbraw/zinc/46/64/54/418466454.db2.gz UPUUXUSCHQASPG-MRXNPFEDSA-N 2 1 318.377 1.609 20 5 DDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430934694 420213641 /nfs/dbraw/zinc/21/36/41/420213641.db2.gz QLSGWTAZUQJVGN-LBPRGKRZSA-N 2 1 306.366 1.465 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430966981 420229251 /nfs/dbraw/zinc/22/92/51/420229251.db2.gz QSKQIVFRZXVKSP-GFCCVEGCSA-N 2 1 306.366 1.512 20 5 DDBDMP C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1[NH3+] ZINC000843353687 702865101 /nfs/dbraw/zinc/86/51/01/702865101.db2.gz MXRDREDUEFAZAB-GWCFXTLKSA-N 2 1 324.356 1.732 20 5 DDBDMP C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@H]1[NH3+] ZINC000843353688 702865161 /nfs/dbraw/zinc/86/51/61/702865161.db2.gz MXRDREDUEFAZAB-GXFFZTMASA-N 2 1 324.356 1.732 20 5 DDBDMP COc1c(O)c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000903978452 711355889 /nfs/dbraw/zinc/35/58/89/711355889.db2.gz FUMDREDTLDGSTQ-GHMZBOCLSA-N 2 1 309.366 1.644 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359566 714327008 /nfs/dbraw/zinc/32/70/08/714327008.db2.gz RXZAGXSIGIZTCF-XPKDYRNWSA-N 2 1 321.377 1.018 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359566 714327009 /nfs/dbraw/zinc/32/70/09/714327009.db2.gz RXZAGXSIGIZTCF-XPKDYRNWSA-N 2 1 321.377 1.018 20 5 DDBDMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001336763994 869130621 /nfs/dbraw/zinc/13/06/21/869130621.db2.gz WRWDKIAJGLWVAZ-CYBMUJFWSA-N 2 1 320.393 1.855 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CCC[NH3+])CC1 ZINC001254539154 896494546 /nfs/dbraw/zinc/49/45/46/896494546.db2.gz GHWHUODXPREBRZ-AWEZNQCLSA-N 2 1 306.410 1.492 20 5 DDBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554611 185303153 /nfs/dbraw/zinc/30/31/53/185303153.db2.gz XKLIMMWUUVNKCH-HIFRSBDPSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554611 185303154 /nfs/dbraw/zinc/30/31/54/185303154.db2.gz XKLIMMWUUVNKCH-HIFRSBDPSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554611 185303155 /nfs/dbraw/zinc/30/31/55/185303155.db2.gz XKLIMMWUUVNKCH-HIFRSBDPSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000090554611 185303156 /nfs/dbraw/zinc/30/31/56/185303156.db2.gz XKLIMMWUUVNKCH-HIFRSBDPSA-N 2 1 322.409 1.419 20 5 DDBDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173383964 198208232 /nfs/dbraw/zinc/20/82/32/198208232.db2.gz RZSJIAYAFQMHBA-CYBMUJFWSA-N 2 1 320.393 1.410 20 5 DDBDMP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCC[NH2+]CC1)OCCO2 ZINC000591278573 355276976 /nfs/dbraw/zinc/27/69/76/355276976.db2.gz SIVGQOYCCJDJQZ-GFCCVEGCSA-N 2 1 307.350 1.598 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000611533299 360751131 /nfs/dbraw/zinc/75/11/31/360751131.db2.gz UXSBRDHXUXHYTO-UHFFFAOYSA-N 2 1 316.365 1.317 20 5 DDBDMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633648 193277201 /nfs/dbraw/zinc/27/72/01/193277201.db2.gz FHUYZBJNPAJCJP-UHFFFAOYSA-N 2 1 312.801 1.585 20 5 DDBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633648 193277203 /nfs/dbraw/zinc/27/72/03/193277203.db2.gz FHUYZBJNPAJCJP-UHFFFAOYSA-N 2 1 312.801 1.585 20 5 DDBDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000130491253 407693595 /nfs/dbraw/zinc/69/35/95/407693595.db2.gz KFMWQFQMIZNZHO-UHFFFAOYSA-N 2 1 319.365 1.284 20 5 DDBDMP Cc1[nH+]ccn1CCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000130491253 407693600 /nfs/dbraw/zinc/69/36/00/407693600.db2.gz KFMWQFQMIZNZHO-UHFFFAOYSA-N 2 1 319.365 1.284 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942890 420216402 /nfs/dbraw/zinc/21/64/02/420216402.db2.gz FECVLBHKDMLODU-WCQYABFASA-N 2 1 309.366 1.651 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942890 420216407 /nfs/dbraw/zinc/21/64/07/420216407.db2.gz FECVLBHKDMLODU-WCQYABFASA-N 2 1 309.366 1.651 20 5 DDBDMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430929005 420211628 /nfs/dbraw/zinc/21/16/28/420211628.db2.gz MOGXUJSCGSPVSV-LLVKDONJSA-N 2 1 322.365 1.213 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442778364 420713982 /nfs/dbraw/zinc/71/39/82/420713982.db2.gz FZBSARZYGULONM-OLZOCXBDSA-N 2 1 320.393 1.901 20 5 DDBDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccccc2[N+](=O)[O-])C1 ZINC000779654735 698449983 /nfs/dbraw/zinc/44/99/83/698449983.db2.gz QQQWUCJVDZYUNG-CQSZACIVSA-N 2 1 322.365 1.702 20 5 DDBDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccccc2[N+](=O)[O-])C1 ZINC000779654735 698449985 /nfs/dbraw/zinc/44/99/85/698449985.db2.gz QQQWUCJVDZYUNG-CQSZACIVSA-N 2 1 322.365 1.702 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371045 714331648 /nfs/dbraw/zinc/33/16/48/714331648.db2.gz URIYHHQVQCWIBF-BRXULGCHSA-N 2 1 323.393 1.311 20 5 DDBDMP [NH3+]CC[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000923481782 714370020 /nfs/dbraw/zinc/37/00/20/714370020.db2.gz LOPMASGGSAWMTA-WFASDCNBSA-N 2 1 318.377 1.371 20 5 DDBDMP Cc1cncc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001118535865 781152868 /nfs/dbraw/zinc/15/28/68/781152868.db2.gz GSTFGBHLABZIIB-ZDUSSCGKSA-N 2 1 309.414 1.404 20 5 DDBDMP Cc1cncc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001118535865 781152872 /nfs/dbraw/zinc/15/28/72/781152872.db2.gz GSTFGBHLABZIIB-ZDUSSCGKSA-N 2 1 309.414 1.404 20 5 DDBDMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1O2 ZINC001336733203 869114923 /nfs/dbraw/zinc/11/49/23/869114923.db2.gz KQBLOOAKHDJKJC-AWEZNQCLSA-N 2 1 305.378 1.841 20 5 DDBDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570548 879104864 /nfs/dbraw/zinc/10/48/64/879104864.db2.gz MQJJLYASOSONOP-UONOGXRCSA-N 2 1 323.393 1.266 20 5 DDBDMP [NH3+][C@]12C[C@H]1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246870272 892961672 /nfs/dbraw/zinc/96/16/72/892961672.db2.gz OGZWMFNJWQTFMJ-LRDDRELGSA-N 2 1 302.378 1.597 20 5 DDBDMP [NH3+][C@]12C[C@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246870272 892961687 /nfs/dbraw/zinc/96/16/87/892961687.db2.gz OGZWMFNJWQTFMJ-LRDDRELGSA-N 2 1 302.378 1.597 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592983070 355762801 /nfs/dbraw/zinc/76/28/01/355762801.db2.gz PHCSGVWTPOCJSQ-KBPBESRZSA-N 2 1 307.398 1.503 20 5 DDBDMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682139 357685346 /nfs/dbraw/zinc/68/53/46/357685346.db2.gz MDEPJIBVZRUTRE-MLGOLLRUSA-N 2 1 318.377 1.737 20 5 DDBDMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682139 357685350 /nfs/dbraw/zinc/68/53/50/357685350.db2.gz MDEPJIBVZRUTRE-MLGOLLRUSA-N 2 1 318.377 1.737 20 5 DDBDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125223884 407382012 /nfs/dbraw/zinc/38/20/12/407382012.db2.gz IUDPJRCCILMRBC-UONOGXRCSA-N 2 1 319.409 1.960 20 5 DDBDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125223884 407382014 /nfs/dbraw/zinc/38/20/14/407382014.db2.gz IUDPJRCCILMRBC-UONOGXRCSA-N 2 1 319.409 1.960 20 5 DDBDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125223884 407382016 /nfs/dbraw/zinc/38/20/16/407382016.db2.gz IUDPJRCCILMRBC-UONOGXRCSA-N 2 1 319.409 1.960 20 5 DDBDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125223884 407382017 /nfs/dbraw/zinc/38/20/17/407382017.db2.gz IUDPJRCCILMRBC-UONOGXRCSA-N 2 1 319.409 1.960 20 5 DDBDMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1[N+](=O)[O-] ZINC000324104444 409924034 /nfs/dbraw/zinc/92/40/34/409924034.db2.gz CZIJQSNCNPJHSY-BETUJISGSA-N 2 1 318.377 1.465 20 5 DDBDMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000338224835 306735636 /nfs/dbraw/zinc/73/56/36/306735636.db2.gz GTVPZKUMVAVMMM-IMJJTQAJSA-N 2 1 321.421 1.818 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351407 420228455 /nfs/dbraw/zinc/22/84/55/420228455.db2.gz WYGSUEROXXCTFI-ZBFHGGJFSA-N 2 1 318.421 1.944 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430967405 420228514 /nfs/dbraw/zinc/22/85/14/420228514.db2.gz SRMNTPBCLODHOF-LLVKDONJSA-N 2 1 322.365 1.213 20 5 DDBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120796 702823913 /nfs/dbraw/zinc/82/39/13/702823913.db2.gz CVDHYRHUPSMAMV-IMMZDGJCSA-N 2 1 316.405 1.588 20 5 DDBDMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843381313 702870541 /nfs/dbraw/zinc/87/05/41/702870541.db2.gz COWGVPXZSHIONC-OAHLLOKOSA-N 2 1 324.356 1.733 20 5 DDBDMP CCO[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C[NH+](C)C ZINC000896877224 708170215 /nfs/dbraw/zinc/17/02/15/708170215.db2.gz IBJLGODHNRYKHU-YIZWMMSDSA-N 2 1 311.386 1.051 20 5 DDBDMP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000904335980 711842900 /nfs/dbraw/zinc/84/29/00/711842900.db2.gz KWPKWFZRCUXXLS-PHIMTYICSA-N 2 1 324.406 1.151 20 5 DDBDMP C[N@@H+]1CCc2c(NC(=[NH2+])NCCCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001167884113 739177649 /nfs/dbraw/zinc/17/76/49/739177649.db2.gz RHFPXZQHOUWYGG-UHFFFAOYSA-N 3 1 320.397 1.258 20 5 DDBDMP C[N@H+]1CCc2c(NC(=[NH2+])NCCCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001167884113 739177652 /nfs/dbraw/zinc/17/76/52/739177652.db2.gz RHFPXZQHOUWYGG-UHFFFAOYSA-N 3 1 320.397 1.258 20 5 DDBDMP Cc1cnc(C[NH3+])n1-c1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001169031019 762187688 /nfs/dbraw/zinc/18/76/88/762187688.db2.gz UWHYTTKDEXNYAN-UHFFFAOYSA-N 2 1 301.350 1.536 20 5 DDBDMP Cc1cnc(C[NH3+])n1-c1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001169031019 762187691 /nfs/dbraw/zinc/18/76/91/762187691.db2.gz UWHYTTKDEXNYAN-UHFFFAOYSA-N 2 1 301.350 1.536 20 5 DDBDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001170210494 766170597 /nfs/dbraw/zinc/17/05/97/766170597.db2.gz AHUAYKFXRORVIM-UHFFFAOYSA-N 2 1 322.409 1.533 20 5 DDBDMP Cc1cnc(C[NH3+])n1-c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001158166525 864466101 /nfs/dbraw/zinc/46/61/01/864466101.db2.gz LYILZVCCYDHBQG-SNAWJCMRSA-N 2 1 302.338 1.475 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC001345136677 873268678 /nfs/dbraw/zinc/26/86/78/873268678.db2.gz HWIVGDABUYJPMK-DLBZAZTESA-N 2 1 317.389 1.722 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC001345136677 873268686 /nfs/dbraw/zinc/26/86/86/873268686.db2.gz HWIVGDABUYJPMK-DLBZAZTESA-N 2 1 317.389 1.722 20 5 DDBDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552603 185303006 /nfs/dbraw/zinc/30/30/06/185303006.db2.gz IHEYZFTXTUANNS-HIFRSBDPSA-N 2 1 320.393 1.173 20 5 DDBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552603 185303007 /nfs/dbraw/zinc/30/30/07/185303007.db2.gz IHEYZFTXTUANNS-HIFRSBDPSA-N 2 1 320.393 1.173 20 5 DDBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552603 185303008 /nfs/dbraw/zinc/30/30/08/185303008.db2.gz IHEYZFTXTUANNS-HIFRSBDPSA-N 2 1 320.393 1.173 20 5 DDBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552603 185303009 /nfs/dbraw/zinc/30/30/09/185303009.db2.gz IHEYZFTXTUANNS-HIFRSBDPSA-N 2 1 320.393 1.173 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000593736105 355981074 /nfs/dbraw/zinc/98/10/74/355981074.db2.gz GIUBMONYPBBBLC-GZBFAFLISA-N 2 1 323.397 1.010 20 5 DDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796225 359197985 /nfs/dbraw/zinc/19/79/85/359197985.db2.gz WOHWKNOSUCWOKD-GXTWGEPZSA-N 2 1 309.414 1.762 20 5 DDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414981203 419904298 /nfs/dbraw/zinc/90/42/98/419904298.db2.gz XKFSDMNBLANJGQ-UKRRQHHQSA-N 2 1 306.410 1.409 20 5 DDBDMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420301704 420191320 /nfs/dbraw/zinc/19/13/20/420191320.db2.gz IUFZPBOSIQMUFZ-OAHLLOKOSA-N 2 1 308.382 1.886 20 5 DDBDMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430927960 420208024 /nfs/dbraw/zinc/20/80/24/420208024.db2.gz KAQSVTWKPVCXLE-LBPRGKRZSA-N 2 1 320.393 1.853 20 5 DDBDMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430639439 420167377 /nfs/dbraw/zinc/16/73/77/420167377.db2.gz FMTKPYOTNCNWKN-GFCCVEGCSA-N 2 1 306.366 1.594 20 5 DDBDMP O=[N+]([O-])c1cccc(C[N@@H+](CCN2CC[NH2+]CC2)C2CC2)c1 ZINC000420352428 420229046 /nfs/dbraw/zinc/22/90/46/420229046.db2.gz ANURRKUVKQMYHN-UHFFFAOYSA-N 2 1 304.394 1.464 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442761773 420709054 /nfs/dbraw/zinc/70/90/54/420709054.db2.gz YPYDSMJOHYAEEH-STQMWFEESA-N 2 1 320.393 1.901 20 5 DDBDMP COC[C@]1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000423408910 277609475 /nfs/dbraw/zinc/60/94/75/277609475.db2.gz BBTVIQQMTUVADC-XJKSGUPXSA-N 2 1 307.394 1.884 20 5 DDBDMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397318192 302353174 /nfs/dbraw/zinc/35/31/74/302353174.db2.gz MCIQNUJOSRLGSM-UHIISALHSA-N 2 1 320.393 1.499 20 5 DDBDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397318192 302353179 /nfs/dbraw/zinc/35/31/79/302353179.db2.gz MCIQNUJOSRLGSM-UHIISALHSA-N 2 1 320.393 1.499 20 5 DDBDMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782480616 698728162 /nfs/dbraw/zinc/72/81/62/698728162.db2.gz BAGCJZICIGYUMC-PHIMTYICSA-N 2 1 322.340 1.214 20 5 DDBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000729683809 699485183 /nfs/dbraw/zinc/48/51/83/699485183.db2.gz BNHMPKQQOOHIQE-UHFFFAOYSA-N 2 1 312.439 1.774 20 5 DDBDMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843348164 702863994 /nfs/dbraw/zinc/86/39/94/702863994.db2.gz ACHTXHSAUMQXGG-JTQLQIEISA-N 2 1 310.329 1.343 20 5 DDBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000923330845 714317107 /nfs/dbraw/zinc/31/71/07/714317107.db2.gz CJSDOWYUUOJWJF-SLBVQIDZSA-N 2 1 305.378 1.687 20 5 DDBDMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923379846 714334770 /nfs/dbraw/zinc/33/47/70/714334770.db2.gz ABGFVIVNJNLOMI-FAXLKDOZSA-N 2 1 307.394 1.933 20 5 DDBDMP C[NH+](C)/C=C/c1cc(-n2ccc(CC[NH3+])n2)ncc1[N+](=O)[O-] ZINC001156905208 764076417 /nfs/dbraw/zinc/07/64/17/764076417.db2.gz HTYQHPNYKCDZOJ-QPJJXVBHSA-N 2 1 302.338 1.209 20 5 DDBDMP C[N@@H+]1CC=C(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335441871 868299063 /nfs/dbraw/zinc/29/90/63/868299063.db2.gz SUBCVPZJDHUBAK-HNNXBMFYSA-N 2 1 321.377 1.186 20 5 DDBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000278524202 214211290 /nfs/dbraw/zinc/21/12/90/214211290.db2.gz CXOHXKLVYHOAIV-UHFFFAOYSA-N 2 1 324.400 1.803 20 5 DDBDMP COc1cccc(NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596424651 356875553 /nfs/dbraw/zinc/87/55/53/356875553.db2.gz IXYIEDABZSMCMZ-UHFFFAOYSA-N 2 1 310.398 1.899 20 5 DDBDMP COc1cccc(NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596424651 356875555 /nfs/dbraw/zinc/87/55/55/356875555.db2.gz IXYIEDABZSMCMZ-UHFFFAOYSA-N 2 1 310.398 1.899 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601191190 358440664 /nfs/dbraw/zinc/44/06/64/358440664.db2.gz JZYNVPRVGYUCIL-NSHDSACASA-N 2 1 313.377 1.813 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000601191190 358440667 /nfs/dbraw/zinc/44/06/67/358440667.db2.gz JZYNVPRVGYUCIL-NSHDSACASA-N 2 1 313.377 1.813 20 5 DDBDMP C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCC[NH+](C)C1 ZINC000090550397 407170125 /nfs/dbraw/zinc/17/01/25/407170125.db2.gz YGDDNLZMJVOZLN-ZDUSSCGKSA-N 2 1 308.382 1.030 20 5 DDBDMP C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCC[NH+](C)C1 ZINC000090550397 407170128 /nfs/dbraw/zinc/17/01/28/407170128.db2.gz YGDDNLZMJVOZLN-ZDUSSCGKSA-N 2 1 308.382 1.030 20 5 DDBDMP C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000090550397 407170130 /nfs/dbraw/zinc/17/01/30/407170130.db2.gz YGDDNLZMJVOZLN-ZDUSSCGKSA-N 2 1 308.382 1.030 20 5 DDBDMP C[NH+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000090550397 407170132 /nfs/dbraw/zinc/17/01/32/407170132.db2.gz YGDDNLZMJVOZLN-ZDUSSCGKSA-N 2 1 308.382 1.030 20 5 DDBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430629056 420164909 /nfs/dbraw/zinc/16/49/09/420164909.db2.gz PLDQEIPQVLYTMX-NSHDSACASA-N 2 1 324.356 1.021 20 5 DDBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430629056 420164912 /nfs/dbraw/zinc/16/49/12/420164912.db2.gz PLDQEIPQVLYTMX-NSHDSACASA-N 2 1 324.356 1.021 20 5 DDBDMP COc1c(O)ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000893304368 710591464 /nfs/dbraw/zinc/59/14/64/710591464.db2.gz MQBPTHIEJGGPQT-UHFFFAOYSA-N 2 1 307.350 1.661 20 5 DDBDMP COc1c(O)ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC001336735307 869114985 /nfs/dbraw/zinc/11/49/85/869114985.db2.gz MTTIOLZKNYTMKE-PWSUYJOCSA-N 2 1 309.366 1.881 20 5 DDBDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001206530924 872416554 /nfs/dbraw/zinc/41/65/54/872416554.db2.gz WWLNBBAMJJAXJL-HOCLYGCPSA-N 2 1 308.385 1.534 20 5 DDBDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1O ZINC001206530924 872416561 /nfs/dbraw/zinc/41/65/61/872416561.db2.gz WWLNBBAMJJAXJL-HOCLYGCPSA-N 2 1 308.385 1.534 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000593739150 355981615 /nfs/dbraw/zinc/98/16/15/355981615.db2.gz YFQJKYHFMTZRJA-MJBXVCDLSA-N 2 1 323.397 1.010 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000594497731 356237430 /nfs/dbraw/zinc/23/74/30/356237430.db2.gz DYUZRYJFFBBHBC-HNNXBMFYSA-N 2 1 323.397 1.024 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595901339 356698350 /nfs/dbraw/zinc/69/83/50/356698350.db2.gz FDTCPNRWMNXGFZ-UHFFFAOYSA-N 2 1 308.382 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000595901339 356698353 /nfs/dbraw/zinc/69/83/53/356698353.db2.gz FDTCPNRWMNXGFZ-UHFFFAOYSA-N 2 1 308.382 1.901 20 5 DDBDMP Cc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000269352950 408278279 /nfs/dbraw/zinc/27/82/79/408278279.db2.gz LCRZZTWPISHSKD-UHFFFAOYSA-N 2 1 307.394 1.792 20 5 DDBDMP Cc1ccc(C[N@H+](CCO)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000269352950 408278281 /nfs/dbraw/zinc/27/82/81/408278281.db2.gz LCRZZTWPISHSKD-UHFFFAOYSA-N 2 1 307.394 1.792 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351847587 410284436 /nfs/dbraw/zinc/28/44/36/410284436.db2.gz AQPRIDCYSKHMQV-NEPJUHHUSA-N 2 1 309.366 1.651 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903882801 711315969 /nfs/dbraw/zinc/31/59/69/711315969.db2.gz PVKQNWOUUQFGHT-CYBMUJFWSA-N 2 1 303.362 1.474 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903882801 711315974 /nfs/dbraw/zinc/31/59/74/711315974.db2.gz PVKQNWOUUQFGHT-CYBMUJFWSA-N 2 1 303.362 1.474 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000923281175 714295618 /nfs/dbraw/zinc/29/56/18/714295618.db2.gz KUPBEMCOMHKZBS-INIZCTEOSA-N 2 1 305.378 1.845 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000923281175 714295620 /nfs/dbraw/zinc/29/56/20/714295620.db2.gz KUPBEMCOMHKZBS-INIZCTEOSA-N 2 1 305.378 1.845 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000923362902 714327977 /nfs/dbraw/zinc/32/79/77/714327977.db2.gz QKWSZQBAKLRLJX-ZMSDIMECSA-N 2 1 319.405 1.950 20 5 DDBDMP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925598205 714896105 /nfs/dbraw/zinc/89/61/05/714896105.db2.gz QQFBYGDXQUAOIU-URLAMEQQSA-N 2 1 303.362 1.560 20 5 DDBDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001129526412 766915436 /nfs/dbraw/zinc/91/54/36/766915436.db2.gz FVVBFRVFZMNZNH-UHFFFAOYSA-N 2 1 320.393 1.285 20 5 DDBDMP Cc1cc(C[NH3+])nn1-c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156042411 862668347 /nfs/dbraw/zinc/66/83/47/862668347.db2.gz JRYMEBKFGGWTPH-SNAWJCMRSA-N 2 1 302.338 1.475 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC001357244260 879874642 /nfs/dbraw/zinc/87/46/42/879874642.db2.gz YTDHORQIBQHZKZ-VNQPRFMTSA-N 2 1 305.378 1.845 20 5 DDBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347572330 283231671 /nfs/dbraw/zinc/23/16/71/283231671.db2.gz SOKFIALDGAGRFY-UHFFFAOYSA-N 2 1 309.414 1.882 20 5 DDBDMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682141 357684974 /nfs/dbraw/zinc/68/49/74/357684974.db2.gz MDEPJIBVZRUTRE-WBMJQRKESA-N 2 1 318.377 1.737 20 5 DDBDMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682141 357684979 /nfs/dbraw/zinc/68/49/79/357684979.db2.gz MDEPJIBVZRUTRE-WBMJQRKESA-N 2 1 318.377 1.737 20 5 DDBDMP CN(CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000289571641 221075794 /nfs/dbraw/zinc/07/57/94/221075794.db2.gz YLOMINMMRPAJLY-UHFFFAOYSA-N 2 1 308.426 1.910 20 5 DDBDMP NC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000323947347 409922764 /nfs/dbraw/zinc/92/27/64/409922764.db2.gz BYXDXEHONSYEAM-BETUJISGSA-N 2 1 318.377 1.125 20 5 DDBDMP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000415122363 419954545 /nfs/dbraw/zinc/95/45/45/419954545.db2.gz IFIBBJGSHYNXIU-AWEZNQCLSA-N 2 1 316.365 1.482 20 5 DDBDMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420416778 420273322 /nfs/dbraw/zinc/27/33/22/420273322.db2.gz VVOOFOBBHJZKJN-QWHCGFSZSA-N 2 1 320.393 1.840 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430946078 420219118 /nfs/dbraw/zinc/21/91/18/420219118.db2.gz YYXIOKUZANYTAX-TZMCWYRMSA-N 2 1 320.393 1.901 20 5 DDBDMP CN(C(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000843353845 702865277 /nfs/dbraw/zinc/86/52/77/702865277.db2.gz MOOATFPEWXUBDW-UHFFFAOYSA-N 2 1 320.393 1.759 20 5 DDBDMP [NH3+]CCN(Cc1c[nH+]c2n1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000825903713 705743544 /nfs/dbraw/zinc/74/35/44/705743544.db2.gz PEQMDAUCAIQDCM-UHFFFAOYSA-N 2 1 301.350 1.703 20 5 DDBDMP C[NH+](C)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000876898454 705913461 /nfs/dbraw/zinc/91/34/61/705913461.db2.gz BFVRTGYTUWJRDM-UHFFFAOYSA-N 2 1 307.398 1.959 20 5 DDBDMP Cc1cc(NCC[N@@H+](C)CCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000884825155 708388120 /nfs/dbraw/zinc/38/81/20/708388120.db2.gz IFJDLALIVFTLTN-UHFFFAOYSA-N 2 1 304.350 1.209 20 5 DDBDMP C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923279991 714295659 /nfs/dbraw/zinc/29/56/59/714295659.db2.gz VYIQEPVYYNYJPW-AWEZNQCLSA-N 2 1 309.366 1.018 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359563 714326727 /nfs/dbraw/zinc/32/67/27/714326727.db2.gz RXZAGXSIGIZTCF-BJJXKVORSA-N 2 1 321.377 1.018 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000923359563 714326729 /nfs/dbraw/zinc/32/67/29/714326729.db2.gz RXZAGXSIGIZTCF-BJJXKVORSA-N 2 1 321.377 1.018 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001335889533 868598661 /nfs/dbraw/zinc/59/86/61/868598661.db2.gz FNXPQUZHJJAOFB-DOMZBBRYSA-N 2 1 302.334 1.429 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001336016244 868680262 /nfs/dbraw/zinc/68/02/62/868680262.db2.gz DNWZGBSQDVQGAH-DOMZBBRYSA-N 2 1 302.334 1.429 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@H]3[NH2+]C[C@H]32)ncc1[N+](=O)[O-] ZINC001165396258 869566595 /nfs/dbraw/zinc/56/65/95/869566595.db2.gz ZKDHVQWAIVMKLF-RCOIXESOSA-N 2 1 303.366 1.463 20 5 DDBDMP N[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1F ZINC000595907501 356701127 /nfs/dbraw/zinc/70/11/27/356701127.db2.gz WBOYCXSEPOGKJV-CHWSQXEVSA-N 2 1 310.329 1.295 20 5 DDBDMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682020 357685094 /nfs/dbraw/zinc/68/50/94/357685094.db2.gz KPQHPYXTMBVGDN-WBMJQRKESA-N 2 1 318.377 1.737 20 5 DDBDMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682020 357685100 /nfs/dbraw/zinc/68/51/00/357685100.db2.gz KPQHPYXTMBVGDN-WBMJQRKESA-N 2 1 318.377 1.737 20 5 DDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602796229 359197500 /nfs/dbraw/zinc/19/75/00/359197500.db2.gz WOHWKNOSUCWOKD-JSGCOSHPSA-N 2 1 309.414 1.762 20 5 DDBDMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193626939 163261653 /nfs/dbraw/zinc/26/16/53/163261653.db2.gz OIIVTAICBQWVBE-BETUJISGSA-N 2 1 318.377 1.417 20 5 DDBDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193626939 163261657 /nfs/dbraw/zinc/26/16/57/163261657.db2.gz OIIVTAICBQWVBE-BETUJISGSA-N 2 1 318.377 1.417 20 5 DDBDMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000193626939 163261660 /nfs/dbraw/zinc/26/16/60/163261660.db2.gz OIIVTAICBQWVBE-BETUJISGSA-N 2 1 318.377 1.417 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000420303750 420194746 /nfs/dbraw/zinc/19/47/46/420194746.db2.gz DFXXIWHZRZYGKO-CYBMUJFWSA-N 2 1 320.393 1.997 20 5 DDBDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430928518 420211082 /nfs/dbraw/zinc/21/10/82/420211082.db2.gz UJSXJESTBMWHQQ-STQMWFEESA-N 2 1 320.393 1.983 20 5 DDBDMP CN(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000443070151 420741710 /nfs/dbraw/zinc/74/17/10/420741710.db2.gz KTAUACHHIHUOJL-ZDUSSCGKSA-N 2 1 320.393 1.618 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442778372 420713822 /nfs/dbraw/zinc/71/38/22/420713822.db2.gz FZBSARZYGULONM-STQMWFEESA-N 2 1 320.393 1.901 20 5 DDBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000344869419 272132615 /nfs/dbraw/zinc/13/26/15/272132615.db2.gz RSIKXSZJQXYRFY-LPDYGMJQSA-N 2 1 305.378 1.654 20 5 DDBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000344869419 272132618 /nfs/dbraw/zinc/13/26/18/272132618.db2.gz RSIKXSZJQXYRFY-LPDYGMJQSA-N 2 1 305.378 1.654 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420306758 281021110 /nfs/dbraw/zinc/02/11/10/281021110.db2.gz BBXJLPPCFDPGHN-HOCLYGCPSA-N 2 1 318.421 1.944 20 5 DDBDMP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000873256456 707786614 /nfs/dbraw/zinc/78/66/14/707786614.db2.gz MUGHOABSVOTZIO-UXIGCNINSA-N 2 1 315.377 1.745 20 5 DDBDMP COc1c(O)ccc(CNC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000892946994 710530297 /nfs/dbraw/zinc/53/02/97/710530297.db2.gz WAVMPJARLWECHD-LLVKDONJSA-N 2 1 309.366 1.740 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931479817 714107482 /nfs/dbraw/zinc/10/74/82/714107482.db2.gz CLHVVVVZONBDLW-UHFFFAOYSA-N 2 1 323.393 1.492 20 5 DDBDMP C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000923335930 714319346 /nfs/dbraw/zinc/31/93/46/714319346.db2.gz SGXPIPUFIDIMDB-ZIAGYGMSSA-N 2 1 323.393 1.408 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000923413770 714348152 /nfs/dbraw/zinc/34/81/52/714348152.db2.gz GZUSNTRYHHAZFG-NUEKZKHPSA-N 2 1 305.378 1.702 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000923413770 714348154 /nfs/dbraw/zinc/34/81/54/714348154.db2.gz GZUSNTRYHHAZFG-NUEKZKHPSA-N 2 1 305.378 1.702 20 5 DDBDMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992057 762165798 /nfs/dbraw/zinc/16/57/98/762165798.db2.gz JFHAJNCAOBBSHF-DZGCQCFKSA-N 2 1 304.394 1.777 20 5 DDBDMP C[NH+]1CCC(C[NH+]2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169042513 762195510 /nfs/dbraw/zinc/19/55/10/762195510.db2.gz FGFUGEJLZPORTE-SJORKVTESA-N 2 1 324.469 1.391 20 5 DDBDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130419206 767523720 /nfs/dbraw/zinc/52/37/20/767523720.db2.gz PCOHSRUVLSOOEG-UHFFFAOYSA-N 2 1 322.409 1.531 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC001173235760 777065264 /nfs/dbraw/zinc/06/52/64/777065264.db2.gz UVBFHNMNBGMZPB-ZDUSSCGKSA-N 2 1 307.394 1.572 20 5 DDBDMP CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC001156176097 862777067 /nfs/dbraw/zinc/77/70/67/862777067.db2.gz SCAIFBFMYYKUST-RMKNXTFCSA-N 2 1 305.382 1.710 20 5 DDBDMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336728334 869112103 /nfs/dbraw/zinc/11/21/03/869112103.db2.gz PURZKKARGYNLEZ-CYBMUJFWSA-N 2 1 320.393 1.997 20 5 DDBDMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336728334 869112109 /nfs/dbraw/zinc/11/21/09/869112109.db2.gz PURZKKARGYNLEZ-CYBMUJFWSA-N 2 1 320.393 1.997 20 5 DDBDMP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000592428484 355580281 /nfs/dbraw/zinc/58/02/81/355580281.db2.gz RDABHRLWNOESMT-XQRVVYSFSA-N 2 1 304.394 1.445 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000595900936 356697872 /nfs/dbraw/zinc/69/78/72/356697872.db2.gz PKQPZCIFISJURR-CQSZACIVSA-N 2 1 307.398 1.503 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000602787494 359191168 /nfs/dbraw/zinc/19/11/68/359191168.db2.gz ZBVQLZFQFFMRSK-AWEZNQCLSA-N 2 1 309.414 1.906 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000602787494 359191172 /nfs/dbraw/zinc/19/11/72/359191172.db2.gz ZBVQLZFQFFMRSK-AWEZNQCLSA-N 2 1 309.414 1.906 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000602787494 359191177 /nfs/dbraw/zinc/19/11/77/359191177.db2.gz ZBVQLZFQFFMRSK-AWEZNQCLSA-N 2 1 309.414 1.906 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000602787494 359191182 /nfs/dbraw/zinc/19/11/82/359191182.db2.gz ZBVQLZFQFFMRSK-AWEZNQCLSA-N 2 1 309.414 1.906 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000602787499 359191523 /nfs/dbraw/zinc/19/15/23/359191523.db2.gz ZBVQLZFQFFMRSK-CQSZACIVSA-N 2 1 309.414 1.906 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000602787499 359191529 /nfs/dbraw/zinc/19/15/29/359191529.db2.gz ZBVQLZFQFFMRSK-CQSZACIVSA-N 2 1 309.414 1.906 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000602787499 359191534 /nfs/dbraw/zinc/19/15/34/359191534.db2.gz ZBVQLZFQFFMRSK-CQSZACIVSA-N 2 1 309.414 1.906 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000602787499 359191539 /nfs/dbraw/zinc/19/15/39/359191539.db2.gz ZBVQLZFQFFMRSK-CQSZACIVSA-N 2 1 309.414 1.906 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602847112 359233290 /nfs/dbraw/zinc/23/32/90/359233290.db2.gz SQODGAVIXRWVCF-UHFFFAOYSA-N 2 1 316.365 1.399 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)nc1 ZINC000359217374 207384741 /nfs/dbraw/zinc/38/47/41/207384741.db2.gz KPYHESPRFXZWDQ-CQSZACIVSA-N 2 1 319.409 1.866 20 5 DDBDMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414976593 419902412 /nfs/dbraw/zinc/90/24/12/419902412.db2.gz IHWSBXLZWGOZNW-CYBMUJFWSA-N 2 1 303.366 1.822 20 5 DDBDMP C[NH2+]C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000430968826 420228868 /nfs/dbraw/zinc/22/88/68/420228868.db2.gz XNXRCGUVLZWKDY-UHFFFAOYSA-N 2 1 320.393 1.916 20 5 DDBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261666402 698431817 /nfs/dbraw/zinc/43/18/17/698431817.db2.gz GTQZNBIVRNDAOE-LLVKDONJSA-N 2 1 324.356 1.021 20 5 DDBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261666402 698431822 /nfs/dbraw/zinc/43/18/22/698431822.db2.gz GTQZNBIVRNDAOE-LLVKDONJSA-N 2 1 324.356 1.021 20 5 DDBDMP [NH3+]C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000841027962 702315901 /nfs/dbraw/zinc/31/59/01/702315901.db2.gz HVIRJFHOPAWWKQ-INIZCTEOSA-N 2 1 304.394 1.891 20 5 DDBDMP CCO[C@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C[NH+](C)C ZINC000896108557 711677255 /nfs/dbraw/zinc/67/72/55/711677255.db2.gz HGGZXSWOOYCAKC-CYBMUJFWSA-N 2 1 318.377 1.944 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000923481398 714369650 /nfs/dbraw/zinc/36/96/50/714369650.db2.gz IYGHHHZYQJMOFB-GFCCVEGCSA-N 2 1 309.366 1.653 20 5 DDBDMP C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC000923497704 714378809 /nfs/dbraw/zinc/37/88/09/714378809.db2.gz CMVOTGKBZAZCKN-OLZOCXBDSA-N 2 1 320.393 1.474 20 5 DDBDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025102 762202184 /nfs/dbraw/zinc/20/21/84/762202184.db2.gz SJDNYDMBMBWQBU-YHUYYLMFSA-N 2 1 310.442 1.142 20 5 DDBDMP C[N@H+]1CC[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000823806414 758357350 /nfs/dbraw/zinc/35/73/50/758357350.db2.gz YPMYHQJUKPTZBD-KGLIPLIRSA-N 2 1 305.378 1.857 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000823806414 758357364 /nfs/dbraw/zinc/35/73/64/758357364.db2.gz YPMYHQJUKPTZBD-KGLIPLIRSA-N 2 1 305.378 1.857 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000823806414 758357375 /nfs/dbraw/zinc/35/73/75/758357375.db2.gz YPMYHQJUKPTZBD-KGLIPLIRSA-N 2 1 305.378 1.857 20 5 DDBDMP Cc1cc(C[NH3+])nn1-c1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001163986050 868848080 /nfs/dbraw/zinc/84/80/80/868848080.db2.gz PYNFOMFYBONTMU-UHFFFAOYSA-N 2 1 301.350 1.536 20 5 DDBDMP Cc1cc(C[NH3+])nn1-c1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001163986050 868848092 /nfs/dbraw/zinc/84/80/92/868848092.db2.gz PYNFOMFYBONTMU-UHFFFAOYSA-N 2 1 301.350 1.536 20 5 DDBDMP O=C(CC[N@H+]1CCc2nc[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000590598866 355126226 /nfs/dbraw/zinc/12/62/26/355126226.db2.gz CKGXVCWYRJPWAH-UHFFFAOYSA-N 2 1 315.333 1.705 20 5 DDBDMP O=C(CCN1CCc2nc[nH]c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000590598866 355126230 /nfs/dbraw/zinc/12/62/30/355126230.db2.gz CKGXVCWYRJPWAH-UHFFFAOYSA-N 2 1 315.333 1.705 20 5 DDBDMP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000591278621 355276860 /nfs/dbraw/zinc/27/68/60/355276860.db2.gz ZEVPLCUQOZOTNW-GFCCVEGCSA-N 2 1 309.366 1.844 20 5 DDBDMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600729810 358299326 /nfs/dbraw/zinc/29/93/26/358299326.db2.gz IEOZBPSGXVGQHJ-LBPRGKRZSA-N 2 1 324.381 1.090 20 5 DDBDMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600729810 358299327 /nfs/dbraw/zinc/29/93/27/358299327.db2.gz IEOZBPSGXVGQHJ-LBPRGKRZSA-N 2 1 324.381 1.090 20 5 DDBDMP Cn1c[nH+]cc1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962519 359325521 /nfs/dbraw/zinc/32/55/21/359325521.db2.gz LPFOBNCXCUNODW-HNNXBMFYSA-N 2 1 304.350 1.368 20 5 DDBDMP COc1ccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351501990 284349123 /nfs/dbraw/zinc/34/91/23/284349123.db2.gz YQKLZXUMUABKEY-UBHSHLNASA-N 2 1 321.377 1.651 20 5 DDBDMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261690494 407580495 /nfs/dbraw/zinc/58/04/95/407580495.db2.gz KSHOIKIJSDMPCN-HNNXBMFYSA-N 2 1 306.366 1.594 20 5 DDBDMP NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000261841849 407637452 /nfs/dbraw/zinc/63/74/52/407637452.db2.gz CRKLHYXGYFRAKE-CYBMUJFWSA-N 2 1 306.366 1.397 20 5 DDBDMP NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000261841849 407637454 /nfs/dbraw/zinc/63/74/54/407637454.db2.gz CRKLHYXGYFRAKE-CYBMUJFWSA-N 2 1 306.366 1.397 20 5 DDBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351847718 410286173 /nfs/dbraw/zinc/28/61/73/410286173.db2.gz BCAGRGVBRNLTPK-NEPJUHHUSA-N 2 1 306.366 1.593 20 5 DDBDMP [NH3+]CC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000430632029 420165581 /nfs/dbraw/zinc/16/55/81/420165581.db2.gz WRBZCQLCWWVRBL-UHFFFAOYSA-N 2 1 318.377 1.155 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000377963507 302257808 /nfs/dbraw/zinc/25/78/08/302257808.db2.gz UYDKLOYVNBJCGI-MGPQQGTHSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000377963507 302257809 /nfs/dbraw/zinc/25/78/09/302257809.db2.gz UYDKLOYVNBJCGI-MGPQQGTHSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000377963507 302257811 /nfs/dbraw/zinc/25/78/11/302257811.db2.gz UYDKLOYVNBJCGI-MGPQQGTHSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000377963507 302257813 /nfs/dbraw/zinc/25/78/13/302257813.db2.gz UYDKLOYVNBJCGI-MGPQQGTHSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000262409440 698468653 /nfs/dbraw/zinc/46/86/53/698468653.db2.gz DAAYNPBOQJKJSD-AWEZNQCLSA-N 2 1 324.812 1.728 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000262409440 698468656 /nfs/dbraw/zinc/46/86/56/698468656.db2.gz DAAYNPBOQJKJSD-AWEZNQCLSA-N 2 1 324.812 1.728 20 5 DDBDMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641478 712104148 /nfs/dbraw/zinc/10/41/48/712104148.db2.gz CABSFQQWJAYODW-GXTWGEPZSA-N 2 1 307.394 1.743 20 5 DDBDMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641478 712104152 /nfs/dbraw/zinc/10/41/52/712104152.db2.gz CABSFQQWJAYODW-GXTWGEPZSA-N 2 1 307.394 1.743 20 5 DDBDMP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282762 714296801 /nfs/dbraw/zinc/29/68/01/714296801.db2.gz QDOUDZIFZOLSPF-KGLIPLIRSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282762 714296802 /nfs/dbraw/zinc/29/68/02/714296802.db2.gz QDOUDZIFZOLSPF-KGLIPLIRSA-N 2 1 323.393 1.266 20 5 DDBDMP O=[N+]([O-])c1cc2c(cc1NCC[NH+]1CCSCC1)C[NH2+]C2 ZINC001167837570 738998557 /nfs/dbraw/zinc/99/85/57/738998557.db2.gz SAPPMTPCCCUNQU-UHFFFAOYSA-N 2 1 308.407 1.659 20 5 DDBDMP C[C@@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@@H]1C[NH2+]CCO1 ZINC001159499418 865353753 /nfs/dbraw/zinc/35/37/53/865353753.db2.gz PXUDDCGYDIRBIR-OZAOCKQISA-N 2 1 321.381 1.311 20 5 DDBDMP CCO[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737311 355982231 /nfs/dbraw/zinc/98/22/31/355982231.db2.gz VDFFFVVNUBHVHJ-IUODEOHRSA-N 2 1 309.366 1.269 20 5 DDBDMP CCO[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593737311 355982237 /nfs/dbraw/zinc/98/22/37/355982237.db2.gz VDFFFVVNUBHVHJ-IUODEOHRSA-N 2 1 309.366 1.269 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422720927 533222747 /nfs/dbraw/zinc/22/27/47/533222747.db2.gz UFTMFVYNVCUXSD-ZLKJLUDKSA-N 2 1 309.366 1.445 20 5 DDBDMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262181173 407759437 /nfs/dbraw/zinc/75/94/37/407759437.db2.gz WRBRRBSBVDKNSR-OAHLLOKOSA-N 2 1 304.394 1.383 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430921539 420206436 /nfs/dbraw/zinc/20/64/36/420206436.db2.gz YMZQDYSJTZKDBP-LBPRGKRZSA-N 2 1 306.366 1.512 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430968651 420228879 /nfs/dbraw/zinc/22/88/79/420228879.db2.gz ZBPRHLPXLTZDCY-GFCCVEGCSA-N 2 1 320.393 1.901 20 5 DDBDMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420416780 420273141 /nfs/dbraw/zinc/27/31/41/420273141.db2.gz VVOOFOBBHJZKJN-STQMWFEESA-N 2 1 320.393 1.840 20 5 DDBDMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000903442698 711128448 /nfs/dbraw/zinc/12/84/48/711128448.db2.gz YWQGZKRIDVVFHQ-KGLIPLIRSA-N 2 1 304.394 1.572 20 5 DDBDMP C[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000923379847 714334837 /nfs/dbraw/zinc/33/48/37/714334837.db2.gz ABGFVIVNJNLOMI-FIRUKDTASA-N 2 1 307.394 1.933 20 5 DDBDMP [NH3+]CC[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000923481780 714370095 /nfs/dbraw/zinc/37/00/95/714370095.db2.gz LOPMASGGSAWMTA-IUODEOHRSA-N 2 1 318.377 1.371 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000923498888 714379480 /nfs/dbraw/zinc/37/94/80/714379480.db2.gz QPEOPEIICGMLAT-STQMWFEESA-N 2 1 323.393 1.899 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001173233296 777063445 /nfs/dbraw/zinc/06/34/45/777063445.db2.gz ICXWJSMIYLQNOM-HNNXBMFYSA-N 2 1 320.437 1.753 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246554963 892693983 /nfs/dbraw/zinc/69/39/83/892693983.db2.gz AFPPLSKFIXMXIR-CJNGLKHVSA-N 2 1 307.394 1.702 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246857612 892947792 /nfs/dbraw/zinc/94/77/92/892947792.db2.gz BNASOOILKPTTIG-ILMGOGQSSA-N 2 1 305.378 1.431 20 5 DDBDMP O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000600723676 358296862 /nfs/dbraw/zinc/29/68/62/358296862.db2.gz DESRZXMMXWFVSZ-AWEZNQCLSA-N 2 1 309.366 1.020 20 5 DDBDMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600729809 358299678 /nfs/dbraw/zinc/29/96/78/358299678.db2.gz IEOZBPSGXVGQHJ-GFCCVEGCSA-N 2 1 324.381 1.090 20 5 DDBDMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600729809 358299682 /nfs/dbraw/zinc/29/96/82/358299682.db2.gz IEOZBPSGXVGQHJ-GFCCVEGCSA-N 2 1 324.381 1.090 20 5 DDBDMP C[N@H+]1CCN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000602658752 359107181 /nfs/dbraw/zinc/10/71/81/359107181.db2.gz XUHNGAYAMPDAHH-UHFFFAOYSA-N 2 1 320.437 1.753 20 5 DDBDMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430941925 420216530 /nfs/dbraw/zinc/21/65/30/420216530.db2.gz AGMRYHIIOMDZAM-LBPRGKRZSA-N 2 1 320.393 1.853 20 5 DDBDMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CN ZINC000420283565 420180757 /nfs/dbraw/zinc/18/07/57/420180757.db2.gz CDIYZEASHPRQLL-SWLSCSKDSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000420283565 420180763 /nfs/dbraw/zinc/18/07/63/420180763.db2.gz CDIYZEASHPRQLL-SWLSCSKDSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000420283565 420180768 /nfs/dbraw/zinc/18/07/68/420180768.db2.gz CDIYZEASHPRQLL-SWLSCSKDSA-N 2 1 320.393 1.983 20 5 DDBDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877520626 706131014 /nfs/dbraw/zinc/13/10/14/706131014.db2.gz CTBARXJTGHHRKQ-MOKVOYLWSA-N 2 1 307.398 1.959 20 5 DDBDMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877520626 706131016 /nfs/dbraw/zinc/13/10/16/706131016.db2.gz CTBARXJTGHHRKQ-MOKVOYLWSA-N 2 1 307.398 1.959 20 5 DDBDMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000903813192 711288709 /nfs/dbraw/zinc/28/87/09/711288709.db2.gz YOGVGNFOWXDUAV-CQSZACIVSA-N 2 1 307.398 1.775 20 5 DDBDMP C[N@@H+]1CCc2c(-n3cc(CC[NH3+])cn3)ccc([N+](=O)[O-])c2C1 ZINC001168952101 762141479 /nfs/dbraw/zinc/14/14/79/762141479.db2.gz DXHAOSYCKJOLJS-UHFFFAOYSA-N 2 1 301.350 1.270 20 5 DDBDMP C[N@H+]1CCc2c(-n3cc(CC[NH3+])cn3)ccc([N+](=O)[O-])c2C1 ZINC001168952101 762141483 /nfs/dbraw/zinc/14/14/83/762141483.db2.gz DXHAOSYCKJOLJS-UHFFFAOYSA-N 2 1 301.350 1.270 20 5 DDBDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131376955 768102335 /nfs/dbraw/zinc/10/23/35/768102335.db2.gz DYPMQHUQSMRIOU-UHFFFAOYSA-N 2 1 317.349 1.006 20 5 DDBDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131380696 768105249 /nfs/dbraw/zinc/10/52/49/768105249.db2.gz WWTLKHDKYCEVML-UHFFFAOYSA-N 2 1 317.349 1.006 20 5 DDBDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603806 896528324 /nfs/dbraw/zinc/52/83/24/896528324.db2.gz QWQCKQJQQNHMRK-QGZVFWFLSA-N 2 1 318.421 1.241 20 5 DDBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414798986 533449012 /nfs/dbraw/zinc/44/90/12/533449012.db2.gz CXHDBHARIOVZSI-IINYFYTJSA-N 2 1 306.366 1.639 20 5 DDBDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247532683 408489477 /nfs/dbraw/zinc/48/94/77/408489477.db2.gz XQLUZGQFTJQJEH-UKRRQHHQSA-N 2 1 323.393 1.218 20 5 DDBDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247532683 408489484 /nfs/dbraw/zinc/48/94/84/408489484.db2.gz XQLUZGQFTJQJEH-UKRRQHHQSA-N 2 1 323.393 1.218 20 5 DDBDMP O=[N+]([O-])c1ccccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415055871 419926816 /nfs/dbraw/zinc/92/68/16/419926816.db2.gz PDFDPDYWTDJXOA-UHFFFAOYSA-N 2 1 318.421 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919279 420204323 /nfs/dbraw/zinc/20/43/23/420204323.db2.gz PVUPFVBIAPJKON-TZMCWYRMSA-N 2 1 320.393 1.901 20 5 DDBDMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000519643618 421712870 /nfs/dbraw/zinc/71/28/70/421712870.db2.gz WSUGYLISVYPOJL-STQMWFEESA-N 2 1 320.393 1.996 20 5 DDBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000344869431 272132477 /nfs/dbraw/zinc/13/24/77/272132477.db2.gz RSIKXSZJQXYRFY-WDBUWWRISA-N 2 1 305.378 1.654 20 5 DDBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000344869431 272132479 /nfs/dbraw/zinc/13/24/79/272132479.db2.gz RSIKXSZJQXYRFY-WDBUWWRISA-N 2 1 305.378 1.654 20 5 DDBDMP C[N@H+]1CCCC12CCN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000363653057 300292801 /nfs/dbraw/zinc/29/28/01/300292801.db2.gz SNPKXCHMUPXYSE-UHFFFAOYSA-N 2 1 320.393 1.317 20 5 DDBDMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641482 712104229 /nfs/dbraw/zinc/10/42/29/712104229.db2.gz CABSFQQWJAYODW-TZMCWYRMSA-N 2 1 307.394 1.743 20 5 DDBDMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641482 712104232 /nfs/dbraw/zinc/10/42/32/712104232.db2.gz CABSFQQWJAYODW-TZMCWYRMSA-N 2 1 307.394 1.743 20 5 DDBDMP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC001246525439 892678478 /nfs/dbraw/zinc/67/84/78/892678478.db2.gz PTSVTJFMRKGNQR-UHFFFAOYSA-N 2 1 304.394 1.859 20 5 DDBDMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564307 892700678 /nfs/dbraw/zinc/70/06/78/892700678.db2.gz XHKYEOACEBKMRH-JKSUJKDBSA-N 2 1 305.378 1.238 20 5 DDBDMP O=[N+]([O-])c1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cs1 ZINC000591284965 355278903 /nfs/dbraw/zinc/27/89/03/355278903.db2.gz FYADLGDPINMJKM-OLZOCXBDSA-N 2 1 323.418 1.857 20 5 DDBDMP O=[N+]([O-])c1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cs1 ZINC000591284965 355278906 /nfs/dbraw/zinc/27/89/06/355278906.db2.gz FYADLGDPINMJKM-OLZOCXBDSA-N 2 1 323.418 1.857 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593731299 355978568 /nfs/dbraw/zinc/97/85/68/355978568.db2.gz WAPBNWLFXWTZQP-MGPQQGTHSA-N 2 1 323.397 1.152 20 5 DDBDMP COc1cc(C[N@H+](C)CCOCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000600775393 358312326 /nfs/dbraw/zinc/31/23/26/358312326.db2.gz NOMWHQWIXKNGBU-UHFFFAOYSA-N 2 1 313.354 1.019 20 5 DDBDMP COc1cc(C[N@@H+](C)CCOCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000600775393 358312329 /nfs/dbraw/zinc/31/23/29/358312329.db2.gz NOMWHQWIXKNGBU-UHFFFAOYSA-N 2 1 313.354 1.019 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430022 359635197 /nfs/dbraw/zinc/63/51/97/359635197.db2.gz QIVYWIIUNRJICL-OLZOCXBDSA-N 2 1 307.398 1.540 20 5 DDBDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125224100 407381884 /nfs/dbraw/zinc/38/18/84/407381884.db2.gz IUDPJRCCILMRBC-KBPBESRZSA-N 2 1 319.409 1.960 20 5 DDBDMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125224100 407381886 /nfs/dbraw/zinc/38/18/86/407381886.db2.gz IUDPJRCCILMRBC-KBPBESRZSA-N 2 1 319.409 1.960 20 5 DDBDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125224100 407381887 /nfs/dbraw/zinc/38/18/87/407381887.db2.gz IUDPJRCCILMRBC-KBPBESRZSA-N 2 1 319.409 1.960 20 5 DDBDMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000125224100 407381888 /nfs/dbraw/zinc/38/18/88/407381888.db2.gz IUDPJRCCILMRBC-KBPBESRZSA-N 2 1 319.409 1.960 20 5 DDBDMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154254448 408002100 /nfs/dbraw/zinc/00/21/00/408002100.db2.gz GSVGOAPKFCQTPI-GJZGRUSLSA-N 2 1 307.394 1.428 20 5 DDBDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000282052041 408981394 /nfs/dbraw/zinc/98/13/94/408981394.db2.gz BBFGKKZIQIQXDB-UHFFFAOYSA-N 2 1 306.410 1.710 20 5 DDBDMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430921133 420206749 /nfs/dbraw/zinc/20/67/49/420206749.db2.gz XDKWZGBCBCWHOF-RYUDHWBXSA-N 2 1 320.393 1.981 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC[NH2+]CC1 ZINC000843347444 702863802 /nfs/dbraw/zinc/86/38/02/702863802.db2.gz WCZWCNKCLYYUIB-UHFFFAOYSA-N 2 1 324.356 1.746 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000818945631 704031298 /nfs/dbraw/zinc/03/12/98/704031298.db2.gz MRTZXUVISOYHOA-INIZCTEOSA-N 2 1 305.378 1.845 20 5 DDBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000859212259 704823655 /nfs/dbraw/zinc/82/36/55/704823655.db2.gz MAQGGGJQZMBOMP-UHFFFAOYSA-N 2 1 317.393 1.985 20 5 DDBDMP COc1c(O)ccc(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001207724258 873506350 /nfs/dbraw/zinc/50/63/50/873506350.db2.gz VUQJJKQSPJXKFQ-CYBMUJFWSA-N 2 1 321.377 1.740 20 5 DDBDMP [NH3+]C[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556729 892693906 /nfs/dbraw/zinc/69/39/06/892693906.db2.gz FXGISZZZJXYNPZ-GXTWGEPZSA-N 2 1 311.332 1.978 20 5 DDBDMP [NH3+]C[C@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556729 892693908 /nfs/dbraw/zinc/69/39/08/892693908.db2.gz FXGISZZZJXYNPZ-GXTWGEPZSA-N 2 1 311.332 1.978 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001254539036 896494419 /nfs/dbraw/zinc/49/44/19/896494419.db2.gz DLAHUUSOBONXOK-WCQYABFASA-N 2 1 304.350 1.457 20 5 DDBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414682577 530004689 /nfs/dbraw/zinc/00/46/89/530004689.db2.gz YNOGZWIPWYDWBW-CYBMUJFWSA-N 2 1 320.393 1.224 20 5 DDBDMP CC[N@@H+](C)C[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605202 355129252 /nfs/dbraw/zinc/12/92/52/355129252.db2.gz DKTFLEZOGMYOKZ-INIZCTEOSA-N 2 1 307.394 1.872 20 5 DDBDMP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594496081 356237776 /nfs/dbraw/zinc/23/77/76/356237776.db2.gz ZKVNFFACRKIWAR-KRWDZBQOSA-N 2 1 319.405 1.980 20 5 DDBDMP COc1cccc([N+](=O)[O-])c1NCC[N@H+](C)CCC[NH+](C)C ZINC000596424665 356875536 /nfs/dbraw/zinc/87/55/36/356875536.db2.gz JUNNKPKGVXONTR-UHFFFAOYSA-N 2 1 310.398 1.899 20 5 DDBDMP COc1cccc([N+](=O)[O-])c1NCC[N@@H+](C)CCC[NH+](C)C ZINC000596424665 356875538 /nfs/dbraw/zinc/87/55/38/356875538.db2.gz JUNNKPKGVXONTR-UHFFFAOYSA-N 2 1 310.398 1.899 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000602782907 359187931 /nfs/dbraw/zinc/18/79/31/359187931.db2.gz YFAAWIPWPMGSBV-CQSZACIVSA-N 2 1 307.398 1.517 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000602782907 359187934 /nfs/dbraw/zinc/18/79/34/359187934.db2.gz YFAAWIPWPMGSBV-CQSZACIVSA-N 2 1 307.398 1.517 20 5 DDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796231 359197563 /nfs/dbraw/zinc/19/75/63/359197563.db2.gz WOHWKNOSUCWOKD-OCCSQVGLSA-N 2 1 309.414 1.762 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000602830352 359222710 /nfs/dbraw/zinc/22/27/10/359222710.db2.gz DEIURDBUBAQLQJ-HNNXBMFYSA-N 2 1 307.398 1.517 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000602830352 359222712 /nfs/dbraw/zinc/22/27/12/359222712.db2.gz DEIURDBUBAQLQJ-HNNXBMFYSA-N 2 1 307.398 1.517 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000602830352 359222715 /nfs/dbraw/zinc/22/27/15/359222715.db2.gz DEIURDBUBAQLQJ-HNNXBMFYSA-N 2 1 307.398 1.517 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000602830352 359222716 /nfs/dbraw/zinc/22/27/16/359222716.db2.gz DEIURDBUBAQLQJ-HNNXBMFYSA-N 2 1 307.398 1.517 20 5 DDBDMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261781895 407614505 /nfs/dbraw/zinc/61/45/05/407614505.db2.gz RWPGISHGNIJJRC-UHFFFAOYSA-N 2 1 320.393 1.855 20 5 DDBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351861984 410300119 /nfs/dbraw/zinc/30/01/19/410300119.db2.gz MUSIOBQQRLQKGG-NWDGAFQWSA-N 2 1 306.366 1.593 20 5 DDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414981205 419903728 /nfs/dbraw/zinc/90/37/28/419903728.db2.gz XKFSDMNBLANJGQ-ZFWWWQNUSA-N 2 1 306.410 1.409 20 5 DDBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000436068835 420306348 /nfs/dbraw/zinc/30/63/48/420306348.db2.gz XDBQYXRFMHKDRI-AWEZNQCLSA-N 2 1 320.393 1.414 20 5 DDBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000436068835 420306352 /nfs/dbraw/zinc/30/63/52/420306352.db2.gz XDBQYXRFMHKDRI-AWEZNQCLSA-N 2 1 320.393 1.414 20 5 DDBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000843062798 702811292 /nfs/dbraw/zinc/81/12/92/702811292.db2.gz SHTBRKSEGNNHND-INIZCTEOSA-N 2 1 323.393 1.065 20 5 DDBDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818974931 704039690 /nfs/dbraw/zinc/03/96/90/704039690.db2.gz ICUFDBVSYKDCOW-MRXNPFEDSA-N 2 1 323.393 1.329 20 5 DDBDMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877654212 706171196 /nfs/dbraw/zinc/17/11/96/706171196.db2.gz WTOSNECHGRFQPG-HSBZDZAISA-N 2 1 307.398 1.816 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC001345136679 873268750 /nfs/dbraw/zinc/26/87/50/873268750.db2.gz HWIVGDABUYJPMK-IAGOWNOFSA-N 2 1 317.389 1.722 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC001345136679 873268758 /nfs/dbraw/zinc/26/87/58/873268758.db2.gz HWIVGDABUYJPMK-IAGOWNOFSA-N 2 1 317.389 1.722 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001254548204 896499437 /nfs/dbraw/zinc/49/94/37/896499437.db2.gz LFQGIEMRFGUBKI-GUYCJALGSA-N 2 1 318.421 1.539 20 5 DDBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414682578 530004519 /nfs/dbraw/zinc/00/45/19/530004519.db2.gz YNOGZWIPWYDWBW-ZDUSSCGKSA-N 2 1 320.393 1.224 20 5 DDBDMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600729089 358298625 /nfs/dbraw/zinc/29/86/25/358298625.db2.gz DDQACZJCRZLHRA-LBPRGKRZSA-N 2 1 324.381 1.090 20 5 DDBDMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600729089 358298627 /nfs/dbraw/zinc/29/86/27/358298627.db2.gz DDQACZJCRZLHRA-LBPRGKRZSA-N 2 1 324.381 1.090 20 5 DDBDMP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261818991 407624469 /nfs/dbraw/zinc/62/44/69/407624469.db2.gz HFCPXORFWQMPAC-IACUBPJLSA-N 2 1 318.377 1.253 20 5 DDBDMP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000261818991 407624476 /nfs/dbraw/zinc/62/44/76/407624476.db2.gz HFCPXORFWQMPAC-IACUBPJLSA-N 2 1 318.377 1.253 20 5 DDBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000261978954 407698775 /nfs/dbraw/zinc/69/87/75/407698775.db2.gz IYUWYVKWUHRLHC-OAHLLOKOSA-N 2 1 320.393 1.414 20 5 DDBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000261978954 407698785 /nfs/dbraw/zinc/69/87/85/407698785.db2.gz IYUWYVKWUHRLHC-OAHLLOKOSA-N 2 1 320.393 1.414 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000134893601 162089804 /nfs/dbraw/zinc/08/98/04/162089804.db2.gz IPUKQCNMPHFQGS-UKRRQHHQSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000134893601 162089807 /nfs/dbraw/zinc/08/98/07/162089807.db2.gz IPUKQCNMPHFQGS-UKRRQHHQSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000134893601 162089808 /nfs/dbraw/zinc/08/98/08/162089808.db2.gz IPUKQCNMPHFQGS-UKRRQHHQSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000134893601 162089812 /nfs/dbraw/zinc/08/98/12/162089812.db2.gz IPUKQCNMPHFQGS-UKRRQHHQSA-N 2 1 319.409 1.740 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036910 419796781 /nfs/dbraw/zinc/79/67/81/419796781.db2.gz RXFMPHXYENDRFA-WFASDCNBSA-N 2 1 318.377 1.607 20 5 DDBDMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036910 419796784 /nfs/dbraw/zinc/79/67/84/419796784.db2.gz RXFMPHXYENDRFA-WFASDCNBSA-N 2 1 318.377 1.607 20 5 DDBDMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430951785 420221468 /nfs/dbraw/zinc/22/14/68/420221468.db2.gz NGFPGQAXQGQJHW-GFCCVEGCSA-N 2 1 320.393 1.853 20 5 DDBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443078019 420743408 /nfs/dbraw/zinc/74/34/08/420743408.db2.gz VVVDAVACYRRMRL-CHWSQXEVSA-N 2 1 320.393 1.983 20 5 DDBDMP COc1ccc(OCC[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442762641 420710090 /nfs/dbraw/zinc/71/00/90/420710090.db2.gz CHMFMQNCAHBPMN-VXGBXAGGSA-N 2 1 309.366 1.651 20 5 DDBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577687 271126672 /nfs/dbraw/zinc/12/66/72/271126672.db2.gz RYVFUWJXDHBKGM-KGLIPLIRSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577687 271126675 /nfs/dbraw/zinc/12/66/75/271126675.db2.gz RYVFUWJXDHBKGM-KGLIPLIRSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577687 271126679 /nfs/dbraw/zinc/12/66/79/271126679.db2.gz RYVFUWJXDHBKGM-KGLIPLIRSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577687 271126682 /nfs/dbraw/zinc/12/66/82/271126682.db2.gz RYVFUWJXDHBKGM-KGLIPLIRSA-N 2 1 322.409 1.561 20 5 DDBDMP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329699 714316749 /nfs/dbraw/zinc/31/67/49/714316749.db2.gz XOJDFIGHORHMEZ-AMFJVREVSA-N 2 1 305.378 1.843 20 5 DDBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329699 714316751 /nfs/dbraw/zinc/31/67/51/714316751.db2.gz XOJDFIGHORHMEZ-AMFJVREVSA-N 2 1 305.378 1.843 20 5 DDBDMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000923486959 714373267 /nfs/dbraw/zinc/37/32/67/714373267.db2.gz VXZNRJZMCIIWOF-LBPRGKRZSA-N 2 1 318.377 1.155 20 5 DDBDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146719241 772925821 /nfs/dbraw/zinc/92/58/21/772925821.db2.gz MLCCTAIFTWAJKN-UHFFFAOYSA-N 2 1 308.382 1.142 20 5 DDBDMP C[C@H]([NH3+])c1ccn(-c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)n1 ZINC001158351063 864596894 /nfs/dbraw/zinc/59/68/94/864596894.db2.gz SNPZHBNDICTOCG-RWCYGVJQSA-N 2 1 302.338 1.728 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@H]3[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001165298656 869505554 /nfs/dbraw/zinc/50/55/54/869505554.db2.gz VMQOROQTPYVVOY-KVOPJGFESA-N 2 1 303.366 1.463 20 5 DDBDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570545 879105301 /nfs/dbraw/zinc/10/53/01/879105301.db2.gz MQJJLYASOSONOP-KBPBESRZSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430918887 530005312 /nfs/dbraw/zinc/00/53/12/530005312.db2.gz OKJFGRKBIFXUHA-GFCCVEGCSA-N 2 1 309.366 1.524 20 5 DDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430918887 530005313 /nfs/dbraw/zinc/00/53/13/530005313.db2.gz OKJFGRKBIFXUHA-GFCCVEGCSA-N 2 1 309.366 1.524 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000595900935 356698155 /nfs/dbraw/zinc/69/81/55/356698155.db2.gz PKQPZCIFISJURR-AWEZNQCLSA-N 2 1 307.398 1.503 20 5 DDBDMP Cc1ccnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596362397 356864466 /nfs/dbraw/zinc/86/44/66/356864466.db2.gz ZWXIMVVZCQNTCI-ZDUSSCGKSA-N 2 1 309.414 1.982 20 5 DDBDMP Cc1ccnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596362397 356864470 /nfs/dbraw/zinc/86/44/70/356864470.db2.gz ZWXIMVVZCQNTCI-ZDUSSCGKSA-N 2 1 309.414 1.982 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430023 359635258 /nfs/dbraw/zinc/63/52/58/359635258.db2.gz QIVYWIIUNRJICL-QWHCGFSZSA-N 2 1 307.398 1.540 20 5 DDBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261846263 407638135 /nfs/dbraw/zinc/63/81/35/407638135.db2.gz ZFQDQPMLGOXDSQ-QWHCGFSZSA-N 2 1 320.393 1.443 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000176267100 408326100 /nfs/dbraw/zinc/32/61/00/408326100.db2.gz PEQSENMIMZMMRF-AWEZNQCLSA-N 2 1 307.398 1.599 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000176267100 408326105 /nfs/dbraw/zinc/32/61/05/408326105.db2.gz PEQSENMIMZMMRF-AWEZNQCLSA-N 2 1 307.398 1.599 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035319 419795166 /nfs/dbraw/zinc/79/51/66/419795166.db2.gz PMQMAVSBABTACJ-OLZOCXBDSA-N 2 1 318.377 1.607 20 5 DDBDMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035319 419795173 /nfs/dbraw/zinc/79/51/73/419795173.db2.gz PMQMAVSBABTACJ-OLZOCXBDSA-N 2 1 318.377 1.607 20 5 DDBDMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420320491 420204439 /nfs/dbraw/zinc/20/44/39/420204439.db2.gz QJOCRPSINRXTSA-OAHLLOKOSA-N 2 1 308.382 1.886 20 5 DDBDMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420360306 420235078 /nfs/dbraw/zinc/23/50/78/420235078.db2.gz LACLCCRHBGYHNP-ZDUSSCGKSA-N 2 1 308.382 1.886 20 5 DDBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000565096712 308019880 /nfs/dbraw/zinc/01/98/80/308019880.db2.gz XMVRGPLXWOTPDG-GFCCVEGCSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000819221255 704089159 /nfs/dbraw/zinc/08/91/59/704089159.db2.gz WIAPYHXUMKBUGZ-BLLLJJGKSA-N 2 1 305.378 1.868 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439678 714098657 /nfs/dbraw/zinc/09/86/57/714098657.db2.gz XPUIOOKKZVZILM-GXTWGEPZSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439678 714098659 /nfs/dbraw/zinc/09/86/59/714098659.db2.gz XPUIOOKKZVZILM-GXTWGEPZSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439678 714098660 /nfs/dbraw/zinc/09/86/60/714098660.db2.gz XPUIOOKKZVZILM-GXTWGEPZSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931439678 714098662 /nfs/dbraw/zinc/09/86/62/714098662.db2.gz XPUIOOKKZVZILM-GXTWGEPZSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931439678 714098664 /nfs/dbraw/zinc/09/86/64/714098664.db2.gz XPUIOOKKZVZILM-GXTWGEPZSA-N 2 1 305.378 1.987 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370496 714331187 /nfs/dbraw/zinc/33/11/87/714331187.db2.gz PHLSTBNHCOKJCQ-NCZKRNLISA-N 2 1 323.393 1.311 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000923498885 714379226 /nfs/dbraw/zinc/37/92/26/714379226.db2.gz QPEOPEIICGMLAT-OLZOCXBDSA-N 2 1 323.393 1.899 20 5 DDBDMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169023711 762200683 /nfs/dbraw/zinc/20/06/83/762200683.db2.gz PUTAORSXNHZTNF-QWHCGFSZSA-N 2 1 310.398 1.562 20 5 DDBDMP Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155364120 861997458 /nfs/dbraw/zinc/99/74/58/861997458.db2.gz UWSWTLAEOXQKIO-ZDUSSCGKSA-N 2 1 305.382 1.158 20 5 DDBDMP C[C@H](OCC[N+](C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224772687 881528496 /nfs/dbraw/zinc/52/84/96/881528496.db2.gz BPFBQZSDQDQDDC-WMZOPIPTSA-N 2 1 307.458 1.999 20 5 DDBDMP C[C@H](OCC[N+](C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224772687 881528508 /nfs/dbraw/zinc/52/85/08/881528508.db2.gz BPFBQZSDQDQDDC-WMZOPIPTSA-N 2 1 307.458 1.999 20 5 DDBDMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556732 892694227 /nfs/dbraw/zinc/69/42/27/892694227.db2.gz FXGISZZZJXYNPZ-OCCSQVGLSA-N 2 1 311.332 1.978 20 5 DDBDMP [NH3+]C[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556732 892694231 /nfs/dbraw/zinc/69/42/31/892694231.db2.gz FXGISZZZJXYNPZ-OCCSQVGLSA-N 2 1 311.332 1.978 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246620928 892743558 /nfs/dbraw/zinc/74/35/58/892743558.db2.gz BVICFCPIHXZQLG-CJNGLKHVSA-N 2 1 304.394 1.163 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246631627 892752055 /nfs/dbraw/zinc/75/20/55/892752055.db2.gz RTGQVJFLFUBEHC-CZUORRHYSA-N 2 1 304.394 1.163 20 5 DDBDMP CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)CCC[NH+](C)C ZINC000596423734 356874584 /nfs/dbraw/zinc/87/45/84/356874584.db2.gz AXUFPIQMFQUWFM-UHFFFAOYSA-N 2 1 312.418 1.415 20 5 DDBDMP CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+](C)CCC[NH+](C)C ZINC000596423734 356874585 /nfs/dbraw/zinc/87/45/85/356874585.db2.gz AXUFPIQMFQUWFM-UHFFFAOYSA-N 2 1 312.418 1.415 20 5 DDBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261624413 407558457 /nfs/dbraw/zinc/55/84/57/407558457.db2.gz CMOPVSBPHCRVIW-LBPRGKRZSA-N 2 1 324.356 1.021 20 5 DDBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261624413 407558464 /nfs/dbraw/zinc/55/84/64/407558464.db2.gz CMOPVSBPHCRVIW-LBPRGKRZSA-N 2 1 324.356 1.021 20 5 DDBDMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423519519 420069997 /nfs/dbraw/zinc/06/99/97/420069997.db2.gz PEAOBJCEIYVZSO-HOTGVXAUSA-N 2 1 318.421 1.409 20 5 DDBDMP COc1ccc(OCC[NH2+][C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420356300 420234519 /nfs/dbraw/zinc/23/45/19/420234519.db2.gz GAGPKJQBAVOEBT-AWEZNQCLSA-N 2 1 311.382 1.945 20 5 DDBDMP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)C[NH3+] ZINC000571688788 421736482 /nfs/dbraw/zinc/73/64/82/421736482.db2.gz RKMOQZGSRJPALG-ZDUSSCGKSA-N 2 1 320.349 1.044 20 5 DDBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)C[NH3+] ZINC000571688788 421736483 /nfs/dbraw/zinc/73/64/83/421736483.db2.gz RKMOQZGSRJPALG-ZDUSSCGKSA-N 2 1 320.349 1.044 20 5 DDBDMP CN1CC[NH+](CCCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC1 ZINC001161708563 866919611 /nfs/dbraw/zinc/91/96/11/866919611.db2.gz NNMCHRIKCBXBNM-UHFFFAOYSA-N 2 1 319.409 1.247 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001161867824 867045775 /nfs/dbraw/zinc/04/57/75/867045775.db2.gz QEZNJFUVXOFBGG-UHFFFAOYSA-N 2 1 315.377 1.978 20 5 DDBDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189730 873640115 /nfs/dbraw/zinc/64/01/15/873640115.db2.gz AMNJTTNWCKTIHE-HIFRSBDPSA-N 2 1 323.393 1.266 20 5 DDBDMP C[C@@]1([NH3+])CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246528685 892678496 /nfs/dbraw/zinc/67/84/96/892678496.db2.gz BJEARNJHESLAMQ-MRXNPFEDSA-N 2 1 304.394 1.987 20 5 DDBDMP C[C@@]1([NH3+])CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246528685 892678498 /nfs/dbraw/zinc/67/84/98/892678498.db2.gz BJEARNJHESLAMQ-MRXNPFEDSA-N 2 1 304.394 1.987 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246617502 892740918 /nfs/dbraw/zinc/74/09/18/892740918.db2.gz GPWFRHSATAPSQD-QRTARXTBSA-N 2 1 318.421 1.552 20 5 DDBDMP COc1cc(N2CCC([NH2+]C3(C[NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001256092215 897280800 /nfs/dbraw/zinc/28/08/00/897280800.db2.gz IHUZXVCQCUPGBR-UHFFFAOYSA-N 2 1 320.393 1.653 20 5 DDBDMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351504219 284350989 /nfs/dbraw/zinc/35/09/89/284350989.db2.gz VKSHCKFVJMQEPY-KBPBESRZSA-N 2 1 307.398 1.959 20 5 DDBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414796997 224396268 /nfs/dbraw/zinc/39/62/68/224396268.db2.gz YMTPBLMFGVCPLT-CQSZACIVSA-N 2 1 305.378 1.782 20 5 DDBDMP Cn1cncc1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000290010991 409292095 /nfs/dbraw/zinc/29/20/95/409292095.db2.gz LWNDOYJSTNZYML-UHFFFAOYSA-N 2 1 315.377 1.693 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359997287 410989149 /nfs/dbraw/zinc/98/91/49/410989149.db2.gz ACKNSHREPVCQND-HNNXBMFYSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359997287 410989153 /nfs/dbraw/zinc/98/91/53/410989153.db2.gz ACKNSHREPVCQND-HNNXBMFYSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430549974 420133582 /nfs/dbraw/zinc/13/35/82/420133582.db2.gz FICNBZVOWATSDY-MRXNPFEDSA-N 2 1 320.393 1.949 20 5 DDBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000778084067 698240645 /nfs/dbraw/zinc/24/06/45/698240645.db2.gz CHAUTKPNYLUNAN-UHFFFAOYSA-N 2 1 324.400 1.851 20 5 DDBDMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818967876 704037404 /nfs/dbraw/zinc/03/74/04/704037404.db2.gz DMJOUDVCXYWNDY-OAHLLOKOSA-N 2 1 304.350 1.813 20 5 DDBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000838986837 708010594 /nfs/dbraw/zinc/01/05/94/708010594.db2.gz OKDBGXNQESYXNZ-MRXNPFEDSA-N 2 1 305.378 1.845 20 5 DDBDMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886839508 708859045 /nfs/dbraw/zinc/85/90/45/708859045.db2.gz GGXUSUGGHICDIE-GJZGRUSLSA-N 2 1 320.393 1.708 20 5 DDBDMP O=[N+]([O-])c1ncccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000886841463 708859459 /nfs/dbraw/zinc/85/94/59/708859459.db2.gz LZMBQHXOGYGZLQ-OAHLLOKOSA-N 2 1 320.393 1.580 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331245 714317576 /nfs/dbraw/zinc/31/75/76/714317576.db2.gz FFFHOWRLNVERBK-CJNGLKHVSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331245 714317579 /nfs/dbraw/zinc/31/75/79/714317579.db2.gz FFFHOWRLNVERBK-CJNGLKHVSA-N 2 1 321.377 1.020 20 5 DDBDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030384 762186770 /nfs/dbraw/zinc/18/67/70/762186770.db2.gz ZDLKVPIZLJANCO-KGLIPLIRSA-N 2 1 315.414 1.249 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC001173235757 777065086 /nfs/dbraw/zinc/06/50/86/777065086.db2.gz UVBFHNMNBGMZPB-CYBMUJFWSA-N 2 1 307.394 1.572 20 5 DDBDMP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246870276 892960836 /nfs/dbraw/zinc/96/08/36/892960836.db2.gz OGZWMFNJWQTFMJ-MLGOLLRUSA-N 2 1 302.378 1.597 20 5 DDBDMP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246870276 892960844 /nfs/dbraw/zinc/96/08/44/892960844.db2.gz OGZWMFNJWQTFMJ-MLGOLLRUSA-N 2 1 302.378 1.597 20 5 DDBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596654963 356943050 /nfs/dbraw/zinc/94/30/50/356943050.db2.gz RXFZGEASVFWBDI-OPGSHWCFSA-N 2 1 318.377 1.654 20 5 DDBDMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600731471 358299259 /nfs/dbraw/zinc/29/92/59/358299259.db2.gz SCUKVXVVSBQPRR-GFCCVEGCSA-N 2 1 324.381 1.090 20 5 DDBDMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600731471 358299261 /nfs/dbraw/zinc/29/92/61/358299261.db2.gz SCUKVXVVSBQPRR-GFCCVEGCSA-N 2 1 324.381 1.090 20 5 DDBDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000113515605 407512851 /nfs/dbraw/zinc/51/28/51/407512851.db2.gz XQLUZGQFTJQJEH-ZFWWWQNUSA-N 2 1 323.393 1.218 20 5 DDBDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000113515605 407512858 /nfs/dbraw/zinc/51/28/58/407512858.db2.gz XQLUZGQFTJQJEH-ZFWWWQNUSA-N 2 1 323.393 1.218 20 5 DDBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414849440 419839404 /nfs/dbraw/zinc/83/94/04/419839404.db2.gz RDZCEQFAKJFAQO-YPMHNXCESA-N 2 1 306.366 1.654 20 5 DDBDMP C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)C[NH3+] ZINC000415057991 419925516 /nfs/dbraw/zinc/92/55/16/419925516.db2.gz QTWXXCUYWSMXNS-ZDUSSCGKSA-N 2 1 305.334 1.606 20 5 DDBDMP C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)C[NH3+] ZINC000415057991 419925522 /nfs/dbraw/zinc/92/55/22/419925522.db2.gz QTWXXCUYWSMXNS-ZDUSSCGKSA-N 2 1 305.334 1.606 20 5 DDBDMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430921134 420206515 /nfs/dbraw/zinc/20/65/15/420206515.db2.gz XDKWZGBCBCWHOF-VXGBXAGGSA-N 2 1 320.393 1.981 20 5 DDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430940276 420214236 /nfs/dbraw/zinc/21/42/36/420214236.db2.gz OEYZVWSEALHJLF-ZDUSSCGKSA-N 2 1 320.393 1.773 20 5 DDBDMP O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000377945787 302253773 /nfs/dbraw/zinc/25/37/73/302253773.db2.gz QYPQBGIQMRBTAV-BPLDGKMQSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000377945787 302253776 /nfs/dbraw/zinc/25/37/76/302253776.db2.gz QYPQBGIQMRBTAV-BPLDGKMQSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000377945787 302253778 /nfs/dbraw/zinc/25/37/78/302253778.db2.gz QYPQBGIQMRBTAV-BPLDGKMQSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000377945787 302253782 /nfs/dbraw/zinc/25/37/82/302253782.db2.gz QYPQBGIQMRBTAV-BPLDGKMQSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000377945787 302253785 /nfs/dbraw/zinc/25/37/85/302253785.db2.gz QYPQBGIQMRBTAV-BPLDGKMQSA-N 2 1 305.382 1.207 20 5 DDBDMP COc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424336267 307301414 /nfs/dbraw/zinc/30/14/14/307301414.db2.gz PWHUZBCIRWIZPO-CHWSQXEVSA-N 2 1 309.366 1.842 20 5 DDBDMP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(C[NH3+])CCC1 ZINC000843389332 702872012 /nfs/dbraw/zinc/87/20/12/702872012.db2.gz OYRYJHKDIGIHHN-UHFFFAOYSA-N 2 1 324.356 1.876 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1(C[NH3+])CCC1 ZINC000843389332 702872015 /nfs/dbraw/zinc/87/20/15/702872015.db2.gz OYRYJHKDIGIHHN-UHFFFAOYSA-N 2 1 324.356 1.876 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000818963296 704036130 /nfs/dbraw/zinc/03/61/30/704036130.db2.gz NTSXJOWQFLYJAS-SQWLQELKSA-N 2 1 305.378 1.845 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000818963296 704036131 /nfs/dbraw/zinc/03/61/31/704036131.db2.gz NTSXJOWQFLYJAS-SQWLQELKSA-N 2 1 305.378 1.845 20 5 DDBDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])n1 ZINC000877495972 706123591 /nfs/dbraw/zinc/12/35/91/706123591.db2.gz JGQAWNFIPKBXAE-UHFFFAOYSA-N 2 1 307.398 1.636 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886841649 708859436 /nfs/dbraw/zinc/85/94/36/708859436.db2.gz RLAJDBNPGDCLFN-RBSFLKMASA-N 2 1 320.393 1.851 20 5 DDBDMP C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1C[NH3+] ZINC000904410716 711854445 /nfs/dbraw/zinc/85/44/45/711854445.db2.gz FYBCPMLRQTXRGB-NWDGAFQWSA-N 2 1 321.377 1.783 20 5 DDBDMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000931482112 714108044 /nfs/dbraw/zinc/10/80/44/714108044.db2.gz PCVQCCJOLGHDRK-UHFFFAOYSA-N 2 1 311.357 1.622 20 5 DDBDMP C[NH+]1CCC(C[NH+]2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169042510 762195618 /nfs/dbraw/zinc/19/56/18/762195618.db2.gz FGFUGEJLZPORTE-DLBZAZTESA-N 2 1 324.469 1.391 20 5 DDBDMP C[C@@H]1C[C@@H](CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C[NH2+]1 ZINC001155101879 861734506 /nfs/dbraw/zinc/73/45/06/861734506.db2.gz NCHACFNZMLEKKV-GKUNOOHESA-N 2 1 305.382 1.932 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC001327863869 862525089 /nfs/dbraw/zinc/52/50/89/862525089.db2.gz JVPRZNIRYYQNEO-QWHCGFSZSA-N 2 1 305.382 1.476 20 5 DDBDMP C[N@H+]1CCC[C@@H](CCNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001165273188 869484052 /nfs/dbraw/zinc/48/40/52/869484052.db2.gz OZRDYMCRABHEDJ-NSHDSACASA-N 2 1 320.397 1.215 20 5 DDBDMP CN(CCC[NH+](C)C)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001341359273 871620010 /nfs/dbraw/zinc/62/00/10/871620010.db2.gz LCZFQUMMRCLNQI-HNNXBMFYSA-N 2 1 308.382 1.179 20 5 DDBDMP C[N@@H+](CCC[NH3+])CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000592473618 355592843 /nfs/dbraw/zinc/59/28/43/355592843.db2.gz HJVXCGVNZXZASO-UHFFFAOYSA-N 2 1 308.338 1.173 20 5 DDBDMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261730498 407595863 /nfs/dbraw/zinc/59/58/63/407595863.db2.gz MRFCZZKUQAYTJQ-UHFFFAOYSA-N 2 1 320.393 1.855 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077259 409844289 /nfs/dbraw/zinc/84/42/89/409844289.db2.gz AKNZDINNJOZDCO-OLZOCXBDSA-N 2 1 318.377 1.465 20 5 DDBDMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077259 409844295 /nfs/dbraw/zinc/84/42/95/409844295.db2.gz AKNZDINNJOZDCO-OLZOCXBDSA-N 2 1 318.377 1.465 20 5 DDBDMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347782988 410718864 /nfs/dbraw/zinc/71/88/64/410718864.db2.gz JLFKTTJSRYPYLD-UHFFFAOYSA-N 2 1 301.350 1.943 20 5 DDBDMP Cc1[nH+]ccn1CCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347782988 410718869 /nfs/dbraw/zinc/71/88/69/410718869.db2.gz JLFKTTJSRYPYLD-UHFFFAOYSA-N 2 1 301.350 1.943 20 5 DDBDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981751 704042090 /nfs/dbraw/zinc/04/20/90/704042090.db2.gz YFTGFRGSOQYMPU-BBRMVZONSA-N 2 1 307.394 1.950 20 5 DDBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000859215217 704824608 /nfs/dbraw/zinc/82/46/08/704824608.db2.gz YVRZZZCDAGLLOH-UHFFFAOYSA-N 2 1 317.393 1.985 20 5 DDBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876916671 705922568 /nfs/dbraw/zinc/92/25/68/705922568.db2.gz XVTHBLQUPOSMHX-LMWSTFAQSA-N 2 1 318.381 1.926 20 5 DDBDMP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899910415 709234377 /nfs/dbraw/zinc/23/43/77/709234377.db2.gz KFOGHXPGNZQHLF-HNNXBMFYSA-N 2 1 305.378 1.798 20 5 DDBDMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899910415 709234380 /nfs/dbraw/zinc/23/43/80/709234380.db2.gz KFOGHXPGNZQHLF-HNNXBMFYSA-N 2 1 305.378 1.798 20 5 DDBDMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1C[NH3+] ZINC000904410718 711854395 /nfs/dbraw/zinc/85/43/95/711854395.db2.gz FYBCPMLRQTXRGB-VXGBXAGGSA-N 2 1 321.377 1.783 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331249 714317472 /nfs/dbraw/zinc/31/74/72/714317472.db2.gz FFFHOWRLNVERBK-XJKSGUPXSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331249 714317476 /nfs/dbraw/zinc/31/74/76/714317476.db2.gz FFFHOWRLNVERBK-XJKSGUPXSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000923362901 714328027 /nfs/dbraw/zinc/32/80/27/714328027.db2.gz QKWSZQBAKLRLJX-YQQAZPJKSA-N 2 1 319.405 1.950 20 5 DDBDMP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000923448887 714359627 /nfs/dbraw/zinc/35/96/27/714359627.db2.gz HTZMJRSKYLTZGC-GFCCVEGCSA-N 2 1 311.407 1.986 20 5 DDBDMP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001268874698 840929936 /nfs/dbraw/zinc/92/99/36/840929936.db2.gz VXNKTFHOCUHJMW-UHFFFAOYSA-N 2 1 320.393 1.095 20 5 DDBDMP O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001335933165 868629144 /nfs/dbraw/zinc/62/91/44/868629144.db2.gz FADLMVBZRVPROH-CYBMUJFWSA-N 2 1 308.382 1.053 20 5 DDBDMP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246627817 892750714 /nfs/dbraw/zinc/75/07/14/892750714.db2.gz ADPZEVJLHGAXPG-DLBZAZTESA-N 2 1 316.405 2.000 20 5 DDBDMP O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246627817 892750722 /nfs/dbraw/zinc/75/07/22/892750722.db2.gz ADPZEVJLHGAXPG-DLBZAZTESA-N 2 1 316.405 2.000 20 5 DDBDMP [NH3+]C[C@]1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580891 896513999 /nfs/dbraw/zinc/51/39/99/896513999.db2.gz HTTVOUBZSLYYPJ-RDJZCZTQSA-N 2 1 316.405 1.075 20 5 DDBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000174722407 198375470 /nfs/dbraw/zinc/37/54/70/198375470.db2.gz PRLUPIFBUWKXOX-UHFFFAOYSA-N 2 1 306.410 1.664 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592983072 355762965 /nfs/dbraw/zinc/76/29/65/355762965.db2.gz PHCSGVWTPOCJSQ-UONOGXRCSA-N 2 1 307.398 1.503 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593731301 355979282 /nfs/dbraw/zinc/97/92/82/355979282.db2.gz WAPBNWLFXWTZQP-RDBSUJKOSA-N 2 1 323.397 1.152 20 5 DDBDMP Cn1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c([N+](=O)[O-])n1 ZINC000603429704 359634639 /nfs/dbraw/zinc/63/46/39/359634639.db2.gz PHURJHUKGGHWEX-UONOGXRCSA-N 2 1 323.397 1.047 20 5 DDBDMP CC(C)[N@@H+](C)CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000567536345 304225504 /nfs/dbraw/zinc/22/55/04/304225504.db2.gz CTHITRVGLHZJGU-UHFFFAOYSA-N 2 1 309.414 1.844 20 5 DDBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261624412 407557630 /nfs/dbraw/zinc/55/76/30/407557630.db2.gz CMOPVSBPHCRVIW-GFCCVEGCSA-N 2 1 324.356 1.021 20 5 DDBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261624412 407557637 /nfs/dbraw/zinc/55/76/37/407557637.db2.gz CMOPVSBPHCRVIW-GFCCVEGCSA-N 2 1 324.356 1.021 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085339 409859376 /nfs/dbraw/zinc/85/93/76/409859376.db2.gz SJXPOLMLWOOTEW-STQMWFEESA-N 2 1 318.377 1.465 20 5 DDBDMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085339 409859380 /nfs/dbraw/zinc/85/93/80/409859380.db2.gz SJXPOLMLWOOTEW-STQMWFEESA-N 2 1 318.377 1.465 20 5 DDBDMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423519510 420069619 /nfs/dbraw/zinc/06/96/19/420069619.db2.gz PEAOBJCEIYVZSO-CVEARBPZSA-N 2 1 318.421 1.409 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000420308548 420196436 /nfs/dbraw/zinc/19/64/36/420196436.db2.gz CUOUJDGEUJPWEE-STQMWFEESA-N 2 1 305.382 1.476 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420306759 420196576 /nfs/dbraw/zinc/19/65/76/420196576.db2.gz BBXJLPPCFDPGHN-ZBFHGGJFSA-N 2 1 318.421 1.944 20 5 DDBDMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430624178 420162929 /nfs/dbraw/zinc/16/29/29/420162929.db2.gz ILOFWGPCZGKQMZ-LBPRGKRZSA-N 2 1 306.366 1.594 20 5 DDBDMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000420409780 420267916 /nfs/dbraw/zinc/26/79/16/420267916.db2.gz QWAJDVOFQSFSSQ-QWHCGFSZSA-N 2 1 320.393 1.840 20 5 DDBDMP O=[N+]([O-])c1cccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000514782459 421454647 /nfs/dbraw/zinc/45/46/47/421454647.db2.gz OHDDAHRYZFDUJT-CVEARBPZSA-N 2 1 317.389 1.795 20 5 DDBDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819366328 704113892 /nfs/dbraw/zinc/11/38/92/704113892.db2.gz NQSBIIRDCYGHPQ-CZUORRHYSA-N 2 1 307.394 1.950 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000876939556 705931293 /nfs/dbraw/zinc/93/12/93/705931293.db2.gz HNYFZIZGPYOROO-AHPWVWPOSA-N 2 1 305.382 1.711 20 5 DDBDMP C[C@H]([NH3+])C[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000863567468 705960132 /nfs/dbraw/zinc/96/01/32/705960132.db2.gz CVLLAPLOUQBCKO-JTQLQIEISA-N 2 1 308.338 1.172 20 5 DDBDMP C[C@H]([NH3+])C[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000863567468 705960133 /nfs/dbraw/zinc/96/01/33/705960133.db2.gz CVLLAPLOUQBCKO-JTQLQIEISA-N 2 1 308.338 1.172 20 5 DDBDMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1CC[NH3+] ZINC000903977543 711355416 /nfs/dbraw/zinc/35/54/16/711355416.db2.gz SODCMRHAHJNBHF-VXGBXAGGSA-N 2 1 321.377 1.783 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431656 714095329 /nfs/dbraw/zinc/09/53/29/714095329.db2.gz YTYUUFXSIZCLGM-GXTWGEPZSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431656 714095330 /nfs/dbraw/zinc/09/53/30/714095330.db2.gz YTYUUFXSIZCLGM-GXTWGEPZSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431656 714095331 /nfs/dbraw/zinc/09/53/31/714095331.db2.gz YTYUUFXSIZCLGM-GXTWGEPZSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431656 714095332 /nfs/dbraw/zinc/09/53/32/714095332.db2.gz YTYUUFXSIZCLGM-GXTWGEPZSA-N 2 1 305.378 1.987 20 5 DDBDMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000931486216 714109142 /nfs/dbraw/zinc/10/91/42/714109142.db2.gz YEOMXGPXXQNBMM-UHFFFAOYSA-N 2 1 311.357 1.622 20 5 DDBDMP C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000923279032 714295327 /nfs/dbraw/zinc/29/53/27/714295327.db2.gz BBQNXTZYOGPBII-CYBMUJFWSA-N 2 1 309.366 1.018 20 5 DDBDMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992060 762165816 /nfs/dbraw/zinc/16/58/16/762165816.db2.gz JFHAJNCAOBBSHF-ZFWWWQNUSA-N 2 1 304.394 1.777 20 5 DDBDMP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564304 892700473 /nfs/dbraw/zinc/70/04/73/892700473.db2.gz XHKYEOACEBKMRH-HZPDHXFCSA-N 2 1 305.378 1.238 20 5 DDBDMP [NH3+]C[C@]1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580893 896513900 /nfs/dbraw/zinc/51/39/00/896513900.db2.gz HTTVOUBZSLYYPJ-WBVHZDCISA-N 2 1 316.405 1.075 20 5 DDBDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603804 896527372 /nfs/dbraw/zinc/52/73/72/896527372.db2.gz QWQCKQJQQNHMRK-KRWDZBQOSA-N 2 1 318.421 1.241 20 5 DDBDMP COc1ccc(NC(=O)CC[N@H+](C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595902520 356697760 /nfs/dbraw/zinc/69/77/60/356697760.db2.gz RDABHOURONSFEQ-UHFFFAOYSA-N 2 1 324.381 1.601 20 5 DDBDMP COc1ccc(NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595902520 356697765 /nfs/dbraw/zinc/69/77/65/356697765.db2.gz RDABHOURONSFEQ-UHFFFAOYSA-N 2 1 324.381 1.601 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597942241 357392941 /nfs/dbraw/zinc/39/29/41/357392941.db2.gz IXPUEEZWIIZBMK-ZDUSSCGKSA-N 2 1 322.409 1.597 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000597942241 357392943 /nfs/dbraw/zinc/39/29/43/357392943.db2.gz IXPUEEZWIIZBMK-ZDUSSCGKSA-N 2 1 322.409 1.597 20 5 DDBDMP Cn1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603429023 359635186 /nfs/dbraw/zinc/63/51/86/359635186.db2.gz LBZSJOQUOXGUSR-ZIAGYGMSSA-N 2 1 323.397 1.047 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359276118 299391134 /nfs/dbraw/zinc/39/11/34/299391134.db2.gz CJSTXIZJDLWXAY-BETUJISGSA-N 2 1 318.377 1.383 20 5 DDBDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017390 307114491 /nfs/dbraw/zinc/11/44/91/307114491.db2.gz OIDFLILIDQXYMR-KBPBESRZSA-N 2 1 307.398 1.913 20 5 DDBDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017390 307114492 /nfs/dbraw/zinc/11/44/92/307114492.db2.gz OIDFLILIDQXYMR-KBPBESRZSA-N 2 1 307.398 1.913 20 5 DDBDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017390 307114493 /nfs/dbraw/zinc/11/44/93/307114493.db2.gz OIDFLILIDQXYMR-KBPBESRZSA-N 2 1 307.398 1.913 20 5 DDBDMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017390 307114494 /nfs/dbraw/zinc/11/44/94/307114494.db2.gz OIDFLILIDQXYMR-KBPBESRZSA-N 2 1 307.398 1.913 20 5 DDBDMP Cn1cc(C[N@@H+](C)CCC[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000567864663 308098876 /nfs/dbraw/zinc/09/88/76/308098876.db2.gz HLOHDEMSLGZGKT-UHFFFAOYSA-N 2 1 303.366 1.776 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261848852 698441225 /nfs/dbraw/zinc/44/12/25/698441225.db2.gz RJKNAOGYQWZXKU-INIZCTEOSA-N 2 1 320.393 1.903 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000262409445 698468382 /nfs/dbraw/zinc/46/83/82/698468382.db2.gz DAAYNPBOQJKJSD-CQSZACIVSA-N 2 1 324.812 1.728 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000262409445 698468385 /nfs/dbraw/zinc/46/83/85/698468385.db2.gz DAAYNPBOQJKJSD-CQSZACIVSA-N 2 1 324.812 1.728 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886841646 708859465 /nfs/dbraw/zinc/85/94/65/708859465.db2.gz RLAJDBNPGDCLFN-ILXRZTDVSA-N 2 1 320.393 1.851 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246554960 892693842 /nfs/dbraw/zinc/69/38/42/892693842.db2.gz AFPPLSKFIXMXIR-BBRMVZONSA-N 2 1 307.394 1.702 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246559079 892698144 /nfs/dbraw/zinc/69/81/44/892698144.db2.gz NFEMFNYYOHHEDD-XJKSGUPXSA-N 2 1 307.394 1.702 20 5 DDBDMP [NH3+][C@@H]1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246563194 892700248 /nfs/dbraw/zinc/70/02/48/892700248.db2.gz CHTQXJDSPVFGIP-NUEKZKHPSA-N 2 1 305.378 1.236 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C2 ZINC001254576316 896511510 /nfs/dbraw/zinc/51/15/10/896511510.db2.gz VNCZGPWLZUZZEQ-OAHLLOKOSA-N 2 1 305.378 1.108 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000593736104 355980781 /nfs/dbraw/zinc/98/07/81/355980781.db2.gz GIUBMONYPBBBLC-GUTXKFCHSA-N 2 1 323.397 1.010 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000595900856 356698453 /nfs/dbraw/zinc/69/84/53/356698453.db2.gz NUYDAXMAXQEIEN-AWEZNQCLSA-N 2 1 307.398 1.503 20 5 DDBDMP Cc1cc(NCC[N@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599200128 357847807 /nfs/dbraw/zinc/84/78/07/357847807.db2.gz XMDSSYMDQMDURJ-ZDUSSCGKSA-N 2 1 316.361 1.352 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000176251080 408325089 /nfs/dbraw/zinc/32/50/89/408325089.db2.gz FSIUFZWNAWCIEG-CQSZACIVSA-N 2 1 307.398 1.742 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000176251080 408325094 /nfs/dbraw/zinc/32/50/94/408325094.db2.gz FSIUFZWNAWCIEG-CQSZACIVSA-N 2 1 307.398 1.742 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351848661 410285666 /nfs/dbraw/zinc/28/56/66/410285666.db2.gz DSQAZABOSAZWKU-STQMWFEESA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430639061 420167845 /nfs/dbraw/zinc/16/78/45/420167845.db2.gz HDPPIRUZPXGQPD-LBPRGKRZSA-N 2 1 320.393 1.901 20 5 DDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430968963 420227787 /nfs/dbraw/zinc/22/77/87/420227787.db2.gz ZVFKQJNQPJGQIG-CYBMUJFWSA-N 2 1 320.393 1.773 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761765 420709948 /nfs/dbraw/zinc/70/99/48/420709948.db2.gz YPYDSMJOHYAEEH-CHWSQXEVSA-N 2 1 320.393 1.901 20 5 DDBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1 ZINC001336839088 869175731 /nfs/dbraw/zinc/17/57/31/869175731.db2.gz JMFQXIRPEHYWSS-VNQPRFMTSA-N 2 1 305.378 1.845 20 5 DDBDMP COc1ccc(C[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+])c([N+](=O)[O-])c1 ZINC001246452295 892635226 /nfs/dbraw/zinc/63/52/26/892635226.db2.gz JQRMMLHTYPEQCZ-ZDUSSCGKSA-N 3 1 324.425 1.453 20 5 DDBDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000566115247 304120028 /nfs/dbraw/zinc/12/00/28/304120028.db2.gz IHSSANDHDBUBME-MCIONIFRSA-N 2 1 323.393 1.407 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351847588 410286051 /nfs/dbraw/zinc/28/60/51/410286051.db2.gz AQPRIDCYSKHMQV-NWDGAFQWSA-N 2 1 309.366 1.651 20 5 DDBDMP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000420309766 420199516 /nfs/dbraw/zinc/19/95/16/420199516.db2.gz FMYMJTMHFMNPHN-AWEZNQCLSA-N 2 1 306.366 1.593 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C[NH3+])C1CC1 ZINC000420309766 420199519 /nfs/dbraw/zinc/19/95/19/420199519.db2.gz FMYMJTMHFMNPHN-AWEZNQCLSA-N 2 1 306.366 1.593 20 5 DDBDMP C[NH2+]C1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000430936755 420214675 /nfs/dbraw/zinc/21/46/75/420214675.db2.gz WOHWZLJZVZPJAQ-UHFFFAOYSA-N 2 1 320.393 1.916 20 5 DDBDMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420373418 420246839 /nfs/dbraw/zinc/24/68/39/420246839.db2.gz ZDTWQWJJFDYXQR-ZDUSSCGKSA-N 2 1 308.382 1.886 20 5 DDBDMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381743 420250418 /nfs/dbraw/zinc/25/04/18/420250418.db2.gz ZJHWHSGTCDHDCS-BFQNTYOBSA-N 2 1 320.393 1.900 20 5 DDBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000344869429 272132738 /nfs/dbraw/zinc/13/27/38/272132738.db2.gz RSIKXSZJQXYRFY-RQPMMQJISA-N 2 1 305.378 1.654 20 5 DDBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000344869429 272132739 /nfs/dbraw/zinc/13/27/39/272132739.db2.gz RSIKXSZJQXYRFY-RQPMMQJISA-N 2 1 305.378 1.654 20 5 DDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000846709023 703322234 /nfs/dbraw/zinc/32/22/34/703322234.db2.gz XWOTVLNTZIQZBE-GHMZBOCLSA-N 2 1 324.356 1.874 20 5 DDBDMP C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000819220984 704089156 /nfs/dbraw/zinc/08/91/56/704089156.db2.gz VJGDTGRUIASYLJ-LRDDRELGSA-N 2 1 305.378 1.868 20 5 DDBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000923330838 714317126 /nfs/dbraw/zinc/31/71/26/714317126.db2.gz CJSDOWYUUOJWJF-BVUBDWEXSA-N 2 1 305.378 1.687 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923356463 714325280 /nfs/dbraw/zinc/32/52/80/714325280.db2.gz RXWSEKQORSHOLR-CVEARBPZSA-N 2 1 305.378 1.704 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923356463 714325282 /nfs/dbraw/zinc/32/52/82/714325282.db2.gz RXWSEKQORSHOLR-CVEARBPZSA-N 2 1 305.378 1.704 20 5 DDBDMP Cc1nc(Cl)nc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157094453 863571021 /nfs/dbraw/zinc/57/10/21/863571021.db2.gz QAAKEMAYFLFYCE-UHFFFAOYSA-N 2 1 301.738 1.022 20 5 DDBDMP C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)C[NH2+]1 ZINC001162559412 867640746 /nfs/dbraw/zinc/64/07/46/867640746.db2.gz OQZIJFHVWSPBSW-VXGBXAGGSA-N 2 1 304.394 1.993 20 5 DDBDMP C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)C[NH2+]1 ZINC001162559412 867640757 /nfs/dbraw/zinc/64/07/57/867640757.db2.gz OQZIJFHVWSPBSW-VXGBXAGGSA-N 2 1 304.394 1.993 20 5 DDBDMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254593923 896520217 /nfs/dbraw/zinc/52/02/17/896520217.db2.gz BVAXPPUIXVAPFT-KMFMINBZSA-N 2 1 301.390 1.946 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254593923 896520224 /nfs/dbraw/zinc/52/02/24/896520224.db2.gz BVAXPPUIXVAPFT-KMFMINBZSA-N 2 1 301.390 1.946 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254593923 896520233 /nfs/dbraw/zinc/52/02/33/896520233.db2.gz BVAXPPUIXVAPFT-KMFMINBZSA-N 2 1 301.390 1.946 20 5 DDBDMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261929096 407676079 /nfs/dbraw/zinc/67/60/79/407676079.db2.gz JGTCURXTKDDIQS-LLVKDONJSA-N 2 1 306.366 1.593 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351851642 410290410 /nfs/dbraw/zinc/29/04/10/410290410.db2.gz LRHNAMISFYWDLD-STQMWFEESA-N 2 1 320.393 1.901 20 5 DDBDMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000359305292 410591747 /nfs/dbraw/zinc/59/17/47/410591747.db2.gz KTBHMENRKKTCNT-TXEJJXNPSA-N 2 1 304.350 1.075 20 5 DDBDMP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414935428 419881014 /nfs/dbraw/zinc/88/10/14/419881014.db2.gz YLVDDPWAYQVLDL-RYUDHWBXSA-N 2 1 309.366 1.972 20 5 DDBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)C[NH3+] ZINC000415047995 419921742 /nfs/dbraw/zinc/92/17/42/419921742.db2.gz BKHIFYQTCHMVFU-ZDUSSCGKSA-N 2 1 305.334 1.606 20 5 DDBDMP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)C[NH3+] ZINC000415047995 419921748 /nfs/dbraw/zinc/92/17/48/419921748.db2.gz BKHIFYQTCHMVFU-ZDUSSCGKSA-N 2 1 305.334 1.606 20 5 DDBDMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000430941924 420217142 /nfs/dbraw/zinc/21/71/42/420217142.db2.gz AGMRYHIIOMDZAM-GFCCVEGCSA-N 2 1 320.393 1.853 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000430620991 420160385 /nfs/dbraw/zinc/16/03/85/420160385.db2.gz CPWFKPNRGVNYEN-UHFFFAOYSA-N 2 1 320.393 1.916 20 5 DDBDMP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414935420 533907425 /nfs/dbraw/zinc/90/74/25/533907425.db2.gz YLVDDPWAYQVLDL-NEPJUHHUSA-N 2 1 309.366 1.972 20 5 DDBDMP COCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765848607 701028732 /nfs/dbraw/zinc/02/87/32/701028732.db2.gz IOYQJDQNPCRNFM-INIZCTEOSA-N 2 1 323.393 1.329 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438997 714098221 /nfs/dbraw/zinc/09/82/21/714098221.db2.gz MGMQUSBUTDCVHD-IJEWVQPXSA-N 2 1 305.378 1.512 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438997 714098225 /nfs/dbraw/zinc/09/82/25/714098225.db2.gz MGMQUSBUTDCVHD-IJEWVQPXSA-N 2 1 305.378 1.512 20 5 DDBDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001171763026 776450023 /nfs/dbraw/zinc/45/00/23/776450023.db2.gz REXIWWZHDNFLQL-UHFFFAOYSA-N 2 1 322.409 1.533 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001162798731 867832918 /nfs/dbraw/zinc/83/29/18/867832918.db2.gz UMYKEWIYQUZRII-IEFPBGJLSA-N 2 1 315.377 1.708 20 5 DDBDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000596424219 356874199 /nfs/dbraw/zinc/87/41/99/356874199.db2.gz DQJFEMXPXDAJFG-UHFFFAOYSA-N 2 1 313.377 1.612 20 5 DDBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000596424219 356874203 /nfs/dbraw/zinc/87/42/03/356874203.db2.gz DQJFEMXPXDAJFG-UHFFFAOYSA-N 2 1 313.377 1.612 20 5 DDBDMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414796995 224396534 /nfs/dbraw/zinc/39/65/34/224396534.db2.gz YMTPBLMFGVCPLT-AWEZNQCLSA-N 2 1 305.378 1.782 20 5 DDBDMP COc1ccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000260628844 407536723 /nfs/dbraw/zinc/53/67/23/407536723.db2.gz UEROMGJKGPKEMH-UHFFFAOYSA-N 2 1 322.365 1.213 20 5 DDBDMP O=[N+]([O-])c1ccn(C2CC[NH+](CCC[NH+]3CCCC3)CC2)n1 ZINC000365520035 418870972 /nfs/dbraw/zinc/87/09/72/418870972.db2.gz XFSLXJQADMMPBI-UHFFFAOYSA-N 2 1 307.398 1.914 20 5 DDBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000846709026 703322189 /nfs/dbraw/zinc/32/21/89/703322189.db2.gz XWOTVLNTZIQZBE-WDEREUQCSA-N 2 1 324.356 1.874 20 5 DDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000887132943 708966810 /nfs/dbraw/zinc/96/68/10/708966810.db2.gz QKDXHCCECYBBLD-ZDUSSCGKSA-N 2 1 316.365 1.397 20 5 DDBDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000887132943 708966812 /nfs/dbraw/zinc/96/68/12/708966812.db2.gz QKDXHCCECYBBLD-ZDUSSCGKSA-N 2 1 316.365 1.397 20 5 DDBDMP COc1ccc(OCC[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000903497485 711152904 /nfs/dbraw/zinc/15/29/04/711152904.db2.gz ZNFUWXIQMYYUTJ-CHWSQXEVSA-N 2 1 323.393 1.899 20 5 DDBDMP C[N@H+]1CC[C@@H]2CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]2C1 ZINC000931438771 714097983 /nfs/dbraw/zinc/09/79/83/714097983.db2.gz ZSYLQKWLHRDYSV-NEPJUHHUSA-N 2 1 315.377 1.855 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923413772 714347985 /nfs/dbraw/zinc/34/79/85/714347985.db2.gz GZUSNTRYHHAZFG-VNQPRFMTSA-N 2 1 305.378 1.702 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923413772 714347987 /nfs/dbraw/zinc/34/79/87/714347987.db2.gz GZUSNTRYHHAZFG-VNQPRFMTSA-N 2 1 305.378 1.702 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CC[C@](F)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001157816759 864167407 /nfs/dbraw/zinc/16/74/07/864167407.db2.gz GJGFHTSFZOAYNB-KQIUPUNMSA-N 2 1 309.345 1.399 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC001345136683 873268826 /nfs/dbraw/zinc/26/88/26/873268826.db2.gz HWIVGDABUYJPMK-SJORKVTESA-N 2 1 317.389 1.722 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC001345136683 873268841 /nfs/dbraw/zinc/26/88/41/873268841.db2.gz HWIVGDABUYJPMK-SJORKVTESA-N 2 1 317.389 1.722 20 5 DDBDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610654 896530083 /nfs/dbraw/zinc/53/00/83/896530083.db2.gz MGUOIRDTPNIZHY-UXLLHSPISA-N 2 1 301.390 1.946 20 5 DDBDMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610654 896530092 /nfs/dbraw/zinc/53/00/92/896530092.db2.gz MGUOIRDTPNIZHY-UXLLHSPISA-N 2 1 301.390 1.946 20 5 DDBDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610654 896530103 /nfs/dbraw/zinc/53/01/03/896530103.db2.gz MGUOIRDTPNIZHY-UXLLHSPISA-N 2 1 301.390 1.946 20 5 DDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257075 299109230 /nfs/dbraw/zinc/10/92/30/299109230.db2.gz TXTMOXWINZNAPN-CZUORRHYSA-N 2 1 307.394 1.572 20 5 DDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257075 299109231 /nfs/dbraw/zinc/10/92/31/299109231.db2.gz TXTMOXWINZNAPN-CZUORRHYSA-N 2 1 307.394 1.572 20 5 DDBDMP Cn1c[nH+]cc1CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961465 359323872 /nfs/dbraw/zinc/32/38/72/359323872.db2.gz AEYPQKGSGRKXGG-INIZCTEOSA-N 2 1 318.377 1.758 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430940248 420214305 /nfs/dbraw/zinc/21/43/05/420214305.db2.gz JNZOJRKCQLHSRI-LBPRGKRZSA-N 2 1 306.366 1.512 20 5 DDBDMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420284746 420182662 /nfs/dbraw/zinc/18/26/62/420182662.db2.gz DKDNCDAXAHYFIY-OAHLLOKOSA-N 2 1 306.366 1.640 20 5 DDBDMP Cn1c[nH+]cc1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000572300251 421775217 /nfs/dbraw/zinc/77/52/17/421775217.db2.gz YVZXPWCISWCAJN-UHFFFAOYSA-N 2 1 318.381 1.795 20 5 DDBDMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000261938689 698445798 /nfs/dbraw/zinc/44/57/98/698445798.db2.gz UJVQDNALNCESBM-AWEZNQCLSA-N 2 1 320.393 1.083 20 5 DDBDMP C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000923279033 714295128 /nfs/dbraw/zinc/29/51/28/714295128.db2.gz BBQNXTZYOGPBII-ZDUSSCGKSA-N 2 1 309.366 1.018 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC001119618485 781538489 /nfs/dbraw/zinc/53/84/89/781538489.db2.gz LKDQKCRGTWPJRF-HNNXBMFYSA-N 2 1 303.362 1.331 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC001119618485 781538494 /nfs/dbraw/zinc/53/84/94/781538494.db2.gz LKDQKCRGTWPJRF-HNNXBMFYSA-N 2 1 303.362 1.331 20 5 DDBDMP C[C@@H](C[N+](C)(C)C)OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224960977 881611553 /nfs/dbraw/zinc/61/15/53/881611553.db2.gz JHZZWUFKHMWSLX-WMZOPIPTSA-N 2 1 307.458 1.999 20 5 DDBDMP C[C@@H](C[N+](C)(C)C)OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224960977 881611562 /nfs/dbraw/zinc/61/15/62/881611562.db2.gz JHZZWUFKHMWSLX-WMZOPIPTSA-N 2 1 307.458 1.999 20 5 DDBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001353238319 877207378 /nfs/dbraw/zinc/20/73/78/877207378.db2.gz FRNSFSCNRYWZTF-IUODEOHRSA-N 2 1 302.334 1.429 20 5 DDBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001353238322 877208302 /nfs/dbraw/zinc/20/83/02/877208302.db2.gz FRNSFSCNRYWZTF-WFASDCNBSA-N 2 1 302.334 1.429 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001254548203 896498112 /nfs/dbraw/zinc/49/81/12/896498112.db2.gz LFQGIEMRFGUBKI-DYVFJYSZSA-N 2 1 318.421 1.539 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001254550969 896499676 /nfs/dbraw/zinc/49/96/76/896499676.db2.gz UMJFZDSOSTYONC-HNNXBMFYSA-N 2 1 320.437 1.705 20 5 DDBDMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489470 355598277 /nfs/dbraw/zinc/59/82/77/355598277.db2.gz VZXGULYJPXEOMU-SWLSCSKDSA-N 2 1 320.393 1.983 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000595902538 356698163 /nfs/dbraw/zinc/69/81/63/356698163.db2.gz RIYHHBFENPJEMS-UHFFFAOYSA-N 2 1 324.381 1.601 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595902538 356698166 /nfs/dbraw/zinc/69/81/66/356698166.db2.gz RIYHHBFENPJEMS-UHFFFAOYSA-N 2 1 324.381 1.601 20 5 DDBDMP Cc1nn(C)c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596364583 356864311 /nfs/dbraw/zinc/86/43/11/356864311.db2.gz PAAVRFNCBXJUDU-NSHDSACASA-N 2 1 312.418 1.321 20 5 DDBDMP Cc1nn(C)c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596364583 356864313 /nfs/dbraw/zinc/86/43/13/356864313.db2.gz PAAVRFNCBXJUDU-NSHDSACASA-N 2 1 312.418 1.321 20 5 DDBDMP Cc1[nH+]ccn1CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963508 359326954 /nfs/dbraw/zinc/32/69/54/359326954.db2.gz WZOIEITUECSGHU-MRXNPFEDSA-N 2 1 318.377 1.987 20 5 DDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261846256 407638111 /nfs/dbraw/zinc/63/81/11/407638111.db2.gz ZFQDQPMLGOXDSQ-CHWSQXEVSA-N 2 1 320.393 1.443 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134916911 162089983 /nfs/dbraw/zinc/08/99/83/162089983.db2.gz KSAGSJCWHRTRND-CJNGLKHVSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134916911 162089986 /nfs/dbraw/zinc/08/99/86/162089986.db2.gz KSAGSJCWHRTRND-CJNGLKHVSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134916911 162089987 /nfs/dbraw/zinc/08/99/87/162089987.db2.gz KSAGSJCWHRTRND-CJNGLKHVSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134916911 162089990 /nfs/dbraw/zinc/08/99/90/162089990.db2.gz KSAGSJCWHRTRND-CJNGLKHVSA-N 2 1 319.409 1.740 20 5 DDBDMP CN(CCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000289354656 409253279 /nfs/dbraw/zinc/25/32/79/409253279.db2.gz GPPRUMAMDIQSKP-UHFFFAOYSA-N 2 1 322.453 1.953 20 5 DDBDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254181 410419082 /nfs/dbraw/zinc/41/90/82/410419082.db2.gz PDAYITXRDGJESZ-WBVHZDCISA-N 2 1 319.405 1.572 20 5 DDBDMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254181 410419089 /nfs/dbraw/zinc/41/90/89/410419089.db2.gz PDAYITXRDGJESZ-WBVHZDCISA-N 2 1 319.405 1.572 20 5 DDBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430928515 420210935 /nfs/dbraw/zinc/21/09/35/420210935.db2.gz UJSXJESTBMWHQQ-OLZOCXBDSA-N 2 1 320.393 1.983 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351406 281021965 /nfs/dbraw/zinc/02/19/65/281021965.db2.gz WYGSUEROXXCTFI-HOCLYGCPSA-N 2 1 318.421 1.944 20 5 DDBDMP CC1(C)CC[NH2+]CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000866698964 706767910 /nfs/dbraw/zinc/76/79/10/706767910.db2.gz HJDBBIBHMGXDOG-UHFFFAOYSA-N 2 1 320.393 1.997 20 5 DDBDMP CC1(C)CC[NH2+]CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000866698964 706767911 /nfs/dbraw/zinc/76/79/11/706767911.db2.gz HJDBBIBHMGXDOG-UHFFFAOYSA-N 2 1 320.393 1.997 20 5 DDBDMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886839267 708858944 /nfs/dbraw/zinc/85/89/44/708858944.db2.gz AIRMYZHHNDIWHG-HUUCEWRRSA-N 2 1 320.393 1.708 20 5 DDBDMP C[N@H+]1CCN(CCC[NH2+]CC[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000905033720 711914340 /nfs/dbraw/zinc/91/43/40/711914340.db2.gz HFRFKCXLWIYIIY-MRXNPFEDSA-N 2 1 306.410 1.232 20 5 DDBDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025098 762202386 /nfs/dbraw/zinc/20/23/86/762202386.db2.gz SJDNYDMBMBWQBU-LVQVYYBASA-N 2 1 310.442 1.142 20 5 DDBDMP C[C@H](C[N+](C)(C)C)OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224960974 881611092 /nfs/dbraw/zinc/61/10/92/881611092.db2.gz JHZZWUFKHMWSLX-AEFFLSMTSA-N 2 1 307.458 1.999 20 5 DDBDMP C[C@H](C[N+](C)(C)C)OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224960974 881611102 /nfs/dbraw/zinc/61/11/02/881611102.db2.gz JHZZWUFKHMWSLX-AEFFLSMTSA-N 2 1 307.458 1.999 20 5 DDBDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001332981828 866308608 /nfs/dbraw/zinc/30/86/08/866308608.db2.gz PIMSAEHWNHVDOJ-CXTZMWEQSA-N 2 1 307.398 1.957 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246544771 892688949 /nfs/dbraw/zinc/68/89/49/892688949.db2.gz SURXWCAZKCOYSV-BBRMVZONSA-N 2 1 307.394 1.702 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593731303 355979216 /nfs/dbraw/zinc/97/92/16/355979216.db2.gz WCHFYTQKAFFCGX-BPLDGKMQSA-N 2 1 323.397 1.152 20 5 DDBDMP O=[N+]([O-])c1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594503157 356238391 /nfs/dbraw/zinc/23/83/91/356238391.db2.gz UQBMHUMJRHQABX-QGZVFWFLSA-N 2 1 319.405 1.980 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000602796360 359197198 /nfs/dbraw/zinc/19/71/98/359197198.db2.gz XYGKEKWNTWIWQV-LBPRGKRZSA-N 2 1 304.354 1.702 20 5 DDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000351495710 284344142 /nfs/dbraw/zinc/34/41/42/284344142.db2.gz PYRQOGOCZUZIBL-NILFDRSVSA-N 2 1 318.377 1.593 20 5 DDBDMP C[N@H+]1CCC[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579886 408022201 /nfs/dbraw/zinc/02/22/01/408022201.db2.gz IHEYZFTXTUANNS-DZGCQCFKSA-N 2 1 320.393 1.173 20 5 DDBDMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579886 408022205 /nfs/dbraw/zinc/02/22/05/408022205.db2.gz IHEYZFTXTUANNS-DZGCQCFKSA-N 2 1 320.393 1.173 20 5 DDBDMP C[N@H+]1CCC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579886 408022209 /nfs/dbraw/zinc/02/22/09/408022209.db2.gz IHEYZFTXTUANNS-DZGCQCFKSA-N 2 1 320.393 1.173 20 5 DDBDMP C[NH+]1CCC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579886 408022211 /nfs/dbraw/zinc/02/22/11/408022211.db2.gz IHEYZFTXTUANNS-DZGCQCFKSA-N 2 1 320.393 1.173 20 5 DDBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579886 408022216 /nfs/dbraw/zinc/02/22/16/408022216.db2.gz IHEYZFTXTUANNS-DZGCQCFKSA-N 2 1 320.393 1.173 20 5 DDBDMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420295098 420187306 /nfs/dbraw/zinc/18/73/06/420187306.db2.gz UUOCSXYNIYUJML-OAHLLOKOSA-N 2 1 306.366 1.640 20 5 DDBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430921132 420205923 /nfs/dbraw/zinc/20/59/23/420205923.db2.gz XDKWZGBCBCWHOF-NWDGAFQWSA-N 2 1 320.393 1.981 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396957 420262221 /nfs/dbraw/zinc/26/22/21/420262221.db2.gz FMXUGTIKASRLQR-STQMWFEESA-N 2 1 323.393 1.899 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396957 420262225 /nfs/dbraw/zinc/26/22/25/420262225.db2.gz FMXUGTIKASRLQR-STQMWFEESA-N 2 1 323.393 1.899 20 5 DDBDMP [NH3+]C1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000430602833 534568227 /nfs/dbraw/zinc/56/82/27/534568227.db2.gz LZEYMIQRZBUTJF-UHFFFAOYSA-N 2 1 320.349 1.316 20 5 DDBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000729683526 699485077 /nfs/dbraw/zinc/48/50/77/699485077.db2.gz WTNFIPUFOQEYOI-UHFFFAOYSA-N 2 1 306.410 1.712 20 5 DDBDMP Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000902484522 710768304 /nfs/dbraw/zinc/76/83/04/710768304.db2.gz FVQHJENOJQNLRI-UXIGCNINSA-N 2 1 315.377 1.745 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903882374 711315045 /nfs/dbraw/zinc/31/50/45/711315045.db2.gz NCGKOILCVDQXEO-RHSMWYFYSA-N 2 1 317.389 1.722 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903882374 711315052 /nfs/dbraw/zinc/31/50/52/711315052.db2.gz NCGKOILCVDQXEO-RHSMWYFYSA-N 2 1 317.389 1.722 20 5 DDBDMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903964065 711349637 /nfs/dbraw/zinc/34/96/37/711349637.db2.gz KOKITNVVBLOIBK-MLGOLLRUSA-N 2 1 304.394 1.761 20 5 DDBDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001152439517 747457828 /nfs/dbraw/zinc/45/78/28/747457828.db2.gz OBAQYJIMDAWBGF-UHFFFAOYSA-N 2 1 308.382 1.141 20 5 DDBDMP C[C@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)[C@@H]1C[NH2+]CCO1 ZINC001170577369 768264410 /nfs/dbraw/zinc/26/44/10/768264410.db2.gz ZFFNTXJYUKMEBX-ZBEGNZNMSA-N 2 1 320.393 1.372 20 5 DDBDMP C[C@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)[C@@H]1C[NH2+]CCO1 ZINC001170577369 768264412 /nfs/dbraw/zinc/26/44/12/768264412.db2.gz ZFFNTXJYUKMEBX-ZBEGNZNMSA-N 2 1 320.393 1.372 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001254548200 896499144 /nfs/dbraw/zinc/49/91/44/896499144.db2.gz LFQGIEMRFGUBKI-CXAGYDPISA-N 2 1 318.421 1.539 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001254558337 896502749 /nfs/dbraw/zinc/50/27/49/896502749.db2.gz FSMRHXREEQUEGL-OAHLLOKOSA-N 2 1 320.437 1.705 20 5 DDBDMP COCCC1([NH3+])CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585276 896515436 /nfs/dbraw/zinc/51/54/36/896515436.db2.gz DBDWQPJZHZQKGM-INIZCTEOSA-N 2 1 319.405 1.892 20 5 DDBDMP C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404323810 354676084 /nfs/dbraw/zinc/67/60/84/354676084.db2.gz SSAOMUQQOLOUHV-RISCZKNCSA-N 2 1 320.393 1.643 20 5 DDBDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404323810 354676086 /nfs/dbraw/zinc/67/60/86/354676086.db2.gz SSAOMUQQOLOUHV-RISCZKNCSA-N 2 1 320.393 1.643 20 5 DDBDMP O=[N+]([O-])c1ccccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000591285029 355278397 /nfs/dbraw/zinc/27/83/97/355278397.db2.gz ZHZNGBKIYCSMJG-ZBFHGGJFSA-N 2 1 317.389 1.795 20 5 DDBDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889178 408361695 /nfs/dbraw/zinc/36/16/95/408361695.db2.gz IUDPJRCCILMRBC-ZIAGYGMSSA-N 2 1 319.409 1.960 20 5 DDBDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889178 408361698 /nfs/dbraw/zinc/36/16/98/408361698.db2.gz IUDPJRCCILMRBC-ZIAGYGMSSA-N 2 1 319.409 1.960 20 5 DDBDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889178 408361700 /nfs/dbraw/zinc/36/17/00/408361700.db2.gz IUDPJRCCILMRBC-ZIAGYGMSSA-N 2 1 319.409 1.960 20 5 DDBDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246889178 408361702 /nfs/dbraw/zinc/36/17/02/408361702.db2.gz IUDPJRCCILMRBC-ZIAGYGMSSA-N 2 1 319.409 1.960 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351847589 410287020 /nfs/dbraw/zinc/28/70/20/410287020.db2.gz AQPRIDCYSKHMQV-RYUDHWBXSA-N 2 1 309.366 1.651 20 5 DDBDMP C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000580114547 422891861 /nfs/dbraw/zinc/89/18/61/422891861.db2.gz ZUGSGVGIXRIJQM-CQSZACIVSA-N 2 1 309.366 1.018 20 5 DDBDMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000415134784 419960612 /nfs/dbraw/zinc/96/06/12/419960612.db2.gz WDVMAQVRBKXBCK-HNNXBMFYSA-N 2 1 316.365 1.482 20 5 DDBDMP COC[C@]1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000423408909 420042515 /nfs/dbraw/zinc/04/25/15/420042515.db2.gz BBTVIQQMTUVADC-CZUORRHYSA-N 2 1 307.394 1.884 20 5 DDBDMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843347177 702863846 /nfs/dbraw/zinc/86/38/46/702863846.db2.gz BOFZFMKBLXRCEX-NSHDSACASA-N 2 1 324.356 1.733 20 5 DDBDMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000903964248 711349530 /nfs/dbraw/zinc/34/95/30/711349530.db2.gz GHUFGQLVFSHCRQ-PWSUYJOCSA-N 2 1 309.366 1.557 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432745 714095885 /nfs/dbraw/zinc/09/58/85/714095885.db2.gz CAUAWBSBHZVATE-KGLIPLIRSA-N 2 1 305.378 1.857 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931432745 714095888 /nfs/dbraw/zinc/09/58/88/714095888.db2.gz CAUAWBSBHZVATE-KGLIPLIRSA-N 2 1 305.378 1.857 20 5 DDBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000923386845 714337166 /nfs/dbraw/zinc/33/71/66/714337166.db2.gz KGYCYAZVJKMENV-IMJJTQAJSA-N 2 1 305.378 1.689 20 5 DDBDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030385 762186736 /nfs/dbraw/zinc/18/67/36/762186736.db2.gz ZDLKVPIZLJANCO-UONOGXRCSA-N 2 1 315.414 1.249 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001173235384 777064820 /nfs/dbraw/zinc/06/48/20/777064820.db2.gz SJYMYYAPVYEAAD-WCQYABFASA-N 2 1 304.350 1.457 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCn3c[nH+]cc3C2)c1 ZINC001336016246 868681297 /nfs/dbraw/zinc/68/12/97/868681297.db2.gz DNWZGBSQDVQGAH-SWLSCSKDSA-N 2 1 302.334 1.429 20 5 DDBDMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022414 868685216 /nfs/dbraw/zinc/68/52/16/868685216.db2.gz XYWIZRYWSFNJMA-BBRMVZONSA-N 2 1 307.394 1.950 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246620931 892743662 /nfs/dbraw/zinc/74/36/62/892743662.db2.gz BVICFCPIHXZQLG-XJKSGUPXSA-N 2 1 304.394 1.163 20 5 DDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257073 299109206 /nfs/dbraw/zinc/10/92/06/299109206.db2.gz TXTMOXWINZNAPN-BBRMVZONSA-N 2 1 307.394 1.572 20 5 DDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257073 299109207 /nfs/dbraw/zinc/10/92/07/299109207.db2.gz TXTMOXWINZNAPN-BBRMVZONSA-N 2 1 307.394 1.572 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430021 359635064 /nfs/dbraw/zinc/63/50/64/359635064.db2.gz QIVYWIIUNRJICL-CHWSQXEVSA-N 2 1 307.398 1.540 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352540087 285127308 /nfs/dbraw/zinc/12/73/08/285127308.db2.gz GXUCPHPQVZWUGE-INIZCTEOSA-N 2 1 304.394 1.383 20 5 DDBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000414789839 224395158 /nfs/dbraw/zinc/39/51/58/224395158.db2.gz OTLBHYPXWCQDFL-CQSZACIVSA-N 2 1 305.378 1.782 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351848659 410286078 /nfs/dbraw/zinc/28/60/78/410286078.db2.gz DSQAZABOSAZWKU-QWHCGFSZSA-N 2 1 320.393 1.901 20 5 DDBDMP O=[N+]([O-])c1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cs1 ZINC000415053303 419922942 /nfs/dbraw/zinc/92/29/42/419922942.db2.gz MLEOPIGBIQTZDG-UHFFFAOYSA-N 2 1 324.450 1.962 20 5 DDBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420326436 420211047 /nfs/dbraw/zinc/21/10/47/420211047.db2.gz CHIAVNICVLJQOZ-OKILXGFUSA-N 2 1 305.378 1.905 20 5 DDBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH3+])CC1 ZINC000430651133 420172364 /nfs/dbraw/zinc/17/23/64/420172364.db2.gz VSLRKLXVOFDFTQ-NSHDSACASA-N 2 1 306.366 1.593 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378154 420248793 /nfs/dbraw/zinc/24/87/93/420248793.db2.gz WXEKLIDPMMSVTP-HSMVNMDESA-N 2 1 320.393 1.900 20 5 DDBDMP CN(C(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000565096438 308020048 /nfs/dbraw/zinc/02/00/48/308020048.db2.gz RMADJBBSZGMEHR-UHFFFAOYSA-N 2 1 320.393 1.618 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)c1 ZINC000876935845 705930111 /nfs/dbraw/zinc/93/01/11/705930111.db2.gz RSPZKJAHXJSICT-VHMBPLKRSA-N 2 1 305.382 1.711 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)c1 ZINC000876935845 705930112 /nfs/dbraw/zinc/93/01/12/705930112.db2.gz RSPZKJAHXJSICT-VHMBPLKRSA-N 2 1 305.382 1.711 20 5 DDBDMP C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1C[NH3+] ZINC000904410717 711854469 /nfs/dbraw/zinc/85/44/69/711854469.db2.gz FYBCPMLRQTXRGB-RYUDHWBXSA-N 2 1 321.377 1.783 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000923413769 714348006 /nfs/dbraw/zinc/34/80/06/714348006.db2.gz GZUSNTRYHHAZFG-FVQBIDKESA-N 2 1 305.378 1.702 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000923413769 714348007 /nfs/dbraw/zinc/34/80/07/714348007.db2.gz GZUSNTRYHHAZFG-FVQBIDKESA-N 2 1 305.378 1.702 20 5 DDBDMP Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155364119 861997823 /nfs/dbraw/zinc/99/78/23/861997823.db2.gz UWSWTLAEOXQKIO-CYBMUJFWSA-N 2 1 305.382 1.158 20 5 DDBDMP C[NH+](C)/C=C/c1cc(-n2ccc(C[NH3+])cc2=N)ncc1[N+](=O)[O-] ZINC001156853802 863399003 /nfs/dbraw/zinc/39/90/03/863399003.db2.gz WXWNBRCARZMMMF-ZMOFNHTQSA-N 2 1 314.349 1.251 20 5 DDBDMP [NH3+]CCC[NH2+]CCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246453919 892635721 /nfs/dbraw/zinc/63/57/21/892635721.db2.gz RATZSCFBGFZVGP-INIZCTEOSA-N 3 1 320.437 1.760 20 5 DDBDMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246577608 892709690 /nfs/dbraw/zinc/70/96/90/892709690.db2.gz BNXMRBSWHQXUTG-SQWLQELKSA-N 2 1 305.378 1.094 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246631629 892753583 /nfs/dbraw/zinc/75/35/83/892753583.db2.gz RTGQVJFLFUBEHC-XJKSGUPXSA-N 2 1 304.394 1.163 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347202380 283207008 /nfs/dbraw/zinc/20/70/08/283207008.db2.gz KGMWFDRXFZDWMY-AWEZNQCLSA-N 2 1 320.393 1.190 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246518867 408279616 /nfs/dbraw/zinc/27/96/16/408279616.db2.gz IPUKQCNMPHFQGS-DZGCQCFKSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000246518867 408279623 /nfs/dbraw/zinc/27/96/23/408279623.db2.gz IPUKQCNMPHFQGS-DZGCQCFKSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246518867 408279630 /nfs/dbraw/zinc/27/96/30/408279630.db2.gz IPUKQCNMPHFQGS-DZGCQCFKSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246518867 408279638 /nfs/dbraw/zinc/27/96/38/408279638.db2.gz IPUKQCNMPHFQGS-DZGCQCFKSA-N 2 1 319.409 1.740 20 5 DDBDMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000430966113 420226335 /nfs/dbraw/zinc/22/63/35/420226335.db2.gz MMCJNQLSIMWDLK-UHFFFAOYSA-N 2 1 320.393 1.773 20 5 DDBDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423038573 278309567 /nfs/dbraw/zinc/30/95/67/278309567.db2.gz OMGSLKVDBCJGQN-MNOVXSKESA-N 2 1 315.395 1.084 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1C[N@@H+](C)CCN1C ZINC000531970542 303268292 /nfs/dbraw/zinc/26/82/92/303268292.db2.gz CRTUHCUNKJGXHM-ZFWWWQNUSA-N 2 1 306.410 1.800 20 5 DDBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571773013 308201846 /nfs/dbraw/zinc/20/18/46/308201846.db2.gz VNCBMWOVCGFFFK-NWDGAFQWSA-N 2 1 306.366 1.735 20 5 DDBDMP C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000880260980 706924176 /nfs/dbraw/zinc/92/41/76/706924176.db2.gz RTYGEYRMSBZDMS-ZDUSSCGKSA-N 2 1 316.365 1.397 20 5 DDBDMP C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000880260980 706924178 /nfs/dbraw/zinc/92/41/78/706924178.db2.gz RTYGEYRMSBZDMS-ZDUSSCGKSA-N 2 1 316.365 1.397 20 5 DDBDMP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925598204 714896272 /nfs/dbraw/zinc/89/62/72/714896272.db2.gz QQFBYGDXQUAOIU-QYPKEOEOSA-N 2 1 303.362 1.560 20 5 DDBDMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022417 868684933 /nfs/dbraw/zinc/68/49/33/868684933.db2.gz XYWIZRYWSFNJMA-XJKSGUPXSA-N 2 1 307.394 1.950 20 5 DDBDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570549 879104450 /nfs/dbraw/zinc/10/44/50/879104450.db2.gz MQJJLYASOSONOP-ZIAGYGMSSA-N 2 1 323.393 1.266 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000597237346 357105903 /nfs/dbraw/zinc/10/59/03/357105903.db2.gz YQOUVODOQYQXHR-KRWDZBQOSA-N 2 1 319.405 1.934 20 5 DDBDMP [NH3+]C[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430928868 420210628 /nfs/dbraw/zinc/21/06/28/420210628.db2.gz VCYINTQIYAWDDN-NSHDSACASA-N 2 1 320.349 1.173 20 5 DDBDMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420409779 420268725 /nfs/dbraw/zinc/26/87/25/420268725.db2.gz QWAJDVOFQSFSSQ-OLZOCXBDSA-N 2 1 320.393 1.840 20 5 DDBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000442776197 420713372 /nfs/dbraw/zinc/71/33/72/420713372.db2.gz BSYJACOOLZQXAA-NEPJUHHUSA-N 2 1 306.366 1.593 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442778368 420714215 /nfs/dbraw/zinc/71/42/15/420714215.db2.gz FZBSARZYGULONM-QWHCGFSZSA-N 2 1 320.393 1.901 20 5 DDBDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000519659614 421714396 /nfs/dbraw/zinc/71/43/96/421714396.db2.gz XIYRINPFFLKADM-AWEZNQCLSA-N 2 1 305.378 1.782 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000377963508 302257869 /nfs/dbraw/zinc/25/78/69/302257869.db2.gz UYDKLOYVNBJCGI-RDBSUJKOSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000377963508 302257870 /nfs/dbraw/zinc/25/78/70/302257870.db2.gz UYDKLOYVNBJCGI-RDBSUJKOSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000377963508 302257872 /nfs/dbraw/zinc/25/78/72/302257872.db2.gz UYDKLOYVNBJCGI-RDBSUJKOSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000377963508 302257874 /nfs/dbraw/zinc/25/78/74/302257874.db2.gz UYDKLOYVNBJCGI-RDBSUJKOSA-N 2 1 305.382 1.207 20 5 DDBDMP C[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000566909738 308066251 /nfs/dbraw/zinc/06/62/51/308066251.db2.gz MLUVNRGDRWCERJ-UHFFFAOYSA-N 2 1 306.366 1.607 20 5 DDBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262534284 698473330 /nfs/dbraw/zinc/47/33/30/698473330.db2.gz QAUGDRVPDOWLRX-ZIAGYGMSSA-N 2 1 304.394 1.635 20 5 DDBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[N+](=O)[O-])CC1 ZINC000791053324 699608870 /nfs/dbraw/zinc/60/88/70/699608870.db2.gz DGTYLZIGXDRQLI-CYBMUJFWSA-N 2 1 324.400 1.895 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000818963294 704036159 /nfs/dbraw/zinc/03/61/59/704036159.db2.gz NTSXJOWQFLYJAS-IJEWVQPXSA-N 2 1 305.378 1.845 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000818963294 704036160 /nfs/dbraw/zinc/03/61/60/704036160.db2.gz NTSXJOWQFLYJAS-IJEWVQPXSA-N 2 1 305.378 1.845 20 5 DDBDMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000902445245 710756990 /nfs/dbraw/zinc/75/69/90/710756990.db2.gz PJBGZRKUVNAJFD-XQQFMLRXSA-N 2 1 307.398 1.863 20 5 DDBDMP O=[N+]([O-])c1ccccc1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903922761 711333555 /nfs/dbraw/zinc/33/35/55/711333555.db2.gz DLYLSQIXUIMNCY-CYBMUJFWSA-N 2 1 316.365 1.401 20 5 DDBDMP C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000923336032 714319711 /nfs/dbraw/zinc/31/97/11/714319711.db2.gz UAYDNAZLCAQQLT-ZFWWWQNUSA-N 2 1 323.393 1.408 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000923371048 714331638 /nfs/dbraw/zinc/33/16/38/714331638.db2.gz URIYHHQVQCWIBF-NFFDBFGFSA-N 2 1 323.393 1.311 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+][C@H]3CC[NH2+]CC[C@@H]31)C2 ZINC001246619413 892743607 /nfs/dbraw/zinc/74/36/07/892743607.db2.gz QYBCIMNRCMDXBO-ULQDDVLXSA-N 2 1 316.405 1.088 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246859548 892949059 /nfs/dbraw/zinc/94/90/59/892949059.db2.gz LFPFGSWILVNELD-CLJRNHLWSA-N 2 1 305.378 1.431 20 5 DDBDMP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594496082 356237488 /nfs/dbraw/zinc/23/74/88/356237488.db2.gz ZKVNFFACRKIWAR-QGZVFWFLSA-N 2 1 319.405 1.980 20 5 DDBDMP C[NH+](C)CCC[N@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596425143 356875201 /nfs/dbraw/zinc/87/52/01/356875201.db2.gz MJWVSZZXENZHST-UHFFFAOYSA-N 2 1 321.425 1.858 20 5 DDBDMP C[NH+](C)CCC[N@@H+](C)CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596425143 356875203 /nfs/dbraw/zinc/87/52/03/356875203.db2.gz MJWVSZZXENZHST-UHFFFAOYSA-N 2 1 321.425 1.858 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000602782544 359187148 /nfs/dbraw/zinc/18/71/48/359187148.db2.gz CSJMQSHSYFHWGH-UONOGXRCSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000602782544 359187150 /nfs/dbraw/zinc/18/71/50/359187150.db2.gz CSJMQSHSYFHWGH-UONOGXRCSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000602782544 359187152 /nfs/dbraw/zinc/18/71/52/359187152.db2.gz CSJMQSHSYFHWGH-UONOGXRCSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000602782544 359187154 /nfs/dbraw/zinc/18/71/54/359187154.db2.gz CSJMQSHSYFHWGH-UONOGXRCSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261643513 407567101 /nfs/dbraw/zinc/56/71/01/407567101.db2.gz DOFDTFVXJQWJBS-AWEZNQCLSA-N 2 1 320.393 1.190 20 5 DDBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000261978952 407698223 /nfs/dbraw/zinc/69/82/23/407698223.db2.gz IYUWYVKWUHRLHC-HNNXBMFYSA-N 2 1 320.393 1.414 20 5 DDBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000261978952 407698228 /nfs/dbraw/zinc/69/82/28/407698228.db2.gz IYUWYVKWUHRLHC-HNNXBMFYSA-N 2 1 320.393 1.414 20 5 DDBDMP COC[C@@]1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000423408908 420042812 /nfs/dbraw/zinc/04/28/12/420042812.db2.gz BBTVIQQMTUVADC-CJNGLKHVSA-N 2 1 307.394 1.884 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430931040 420210903 /nfs/dbraw/zinc/21/09/03/420210903.db2.gz CCQOLKCRUALTRQ-LBPRGKRZSA-N 2 1 320.393 1.901 20 5 DDBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063897 420742275 /nfs/dbraw/zinc/74/22/75/420742275.db2.gz XISDSYYZYVVQII-OLZOCXBDSA-N 2 1 320.393 1.983 20 5 DDBDMP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262437512 698469962 /nfs/dbraw/zinc/46/99/62/698469962.db2.gz GLWBDRPMAFUIBU-AWEZNQCLSA-N 2 1 308.357 1.213 20 5 DDBDMP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262437512 698469964 /nfs/dbraw/zinc/46/99/64/698469964.db2.gz GLWBDRPMAFUIBU-AWEZNQCLSA-N 2 1 308.357 1.213 20 5 DDBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262534277 698473619 /nfs/dbraw/zinc/47/36/19/698473619.db2.gz QAUGDRVPDOWLRX-KBPBESRZSA-N 2 1 304.394 1.635 20 5 DDBDMP C[NH+]1CCC(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000892079311 710367572 /nfs/dbraw/zinc/36/75/72/710367572.db2.gz ZPFVUZIOCZGKDK-AWEZNQCLSA-N 2 1 319.409 1.818 20 5 DDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC000902469015 710763818 /nfs/dbraw/zinc/76/38/18/710763818.db2.gz NOAIUIDKPKGYHQ-RYMFRWLXSA-N 2 1 305.382 1.758 20 5 DDBDMP CCc1nc(C[NH+]2CCC(C[NH2+]CC[N+](=O)[O-])CC2)cs1 ZINC000905103192 711937096 /nfs/dbraw/zinc/93/70/96/711937096.db2.gz JUUJZPCXUQDRAS-UHFFFAOYSA-N 2 1 312.439 1.784 20 5 DDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923376770 714333627 /nfs/dbraw/zinc/33/36/27/714333627.db2.gz ONNFBDWTSQZIQR-AWEZNQCLSA-N 2 1 305.378 1.448 20 5 DDBDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173383951 198208091 /nfs/dbraw/zinc/20/80/91/198208091.db2.gz RZSJIAYAFQMHBA-ZDUSSCGKSA-N 2 1 320.393 1.410 20 5 DDBDMP C[N@H+]1CC[C@@](O)(CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599064839 357805992 /nfs/dbraw/zinc/80/59/92/357805992.db2.gz FONYJIVDEMXNFT-OAHLLOKOSA-N 2 1 302.334 1.622 20 5 DDBDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000130049531 407649690 /nfs/dbraw/zinc/64/96/90/407649690.db2.gz CFRFSKWFLCUFAF-KBPBESRZSA-N 2 1 323.393 1.218 20 5 DDBDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000130049531 407649696 /nfs/dbraw/zinc/64/96/96/407649696.db2.gz CFRFSKWFLCUFAF-KBPBESRZSA-N 2 1 323.393 1.218 20 5 DDBDMP CC[NH+](C)CCNc1nc(NCC[N@H+](C)CC)ccc1[N+](=O)[O-] ZINC000192287644 408568378 /nfs/dbraw/zinc/56/83/78/408568378.db2.gz OAVLDDINWCBNLY-UHFFFAOYSA-N 2 1 324.429 1.717 20 5 DDBDMP CC[NH+](C)CCNc1ccc([N+](=O)[O-])c(NCC[N@H+](C)CC)n1 ZINC000192287644 408568385 /nfs/dbraw/zinc/56/83/85/408568385.db2.gz OAVLDDINWCBNLY-UHFFFAOYSA-N 2 1 324.429 1.717 20 5 DDBDMP CC[NH+](C)CCNc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)CC)n1 ZINC000192287644 408568389 /nfs/dbraw/zinc/56/83/89/408568389.db2.gz OAVLDDINWCBNLY-UHFFFAOYSA-N 2 1 324.429 1.717 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085338 409860605 /nfs/dbraw/zinc/86/06/05/409860605.db2.gz SJXPOLMLWOOTEW-QWHCGFSZSA-N 2 1 318.377 1.465 20 5 DDBDMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085338 409860614 /nfs/dbraw/zinc/86/06/14/409860614.db2.gz SJXPOLMLWOOTEW-QWHCGFSZSA-N 2 1 318.377 1.465 20 5 DDBDMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000431032334 229000047 /nfs/dbraw/zinc/00/00/47/229000047.db2.gz BIYBOVAFTNMCCT-UHFFFAOYSA-N 2 1 318.377 1.609 20 5 DDBDMP C[NH2+]C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430951917 420221429 /nfs/dbraw/zinc/22/14/29/420221429.db2.gz NLYIQPYQZLHLRG-UHFFFAOYSA-N 2 1 306.366 1.607 20 5 DDBDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430967675 420228119 /nfs/dbraw/zinc/22/81/19/420228119.db2.gz UDUFBENVXWVGAC-SMDDNHRTSA-N 2 1 306.366 1.593 20 5 DDBDMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581731066 422036678 /nfs/dbraw/zinc/03/66/78/422036678.db2.gz JLBDRQLXECWRIV-INIZCTEOSA-N 2 1 323.393 1.408 20 5 DDBDMP Cc1nn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000779868149 698476885 /nfs/dbraw/zinc/47/68/85/698476885.db2.gz UHKBOYPRTOVWKG-AWEZNQCLSA-N 2 1 307.398 1.721 20 5 DDBDMP Cc1nn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000779868149 698476886 /nfs/dbraw/zinc/47/68/86/698476886.db2.gz UHKBOYPRTOVWKG-AWEZNQCLSA-N 2 1 307.398 1.721 20 5 DDBDMP Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000853774598 704314229 /nfs/dbraw/zinc/31/42/29/704314229.db2.gz UXCNSXFTPUHHKV-ZDUSSCGKSA-N 2 1 309.414 1.982 20 5 DDBDMP Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000853774598 704314232 /nfs/dbraw/zinc/31/42/32/704314232.db2.gz UXCNSXFTPUHHKV-ZDUSSCGKSA-N 2 1 309.414 1.982 20 5 DDBDMP C[N@H+]1CCCN(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000894375856 711093953 /nfs/dbraw/zinc/09/39/53/711093953.db2.gz OWBMAGMTXJRMNL-UHFFFAOYSA-N 2 1 320.437 1.755 20 5 DDBDMP C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)[C@H]1C[NH2+]CCO1 ZINC001170577366 768264486 /nfs/dbraw/zinc/26/44/86/768264486.db2.gz ZFFNTXJYUKMEBX-BDJLRTHQSA-N 2 1 320.393 1.372 20 5 DDBDMP C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)[C@H]1C[NH2+]CCO1 ZINC001170577366 768264489 /nfs/dbraw/zinc/26/44/89/768264489.db2.gz ZFFNTXJYUKMEBX-BDJLRTHQSA-N 2 1 320.393 1.372 20 5 DDBDMP CCOc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160513545 865899051 /nfs/dbraw/zinc/89/90/51/865899051.db2.gz PDAXZRBQDMYGIH-OAHLLOKOSA-N 2 1 321.381 1.224 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246554965 892693471 /nfs/dbraw/zinc/69/34/71/892693471.db2.gz AFPPLSKFIXMXIR-CZUORRHYSA-N 2 1 307.394 1.702 20 5 DDBDMP [NH3+]C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466677 896453076 /nfs/dbraw/zinc/45/30/76/896453076.db2.gz LDPKDJWUIWZNSF-INIZCTEOSA-N 2 1 304.394 1.987 20 5 DDBDMP [NH3+]C[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466677 896453079 /nfs/dbraw/zinc/45/30/79/896453079.db2.gz LDPKDJWUIWZNSF-INIZCTEOSA-N 2 1 304.394 1.987 20 5 DDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595890105 356693284 /nfs/dbraw/zinc/69/32/84/356693284.db2.gz BRITYIBWQPUIBG-CQSZACIVSA-N 2 1 305.378 1.590 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000602772617 359179243 /nfs/dbraw/zinc/17/92/43/359179243.db2.gz VLZBYPMXAKWJIK-UHFFFAOYSA-N 2 1 309.414 1.904 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000602772617 359179247 /nfs/dbraw/zinc/17/92/47/359179247.db2.gz VLZBYPMXAKWJIK-UHFFFAOYSA-N 2 1 309.414 1.904 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000336864785 249273053 /nfs/dbraw/zinc/27/30/53/249273053.db2.gz ARMYIPGXDLRVGJ-UHFFFAOYSA-N 2 1 323.393 1.933 20 5 DDBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351861986 410301621 /nfs/dbraw/zinc/30/16/21/410301621.db2.gz MUSIOBQQRLQKGG-VXGBXAGGSA-N 2 1 306.366 1.593 20 5 DDBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423012366 227311611 /nfs/dbraw/zinc/31/16/11/227311611.db2.gz KNGFLZCDTPYVFV-GVDBMIGSSA-N 2 1 319.405 1.884 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036908 419797264 /nfs/dbraw/zinc/79/72/64/419797264.db2.gz RXFMPHXYENDRFA-IUODEOHRSA-N 2 1 318.377 1.607 20 5 DDBDMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036908 419797268 /nfs/dbraw/zinc/79/72/68/419797268.db2.gz RXFMPHXYENDRFA-IUODEOHRSA-N 2 1 318.377 1.607 20 5 DDBDMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CN ZINC000420283566 420181341 /nfs/dbraw/zinc/18/13/41/420181341.db2.gz CDIYZEASHPRQLL-WFASDCNBSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000420283566 420181348 /nfs/dbraw/zinc/18/13/48/420181348.db2.gz CDIYZEASHPRQLL-WFASDCNBSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000420283566 420181352 /nfs/dbraw/zinc/18/13/52/420181352.db2.gz CDIYZEASHPRQLL-WFASDCNBSA-N 2 1 320.393 1.983 20 5 DDBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058495 420739614 /nfs/dbraw/zinc/73/96/14/420739614.db2.gz KNQLPRBTFXIEIB-ZDUSSCGKSA-N 2 1 320.393 1.903 20 5 DDBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058495 420739617 /nfs/dbraw/zinc/73/96/17/420739617.db2.gz KNQLPRBTFXIEIB-ZDUSSCGKSA-N 2 1 320.393 1.903 20 5 DDBDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017394 307114589 /nfs/dbraw/zinc/11/45/89/307114589.db2.gz OIDFLILIDQXYMR-UONOGXRCSA-N 2 1 307.398 1.913 20 5 DDBDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017394 307114590 /nfs/dbraw/zinc/11/45/90/307114590.db2.gz OIDFLILIDQXYMR-UONOGXRCSA-N 2 1 307.398 1.913 20 5 DDBDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017394 307114591 /nfs/dbraw/zinc/11/45/91/307114591.db2.gz OIDFLILIDQXYMR-UONOGXRCSA-N 2 1 307.398 1.913 20 5 DDBDMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017394 307114592 /nfs/dbraw/zinc/11/45/92/307114592.db2.gz OIDFLILIDQXYMR-UONOGXRCSA-N 2 1 307.398 1.913 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000853773388 704314133 /nfs/dbraw/zinc/31/41/33/704314133.db2.gz CGKDPBXEMFGVLF-LBPRGKRZSA-N 2 1 309.414 1.861 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000853773388 704314134 /nfs/dbraw/zinc/31/41/34/704314134.db2.gz CGKDPBXEMFGVLF-LBPRGKRZSA-N 2 1 309.414 1.861 20 5 DDBDMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000903813080 711288830 /nfs/dbraw/zinc/28/88/30/711288830.db2.gz YOGVGNFOWXDUAV-AWEZNQCLSA-N 2 1 307.398 1.775 20 5 DDBDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925381974 714836320 /nfs/dbraw/zinc/83/63/20/714836320.db2.gz GTAMVAONKBEAMM-OCZCAGDBSA-N 2 1 305.378 1.903 20 5 DDBDMP O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](C3CCC3)C2)nc1C1C[NH2+]C1 ZINC001161183385 860203222 /nfs/dbraw/zinc/20/32/22/860203222.db2.gz WWBBQJSTTADDQE-NSHDSACASA-N 2 1 318.381 1.110 20 5 DDBDMP C[C@H]1[C@H]([NH3+])CCCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001157747579 864100298 /nfs/dbraw/zinc/10/02/98/864100298.db2.gz UZYRYOBBGFYMPA-JHLBCPEASA-N 2 1 305.382 1.838 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3c[nH+]cn3C2)c1 ZINC001335889537 868598586 /nfs/dbraw/zinc/59/85/86/868598586.db2.gz FNXPQUZHJJAOFB-SWLSCSKDSA-N 2 1 302.334 1.429 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CC[C@H]3C[C@@]3([NH3+])C2)ncc1[N+](=O)[O-] ZINC001165328802 869520206 /nfs/dbraw/zinc/52/02/06/869520206.db2.gz ZOIBEOWLYZODIL-VAIBOMDZSA-N 2 1 303.366 1.450 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246594612 892718429 /nfs/dbraw/zinc/71/84/29/892718429.db2.gz KFIOQPSMWNEITA-AWEZNQCLSA-N 2 1 318.421 1.553 20 5 DDBDMP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000592471965 355592860 /nfs/dbraw/zinc/59/28/60/355592860.db2.gz ABLURGUUFRADHC-UHFFFAOYSA-N 2 1 319.365 1.073 20 5 DDBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000592471965 355592865 /nfs/dbraw/zinc/59/28/65/355592865.db2.gz ABLURGUUFRADHC-UHFFFAOYSA-N 2 1 319.365 1.073 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000593736106 355981167 /nfs/dbraw/zinc/98/11/67/355981167.db2.gz GIUBMONYPBBBLC-NFAWXSAZSA-N 2 1 323.397 1.010 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347202389 283206969 /nfs/dbraw/zinc/20/69/69/283206969.db2.gz KGMWFDRXFZDWMY-CQSZACIVSA-N 2 1 320.393 1.190 20 5 DDBDMP COCC[N@H+](C)CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601104428 358403738 /nfs/dbraw/zinc/40/37/38/358403738.db2.gz WWDZEUPYCPSULY-UHFFFAOYSA-N 2 1 318.377 1.945 20 5 DDBDMP COCC[N@@H+](C)CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601104428 358403741 /nfs/dbraw/zinc/40/37/41/358403741.db2.gz WWDZEUPYCPSULY-UHFFFAOYSA-N 2 1 318.377 1.945 20 5 DDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000566115249 304119967 /nfs/dbraw/zinc/11/99/67/304119967.db2.gz IHSSANDHDBUBME-RDBSUJKOSA-N 2 1 323.393 1.407 20 5 DDBDMP C[N@@H+](CCCn1ccnc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000124402325 407357445 /nfs/dbraw/zinc/35/74/45/407357445.db2.gz OFYPGUZKQQIRSM-UHFFFAOYSA-N 2 1 317.349 1.412 20 5 DDBDMP CN(CCCn1ccnc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000124402325 407357446 /nfs/dbraw/zinc/35/74/46/407357446.db2.gz OFYPGUZKQQIRSM-UHFFFAOYSA-N 2 1 317.349 1.412 20 5 DDBDMP C[N@H+]1CCC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579887 408022991 /nfs/dbraw/zinc/02/29/91/408022991.db2.gz IHEYZFTXTUANNS-UKRRQHHQSA-N 2 1 320.393 1.173 20 5 DDBDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579887 408022995 /nfs/dbraw/zinc/02/29/95/408022995.db2.gz IHEYZFTXTUANNS-UKRRQHHQSA-N 2 1 320.393 1.173 20 5 DDBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579887 408022999 /nfs/dbraw/zinc/02/29/99/408022999.db2.gz IHEYZFTXTUANNS-UKRRQHHQSA-N 2 1 320.393 1.173 20 5 DDBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579887 408023003 /nfs/dbraw/zinc/02/30/03/408023003.db2.gz IHEYZFTXTUANNS-UKRRQHHQSA-N 2 1 320.393 1.173 20 5 DDBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000245579887 408023009 /nfs/dbraw/zinc/02/30/09/408023009.db2.gz IHEYZFTXTUANNS-UKRRQHHQSA-N 2 1 320.393 1.173 20 5 DDBDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430967674 420228914 /nfs/dbraw/zinc/22/89/14/420228914.db2.gz UDUFBENVXWVGAC-RISCZKNCSA-N 2 1 306.366 1.593 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430946076 420219527 /nfs/dbraw/zinc/21/95/27/420219527.db2.gz YYXIOKUZANYTAX-JSGCOSHPSA-N 2 1 320.393 1.901 20 5 DDBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000866339880 706676679 /nfs/dbraw/zinc/67/66/79/706676679.db2.gz OFILACLTLGJKSE-NHYWBVRUSA-N 2 1 311.357 1.321 20 5 DDBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000866339880 706676680 /nfs/dbraw/zinc/67/66/80/706676680.db2.gz OFILACLTLGJKSE-NHYWBVRUSA-N 2 1 311.357 1.321 20 5 DDBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000846709025 703322197 /nfs/dbraw/zinc/32/21/97/703322197.db2.gz XWOTVLNTZIQZBE-QWRGUYRKSA-N 2 1 324.356 1.874 20 5 DDBDMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870879789 704155530 /nfs/dbraw/zinc/15/55/30/704155530.db2.gz NPWVVQCYXIOBLS-ZBFHGGJFSA-N 2 1 320.393 1.321 20 5 DDBDMP CN(C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000876805573 705884840 /nfs/dbraw/zinc/88/48/40/705884840.db2.gz DVDGWIJCFOYRMY-MRXNPFEDSA-N 2 1 320.393 1.321 20 5 DDBDMP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000899911161 709234978 /nfs/dbraw/zinc/23/49/78/709234978.db2.gz QRGDAMPUVFFQLL-OAHLLOKOSA-N 2 1 305.378 1.798 20 5 DDBDMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000899911161 709234979 /nfs/dbraw/zinc/23/49/79/709234979.db2.gz QRGDAMPUVFFQLL-OAHLLOKOSA-N 2 1 305.378 1.798 20 5 DDBDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001129526800 766916064 /nfs/dbraw/zinc/91/60/64/766916064.db2.gz SZBHXBOTSSODKN-UHFFFAOYSA-N 2 1 320.393 1.285 20 5 DDBDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001206481649 872368772 /nfs/dbraw/zinc/36/87/72/872368772.db2.gz WWLNBBAMJJAXJL-GOEBONIOSA-N 2 1 308.385 1.534 20 5 DDBDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@H]1O ZINC001206481649 872368789 /nfs/dbraw/zinc/36/87/89/872368789.db2.gz WWLNBBAMJJAXJL-GOEBONIOSA-N 2 1 308.385 1.534 20 5 DDBDMP CC[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001353273811 877223714 /nfs/dbraw/zinc/22/37/14/877223714.db2.gz QNFRCFDKJUXZPC-ZDUSSCGKSA-N 2 1 320.393 1.855 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001254558336 896501040 /nfs/dbraw/zinc/50/10/40/896501040.db2.gz FSMRHXREEQUEGL-HNNXBMFYSA-N 2 1 320.437 1.705 20 5 DDBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000592432154 355581658 /nfs/dbraw/zinc/58/16/58/355581658.db2.gz GKNPKCTXDUTKPH-GFCCVEGCSA-N 2 1 321.377 1.927 20 5 DDBDMP CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)CCC[NH+](C)C ZINC000596425907 356875034 /nfs/dbraw/zinc/87/50/34/356875034.db2.gz YKURABMFHGGRDB-UHFFFAOYSA-N 2 1 312.418 1.415 20 5 DDBDMP CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+](C)CCC[NH+](C)C ZINC000596425907 356875037 /nfs/dbraw/zinc/87/50/37/356875037.db2.gz YKURABMFHGGRDB-UHFFFAOYSA-N 2 1 312.418 1.415 20 5 DDBDMP O=[N+]([O-])c1ccc(CC[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000602552551 359041752 /nfs/dbraw/zinc/04/17/52/359041752.db2.gz UYLZHCDTGLFGOL-QGZVFWFLSA-N 2 1 321.421 1.964 20 5 DDBDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000114478672 407580385 /nfs/dbraw/zinc/58/03/85/407580385.db2.gz JRIXGMMSFXWKNJ-ZDUSSCGKSA-N 2 1 320.393 1.807 20 5 DDBDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000191504437 408437080 /nfs/dbraw/zinc/43/70/80/408437080.db2.gz OIEQJCOJPNVDAM-UHFFFAOYSA-N 2 1 320.397 1.962 20 5 DDBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000191504437 408437084 /nfs/dbraw/zinc/43/70/84/408437084.db2.gz OIEQJCOJPNVDAM-UHFFFAOYSA-N 2 1 320.397 1.962 20 5 DDBDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000430940744 420216912 /nfs/dbraw/zinc/21/69/12/420216912.db2.gz QVIWFIOZHAPQQT-VXGBXAGGSA-N 2 1 306.366 1.593 20 5 DDBDMP C[NH2+]CC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000430918621 420204047 /nfs/dbraw/zinc/20/40/47/420204047.db2.gz NLZVCSPKKKBCAG-UHFFFAOYSA-N 2 1 320.393 1.489 20 5 DDBDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420373417 420244300 /nfs/dbraw/zinc/24/43/00/420244300.db2.gz ZDTWQWJJFDYXQR-CYBMUJFWSA-N 2 1 308.382 1.886 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420378156 420248481 /nfs/dbraw/zinc/24/84/81/420248481.db2.gz WXEKLIDPMMSVTP-XHBSWPGZSA-N 2 1 320.393 1.900 20 5 DDBDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cccc([N+](=O)[O-])c2)C1 ZINC000779648749 698448228 /nfs/dbraw/zinc/44/82/28/698448228.db2.gz GGICMERNCUHXLV-AWEZNQCLSA-N 2 1 322.365 1.702 20 5 DDBDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cccc([N+](=O)[O-])c2)C1 ZINC000779648749 698448231 /nfs/dbraw/zinc/44/82/31/698448231.db2.gz GGICMERNCUHXLV-AWEZNQCLSA-N 2 1 322.365 1.702 20 5 DDBDMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818968384 704037687 /nfs/dbraw/zinc/03/76/87/704037687.db2.gz SEXAPIBDAFGLJA-OAHLLOKOSA-N 2 1 304.350 1.813 20 5 DDBDMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281111 714295829 /nfs/dbraw/zinc/29/58/29/714295829.db2.gz DTGMELIDBOCADU-DZGCQCFKSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281111 714295833 /nfs/dbraw/zinc/29/58/33/714295833.db2.gz DTGMELIDBOCADU-DZGCQCFKSA-N 2 1 323.393 1.266 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330996 714317585 /nfs/dbraw/zinc/31/75/85/714317585.db2.gz FFFHOWRLNVERBK-BBRMVZONSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330996 714317586 /nfs/dbraw/zinc/31/75/86/714317586.db2.gz FFFHOWRLNVERBK-BBRMVZONSA-N 2 1 321.377 1.020 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001161873049 867056192 /nfs/dbraw/zinc/05/61/92/867056192.db2.gz UFLIZHNEBMHKIK-UHFFFAOYSA-N 2 1 316.365 1.373 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001336016245 868680158 /nfs/dbraw/zinc/68/01/58/868680158.db2.gz DNWZGBSQDVQGAH-IUODEOHRSA-N 2 1 302.334 1.429 20 5 DDBDMP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246205869 892481239 /nfs/dbraw/zinc/48/12/39/892481239.db2.gz ABUBQKCAZWFEHW-AVGNSLFASA-N 2 1 315.414 1.471 20 5 DDBDMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600731472 358299490 /nfs/dbraw/zinc/29/94/90/358299490.db2.gz SCUKVXVVSBQPRR-LBPRGKRZSA-N 2 1 324.381 1.090 20 5 DDBDMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000600731472 358299492 /nfs/dbraw/zinc/29/94/92/358299492.db2.gz SCUKVXVVSBQPRR-LBPRGKRZSA-N 2 1 324.381 1.090 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000602782545 359187217 /nfs/dbraw/zinc/18/72/17/359187217.db2.gz CSJMQSHSYFHWGH-ZIAGYGMSSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000602782545 359187220 /nfs/dbraw/zinc/18/72/20/359187220.db2.gz CSJMQSHSYFHWGH-ZIAGYGMSSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000602782545 359187222 /nfs/dbraw/zinc/18/72/22/359187222.db2.gz CSJMQSHSYFHWGH-ZIAGYGMSSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000602782545 359187224 /nfs/dbraw/zinc/18/72/24/359187224.db2.gz CSJMQSHSYFHWGH-ZIAGYGMSSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567042635 304194183 /nfs/dbraw/zinc/19/41/83/304194183.db2.gz PAZNFFIBOWHOIZ-CYBMUJFWSA-N 2 1 320.349 1.129 20 5 DDBDMP Cc1c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000262413562 407827535 /nfs/dbraw/zinc/82/75/35/407827535.db2.gz DHNXBKRFLPOGSN-HNNXBMFYSA-N 2 1 304.394 1.383 20 5 DDBDMP Cn1cc[nH+]c1CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176233675 408317947 /nfs/dbraw/zinc/31/79/47/408317947.db2.gz MBJCIABMMSMAFB-UHFFFAOYSA-N 2 1 318.381 1.480 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000359884508 410934524 /nfs/dbraw/zinc/93/45/24/410934524.db2.gz WNXJSVILLBKUPY-HNNXBMFYSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+](C)[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000359884508 410934528 /nfs/dbraw/zinc/93/45/28/410934528.db2.gz WNXJSVILLBKUPY-HNNXBMFYSA-N 2 1 320.393 1.901 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)nc1 ZINC000420308543 420196527 /nfs/dbraw/zinc/19/65/27/420196527.db2.gz CUOUJDGEUJPWEE-QWHCGFSZSA-N 2 1 305.382 1.476 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430955628 420221934 /nfs/dbraw/zinc/22/19/34/420221934.db2.gz MCHQAZPYKWFYPB-WCQYABFASA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058083 420740838 /nfs/dbraw/zinc/74/08/38/420740838.db2.gz JBRPLIPMNVTHFZ-CYBMUJFWSA-N 2 1 320.393 1.903 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261848856 698441159 /nfs/dbraw/zinc/44/11/59/698441159.db2.gz RJKNAOGYQWZXKU-MRXNPFEDSA-N 2 1 320.393 1.903 20 5 DDBDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1[NH3+] ZINC000843353689 702865000 /nfs/dbraw/zinc/86/50/00/702865000.db2.gz MXRDREDUEFAZAB-MFKMUULPSA-N 2 1 324.356 1.732 20 5 DDBDMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870879788 704155455 /nfs/dbraw/zinc/15/54/55/704155455.db2.gz NPWVVQCYXIOBLS-HOCLYGCPSA-N 2 1 320.393 1.321 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000876935838 705930082 /nfs/dbraw/zinc/93/00/82/705930082.db2.gz RSPZKJAHXJSICT-BBNOBNGHSA-N 2 1 305.382 1.711 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)c1 ZINC000876935838 705930084 /nfs/dbraw/zinc/93/00/84/705930084.db2.gz RSPZKJAHXJSICT-BBNOBNGHSA-N 2 1 305.382 1.711 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001173234050 777065245 /nfs/dbraw/zinc/06/52/45/777065245.db2.gz OYZLGNAIVSHZSO-OAHLLOKOSA-N 2 1 320.437 1.705 20 5 DDBDMP C[N@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001156385638 862996853 /nfs/dbraw/zinc/99/68/53/862996853.db2.gz IBEIJBQOQLRXHB-LLVKDONJSA-N 2 1 320.397 1.215 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CC[N@@H+]3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001158432321 864652566 /nfs/dbraw/zinc/65/25/66/864652566.db2.gz JMNFRUIWKJPLIC-MASHWEEQSA-N 2 1 303.366 1.416 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CC[N@H+]3CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001158432321 864652572 /nfs/dbraw/zinc/65/25/72/864652572.db2.gz JMNFRUIWKJPLIC-MASHWEEQSA-N 2 1 303.366 1.416 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](CCO)CC1 ZINC001254539550 896494429 /nfs/dbraw/zinc/49/44/29/896494429.db2.gz IMFXHWQCFLFZKP-ZDUSSCGKSA-N 2 1 307.394 1.572 20 5 DDBDMP C[N@@H+]1CCC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552602 185302987 /nfs/dbraw/zinc/30/29/87/185302987.db2.gz IHEYZFTXTUANNS-ZFWWWQNUSA-N 2 1 320.393 1.173 20 5 DDBDMP C[N@H+]1CCC[C@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552602 185302988 /nfs/dbraw/zinc/30/29/88/185302988.db2.gz IHEYZFTXTUANNS-ZFWWWQNUSA-N 2 1 320.393 1.173 20 5 DDBDMP C[NH+]1CCC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552602 185302989 /nfs/dbraw/zinc/30/29/89/185302989.db2.gz IHEYZFTXTUANNS-ZFWWWQNUSA-N 2 1 320.393 1.173 20 5 DDBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000090552602 185302990 /nfs/dbraw/zinc/30/29/90/185302990.db2.gz IHEYZFTXTUANNS-ZFWWWQNUSA-N 2 1 320.393 1.173 20 5 DDBDMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591278501 355276932 /nfs/dbraw/zinc/27/69/32/355276932.db2.gz IYIWBAWDINYWCG-RYUDHWBXSA-N 2 1 307.350 1.726 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC[NH3+] ZINC000592473780 355593010 /nfs/dbraw/zinc/59/30/10/355593010.db2.gz OPPBUAKZJMXVOX-UHFFFAOYSA-N 2 1 310.354 1.213 20 5 DDBDMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000430936689 420214271 /nfs/dbraw/zinc/21/42/71/420214271.db2.gz VVDRNYGXCQOBPM-GFCCVEGCSA-N 2 1 320.393 1.617 20 5 DDBDMP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348987 420227460 /nfs/dbraw/zinc/22/74/60/420227460.db2.gz NMAKDKWFYSAILZ-GFCCVEGCSA-N 2 1 308.357 1.213 20 5 DDBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348987 420227463 /nfs/dbraw/zinc/22/74/63/420227463.db2.gz NMAKDKWFYSAILZ-GFCCVEGCSA-N 2 1 308.357 1.213 20 5 DDBDMP CN(C)c1[nH+]cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)n1C ZINC000822481209 704957496 /nfs/dbraw/zinc/95/74/96/704957496.db2.gz MNUGKWATKFBRLR-UHFFFAOYSA-N 2 1 318.381 1.360 20 5 DDBDMP O=[N+]([O-])c1ncccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000886841462 708859491 /nfs/dbraw/zinc/85/94/91/708859491.db2.gz LZMBQHXOGYGZLQ-HNNXBMFYSA-N 2 1 320.393 1.580 20 5 DDBDMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000903445371 711129153 /nfs/dbraw/zinc/12/91/53/711129153.db2.gz JHTWEGXRXSBLSJ-YNEHKIRRSA-N 2 1 305.382 1.603 20 5 DDBDMP O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923370248 714331055 /nfs/dbraw/zinc/33/10/55/714331055.db2.gz TZSWYTDVSJSOBZ-OAHLLOKOSA-N 2 1 317.389 1.938 20 5 DDBDMP O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923370248 714331058 /nfs/dbraw/zinc/33/10/58/714331058.db2.gz TZSWYTDVSJSOBZ-OAHLLOKOSA-N 2 1 317.389 1.938 20 5 DDBDMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001267116565 837381588 /nfs/dbraw/zinc/38/15/88/837381588.db2.gz DMGSMHCZOXLOOP-UHFFFAOYSA-N 2 1 322.409 1.483 20 5 DDBDMP O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246632798 892753333 /nfs/dbraw/zinc/75/33/33/892753333.db2.gz ADPZEVJLHGAXPG-IAGOWNOFSA-N 2 1 316.405 2.000 20 5 DDBDMP O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246632798 892753338 /nfs/dbraw/zinc/75/33/38/892753338.db2.gz ADPZEVJLHGAXPG-IAGOWNOFSA-N 2 1 316.405 2.000 20 5 DDBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351847721 410284621 /nfs/dbraw/zinc/28/46/21/410284621.db2.gz BCAGRGVBRNLTPK-VXGBXAGGSA-N 2 1 306.366 1.593 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359308991 410596924 /nfs/dbraw/zinc/59/69/24/410596924.db2.gz OSVPQFNWOGKSNK-BETUJISGSA-N 2 1 318.377 1.383 20 5 DDBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065776 420742037 /nfs/dbraw/zinc/74/20/37/420742037.db2.gz CRPMLZFNSRDGPR-OLZOCXBDSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443078021 420743306 /nfs/dbraw/zinc/74/33/06/420743306.db2.gz VVVDAVACYRRMRL-OLZOCXBDSA-N 2 1 320.393 1.983 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000262145414 698456417 /nfs/dbraw/zinc/45/64/17/698456417.db2.gz QKYHVAALNGIAOA-CYBMUJFWSA-N 2 1 324.812 1.728 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000262145414 698456419 /nfs/dbraw/zinc/45/64/19/698456419.db2.gz QKYHVAALNGIAOA-CYBMUJFWSA-N 2 1 324.812 1.728 20 5 DDBDMP COc1c(O)ccc(CNC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000892946995 710530195 /nfs/dbraw/zinc/53/01/95/710530195.db2.gz WAVMPJARLWECHD-NSHDSACASA-N 2 1 309.366 1.740 20 5 DDBDMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000903964304 711349696 /nfs/dbraw/zinc/34/96/96/711349696.db2.gz ISFNGEVDXDECGI-PWSUYJOCSA-N 2 1 307.350 1.311 20 5 DDBDMP C[C@H]1[C@@H]([NH3+])CCCN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001157747577 864099865 /nfs/dbraw/zinc/09/98/65/864099865.db2.gz UZYRYOBBGFYMPA-FPUUUQIFSA-N 2 1 305.382 1.838 20 5 DDBDMP [NH3+]C[C@]1(Nc2cc([N+](=O)[O-])cc(Cl)n2)C[NH+]2CCC1CC2 ZINC001160508718 865888974 /nfs/dbraw/zinc/88/89/74/865888974.db2.gz JHQBKFYSRYZHHW-ZDUSSCGKSA-N 2 1 311.773 1.478 20 5 DDBDMP COc1c(O)ccc(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001207724261 873506552 /nfs/dbraw/zinc/50/65/52/873506552.db2.gz VUQJJKQSPJXKFQ-ZDUSSCGKSA-N 2 1 321.377 1.740 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246559071 892697354 /nfs/dbraw/zinc/69/73/54/892697354.db2.gz NFEMFNYYOHHEDD-BBRMVZONSA-N 2 1 307.394 1.702 20 5 DDBDMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247698397 893301179 /nfs/dbraw/zinc/30/11/79/893301179.db2.gz GRJXQBHAZOSXGM-MRVPVSSYSA-N 2 1 310.289 1.308 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602829546 359221541 /nfs/dbraw/zinc/22/15/41/359221541.db2.gz LMOZDJXJHPNZPX-PBWFPOADSA-N 2 1 307.398 1.657 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602829546 359221556 /nfs/dbraw/zinc/22/15/56/359221556.db2.gz LMOZDJXJHPNZPX-PBWFPOADSA-N 2 1 307.398 1.657 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602829546 359221560 /nfs/dbraw/zinc/22/15/60/359221560.db2.gz LMOZDJXJHPNZPX-PBWFPOADSA-N 2 1 307.398 1.657 20 5 DDBDMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154254654 408002642 /nfs/dbraw/zinc/00/26/42/408002642.db2.gz GSVGOAPKFCQTPI-LSDHHAIUSA-N 2 1 307.394 1.428 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289375225 409256842 /nfs/dbraw/zinc/25/68/42/409256842.db2.gz BSFDQNHTOCTOFF-UHFFFAOYSA-N 2 1 320.437 1.973 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351848658 410285756 /nfs/dbraw/zinc/28/57/56/410285756.db2.gz DSQAZABOSAZWKU-OLZOCXBDSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430549972 420134637 /nfs/dbraw/zinc/13/46/37/420134637.db2.gz FICNBZVOWATSDY-INIZCTEOSA-N 2 1 320.393 1.949 20 5 DDBDMP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348990 275039479 /nfs/dbraw/zinc/03/94/79/275039479.db2.gz NMAKDKWFYSAILZ-LBPRGKRZSA-N 2 1 308.357 1.213 20 5 DDBDMP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348990 275039480 /nfs/dbraw/zinc/03/94/80/275039480.db2.gz NMAKDKWFYSAILZ-LBPRGKRZSA-N 2 1 308.357 1.213 20 5 DDBDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cccc([N+](=O)[O-])c2)C1 ZINC000779648750 698448158 /nfs/dbraw/zinc/44/81/58/698448158.db2.gz GGICMERNCUHXLV-CQSZACIVSA-N 2 1 322.365 1.702 20 5 DDBDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cccc([N+](=O)[O-])c2)C1 ZINC000779648750 698448160 /nfs/dbraw/zinc/44/81/60/698448160.db2.gz GGICMERNCUHXLV-CQSZACIVSA-N 2 1 322.365 1.702 20 5 DDBDMP COCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818974930 704039627 /nfs/dbraw/zinc/03/96/27/704039627.db2.gz ICUFDBVSYKDCOW-INIZCTEOSA-N 2 1 323.393 1.329 20 5 DDBDMP C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCN1c1cc[nH+]cc1 ZINC000880263332 706925356 /nfs/dbraw/zinc/92/53/56/706925356.db2.gz WUZOKPGCOBETAL-CYBMUJFWSA-N 2 1 316.365 1.397 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923332688 714317959 /nfs/dbraw/zinc/31/79/59/714317959.db2.gz MCTBJKBPKNDNIE-GOEBONIOSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923332688 714317962 /nfs/dbraw/zinc/31/79/62/714317962.db2.gz MCTBJKBPKNDNIE-GOEBONIOSA-N 2 1 321.377 1.020 20 5 DDBDMP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000923379848 714334878 /nfs/dbraw/zinc/33/48/78/714334878.db2.gz ABGFVIVNJNLOMI-TWJWRFFLSA-N 2 1 307.394 1.933 20 5 DDBDMP O=C(CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000923517223 714387292 /nfs/dbraw/zinc/38/72/92/714387292.db2.gz BCFGPIDIADLZSP-QWHCGFSZSA-N 2 1 318.377 1.465 20 5 DDBDMP Cc1c(C)c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160514179 865900436 /nfs/dbraw/zinc/90/04/36/865900436.db2.gz UQGBYJBQJNVRGJ-HNNXBMFYSA-N 2 1 305.382 1.442 20 5 DDBDMP C[N@@H+]1CC=C(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC001335441872 868299033 /nfs/dbraw/zinc/29/90/33/868299033.db2.gz SUBCVPZJDHUBAK-OAHLLOKOSA-N 2 1 321.377 1.186 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CC([NH3+])C1 ZINC000420330621 420215245 /nfs/dbraw/zinc/21/52/45/420215245.db2.gz LJENYVGGMHGRQY-UHFFFAOYSA-N 2 1 306.366 1.653 20 5 DDBDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000420383080 420250864 /nfs/dbraw/zinc/25/08/64/420250864.db2.gz BGDBFWLMQSQMEP-UHFFFAOYSA-N 2 1 324.381 1.473 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000442767108 420711695 /nfs/dbraw/zinc/71/16/95/420711695.db2.gz MBTKIHXGUKKKBQ-AAEUAGOBSA-N 2 1 320.393 1.901 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccnc2[N+](=O)[O-])C1 ZINC000886841647 708859423 /nfs/dbraw/zinc/85/94/23/708859423.db2.gz RLAJDBNPGDCLFN-KFWWJZLASA-N 2 1 320.393 1.851 20 5 DDBDMP C[N@@H+](CCO)CCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172906306 776917112 /nfs/dbraw/zinc/91/71/12/776917112.db2.gz NXMNGBRYGRMOCH-MRXNPFEDSA-N 2 1 321.421 1.746 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC001118568458 781161504 /nfs/dbraw/zinc/16/15/04/781161504.db2.gz AUZKHDOSMSVKAN-OAHLLOKOSA-N 2 1 303.362 1.474 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC001118568458 781161509 /nfs/dbraw/zinc/16/15/09/781161509.db2.gz AUZKHDOSMSVKAN-OAHLLOKOSA-N 2 1 303.362 1.474 20 5 DDBDMP CN(CCC[NH+](C)C)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001163598509 868558175 /nfs/dbraw/zinc/55/81/75/868558175.db2.gz XCOKSJWINHRLEC-JXMROGBWSA-N 2 1 307.398 1.910 20 5 DDBDMP [NH3+][C@@H]1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246563181 892700369 /nfs/dbraw/zinc/70/03/69/892700369.db2.gz CHTQXJDSPVFGIP-FVQBIDKESA-N 2 1 305.378 1.236 20 5 DDBDMP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246662023 892774357 /nfs/dbraw/zinc/77/43/57/892774357.db2.gz VDVFBMISEKRBKS-SUMWQHHRSA-N 2 1 316.405 1.987 20 5 DDBDMP [NH3+][C@@]12C[C@@H]1CC[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246662023 892774365 /nfs/dbraw/zinc/77/43/65/892774365.db2.gz VDVFBMISEKRBKS-SUMWQHHRSA-N 2 1 316.405 1.987 20 5 DDBDMP [NH3+]C[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246908112 892982951 /nfs/dbraw/zinc/98/29/51/892982951.db2.gz LDPKDJWUIWZNSF-MRXNPFEDSA-N 2 1 304.394 1.987 20 5 DDBDMP [NH3+]C[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246908112 892982962 /nfs/dbraw/zinc/98/29/62/892982962.db2.gz LDPKDJWUIWZNSF-MRXNPFEDSA-N 2 1 304.394 1.987 20 5 DDBDMP COCCC1([NH3+])CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254585277 896515721 /nfs/dbraw/zinc/51/57/21/896515721.db2.gz DBDWQPJZHZQKGM-MRXNPFEDSA-N 2 1 319.405 1.892 20 5 DDBDMP COc1cc(N2CCC([NH2+]C(C)(C)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256086374 897277453 /nfs/dbraw/zinc/27/74/53/897277453.db2.gz WEINFJAGIIBZPB-UHFFFAOYSA-N 2 1 322.409 1.899 20 5 DDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358257074 299108658 /nfs/dbraw/zinc/10/86/58/299108658.db2.gz TXTMOXWINZNAPN-CJNGLKHVSA-N 2 1 307.394 1.572 20 5 DDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358257074 299108662 /nfs/dbraw/zinc/10/86/62/299108662.db2.gz TXTMOXWINZNAPN-CJNGLKHVSA-N 2 1 307.394 1.572 20 5 DDBDMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000592489469 355598141 /nfs/dbraw/zinc/59/81/41/355598141.db2.gz VZXGULYJPXEOMU-IUODEOHRSA-N 2 1 320.393 1.983 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000597237347 357105833 /nfs/dbraw/zinc/10/58/33/357105833.db2.gz YQOUVODOQYQXHR-QGZVFWFLSA-N 2 1 319.405 1.934 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000602782540 359187689 /nfs/dbraw/zinc/18/76/89/359187689.db2.gz CSJMQSHSYFHWGH-KBPBESRZSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000602782540 359187697 /nfs/dbraw/zinc/18/76/97/359187697.db2.gz CSJMQSHSYFHWGH-KBPBESRZSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000602782540 359187703 /nfs/dbraw/zinc/18/77/03/359187703.db2.gz CSJMQSHSYFHWGH-KBPBESRZSA-N 2 1 307.398 1.516 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000602782540 359187707 /nfs/dbraw/zinc/18/77/07/359187707.db2.gz CSJMQSHSYFHWGH-KBPBESRZSA-N 2 1 307.398 1.516 20 5 DDBDMP COc1ccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351501993 284349052 /nfs/dbraw/zinc/34/90/52/284349052.db2.gz YQKLZXUMUABKEY-YUTCNCBUSA-N 2 1 321.377 1.651 20 5 DDBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229576 419990614 /nfs/dbraw/zinc/99/06/14/419990614.db2.gz BOQYPDNMVQMQED-DGCLKSJQSA-N 2 1 306.366 1.654 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420310076 420199271 /nfs/dbraw/zinc/19/92/71/420199271.db2.gz LZZJSIOANACRHG-CQSZACIVSA-N 2 1 320.393 1.997 20 5 DDBDMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000519643598 421712985 /nfs/dbraw/zinc/71/29/85/421712985.db2.gz WSUGYLISVYPOJL-CHWSQXEVSA-N 2 1 320.393 1.996 20 5 DDBDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765848608 701028786 /nfs/dbraw/zinc/02/87/86/701028786.db2.gz IOYQJDQNPCRNFM-MRXNPFEDSA-N 2 1 323.393 1.329 20 5 DDBDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]CC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000899869891 709222256 /nfs/dbraw/zinc/22/22/56/709222256.db2.gz JKECPSNXNUPIHT-OKILXGFUSA-N 2 1 307.394 1.662 20 5 DDBDMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000902445241 710756926 /nfs/dbraw/zinc/75/69/26/710756926.db2.gz PJBGZRKUVNAJFD-AVGNSLFASA-N 2 1 307.398 1.863 20 5 DDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903757301 711270004 /nfs/dbraw/zinc/27/00/04/711270004.db2.gz BVUIICPYZPHSRV-DOTOQJQBSA-N 2 1 319.405 1.838 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482446 714108221 /nfs/dbraw/zinc/10/82/21/714108221.db2.gz UPSOZQYDUAMOHB-UHFFFAOYSA-N 2 1 323.393 1.492 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001173221631 777054092 /nfs/dbraw/zinc/05/40/92/777054092.db2.gz OENSAIYDLBKBPL-GUYCJALGSA-N 2 1 318.421 1.539 20 5 DDBDMP [NH3+]C[C@@]1(Nc2cc(Cl)cc([N+](=O)[O-])n2)C[NH+]2CCC1CC2 ZINC001160512177 865894820 /nfs/dbraw/zinc/89/48/20/865894820.db2.gz SZXKPTIGOCSTGC-CYBMUJFWSA-N 2 1 311.773 1.478 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@@H]3[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001165396252 869566486 /nfs/dbraw/zinc/56/64/86/869566486.db2.gz ZKDHVQWAIVMKLF-COWJPUMTSA-N 2 1 303.366 1.463 20 5 DDBDMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489676 355598540 /nfs/dbraw/zinc/59/85/40/355598540.db2.gz ZMKOUBPUZMGZFT-CHWSQXEVSA-N 2 1 320.393 1.983 20 5 DDBDMP C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(C)(C)[NH3+] ZINC000595899976 356696762 /nfs/dbraw/zinc/69/67/62/356696762.db2.gz XCLODMDKTMZRQS-UHFFFAOYSA-N 2 1 322.365 1.562 20 5 DDBDMP C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(C)(C)[NH3+] ZINC000595899976 356696765 /nfs/dbraw/zinc/69/67/65/356696765.db2.gz XCLODMDKTMZRQS-UHFFFAOYSA-N 2 1 322.365 1.562 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000176251060 408323906 /nfs/dbraw/zinc/32/39/06/408323906.db2.gz FSIUFZWNAWCIEG-AWEZNQCLSA-N 2 1 307.398 1.742 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000176251060 408323910 /nfs/dbraw/zinc/32/39/10/408323910.db2.gz FSIUFZWNAWCIEG-AWEZNQCLSA-N 2 1 307.398 1.742 20 5 DDBDMP Cn1cc(C[NH+]2CCC([NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435386317 229380559 /nfs/dbraw/zinc/38/05/59/229380559.db2.gz UGRTXFJZXPYHGU-UHFFFAOYSA-N 2 1 315.377 1.918 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430633677 420164267 /nfs/dbraw/zinc/16/42/67/420164267.db2.gz AJPQLPDSMDZYHE-ZDUSSCGKSA-N 2 1 320.393 1.903 20 5 DDBDMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430639440 420166174 /nfs/dbraw/zinc/16/61/74/420166174.db2.gz FMTKPYOTNCNWKN-LBPRGKRZSA-N 2 1 306.366 1.594 20 5 DDBDMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420284744 420182365 /nfs/dbraw/zinc/18/23/65/420182365.db2.gz DKDNCDAXAHYFIY-HNNXBMFYSA-N 2 1 306.366 1.640 20 5 DDBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443078024 420742814 /nfs/dbraw/zinc/74/28/14/420742814.db2.gz VVVDAVACYRRMRL-STQMWFEESA-N 2 1 320.393 1.983 20 5 DDBDMP C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562986130 303906631 /nfs/dbraw/zinc/90/66/31/303906631.db2.gz ONVSIHSAZNZSIS-ZDUSSCGKSA-N 2 1 309.366 1.018 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246544779 892689541 /nfs/dbraw/zinc/68/95/41/892689541.db2.gz SURXWCAZKCOYSV-CZUORRHYSA-N 2 1 307.394 1.702 20 5 DDBDMP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000591278622 355277061 /nfs/dbraw/zinc/27/70/61/355277061.db2.gz ZEVPLCUQOZOTNW-LBPRGKRZSA-N 2 1 309.366 1.844 20 5 DDBDMP COc1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000601327567 358499460 /nfs/dbraw/zinc/49/94/60/358499460.db2.gz WUYMWVZXQWPGRZ-VXGBXAGGSA-N 2 1 309.366 1.509 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)[NH3+] ZINC000595903361 356698734 /nfs/dbraw/zinc/69/87/34/356698734.db2.gz VNDVWOUEZBGWFL-UHFFFAOYSA-N 2 1 324.381 1.601 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+] ZINC000595903361 356698738 /nfs/dbraw/zinc/69/87/38/356698738.db2.gz VNDVWOUEZBGWFL-UHFFFAOYSA-N 2 1 324.381 1.601 20 5 DDBDMP CCC[NH+]1CCC([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602777681 359183510 /nfs/dbraw/zinc/18/35/10/359183510.db2.gz KBTWSZGYZSZRBS-UHFFFAOYSA-N 2 1 309.414 1.906 20 5 DDBDMP CCC[NH+]1CCC([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602777681 359183514 /nfs/dbraw/zinc/18/35/14/359183514.db2.gz KBTWSZGYZSZRBS-UHFFFAOYSA-N 2 1 309.414 1.906 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000602796687 359197222 /nfs/dbraw/zinc/19/72/22/359197222.db2.gz RQBIHTCYCTVGNH-GFCCVEGCSA-N 2 1 304.354 1.323 20 5 DDBDMP CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000178863948 407629444 /nfs/dbraw/zinc/62/94/44/407629444.db2.gz DEWIOKVQXNOGIW-BBRMVZONSA-N 2 1 307.394 1.902 20 5 DDBDMP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1 ZINC000178863948 407629449 /nfs/dbraw/zinc/62/94/49/407629449.db2.gz DEWIOKVQXNOGIW-BBRMVZONSA-N 2 1 307.394 1.902 20 5 DDBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1 ZINC000178863948 407629453 /nfs/dbraw/zinc/62/94/53/407629453.db2.gz DEWIOKVQXNOGIW-BBRMVZONSA-N 2 1 307.394 1.902 20 5 DDBDMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193636009 163261094 /nfs/dbraw/zinc/26/10/94/163261094.db2.gz KHJPYDFBUZTWHT-BETUJISGSA-N 2 1 318.377 1.417 20 5 DDBDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193636009 163261098 /nfs/dbraw/zinc/26/10/98/163261098.db2.gz KHJPYDFBUZTWHT-BETUJISGSA-N 2 1 318.377 1.417 20 5 DDBDMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000193636009 163261101 /nfs/dbraw/zinc/26/11/01/163261101.db2.gz KHJPYDFBUZTWHT-BETUJISGSA-N 2 1 318.377 1.417 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853572 410290623 /nfs/dbraw/zinc/29/06/23/410290623.db2.gz PBSGWOHMXQKQCC-STQMWFEESA-N 2 1 320.393 1.901 20 5 DDBDMP COc1ccc(OCC[N@H+](C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430624478 420163085 /nfs/dbraw/zinc/16/30/85/420163085.db2.gz IUNOOUGEIPVYQZ-UHFFFAOYSA-N 2 1 309.366 1.666 20 5 DDBDMP COc1ccc(OCC[N@@H+](C)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000430624478 420163086 /nfs/dbraw/zinc/16/30/86/420163086.db2.gz IUNOOUGEIPVYQZ-UHFFFAOYSA-N 2 1 309.366 1.666 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430955385 420221984 /nfs/dbraw/zinc/22/19/84/420221984.db2.gz MCHQAZPYKWFYPB-AAEUAGOBSA-N 2 1 320.393 1.901 20 5 DDBDMP C[N@H+](C[C@H](O)C[NH2+]CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120569875 782028224 /nfs/dbraw/zinc/02/82/24/782028224.db2.gz LGYHYTVYHLCQGT-CYBMUJFWSA-N 2 1 308.382 1.051 20 5 DDBDMP C[N@@H+](C[C@H](O)C[NH2+]CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC001120569875 782028229 /nfs/dbraw/zinc/02/82/29/782028229.db2.gz LGYHYTVYHLCQGT-CYBMUJFWSA-N 2 1 308.382 1.051 20 5 DDBDMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000902445243 710756766 /nfs/dbraw/zinc/75/67/66/710756766.db2.gz PJBGZRKUVNAJFD-UPJWGTAASA-N 2 1 307.398 1.863 20 5 DDBDMP Cc1nc(Cl)c([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157094737 863571270 /nfs/dbraw/zinc/57/12/70/863571270.db2.gz VGCYKTFUTSDUGE-UHFFFAOYSA-N 2 1 301.738 1.022 20 5 DDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[NH2+]CC34CC4)CC2)cc1 ZINC001246132839 892427152 /nfs/dbraw/zinc/42/71/52/892427152.db2.gz MNLZPOYISFYGIS-INIZCTEOSA-N 2 1 316.405 1.905 20 5 DDBDMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246539091 892685823 /nfs/dbraw/zinc/68/58/23/892685823.db2.gz ARMZSUUNGGEQMV-JKSUJKDBSA-N 2 1 305.378 1.238 20 5 DDBDMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1[N+](=O)[O-] ZINC000358504827 299176513 /nfs/dbraw/zinc/17/65/13/299176513.db2.gz IPJIHHPLHNYBJK-UHFFFAOYSA-N 2 1 318.377 1.609 20 5 DDBDMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1[N+](=O)[O-] ZINC000358504827 299176517 /nfs/dbraw/zinc/17/65/17/299176517.db2.gz IPJIHHPLHNYBJK-UHFFFAOYSA-N 2 1 318.377 1.609 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593731297 355978763 /nfs/dbraw/zinc/97/87/63/355978763.db2.gz WAPBNWLFXWTZQP-MCIONIFRSA-N 2 1 323.397 1.152 20 5 DDBDMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682019 357685223 /nfs/dbraw/zinc/68/52/23/357685223.db2.gz KPQHPYXTMBVGDN-MLGOLLRUSA-N 2 1 318.377 1.737 20 5 DDBDMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682019 357685226 /nfs/dbraw/zinc/68/52/26/357685226.db2.gz KPQHPYXTMBVGDN-MLGOLLRUSA-N 2 1 318.377 1.737 20 5 DDBDMP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430799 359635651 /nfs/dbraw/zinc/63/56/51/359635651.db2.gz VAIXNJCVJXTNOS-BFHYXJOUSA-N 2 1 323.397 1.189 20 5 DDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430940275 420215656 /nfs/dbraw/zinc/21/56/56/420215656.db2.gz OEYZVWSEALHJLF-CYBMUJFWSA-N 2 1 320.393 1.773 20 5 DDBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430629055 420165681 /nfs/dbraw/zinc/16/56/81/420165681.db2.gz PLDQEIPQVLYTMX-LLVKDONJSA-N 2 1 324.356 1.021 20 5 DDBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000430629055 420165685 /nfs/dbraw/zinc/16/56/85/420165685.db2.gz PLDQEIPQVLYTMX-LLVKDONJSA-N 2 1 324.356 1.021 20 5 DDBDMP O=[N+]([O-])c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415059250 275035716 /nfs/dbraw/zinc/03/57/16/275035716.db2.gz UVVWFTTXYYYPGB-UHFFFAOYSA-N 2 1 318.421 1.901 20 5 DDBDMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843381310 702870566 /nfs/dbraw/zinc/87/05/66/702870566.db2.gz COWGVPXZSHIONC-HNNXBMFYSA-N 2 1 324.356 1.733 20 5 DDBDMP C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000819221256 704089110 /nfs/dbraw/zinc/08/91/10/704089110.db2.gz WIAPYHXUMKBUGZ-LRDDRELGSA-N 2 1 305.378 1.868 20 5 DDBDMP C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000819220985 704089136 /nfs/dbraw/zinc/08/91/36/704089136.db2.gz VJGDTGRUIASYLJ-MLGOLLRUSA-N 2 1 305.378 1.868 20 5 DDBDMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722622 711254482 /nfs/dbraw/zinc/25/44/82/711254482.db2.gz BTPFANLQTVYTRB-ZBFHGGJFSA-N 2 1 305.378 1.795 20 5 DDBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722622 711254486 /nfs/dbraw/zinc/25/44/86/711254486.db2.gz BTPFANLQTVYTRB-ZBFHGGJFSA-N 2 1 305.378 1.795 20 5 DDBDMP C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000923336025 714319630 /nfs/dbraw/zinc/31/96/30/714319630.db2.gz UAYDNAZLCAQQLT-DZGCQCFKSA-N 2 1 323.393 1.408 20 5 DDBDMP C[C@H](C[N+](C)(C)C)OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224960976 881610649 /nfs/dbraw/zinc/61/06/49/881610649.db2.gz JHZZWUFKHMWSLX-SJLPKXTDSA-N 2 1 307.458 1.999 20 5 DDBDMP C[C@H](C[N+](C)(C)C)OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224960976 881610662 /nfs/dbraw/zinc/61/06/62/881610662.db2.gz JHZZWUFKHMWSLX-SJLPKXTDSA-N 2 1 307.458 1.999 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165147384 869408491 /nfs/dbraw/zinc/40/84/91/869408491.db2.gz FKAQKHXNOFFWIL-CTXXGXLOSA-N 2 1 317.393 1.520 20 5 DDBDMP CN(CCC[NH+](C)C)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001341359275 871620278 /nfs/dbraw/zinc/62/02/78/871620278.db2.gz LCZFQUMMRCLNQI-OAHLLOKOSA-N 2 1 308.382 1.179 20 5 DDBDMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001356570546 879104405 /nfs/dbraw/zinc/10/44/05/879104405.db2.gz MQJJLYASOSONOP-KGLIPLIRSA-N 2 1 323.393 1.266 20 5 DDBDMP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246205868 892481317 /nfs/dbraw/zinc/48/13/17/892481317.db2.gz ABUBQKCAZWFEHW-AGIUHOORSA-N 2 1 315.414 1.471 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001254550970 896498485 /nfs/dbraw/zinc/49/84/85/896498485.db2.gz UMJFZDSOSTYONC-OAHLLOKOSA-N 2 1 320.437 1.705 20 5 DDBDMP COc1ccc(NC(=O)CC[N@@H+](C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000592473642 355592808 /nfs/dbraw/zinc/59/28/08/355592808.db2.gz LBSGHQSMTMURQO-UHFFFAOYSA-N 2 1 310.354 1.213 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000596360489 356863684 /nfs/dbraw/zinc/86/36/84/356863684.db2.gz MGMXFMNTLXQOAQ-JTQLQIEISA-N 2 1 301.416 1.735 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])s1 ZINC000596360489 356863687 /nfs/dbraw/zinc/86/36/87/356863687.db2.gz MGMXFMNTLXQOAQ-JTQLQIEISA-N 2 1 301.416 1.735 20 5 DDBDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCn1cc([N+](=O)[O-])cn1 ZINC000603113182 359410218 /nfs/dbraw/zinc/41/02/18/359410218.db2.gz ZBCPCKOTHLCITI-UHFFFAOYSA-N 2 1 309.414 1.989 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])n1 ZINC000603429046 359635027 /nfs/dbraw/zinc/63/50/27/359635027.db2.gz LIJUMOIRINNHBR-ZDUSSCGKSA-N 2 1 307.398 1.540 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000134893625 162090929 /nfs/dbraw/zinc/09/09/29/162090929.db2.gz IPUKQCNMPHFQGS-HIFRSBDPSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000134893625 162090932 /nfs/dbraw/zinc/09/09/32/162090932.db2.gz IPUKQCNMPHFQGS-HIFRSBDPSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000134893625 162090935 /nfs/dbraw/zinc/09/09/35/162090935.db2.gz IPUKQCNMPHFQGS-HIFRSBDPSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000134893625 162090938 /nfs/dbraw/zinc/09/09/38/162090938.db2.gz IPUKQCNMPHFQGS-HIFRSBDPSA-N 2 1 319.409 1.740 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077263 409847060 /nfs/dbraw/zinc/84/70/60/409847060.db2.gz AKNZDINNJOZDCO-STQMWFEESA-N 2 1 318.377 1.465 20 5 DDBDMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000357077263 409847067 /nfs/dbraw/zinc/84/70/67/409847067.db2.gz AKNZDINNJOZDCO-STQMWFEESA-N 2 1 318.377 1.465 20 5 DDBDMP C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000580114546 422891424 /nfs/dbraw/zinc/89/14/24/422891424.db2.gz ZUGSGVGIXRIJQM-AWEZNQCLSA-N 2 1 309.366 1.018 20 5 DDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414981199 419903075 /nfs/dbraw/zinc/90/30/75/419903075.db2.gz XKFSDMNBLANJGQ-DZGCQCFKSA-N 2 1 306.410 1.409 20 5 DDBDMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430921131 420206477 /nfs/dbraw/zinc/20/64/77/420206477.db2.gz XDKWZGBCBCWHOF-NEPJUHHUSA-N 2 1 320.393 1.981 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430660343 420174811 /nfs/dbraw/zinc/17/48/11/420174811.db2.gz CUXPHEDPWAOQKH-LBPRGKRZSA-N 2 1 309.366 1.653 20 5 DDBDMP COc1ccc(OCC[N@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430660343 420174816 /nfs/dbraw/zinc/17/48/16/420174816.db2.gz CUXPHEDPWAOQKH-LBPRGKRZSA-N 2 1 309.366 1.653 20 5 DDBDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420360304 420234865 /nfs/dbraw/zinc/23/48/65/420234865.db2.gz LACLCCRHBGYHNP-CYBMUJFWSA-N 2 1 308.382 1.886 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000818945632 704031528 /nfs/dbraw/zinc/03/15/28/704031528.db2.gz MRTZXUVISOYHOA-MRXNPFEDSA-N 2 1 305.378 1.845 20 5 DDBDMP Cn1ccnc1[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000873249699 707784120 /nfs/dbraw/zinc/78/41/20/707784120.db2.gz MUGHOABSVOTZIO-LNSITVRQSA-N 2 1 315.377 1.745 20 5 DDBDMP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000902445239 710756675 /nfs/dbraw/zinc/75/66/75/710756675.db2.gz PJBGZRKUVNAJFD-AGIUHOORSA-N 2 1 307.398 1.863 20 5 DDBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1 ZINC000902466843 710762691 /nfs/dbraw/zinc/76/26/91/710762691.db2.gz NOAIUIDKPKGYHQ-MBJXGIAVSA-N 2 1 305.382 1.758 20 5 DDBDMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722621 711254354 /nfs/dbraw/zinc/25/43/54/711254354.db2.gz BTPFANLQTVYTRB-HOCLYGCPSA-N 2 1 305.378 1.795 20 5 DDBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903722621 711254357 /nfs/dbraw/zinc/25/43/57/711254357.db2.gz BTPFANLQTVYTRB-HOCLYGCPSA-N 2 1 305.378 1.795 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903882375 711315377 /nfs/dbraw/zinc/31/53/77/711315377.db2.gz NCGKOILCVDQXEO-WMLDXEAASA-N 2 1 317.389 1.722 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903882375 711315380 /nfs/dbraw/zinc/31/53/80/711315380.db2.gz NCGKOILCVDQXEO-WMLDXEAASA-N 2 1 317.389 1.722 20 5 DDBDMP C[NH+](C)CC1(O)CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000931485774 714108815 /nfs/dbraw/zinc/10/88/15/714108815.db2.gz DPZDGWSPQUJHSL-UHFFFAOYSA-N 2 1 311.357 1.622 20 5 DDBDMP C[C@@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)n1 ZINC001169234355 762293151 /nfs/dbraw/zinc/29/31/51/762293151.db2.gz HPXICHIDRHPOPW-SNVBAGLBSA-N 2 1 301.350 1.788 20 5 DDBDMP C[C@@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)n1 ZINC001169234355 762293154 /nfs/dbraw/zinc/29/31/54/762293154.db2.gz HPXICHIDRHPOPW-SNVBAGLBSA-N 2 1 301.350 1.788 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@](F)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001157816760 864168090 /nfs/dbraw/zinc/16/80/90/864168090.db2.gz GJGFHTSFZOAYNB-LYKUJDHUSA-N 2 1 309.345 1.399 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H]1CO)CC2 ZINC001246305835 892528525 /nfs/dbraw/zinc/52/85/25/892528525.db2.gz JSKFINLCYZSRJU-IIAWOOMASA-N 2 1 305.378 1.012 20 5 DDBDMP CCO[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593737024 355981975 /nfs/dbraw/zinc/98/19/75/355981975.db2.gz JMHFRRXSTBTMRX-IUODEOHRSA-N 2 1 309.366 1.269 20 5 DDBDMP CCO[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593737024 355981979 /nfs/dbraw/zinc/98/19/79/355981979.db2.gz JMHFRRXSTBTMRX-IUODEOHRSA-N 2 1 309.366 1.269 20 5 DDBDMP COc1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000351501988 284349325 /nfs/dbraw/zinc/34/93/25/284349325.db2.gz YQKLZXUMUABKEY-IACUBPJLSA-N 2 1 321.377 1.651 20 5 DDBDMP C[N@H+]1CCN(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1(C)C ZINC000282369882 409042109 /nfs/dbraw/zinc/04/21/09/409042109.db2.gz NUHZKJGLCSWRAT-UHFFFAOYSA-N 2 1 312.439 1.772 20 5 DDBDMP Cn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435393498 229380324 /nfs/dbraw/zinc/38/03/24/229380324.db2.gz GEMMPRQJSGIZDN-GFCCVEGCSA-N 2 1 315.377 1.776 20 5 DDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430934693 420213612 /nfs/dbraw/zinc/21/36/12/420213612.db2.gz QLSGWTAZUQJVGN-GFCCVEGCSA-N 2 1 306.366 1.465 20 5 DDBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430944807 420217571 /nfs/dbraw/zinc/21/75/71/420217571.db2.gz OBEBBAGNJMAEPX-GFCCVEGCSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000574921997 422218606 /nfs/dbraw/zinc/21/86/06/422218606.db2.gz YZMJQRINSMSZTN-UHFFFAOYSA-N 2 1 320.393 1.903 20 5 DDBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[NH3+])CC1 ZINC000575755697 422321450 /nfs/dbraw/zinc/32/14/50/422321450.db2.gz WHUMTICJMDKWHN-LBPRGKRZSA-N 2 1 320.393 1.983 20 5 DDBDMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000315587258 271013763 /nfs/dbraw/zinc/01/37/63/271013763.db2.gz LTHHIFIHFMFGOI-UHFFFAOYSA-N 2 1 306.366 1.594 20 5 DDBDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397318190 302353366 /nfs/dbraw/zinc/35/33/66/302353366.db2.gz MCIQNUJOSRLGSM-JTNHKYCSSA-N 2 1 320.393 1.499 20 5 DDBDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397318190 302353367 /nfs/dbraw/zinc/35/33/67/302353367.db2.gz MCIQNUJOSRLGSM-JTNHKYCSSA-N 2 1 320.393 1.499 20 5 DDBDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567345834 308078452 /nfs/dbraw/zinc/07/84/52/308078452.db2.gz VTVMCALZTVGXPL-NFAWXSAZSA-N 2 1 323.393 1.407 20 5 DDBDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818981754 704041924 /nfs/dbraw/zinc/04/19/24/704041924.db2.gz YFTGFRGSOQYMPU-XJKSGUPXSA-N 2 1 307.394 1.950 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)c1 ZINC000876930256 705928845 /nfs/dbraw/zinc/92/88/45/705928845.db2.gz UPOAZEQOUPRXCS-LKSINWNRSA-N 2 1 305.382 1.569 20 5 DDBDMP Cc1c(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873042452 707705271 /nfs/dbraw/zinc/70/52/71/707705271.db2.gz ODLCSWZYHAFQND-UHFFFAOYSA-N 2 1 320.393 1.157 20 5 DDBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000904404928 711853543 /nfs/dbraw/zinc/85/35/43/711853543.db2.gz BJJSQXSJNKMFRV-LLVKDONJSA-N 2 1 307.350 1.537 20 5 DDBDMP C[N@H+]1CCN(CCC[NH2+]CC[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000905033717 711914351 /nfs/dbraw/zinc/91/43/51/711914351.db2.gz HFRFKCXLWIYIIY-INIZCTEOSA-N 2 1 306.410 1.232 20 5 DDBDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176972337 778358566 /nfs/dbraw/zinc/35/85/66/778358566.db2.gz WYTIVWBGCGRSBY-UHFFFAOYSA-N 2 1 322.409 1.531 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001161867182 867043933 /nfs/dbraw/zinc/04/39/33/867043933.db2.gz DKCHLRJKEKRBGR-UHFFFAOYSA-N 2 1 315.377 1.978 20 5 DDBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001334748329 867810306 /nfs/dbraw/zinc/81/03/06/867810306.db2.gz OSEVXSJYWMIWHO-IHRRRGAJSA-N 2 1 307.398 1.719 20 5 DDBDMP C[NH+](C)/C=C\c1cc(N2CC[N@@H+]3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165198351 869422760 /nfs/dbraw/zinc/42/27/60/869422760.db2.gz JMNFRUIWKJPLIC-DXTPNHAXSA-N 2 1 303.366 1.416 20 5 DDBDMP C[NH+](C)/C=C\c1cc(N2CC[N@H+]3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165198351 869422765 /nfs/dbraw/zinc/42/27/65/869422765.db2.gz JMNFRUIWKJPLIC-DXTPNHAXSA-N 2 1 303.366 1.416 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[NH2+]C[C@@H]1CO)CC2 ZINC001246305832 892530467 /nfs/dbraw/zinc/53/04/67/892530467.db2.gz JSKFINLCYZSRJU-FMKPAKJESA-N 2 1 305.378 1.012 20 5 DDBDMP [NH3+]C[C@@]1(O)CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246539088 892685629 /nfs/dbraw/zinc/68/56/29/892685629.db2.gz ARMZSUUNGGEQMV-HZPDHXFCSA-N 2 1 305.378 1.238 20 5 DDBDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000266884582 282303238 /nfs/dbraw/zinc/30/32/38/282303238.db2.gz PUTASQRFCPEKRI-CYBMUJFWSA-N 2 1 320.393 1.410 20 5 DDBDMP C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989707 359342352 /nfs/dbraw/zinc/34/23/52/359342352.db2.gz ZZPDNXDYWNKYMS-CYBMUJFWSA-N 2 1 320.393 1.362 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422720926 533222437 /nfs/dbraw/zinc/22/24/37/533222437.db2.gz UFTMFVYNVCUXSD-LEWSCRJBSA-N 2 1 309.366 1.445 20 5 DDBDMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000360565414 418465775 /nfs/dbraw/zinc/46/57/75/418465775.db2.gz UPUUXUSCHQASPG-INIZCTEOSA-N 2 1 318.377 1.609 20 5 DDBDMP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430639057 420166539 /nfs/dbraw/zinc/16/65/39/420166539.db2.gz HDPPIRUZPXGQPD-GFCCVEGCSA-N 2 1 320.393 1.901 20 5 DDBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442795758 420716862 /nfs/dbraw/zinc/71/68/62/420716862.db2.gz VJWZDSJLGQXCTP-VXGBXAGGSA-N 2 1 306.366 1.593 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886839777 708858835 /nfs/dbraw/zinc/85/88/35/708858835.db2.gz LVBXBWGPVGWLNV-YUELXQCFSA-N 2 1 320.393 1.708 20 5 DDBDMP C[NH+]1CCC(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000894836782 711291352 /nfs/dbraw/zinc/29/13/52/711291352.db2.gz QMGFZKITBIRMTR-UHFFFAOYSA-N 2 1 305.378 2.000 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000923331530 714317662 /nfs/dbraw/zinc/31/76/62/714317662.db2.gz MPXAETBJTBJMEA-OAHLLOKOSA-N 2 1 305.378 1.704 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)ncc1[N+](=O)[O-] ZINC001162798737 867832010 /nfs/dbraw/zinc/83/20/10/867832010.db2.gz UMYKEWIYQUZRII-VQQHFMJTSA-N 2 1 315.377 1.708 20 5 DDBDMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591278496 355277069 /nfs/dbraw/zinc/27/70/69/355277069.db2.gz IYIWBAWDINYWCG-NEPJUHHUSA-N 2 1 307.350 1.726 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593731294 355979036 /nfs/dbraw/zinc/97/90/36/355979036.db2.gz WAPBNWLFXWTZQP-HZSPNIEDSA-N 2 1 323.397 1.152 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC000596363616 356864148 /nfs/dbraw/zinc/86/41/48/356864148.db2.gz SWBLQAMFNOTGMI-NSHDSACASA-N 2 1 313.377 1.813 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1F ZINC000596363616 356864153 /nfs/dbraw/zinc/86/41/53/356864153.db2.gz SWBLQAMFNOTGMI-NSHDSACASA-N 2 1 313.377 1.813 20 5 DDBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000344855574 409533546 /nfs/dbraw/zinc/53/35/46/409533546.db2.gz GJJFEKCRZUZRGL-OIQJVACTSA-N 2 1 307.394 1.900 20 5 DDBDMP COCC[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360254758 411114711 /nfs/dbraw/zinc/11/47/11/411114711.db2.gz XQLNQRJHSVPBLR-UHFFFAOYSA-N 2 1 307.394 1.838 20 5 DDBDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430573986 420142591 /nfs/dbraw/zinc/14/25/91/420142591.db2.gz RRAIQXGFJNZFBM-QWHCGFSZSA-N 2 1 320.393 1.983 20 5 DDBDMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000443058511 420740386 /nfs/dbraw/zinc/74/03/86/420740386.db2.gz KQLRRFBRQJOOMO-CYBMUJFWSA-N 2 1 320.393 1.984 20 5 DDBDMP C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562986129 421435775 /nfs/dbraw/zinc/43/57/75/421435775.db2.gz ONVSIHSAZNZSIS-CYBMUJFWSA-N 2 1 309.366 1.018 20 5 DDBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577689 271125973 /nfs/dbraw/zinc/12/59/73/271125973.db2.gz RYVFUWJXDHBKGM-ZIAGYGMSSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577689 271125975 /nfs/dbraw/zinc/12/59/75/271125975.db2.gz RYVFUWJXDHBKGM-ZIAGYGMSSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577689 271125977 /nfs/dbraw/zinc/12/59/77/271125977.db2.gz RYVFUWJXDHBKGM-ZIAGYGMSSA-N 2 1 322.409 1.561 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000341577689 271125981 /nfs/dbraw/zinc/12/59/81/271125981.db2.gz RYVFUWJXDHBKGM-ZIAGYGMSSA-N 2 1 322.409 1.561 20 5 DDBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000866339882 706676706 /nfs/dbraw/zinc/67/67/06/706676706.db2.gz OFILACLTLGJKSE-XHDPSFHLSA-N 2 1 311.357 1.321 20 5 DDBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000866339882 706676708 /nfs/dbraw/zinc/67/67/08/706676708.db2.gz OFILACLTLGJKSE-XHDPSFHLSA-N 2 1 311.357 1.321 20 5 DDBDMP C[NH+](C)C1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC000870852471 704145258 /nfs/dbraw/zinc/14/52/58/704145258.db2.gz GHZQWNMKQMVEFF-MRXNPFEDSA-N 2 1 320.393 1.321 20 5 DDBDMP CC[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCC1 ZINC000876927280 705927160 /nfs/dbraw/zinc/92/71/60/705927160.db2.gz XSOKRSIZYIKNNY-MOKVOYLWSA-N 2 1 307.398 1.959 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000876939558 705931036 /nfs/dbraw/zinc/93/10/36/705931036.db2.gz HNYFZIZGPYOROO-RJZJGCCBSA-N 2 1 305.382 1.711 20 5 DDBDMP COCCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000873225018 707775461 /nfs/dbraw/zinc/77/54/61/707775461.db2.gz QJWMNOGWJLFUCJ-UHFFFAOYSA-N 2 1 323.393 1.852 20 5 DDBDMP Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000902484523 710768193 /nfs/dbraw/zinc/76/81/93/710768193.db2.gz FVQHJENOJQNLRI-WHOFXGATSA-N 2 1 315.377 1.745 20 5 DDBDMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000931433151 714096525 /nfs/dbraw/zinc/09/65/25/714096525.db2.gz QJSNWSSRKBQFRQ-UONOGXRCSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000931433151 714096527 /nfs/dbraw/zinc/09/65/27/714096527.db2.gz QJSNWSSRKBQFRQ-UONOGXRCSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000931433151 714096529 /nfs/dbraw/zinc/09/65/29/714096529.db2.gz QJSNWSSRKBQFRQ-UONOGXRCSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000931433151 714096530 /nfs/dbraw/zinc/09/65/30/714096530.db2.gz QJSNWSSRKBQFRQ-UONOGXRCSA-N 2 1 305.378 1.987 20 5 DDBDMP C[C@@H](OCC[N+](C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224772686 881528910 /nfs/dbraw/zinc/52/89/10/881528910.db2.gz BPFBQZSDQDQDDC-SJLPKXTDSA-N 2 1 307.458 1.999 20 5 DDBDMP C[C@@H](OCC[N+](C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224772686 881528912 /nfs/dbraw/zinc/52/89/12/881528912.db2.gz BPFBQZSDQDQDDC-SJLPKXTDSA-N 2 1 307.458 1.999 20 5 DDBDMP [NH3+][C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465849 896454057 /nfs/dbraw/zinc/45/40/57/896454057.db2.gz NLAKOBHVRNZBHZ-CYBMUJFWSA-N 2 1 304.394 1.987 20 5 DDBDMP [NH3+][C@@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465849 896454066 /nfs/dbraw/zinc/45/40/66/896454066.db2.gz NLAKOBHVRNZBHZ-CYBMUJFWSA-N 2 1 304.394 1.987 20 5 DDBDMP Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599176773 357840295 /nfs/dbraw/zinc/84/02/95/357840295.db2.gz XMDSSYMDQMDURJ-CYBMUJFWSA-N 2 1 316.361 1.352 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOCC[NH3+] ZINC000600733581 358300044 /nfs/dbraw/zinc/30/00/44/358300044.db2.gz AGCSKLBQFPDTEA-UHFFFAOYSA-N 2 1 324.381 1.139 20 5 DDBDMP C[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602500739 359015131 /nfs/dbraw/zinc/01/51/31/359015131.db2.gz AFICKTCPQIJJJF-UHFFFAOYSA-N 2 1 319.409 1.642 20 5 DDBDMP COc1ccc(OCC[NH2+][C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000420356301 420232849 /nfs/dbraw/zinc/23/28/49/420232849.db2.gz GAGPKJQBAVOEBT-CQSZACIVSA-N 2 1 311.382 1.945 20 5 DDBDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017396 307114514 /nfs/dbraw/zinc/11/45/14/307114514.db2.gz OIDFLILIDQXYMR-ZIAGYGMSSA-N 2 1 307.398 1.913 20 5 DDBDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017396 307114515 /nfs/dbraw/zinc/11/45/15/307114515.db2.gz OIDFLILIDQXYMR-ZIAGYGMSSA-N 2 1 307.398 1.913 20 5 DDBDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017396 307114516 /nfs/dbraw/zinc/11/45/16/307114516.db2.gz OIDFLILIDQXYMR-ZIAGYGMSSA-N 2 1 307.398 1.913 20 5 DDBDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017396 307114517 /nfs/dbraw/zinc/11/45/17/307114517.db2.gz OIDFLILIDQXYMR-ZIAGYGMSSA-N 2 1 307.398 1.913 20 5 DDBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000838986836 708010716 /nfs/dbraw/zinc/01/07/16/708010716.db2.gz OKDBGXNQESYXNZ-INIZCTEOSA-N 2 1 305.378 1.845 20 5 DDBDMP C[NH+]1CCC(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000892079312 710367680 /nfs/dbraw/zinc/36/76/80/710367680.db2.gz ZPFVUZIOCZGKDK-CQSZACIVSA-N 2 1 319.409 1.818 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370498 714331118 /nfs/dbraw/zinc/33/11/18/714331118.db2.gz PHLSTBNHCOKJCQ-ZNEHSRBWSA-N 2 1 323.393 1.311 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000923498883 714379568 /nfs/dbraw/zinc/37/95/68/714379568.db2.gz QPEOPEIICGMLAT-CHWSQXEVSA-N 2 1 323.393 1.899 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CC[N@@H+]3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001158432319 864652817 /nfs/dbraw/zinc/65/28/17/864652817.db2.gz JMNFRUIWKJPLIC-LQPUYASZSA-N 2 1 303.366 1.416 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CC[N@H+]3CC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001158432319 864652823 /nfs/dbraw/zinc/65/28/23/864652823.db2.gz JMNFRUIWKJPLIC-LQPUYASZSA-N 2 1 303.366 1.416 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001161867994 867046446 /nfs/dbraw/zinc/04/64/46/867046446.db2.gz ZQJMDDCPEALRFG-UHFFFAOYSA-N 2 1 315.377 1.978 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165147388 869407839 /nfs/dbraw/zinc/40/78/39/869407839.db2.gz FKAQKHXNOFFWIL-TWRSITDPSA-N 2 1 317.393 1.520 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165147388 869407849 /nfs/dbraw/zinc/40/78/49/869407849.db2.gz FKAQKHXNOFFWIL-TWRSITDPSA-N 2 1 317.393 1.520 20 5 DDBDMP Cc1c(NC(=O)CC[NH2+][C@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000430579010 420144872 /nfs/dbraw/zinc/14/48/72/420144872.db2.gz PZFQLSYTTNJQDS-MRXNPFEDSA-N 2 1 320.393 1.949 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000262145416 698456373 /nfs/dbraw/zinc/45/63/73/698456373.db2.gz QKYHVAALNGIAOA-ZDUSSCGKSA-N 2 1 324.812 1.728 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000262145416 698456376 /nfs/dbraw/zinc/45/63/76/698456376.db2.gz QKYHVAALNGIAOA-ZDUSSCGKSA-N 2 1 324.812 1.728 20 5 DDBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000866339877 706676729 /nfs/dbraw/zinc/67/67/29/706676729.db2.gz OFILACLTLGJKSE-ABAIWWIYSA-N 2 1 311.357 1.321 20 5 DDBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000866339877 706676731 /nfs/dbraw/zinc/67/67/31/706676731.db2.gz OFILACLTLGJKSE-ABAIWWIYSA-N 2 1 311.357 1.321 20 5 DDBDMP [NH3+]CCCCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000846220818 703252649 /nfs/dbraw/zinc/25/26/49/703252649.db2.gz VKXWJWMWOSZWQI-ZDUSSCGKSA-N 2 1 307.398 1.995 20 5 DDBDMP C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000819220983 704089152 /nfs/dbraw/zinc/08/91/52/704089152.db2.gz VJGDTGRUIASYLJ-BLLLJJGKSA-N 2 1 305.378 1.868 20 5 DDBDMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870928360 704172093 /nfs/dbraw/zinc/17/20/93/704172093.db2.gz FEHZBXCNWLIDLK-LRDDRELGSA-N 2 1 320.393 1.179 20 5 DDBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886839775 708858613 /nfs/dbraw/zinc/85/86/13/708858613.db2.gz LVBXBWGPVGWLNV-CFVMTHIKSA-N 2 1 320.393 1.708 20 5 DDBDMP COc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000904406424 711853655 /nfs/dbraw/zinc/85/36/55/711853655.db2.gz SRZZLCMKEVIXHI-NSHDSACASA-N 2 1 309.366 1.783 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000905705711 712125893 /nfs/dbraw/zinc/12/58/93/712125893.db2.gz LFYPADGAWXFGGA-UHFFFAOYSA-N 2 1 315.377 1.978 20 5 DDBDMP C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2)[C@@H]1C[NH2+]CCO1 ZINC001170577367 768264070 /nfs/dbraw/zinc/26/40/70/768264070.db2.gz ZFFNTXJYUKMEBX-BZNIZROVSA-N 2 1 320.393 1.372 20 5 DDBDMP C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2)[C@@H]1C[NH2+]CCO1 ZINC001170577367 768264075 /nfs/dbraw/zinc/26/40/75/768264075.db2.gz ZFFNTXJYUKMEBX-BZNIZROVSA-N 2 1 320.393 1.372 20 5 DDBDMP CN(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001357242083 879875012 /nfs/dbraw/zinc/87/50/12/879875012.db2.gz LCWWDTNASGXJFY-RRFJBIMHSA-N 2 1 307.394 1.947 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246554486 892691772 /nfs/dbraw/zinc/69/17/72/892691772.db2.gz VGOOJWIYEIHNLR-CJNGLKHVSA-N 2 1 307.394 1.702 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246929205 892996950 /nfs/dbraw/zinc/99/69/50/892996950.db2.gz CQDUFQYKPZINTD-JKIFEVAISA-N 2 1 301.390 1.993 20 5 DDBDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000114199430 407551066 /nfs/dbraw/zinc/55/10/66/407551066.db2.gz ZAYUULVCSNUWAN-ZDUSSCGKSA-N 2 1 320.393 1.807 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC000178982773 407682907 /nfs/dbraw/zinc/68/29/07/407682907.db2.gz QITSNOSDUZQUIZ-ZDUSSCGKSA-N 2 1 305.382 1.476 20 5 DDBDMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423519522 420069170 /nfs/dbraw/zinc/06/91/70/420069170.db2.gz PEAOBJCEIYVZSO-HZPDHXFCSA-N 2 1 318.421 1.409 20 5 DDBDMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423519524 420069601 /nfs/dbraw/zinc/06/96/01/420069601.db2.gz PEAOBJCEIYVZSO-JKSUJKDBSA-N 2 1 318.421 1.409 20 5 DDBDMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420416773 420273557 /nfs/dbraw/zinc/27/35/57/420273557.db2.gz VVOOFOBBHJZKJN-CHWSQXEVSA-N 2 1 320.393 1.840 20 5 DDBDMP O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262414062 698468608 /nfs/dbraw/zinc/46/86/08/698468608.db2.gz DKEACYLNWJADAP-CQSZACIVSA-N 2 1 324.812 1.728 20 5 DDBDMP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262414062 698468610 /nfs/dbraw/zinc/46/86/10/698468610.db2.gz DKEACYLNWJADAP-CQSZACIVSA-N 2 1 324.812 1.728 20 5 DDBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262534282 698473379 /nfs/dbraw/zinc/47/33/79/698473379.db2.gz QAUGDRVPDOWLRX-UONOGXRCSA-N 2 1 304.394 1.635 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000818963295 704035880 /nfs/dbraw/zinc/03/58/80/704035880.db2.gz NTSXJOWQFLYJAS-OFQRWUPVSA-N 2 1 305.378 1.845 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000818963295 704035883 /nfs/dbraw/zinc/03/58/83/704035883.db2.gz NTSXJOWQFLYJAS-OFQRWUPVSA-N 2 1 305.378 1.845 20 5 DDBDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000872152002 707305079 /nfs/dbraw/zinc/30/50/79/707305079.db2.gz JILVYCIPKZGAEC-BLLLJJGKSA-N 2 1 318.377 1.465 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903739895 711262791 /nfs/dbraw/zinc/26/27/91/711262791.db2.gz AXMSJKFAXPKWHH-UONOGXRCSA-N 2 1 319.409 1.866 20 5 DDBDMP COc1c([O-])c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000904420169 711855529 /nfs/dbraw/zinc/85/55/29/711855529.db2.gz FHJRIZKADHDCBB-CMPLNLGQSA-N 2 1 307.350 1.350 20 5 DDBDMP CN(C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931277557 714055046 /nfs/dbraw/zinc/05/50/46/714055046.db2.gz LJTHJWLNFSXCDL-ATCWAGBWSA-N 2 1 318.377 1.415 20 5 DDBDMP CN(C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931277557 714055048 /nfs/dbraw/zinc/05/50/48/714055048.db2.gz LJTHJWLNFSXCDL-ATCWAGBWSA-N 2 1 318.377 1.415 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923359610 714327217 /nfs/dbraw/zinc/32/72/17/714327217.db2.gz SZFDNPSZHFTCGR-BFHYXJOUSA-N 2 1 321.377 1.018 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923359610 714327221 /nfs/dbraw/zinc/32/72/21/714327221.db2.gz SZFDNPSZHFTCGR-BFHYXJOUSA-N 2 1 321.377 1.018 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246616684 892737412 /nfs/dbraw/zinc/73/74/12/892737412.db2.gz CRRBIFUQMQNCCO-COXVUDFISA-N 2 1 318.421 1.552 20 5 DDBDMP C[N@H+]1CCCN(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254576556 896510912 /nfs/dbraw/zinc/51/09/12/896510912.db2.gz XJAKMNKPKJHTOU-INIZCTEOSA-N 2 1 318.421 1.289 20 5 DDBDMP O=[N+]([O-])c1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594503156 356238853 /nfs/dbraw/zinc/23/88/53/356238853.db2.gz UQBMHUMJRHQABX-KRWDZBQOSA-N 2 1 319.405 1.980 20 5 DDBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596108934 356775106 /nfs/dbraw/zinc/77/51/06/356775106.db2.gz QOFABQBAZVRNBW-OPGSHWCFSA-N 2 1 318.377 1.654 20 5 DDBDMP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000071150858 406833464 /nfs/dbraw/zinc/83/34/64/406833464.db2.gz VRCWHPYYVYSQIC-UHFFFAOYSA-N 2 1 312.801 1.585 20 5 DDBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000071150858 406833469 /nfs/dbraw/zinc/83/34/69/406833469.db2.gz VRCWHPYYVYSQIC-UHFFFAOYSA-N 2 1 312.801 1.585 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262151678 407755264 /nfs/dbraw/zinc/75/52/64/407755264.db2.gz RHRIKHXUXMMEHZ-INIZCTEOSA-N 2 1 304.394 1.383 20 5 DDBDMP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154254542 408002129 /nfs/dbraw/zinc/00/21/29/408002129.db2.gz GSVGOAPKFCQTPI-HUUCEWRRSA-N 2 1 307.394 1.428 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351853570 410288461 /nfs/dbraw/zinc/28/84/61/410288461.db2.gz PBSGWOHMXQKQCC-OLZOCXBDSA-N 2 1 320.393 1.901 20 5 DDBDMP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000420312957 420200651 /nfs/dbraw/zinc/20/06/51/420200651.db2.gz JHWRWCLHTCGQOY-AWEZNQCLSA-N 2 1 306.366 1.593 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1 ZINC000420312957 420200653 /nfs/dbraw/zinc/20/06/53/420200653.db2.gz JHWRWCLHTCGQOY-AWEZNQCLSA-N 2 1 306.366 1.593 20 5 DDBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430603101 420153364 /nfs/dbraw/zinc/15/33/64/420153364.db2.gz JAQSDIDZBPSUOJ-UHFFFAOYSA-N 2 1 306.366 1.512 20 5 DDBDMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000554635244 421656777 /nfs/dbraw/zinc/65/67/77/421656777.db2.gz BYNNLWXHQNUHEG-OAHLLOKOSA-N 2 1 323.393 1.408 20 5 DDBDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017392 307114415 /nfs/dbraw/zinc/11/44/15/307114415.db2.gz OIDFLILIDQXYMR-KGLIPLIRSA-N 2 1 307.398 1.913 20 5 DDBDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017392 307114416 /nfs/dbraw/zinc/11/44/16/307114416.db2.gz OIDFLILIDQXYMR-KGLIPLIRSA-N 2 1 307.398 1.913 20 5 DDBDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017392 307114417 /nfs/dbraw/zinc/11/44/17/307114417.db2.gz OIDFLILIDQXYMR-KGLIPLIRSA-N 2 1 307.398 1.913 20 5 DDBDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017392 307114418 /nfs/dbraw/zinc/11/44/18/307114418.db2.gz OIDFLILIDQXYMR-KGLIPLIRSA-N 2 1 307.398 1.913 20 5 DDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841041628 702320214 /nfs/dbraw/zinc/32/02/14/702320214.db2.gz BRYSXVCUNJOPQD-CQSZACIVSA-N 2 1 304.394 1.905 20 5 DDBDMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843349230 702864062 /nfs/dbraw/zinc/86/40/62/702864062.db2.gz NLQKJMDMLCBADG-LLVKDONJSA-N 2 1 324.356 1.604 20 5 DDBDMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818968383 704037303 /nfs/dbraw/zinc/03/73/03/704037303.db2.gz SEXAPIBDAFGLJA-HNNXBMFYSA-N 2 1 304.350 1.813 20 5 DDBDMP Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000902484163 710767921 /nfs/dbraw/zinc/76/79/21/710767921.db2.gz FAQWGYNIZOPWSJ-UXIGCNINSA-N 2 1 315.377 1.745 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903882802 711315875 /nfs/dbraw/zinc/31/58/75/711315875.db2.gz PVKQNWOUUQFGHT-ZDUSSCGKSA-N 2 1 303.362 1.474 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000903882802 711315878 /nfs/dbraw/zinc/31/58/78/711315878.db2.gz PVKQNWOUUQFGHT-ZDUSSCGKSA-N 2 1 303.362 1.474 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)nc1 ZINC000923325952 714314814 /nfs/dbraw/zinc/31/48/14/714314814.db2.gz HGGPRHPBYSQTEY-CYBMUJFWSA-N 2 1 305.382 1.618 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)nc1 ZINC000923325952 714314817 /nfs/dbraw/zinc/31/48/17/714314817.db2.gz HGGPRHPBYSQTEY-CYBMUJFWSA-N 2 1 305.382 1.618 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246544773 892689249 /nfs/dbraw/zinc/68/92/49/892689249.db2.gz SURXWCAZKCOYSV-CJNGLKHVSA-N 2 1 307.394 1.702 20 5 DDBDMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000114478673 407579616 /nfs/dbraw/zinc/57/96/16/407579616.db2.gz JRIXGMMSFXWKNJ-CYBMUJFWSA-N 2 1 320.393 1.807 20 5 DDBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000351847719 410285835 /nfs/dbraw/zinc/28/58/35/410285835.db2.gz BCAGRGVBRNLTPK-NWDGAFQWSA-N 2 1 306.366 1.593 20 5 DDBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000351861985 410300964 /nfs/dbraw/zinc/30/09/64/410300964.db2.gz MUSIOBQQRLQKGG-RYUDHWBXSA-N 2 1 306.366 1.593 20 5 DDBDMP C[NH2+]CCC[N@@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000420393941 420258682 /nfs/dbraw/zinc/25/86/82/420258682.db2.gz ZEVMSNJGRKJLKV-UHFFFAOYSA-N 2 1 322.365 1.434 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058084 420739503 /nfs/dbraw/zinc/73/95/03/420739503.db2.gz JBRPLIPMNVTHFZ-ZDUSSCGKSA-N 2 1 320.393 1.903 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351405 281022047 /nfs/dbraw/zinc/02/20/47/281022047.db2.gz WYGSUEROXXCTFI-GOEBONIOSA-N 2 1 318.421 1.944 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000377963504 302257858 /nfs/dbraw/zinc/25/78/58/302257858.db2.gz UYDKLOYVNBJCGI-HZSPNIEDSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000377963504 302257859 /nfs/dbraw/zinc/25/78/59/302257859.db2.gz UYDKLOYVNBJCGI-HZSPNIEDSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000377963504 302257861 /nfs/dbraw/zinc/25/78/61/302257861.db2.gz UYDKLOYVNBJCGI-HZSPNIEDSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000377963504 302257863 /nfs/dbraw/zinc/25/78/63/302257863.db2.gz UYDKLOYVNBJCGI-HZSPNIEDSA-N 2 1 305.382 1.207 20 5 DDBDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[N+](=O)[O-])CC2)CC1 ZINC000929806748 713694214 /nfs/dbraw/zinc/69/42/14/713694214.db2.gz SMZVUXWBWMYNPD-UHFFFAOYSA-N 2 1 312.458 1.391 20 5 DDBDMP CN(C(=O)C[N@H+]1CC[C@H](CC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000923486169 714372379 /nfs/dbraw/zinc/37/23/79/714372379.db2.gz CAVDQWMHPAMTGZ-LBPRGKRZSA-N 2 1 306.366 1.228 20 5 DDBDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130418941 767521440 /nfs/dbraw/zinc/52/14/40/767521440.db2.gz DBOCTZFWISJKDK-UHFFFAOYSA-N 2 1 322.409 1.531 20 5 DDBDMP C[C@@H](C[N+](C)(C)C)OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224960975 881611306 /nfs/dbraw/zinc/61/13/06/881611306.db2.gz JHZZWUFKHMWSLX-FUHWJXTLSA-N 2 1 307.458 1.999 20 5 DDBDMP C[C@@H](C[N+](C)(C)C)OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224960975 881611313 /nfs/dbraw/zinc/61/13/13/881611313.db2.gz JHZZWUFKHMWSLX-FUHWJXTLSA-N 2 1 307.458 1.999 20 5 DDBDMP C[N@@H+]1CCc2c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)ccc([N+](=O)[O-])c2C1 ZINC001163269302 868288867 /nfs/dbraw/zinc/28/88/67/868288867.db2.gz ZFDJSXKMXVIFGZ-FFSVYQOJSA-N 2 1 316.405 1.993 20 5 DDBDMP C[N@H+]1CCc2c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)ccc([N+](=O)[O-])c2C1 ZINC001163269302 868288881 /nfs/dbraw/zinc/28/88/81/868288881.db2.gz ZFDJSXKMXVIFGZ-FFSVYQOJSA-N 2 1 316.405 1.993 20 5 DDBDMP C[N@@H+]1CCc2c(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)ccc([N+](=O)[O-])c2C1 ZINC001163348262 868383520 /nfs/dbraw/zinc/38/35/20/868383520.db2.gz XTVOWMQEYZNSDM-YCPHGPKFSA-N 2 1 318.377 1.124 20 5 DDBDMP C[N@H+]1CCc2c(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)ccc([N+](=O)[O-])c2C1 ZINC001163348262 868383538 /nfs/dbraw/zinc/38/35/38/868383538.db2.gz XTVOWMQEYZNSDM-YCPHGPKFSA-N 2 1 318.377 1.124 20 5 DDBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001353238321 877208461 /nfs/dbraw/zinc/20/84/61/877208461.db2.gz FRNSFSCNRYWZTF-SWLSCSKDSA-N 2 1 302.334 1.429 20 5 DDBDMP [NH3+][C@@]12CC[C@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865058 892954655 /nfs/dbraw/zinc/95/46/55/892954655.db2.gz XVZNMKRVJWRGNR-SUMWQHHRSA-N 2 1 316.405 1.987 20 5 DDBDMP C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404323809 354675817 /nfs/dbraw/zinc/67/58/17/354675817.db2.gz SSAOMUQQOLOUHV-FZMZJTMJSA-N 2 1 320.393 1.643 20 5 DDBDMP C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000404323809 354675819 /nfs/dbraw/zinc/67/58/19/354675819.db2.gz SSAOMUQQOLOUHV-FZMZJTMJSA-N 2 1 320.393 1.643 20 5 DDBDMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000596102395 356772092 /nfs/dbraw/zinc/77/20/92/356772092.db2.gz IGRKDPBQXICQAT-GFCCVEGCSA-N 2 1 309.366 1.829 20 5 DDBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775854 359182121 /nfs/dbraw/zinc/18/21/21/359182121.db2.gz CIDNRSDEAMTOPM-GXTWGEPZSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775854 359182124 /nfs/dbraw/zinc/18/21/24/359182124.db2.gz CIDNRSDEAMTOPM-GXTWGEPZSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775854 359182129 /nfs/dbraw/zinc/18/21/29/359182129.db2.gz CIDNRSDEAMTOPM-GXTWGEPZSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000602775854 359182133 /nfs/dbraw/zinc/18/21/33/359182133.db2.gz CIDNRSDEAMTOPM-GXTWGEPZSA-N 2 1 309.414 1.904 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])n1 ZINC000603430024 359635324 /nfs/dbraw/zinc/63/53/24/359635324.db2.gz QIVYWIIUNRJICL-STQMWFEESA-N 2 1 307.398 1.540 20 5 DDBDMP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430806 359635553 /nfs/dbraw/zinc/63/55/53/359635553.db2.gz VAIXNJCVJXTNOS-MJBXVCDLSA-N 2 1 323.397 1.189 20 5 DDBDMP C[N@H+](CCCn1ccnc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124412113 407357962 /nfs/dbraw/zinc/35/79/62/407357962.db2.gz CZPISMWPQZIFMH-UHFFFAOYSA-N 2 1 317.349 1.752 20 5 DDBDMP C[N@@H+](CCCn1ccnc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000124412113 407357963 /nfs/dbraw/zinc/35/79/63/407357963.db2.gz CZPISMWPQZIFMH-UHFFFAOYSA-N 2 1 317.349 1.752 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000351847590 410285514 /nfs/dbraw/zinc/28/55/14/410285514.db2.gz AQPRIDCYSKHMQV-VXGBXAGGSA-N 2 1 309.366 1.651 20 5 DDBDMP [NH3+]C[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430928866 420211109 /nfs/dbraw/zinc/21/11/09/420211109.db2.gz VCYINTQIYAWDDN-LLVKDONJSA-N 2 1 320.349 1.173 20 5 DDBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000344869428 272132332 /nfs/dbraw/zinc/13/23/32/272132332.db2.gz RSIKXSZJQXYRFY-OIQJVACTSA-N 2 1 305.378 1.654 20 5 DDBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000344869428 272132333 /nfs/dbraw/zinc/13/23/33/272132333.db2.gz RSIKXSZJQXYRFY-OIQJVACTSA-N 2 1 305.378 1.654 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000576766229 308338531 /nfs/dbraw/zinc/33/85/31/308338531.db2.gz TUKSKCSBKIQOMS-NWDGAFQWSA-N 2 1 309.366 1.794 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000576766229 308338533 /nfs/dbraw/zinc/33/85/33/308338533.db2.gz TUKSKCSBKIQOMS-NWDGAFQWSA-N 2 1 309.366 1.794 20 5 DDBDMP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120798 702823701 /nfs/dbraw/zinc/82/37/01/702823701.db2.gz CVDHYRHUPSMAMV-OICCZTGUSA-N 2 1 316.405 1.588 20 5 DDBDMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282759 714296964 /nfs/dbraw/zinc/29/69/64/714296964.db2.gz QDOUDZIFZOLSPF-KBPBESRZSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282759 714296967 /nfs/dbraw/zinc/29/69/67/714296967.db2.gz QDOUDZIFZOLSPF-KBPBESRZSA-N 2 1 323.393 1.266 20 5 DDBDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001152439209 863347409 /nfs/dbraw/zinc/34/74/09/863347409.db2.gz FFPBWFUEWILONL-UHFFFAOYSA-N 2 1 308.382 1.141 20 5 DDBDMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001336763996 869130609 /nfs/dbraw/zinc/13/06/09/869130609.db2.gz WRWDKIAJGLWVAZ-ZDUSSCGKSA-N 2 1 320.393 1.855 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593731307 355978823 /nfs/dbraw/zinc/97/88/23/355978823.db2.gz WCHFYTQKAFFCGX-VHDGCEQUSA-N 2 1 323.397 1.152 20 5 DDBDMP C[N@H+]1CC[C@](O)(CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599064838 357806088 /nfs/dbraw/zinc/80/60/88/357806088.db2.gz FONYJIVDEMXNFT-HNNXBMFYSA-N 2 1 302.334 1.622 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422720924 533222658 /nfs/dbraw/zinc/22/26/58/533222658.db2.gz UFTMFVYNVCUXSD-DDTOSNHZSA-N 2 1 309.366 1.445 20 5 DDBDMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261637222 407564718 /nfs/dbraw/zinc/56/47/18/407564718.db2.gz FZJQGERRMKWJKZ-OAHLLOKOSA-N 2 1 306.366 1.594 20 5 DDBDMP C[NH+]1CCC2(CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367198439 418569572 /nfs/dbraw/zinc/56/95/72/418569572.db2.gz BUHWAAYTULUCQR-UHFFFAOYSA-N 2 1 307.398 1.599 20 5 DDBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423282136 420000902 /nfs/dbraw/zinc/00/09/02/420000902.db2.gz UZEDRKKAKSXGPY-YGRLFVJLSA-N 2 1 306.366 1.639 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430624883 420161789 /nfs/dbraw/zinc/16/17/89/420161789.db2.gz JMJVVPLSUTZERK-CYBMUJFWSA-N 2 1 320.393 1.903 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381746 420251488 /nfs/dbraw/zinc/25/14/88/420251488.db2.gz ZJHWHSGTCDHDCS-XHBSWPGZSA-N 2 1 320.393 1.900 20 5 DDBDMP Cc1[nH+]ccn1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876945733 705933558 /nfs/dbraw/zinc/93/35/58/705933558.db2.gz AYKXFBQPBJATRB-UHFFFAOYSA-N 2 1 304.354 1.680 20 5 DDBDMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095725 714000078 /nfs/dbraw/zinc/00/00/78/714000078.db2.gz ZIPZVSWCJNWQLT-MRXNPFEDSA-N 2 1 322.409 1.652 20 5 DDBDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095725 714000080 /nfs/dbraw/zinc/00/00/80/714000080.db2.gz ZIPZVSWCJNWQLT-MRXNPFEDSA-N 2 1 322.409 1.652 20 5 DDBDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095725 714000083 /nfs/dbraw/zinc/00/00/83/714000083.db2.gz ZIPZVSWCJNWQLT-MRXNPFEDSA-N 2 1 322.409 1.652 20 5 DDBDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095725 714000086 /nfs/dbraw/zinc/00/00/86/714000086.db2.gz ZIPZVSWCJNWQLT-MRXNPFEDSA-N 2 1 322.409 1.652 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438999 714098138 /nfs/dbraw/zinc/09/81/38/714098138.db2.gz MGMQUSBUTDCVHD-YCPHGPKFSA-N 2 1 305.378 1.512 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931438999 714098141 /nfs/dbraw/zinc/09/81/41/714098141.db2.gz MGMQUSBUTDCVHD-YCPHGPKFSA-N 2 1 305.378 1.512 20 5 DDBDMP C[N@@H+]1CCc2c(NC(=N)SCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001167916691 739444784 /nfs/dbraw/zinc/44/47/84/739444784.db2.gz WHYZXRIHEPQUSJ-UHFFFAOYSA-N 2 1 309.395 1.621 20 5 DDBDMP C[N@H+]1CCc2c(NC(=N)SCC[NH3+])ccc([N+](=O)[O-])c2C1 ZINC001167916691 739444786 /nfs/dbraw/zinc/44/47/86/739444786.db2.gz WHYZXRIHEPQUSJ-UHFFFAOYSA-N 2 1 309.395 1.621 20 5 DDBDMP Cc1nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001330685257 864534678 /nfs/dbraw/zinc/53/46/78/864534678.db2.gz LNSXDSWCWHBYOT-NSHDSACASA-N 2 1 310.402 1.377 20 5 DDBDMP Cc1nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001330685257 864534692 /nfs/dbraw/zinc/53/46/92/864534692.db2.gz LNSXDSWCWHBYOT-NSHDSACASA-N 2 1 310.402 1.377 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CCC3(C[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001159043365 865067140 /nfs/dbraw/zinc/06/71/40/865067140.db2.gz XKZFIFFJXKSOTI-ZZXKWVIFSA-N 2 1 317.393 1.712 20 5 DDBDMP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564302 892701805 /nfs/dbraw/zinc/70/18/05/892701805.db2.gz XHKYEOACEBKMRH-HOTGVXAUSA-N 2 1 305.378 1.238 20 5 DDBDMP Cc1cnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596360428 356863528 /nfs/dbraw/zinc/86/35/28/356863528.db2.gz KKVFGZYPTNAOOZ-ZDUSSCGKSA-N 2 1 309.414 1.982 20 5 DDBDMP Cc1cnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596360428 356863531 /nfs/dbraw/zinc/86/35/31/356863531.db2.gz KKVFGZYPTNAOOZ-ZDUSSCGKSA-N 2 1 309.414 1.982 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(C)C[NH3+] ZINC000430586418 420149533 /nfs/dbraw/zinc/14/95/33/420149533.db2.gz SQMVIBABCDMEFU-UHFFFAOYSA-N 2 1 308.382 1.840 20 5 DDBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261653150 698431239 /nfs/dbraw/zinc/43/12/39/698431239.db2.gz FMYAGBAYEAEZHF-GXTWGEPZSA-N 2 1 320.393 1.443 20 5 DDBDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2)C1 ZINC000779649653 698447930 /nfs/dbraw/zinc/44/79/30/698447930.db2.gz KAMKJPJAPSFMAZ-AWEZNQCLSA-N 2 1 322.365 1.702 20 5 DDBDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2)C1 ZINC000779649653 698447933 /nfs/dbraw/zinc/44/79/33/698447933.db2.gz KAMKJPJAPSFMAZ-AWEZNQCLSA-N 2 1 322.365 1.702 20 5 DDBDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819365851 704113550 /nfs/dbraw/zinc/11/35/50/704113550.db2.gz CGJJRGHQWYCIFL-CZUORRHYSA-N 2 1 307.394 1.950 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923359612 714327281 /nfs/dbraw/zinc/32/72/81/714327281.db2.gz SZFDNPSZHFTCGR-MGPQQGTHSA-N 2 1 321.377 1.018 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923359612 714327286 /nfs/dbraw/zinc/32/72/86/714327286.db2.gz SZFDNPSZHFTCGR-MGPQQGTHSA-N 2 1 321.377 1.018 20 5 DDBDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151147726 862650192 /nfs/dbraw/zinc/65/01/92/862650192.db2.gz UVBWUMJHJIIUET-UHFFFAOYSA-N 2 1 317.349 1.006 20 5 DDBDMP Cc1c(C)c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160514182 865900268 /nfs/dbraw/zinc/90/02/68/865900268.db2.gz UQGBYJBQJNVRGJ-OAHLLOKOSA-N 2 1 305.382 1.442 20 5 DDBDMP C[NH+](C)/C=C/c1cc(-n2ncc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165220330 869444112 /nfs/dbraw/zinc/44/41/12/869444112.db2.gz LEMYFJSNMJSCTA-GQCTYLIASA-N 2 1 314.349 1.354 20 5 DDBDMP CC[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001353273805 877224023 /nfs/dbraw/zinc/22/40/23/877224023.db2.gz QNFRCFDKJUXZPC-CYBMUJFWSA-N 2 1 320.393 1.855 20 5 DDBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[NH2+]CC34CC4)CC2)cc1 ZINC001246132840 892426938 /nfs/dbraw/zinc/42/69/38/892426938.db2.gz MNLZPOYISFYGIS-MRXNPFEDSA-N 2 1 316.405 1.905 20 5 DDBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NCC[N@H+]3CC[C@H](O)C3)c2c1 ZINC000601204960 358446474 /nfs/dbraw/zinc/44/64/74/358446474.db2.gz VNQLBDYOQDZOTL-LBPRGKRZSA-N 2 1 302.334 1.043 20 5 DDBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NCC[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000601204960 358446476 /nfs/dbraw/zinc/44/64/76/358446476.db2.gz VNQLBDYOQDZOTL-LBPRGKRZSA-N 2 1 302.334 1.043 20 5 DDBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775856 359181908 /nfs/dbraw/zinc/18/19/08/359181908.db2.gz CIDNRSDEAMTOPM-OCCSQVGLSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775856 359181914 /nfs/dbraw/zinc/18/19/14/359181914.db2.gz CIDNRSDEAMTOPM-OCCSQVGLSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[NH+]1CC[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775856 359181917 /nfs/dbraw/zinc/18/19/17/359181917.db2.gz CIDNRSDEAMTOPM-OCCSQVGLSA-N 2 1 309.414 1.904 20 5 DDBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1C ZINC000602775856 359181920 /nfs/dbraw/zinc/18/19/20/359181920.db2.gz CIDNRSDEAMTOPM-OCCSQVGLSA-N 2 1 309.414 1.904 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000602799411 359200342 /nfs/dbraw/zinc/20/03/42/359200342.db2.gz SMKYECCFPXLSCG-UHFFFAOYSA-N 2 1 306.370 1.627 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000602799411 359200344 /nfs/dbraw/zinc/20/03/44/359200344.db2.gz SMKYECCFPXLSCG-UHFFFAOYSA-N 2 1 306.370 1.627 20 5 DDBDMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254179 410420050 /nfs/dbraw/zinc/42/00/50/410420050.db2.gz PDAYITXRDGJESZ-NVXWUHKLSA-N 2 1 319.405 1.572 20 5 DDBDMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000358254179 410420056 /nfs/dbraw/zinc/42/00/56/410420056.db2.gz PDAYITXRDGJESZ-NVXWUHKLSA-N 2 1 319.405 1.572 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036909 419797401 /nfs/dbraw/zinc/79/74/01/419797401.db2.gz RXFMPHXYENDRFA-SWLSCSKDSA-N 2 1 318.377 1.607 20 5 DDBDMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036909 419797405 /nfs/dbraw/zinc/79/74/05/419797405.db2.gz RXFMPHXYENDRFA-SWLSCSKDSA-N 2 1 318.377 1.607 20 5 DDBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261653155 698431251 /nfs/dbraw/zinc/43/12/51/698431251.db2.gz FMYAGBAYEAEZHF-JSGCOSHPSA-N 2 1 320.393 1.443 20 5 DDBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261983502 698448668 /nfs/dbraw/zinc/44/86/68/698448668.db2.gz AQKPFMOQCGHYGE-MRXNPFEDSA-N 2 1 304.394 1.117 20 5 DDBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000729683506 699485101 /nfs/dbraw/zinc/48/51/01/699485101.db2.gz UVZKIKHNUQPMFS-UHFFFAOYSA-N 2 1 306.410 1.712 20 5 DDBDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818979990 704042080 /nfs/dbraw/zinc/04/20/80/704042080.db2.gz FNOSITSFMQDNHV-BBRMVZONSA-N 2 1 307.394 1.950 20 5 DDBDMP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000899911160 709234966 /nfs/dbraw/zinc/23/49/66/709234966.db2.gz QRGDAMPUVFFQLL-HNNXBMFYSA-N 2 1 305.378 1.798 20 5 DDBDMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000899911160 709234967 /nfs/dbraw/zinc/23/49/67/709234967.db2.gz QRGDAMPUVFFQLL-HNNXBMFYSA-N 2 1 305.378 1.798 20 5 DDBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n1 ZINC000902469014 710763670 /nfs/dbraw/zinc/76/36/70/710763670.db2.gz NOAIUIDKPKGYHQ-MRTXSQPYSA-N 2 1 305.382 1.758 20 5 DDBDMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)CCC1 ZINC000903813816 711289392 /nfs/dbraw/zinc/28/93/92/711289392.db2.gz ISANSSAZXPNXSK-CYBMUJFWSA-N 2 1 307.398 1.775 20 5 DDBDMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1O ZINC001246577606 892711989 /nfs/dbraw/zinc/71/19/89/892711989.db2.gz BNXMRBSWHQXUTG-OFQRWUPVSA-N 2 1 305.378 1.094 20 5 DDBDMP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414798983 533448714 /nfs/dbraw/zinc/44/87/14/533448714.db2.gz CXHDBHARIOVZSI-HZMBPMFUSA-N 2 1 306.366 1.639 20 5 DDBDMP CC[N@@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603911 408026090 /nfs/dbraw/zinc/02/60/90/408026090.db2.gz XKLIMMWUUVNKCH-ZFWWWQNUSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[N@H+]1CC[C@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603911 408026098 /nfs/dbraw/zinc/02/60/98/408026098.db2.gz XKLIMMWUUVNKCH-ZFWWWQNUSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[NH+]1CC[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603911 408026103 /nfs/dbraw/zinc/02/61/03/408026103.db2.gz XKLIMMWUUVNKCH-ZFWWWQNUSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[NH+]1CC[C@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603911 408026109 /nfs/dbraw/zinc/02/61/09/408026109.db2.gz XKLIMMWUUVNKCH-ZFWWWQNUSA-N 2 1 322.409 1.419 20 5 DDBDMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420301702 420191628 /nfs/dbraw/zinc/19/16/28/420191628.db2.gz IUFZPBOSIQMUFZ-HNNXBMFYSA-N 2 1 308.382 1.886 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942888 420217717 /nfs/dbraw/zinc/21/77/17/420217717.db2.gz FECVLBHKDMLODU-AAEUAGOBSA-N 2 1 309.366 1.651 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942888 420217721 /nfs/dbraw/zinc/21/77/21/420217721.db2.gz FECVLBHKDMLODU-AAEUAGOBSA-N 2 1 309.366 1.651 20 5 DDBDMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000554635243 421656251 /nfs/dbraw/zinc/65/62/51/421656251.db2.gz BYNNLWXHQNUHEG-HNNXBMFYSA-N 2 1 323.393 1.408 20 5 DDBDMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168988035 762180698 /nfs/dbraw/zinc/18/06/98/762180698.db2.gz MSVPUEZDAHGEQK-KGLIPLIRSA-N 3 1 314.474 1.907 20 5 DDBDMP [NH2+]=C(NCCCC[NH3+])Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001157095891 764415389 /nfs/dbraw/zinc/41/53/89/764415389.db2.gz AAXNTQLKQCJDIS-UHFFFAOYSA-N 2 1 321.168 1.972 20 5 DDBDMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289327 877232506 /nfs/dbraw/zinc/23/25/06/877232506.db2.gz XTBBAZJKTSVQNZ-DZGCQCFKSA-N 2 1 323.393 1.266 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246554487 892692082 /nfs/dbraw/zinc/69/20/82/892692082.db2.gz VGOOJWIYEIHNLR-CZUORRHYSA-N 2 1 307.394 1.702 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000602782387 359188145 /nfs/dbraw/zinc/18/81/45/359188145.db2.gz MPDYNIAFAFLNIN-HNNXBMFYSA-N 2 1 321.425 1.908 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000602782387 359188148 /nfs/dbraw/zinc/18/81/48/359188148.db2.gz MPDYNIAFAFLNIN-HNNXBMFYSA-N 2 1 321.425 1.908 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430591431 292293316 /nfs/dbraw/zinc/29/33/16/292293316.db2.gz FMNHIQANIHPSIL-MRXNPFEDSA-N 2 1 320.393 1.949 20 5 DDBDMP Cn1cc[nH+]c1CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174850615 418518626 /nfs/dbraw/zinc/51/86/26/418518626.db2.gz XSIZSZJFWVIMMR-UHFFFAOYSA-N 2 1 318.381 1.480 20 5 DDBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C[NH3+])CC1 ZINC000430645148 420169391 /nfs/dbraw/zinc/16/93/91/420169391.db2.gz OASRQZHVGUSENI-LLVKDONJSA-N 2 1 306.366 1.593 20 5 DDBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058494 420740154 /nfs/dbraw/zinc/74/01/54/420740154.db2.gz KNQLPRBTFXIEIB-CYBMUJFWSA-N 2 1 320.393 1.903 20 5 DDBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058494 420740158 /nfs/dbraw/zinc/74/01/58/420740158.db2.gz KNQLPRBTFXIEIB-CYBMUJFWSA-N 2 1 320.393 1.903 20 5 DDBDMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843347176 702863584 /nfs/dbraw/zinc/86/35/84/702863584.db2.gz BOFZFMKBLXRCEX-LLVKDONJSA-N 2 1 324.356 1.733 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903882373 711315318 /nfs/dbraw/zinc/31/53/18/711315318.db2.gz NCGKOILCVDQXEO-PBHICJAKSA-N 2 1 317.389 1.722 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903882373 711315320 /nfs/dbraw/zinc/31/53/20/711315320.db2.gz NCGKOILCVDQXEO-PBHICJAKSA-N 2 1 317.389 1.722 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCC[NH2+]C3CC3)C2)nc1 ZINC000923325955 714314528 /nfs/dbraw/zinc/31/45/28/714314528.db2.gz HGGPRHPBYSQTEY-ZDUSSCGKSA-N 2 1 305.382 1.618 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCC[NH2+]C3CC3)C2)nc1 ZINC000923325955 714314531 /nfs/dbraw/zinc/31/45/31/714314531.db2.gz HGGPRHPBYSQTEY-ZDUSSCGKSA-N 2 1 305.382 1.618 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CC[NH2+]C3(CC3)C2)ncc1[N+](=O)[O-] ZINC001158938322 864985674 /nfs/dbraw/zinc/98/56/74/864985674.db2.gz YTLBBTPEIUJBHW-XVNBXDOJSA-N 2 1 303.366 1.464 20 5 DDBDMP C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001234066532 887611344 /nfs/dbraw/zinc/61/13/44/887611344.db2.gz HPAGHIDUTXEZRW-OAHLLOKOSA-N 2 1 320.457 1.548 20 5 DDBDMP COc1ccc([N+](=O)[O-])c(NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000596425204 356874870 /nfs/dbraw/zinc/87/48/70/356874870.db2.gz QDDGMOHVCGPEPG-UHFFFAOYSA-N 2 1 310.398 1.899 20 5 DDBDMP COc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000596425204 356874874 /nfs/dbraw/zinc/87/48/74/356874874.db2.gz QDDGMOHVCGPEPG-UHFFFAOYSA-N 2 1 310.398 1.899 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+](C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000600736955 358301707 /nfs/dbraw/zinc/30/17/07/358301707.db2.gz UDONYEGWRWUITA-UHFFFAOYSA-N 2 1 324.381 1.139 20 5 DDBDMP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601134274 358416095 /nfs/dbraw/zinc/41/60/95/358416095.db2.gz DRCGTYFMEYKDKE-HNNXBMFYSA-N 2 1 304.350 1.289 20 5 DDBDMP Cn1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c([N+](=O)[O-])n1 ZINC000603429705 359635496 /nfs/dbraw/zinc/63/54/96/359635496.db2.gz PHURJHUKGGHWEX-ZIAGYGMSSA-N 2 1 323.397 1.047 20 5 DDBDMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262181169 407759164 /nfs/dbraw/zinc/75/91/64/407759164.db2.gz WRBRRBSBVDKNSR-HNNXBMFYSA-N 2 1 304.394 1.383 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430591430 420149668 /nfs/dbraw/zinc/14/96/68/420149668.db2.gz FMNHIQANIHPSIL-INIZCTEOSA-N 2 1 320.393 1.949 20 5 DDBDMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420416775 420273535 /nfs/dbraw/zinc/27/35/35/420273535.db2.gz VVOOFOBBHJZKJN-OLZOCXBDSA-N 2 1 320.393 1.840 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000563275011 307962955 /nfs/dbraw/zinc/96/29/55/307962955.db2.gz DPSWYNUCYNONGO-UHFFFAOYSA-N 2 1 320.393 1.903 20 5 DDBDMP Cn1ccnc1[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000873249702 707784413 /nfs/dbraw/zinc/78/44/13/707784413.db2.gz MUGHOABSVOTZIO-OSAQELSMSA-N 2 1 315.377 1.745 20 5 DDBDMP C[C@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@H]1C[NH2+]CCO1 ZINC001159499415 865354732 /nfs/dbraw/zinc/35/47/32/865354732.db2.gz PXUDDCGYDIRBIR-ICCMNZRJSA-N 2 1 321.381 1.311 20 5 DDBDMP C[N@H+]1CCc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2C1 ZINC001228936862 883739850 /nfs/dbraw/zinc/73/98/50/883739850.db2.gz OTCDXMFTFYJOJP-OAHLLOKOSA-N 2 1 307.414 1.037 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001246620930 892743796 /nfs/dbraw/zinc/74/37/96/892743796.db2.gz BVICFCPIHXZQLG-CZUORRHYSA-N 2 1 304.394 1.163 20 5 DDBDMP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430801 359635143 /nfs/dbraw/zinc/63/51/43/359635143.db2.gz VAIXNJCVJXTNOS-MCIONIFRSA-N 2 1 323.397 1.189 20 5 DDBDMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000114199433 407549694 /nfs/dbraw/zinc/54/96/94/407549694.db2.gz ZAYUULVCSNUWAN-CYBMUJFWSA-N 2 1 320.393 1.807 20 5 DDBDMP Cc1c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000261816591 407625630 /nfs/dbraw/zinc/62/56/30/407625630.db2.gz AHGCSXRNLOAANC-OAHLLOKOSA-N 2 1 304.394 1.383 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036907 419797110 /nfs/dbraw/zinc/79/71/10/419797110.db2.gz RXFMPHXYENDRFA-DOMZBBRYSA-N 2 1 318.377 1.607 20 5 DDBDMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428036907 419797118 /nfs/dbraw/zinc/79/71/18/419797118.db2.gz RXFMPHXYENDRFA-DOMZBBRYSA-N 2 1 318.377 1.607 20 5 DDBDMP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000415135509 419961188 /nfs/dbraw/zinc/96/11/88/419961188.db2.gz WSFOQLKRFPNEHG-HNNXBMFYSA-N 2 1 316.365 1.482 20 5 DDBDMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000415135509 419961192 /nfs/dbraw/zinc/96/11/92/419961192.db2.gz WSFOQLKRFPNEHG-HNNXBMFYSA-N 2 1 316.365 1.482 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430624885 420162345 /nfs/dbraw/zinc/16/23/45/420162345.db2.gz JMJVVPLSUTZERK-ZDUSSCGKSA-N 2 1 320.393 1.903 20 5 DDBDMP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262082800 698453750 /nfs/dbraw/zinc/45/37/50/698453750.db2.gz FMXMGBKNVGQLNI-AWEZNQCLSA-N 2 1 324.812 1.728 20 5 DDBDMP O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262082800 698453755 /nfs/dbraw/zinc/45/37/55/698453755.db2.gz FMXMGBKNVGQLNI-AWEZNQCLSA-N 2 1 324.812 1.728 20 5 DDBDMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877525247 706131798 /nfs/dbraw/zinc/13/17/98/706131798.db2.gz WQZUZEBFGKKWMX-IYXRBSQSSA-N 2 1 307.398 1.815 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923332686 714318042 /nfs/dbraw/zinc/31/80/42/714318042.db2.gz MCTBJKBPKNDNIE-GDBMZVCRSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923332686 714318046 /nfs/dbraw/zinc/31/80/46/714318046.db2.gz MCTBJKBPKNDNIE-GDBMZVCRSA-N 2 1 321.377 1.020 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000923362900 714327931 /nfs/dbraw/zinc/32/79/31/714327931.db2.gz QKWSZQBAKLRLJX-HLLBOEOZSA-N 2 1 319.405 1.950 20 5 DDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923376773 714333800 /nfs/dbraw/zinc/33/38/00/714333800.db2.gz ONNFBDWTSQZIQR-CQSZACIVSA-N 2 1 305.378 1.448 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001161867819 867045242 /nfs/dbraw/zinc/04/52/42/867045242.db2.gz PWVJCWWUZCLOTJ-UHFFFAOYSA-N 2 1 315.377 1.978 20 5 DDBDMP C[NH+](C)/C=C/c1cc(-n2cnc3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001164316362 869120271 /nfs/dbraw/zinc/12/02/71/869120271.db2.gz KFCGHLZIAVPDAU-GQCTYLIASA-N 2 1 314.349 1.354 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC001345136681 873268715 /nfs/dbraw/zinc/26/87/15/873268715.db2.gz HWIVGDABUYJPMK-IRXDYDNUSA-N 2 1 317.389 1.722 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC001345136681 873268729 /nfs/dbraw/zinc/26/87/29/873268729.db2.gz HWIVGDABUYJPMK-IRXDYDNUSA-N 2 1 317.389 1.722 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246617501 892740523 /nfs/dbraw/zinc/74/05/23/892740523.db2.gz GPWFRHSATAPSQD-KMFMINBZSA-N 2 1 318.421 1.552 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000595900857 356697884 /nfs/dbraw/zinc/69/78/84/356697884.db2.gz NUYDAXMAXQEIEN-CQSZACIVSA-N 2 1 307.398 1.503 20 5 DDBDMP O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000600723677 358296968 /nfs/dbraw/zinc/29/69/68/358296968.db2.gz DESRZXMMXWFVSZ-CQSZACIVSA-N 2 1 309.366 1.020 20 5 DDBDMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000271856168 209271360 /nfs/dbraw/zinc/27/13/60/209271360.db2.gz UXNZJOJAEPAUBO-UHFFFAOYSA-N 2 1 321.377 1.964 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@@](C)(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000261807868 407622013 /nfs/dbraw/zinc/62/20/13/407622013.db2.gz OOECQZJXFXYRCG-INIZCTEOSA-N 2 1 320.393 1.903 20 5 DDBDMP C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1n1ccnc1 ZINC000245563804 408019611 /nfs/dbraw/zinc/01/96/11/408019611.db2.gz DBNCRLPUSOSBBL-CHWSQXEVSA-N 2 1 304.354 1.571 20 5 DDBDMP O=C(CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000359305963 410592123 /nfs/dbraw/zinc/59/21/23/410592123.db2.gz MHMFQNWKKZXTNC-TXEJJXNPSA-N 2 1 304.350 1.075 20 5 DDBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329729 420215021 /nfs/dbraw/zinc/21/50/21/420215021.db2.gz HFEIPEWDRUPYII-OKILXGFUSA-N 2 1 305.378 1.905 20 5 DDBDMP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414798988 533688984 /nfs/dbraw/zinc/68/89/84/533688984.db2.gz CXHDBHARIOVZSI-QMTHXVAHSA-N 2 1 306.366 1.639 20 5 DDBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571773012 308201788 /nfs/dbraw/zinc/20/17/88/308201788.db2.gz VNCBMWOVCGFFFK-NEPJUHHUSA-N 2 1 306.366 1.735 20 5 DDBDMP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895770302 711601398 /nfs/dbraw/zinc/60/13/98/711601398.db2.gz LUBOMHMXXRLYHB-NWDGAFQWSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895770302 711601400 /nfs/dbraw/zinc/60/14/00/711601400.db2.gz LUBOMHMXXRLYHB-NWDGAFQWSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895770302 711601401 /nfs/dbraw/zinc/60/14/01/711601401.db2.gz LUBOMHMXXRLYHB-NWDGAFQWSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C)n1 ZINC000895770302 711601403 /nfs/dbraw/zinc/60/14/03/711601403.db2.gz LUBOMHMXXRLYHB-NWDGAFQWSA-N 2 1 320.397 1.222 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359565 714326999 /nfs/dbraw/zinc/32/69/99/714326999.db2.gz RXZAGXSIGIZTCF-XNRPHZJLSA-N 2 1 321.377 1.018 20 5 DDBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000923359565 714327000 /nfs/dbraw/zinc/32/70/00/714327000.db2.gz RXZAGXSIGIZTCF-XNRPHZJLSA-N 2 1 321.377 1.018 20 5 DDBDMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169023712 762200871 /nfs/dbraw/zinc/20/08/71/762200871.db2.gz PUTAORSXNHZTNF-STQMWFEESA-N 2 1 310.398 1.562 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001173221632 777054111 /nfs/dbraw/zinc/05/41/11/777054111.db2.gz OENSAIYDLBKBPL-SUMWQHHRSA-N 2 1 318.421 1.539 20 5 DDBDMP C[N@H+]1CCC[C@H](CCNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001165273187 869484887 /nfs/dbraw/zinc/48/48/87/869484887.db2.gz OZRDYMCRABHEDJ-LLVKDONJSA-N 2 1 320.397 1.215 20 5 DDBDMP C[N@H+]1CCCN(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254576557 896510403 /nfs/dbraw/zinc/51/04/03/896510403.db2.gz XJAKMNKPKJHTOU-MRXNPFEDSA-N 2 1 318.421 1.289 20 5 DDBDMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682135 357685474 /nfs/dbraw/zinc/68/54/74/357685474.db2.gz MDEPJIBVZRUTRE-BLLLJJGKSA-N 2 1 318.377 1.737 20 5 DDBDMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682135 357685475 /nfs/dbraw/zinc/68/54/75/357685475.db2.gz MDEPJIBVZRUTRE-BLLLJJGKSA-N 2 1 318.377 1.737 20 5 DDBDMP C[N@H+]1CCN(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000282327488 409035187 /nfs/dbraw/zinc/03/51/87/409035187.db2.gz LIWAROWMNRRPFP-UHFFFAOYSA-N 2 1 306.410 1.710 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853571 410289527 /nfs/dbraw/zinc/28/95/27/410289527.db2.gz PBSGWOHMXQKQCC-QWHCGFSZSA-N 2 1 320.393 1.901 20 5 DDBDMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CN ZINC000420283564 420180502 /nfs/dbraw/zinc/18/05/02/420180502.db2.gz CDIYZEASHPRQLL-IUODEOHRSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000420283564 420180510 /nfs/dbraw/zinc/18/05/10/420180510.db2.gz CDIYZEASHPRQLL-IUODEOHRSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C[NH3+] ZINC000420283564 420180514 /nfs/dbraw/zinc/18/05/14/420180514.db2.gz CDIYZEASHPRQLL-IUODEOHRSA-N 2 1 320.393 1.983 20 5 DDBDMP COc1ccc(OCC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000442762635 420709616 /nfs/dbraw/zinc/70/96/16/420709616.db2.gz CHMFMQNCAHBPMN-NEPJUHHUSA-N 2 1 309.366 1.651 20 5 DDBDMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581731067 422037963 /nfs/dbraw/zinc/03/79/63/422037963.db2.gz JLBDRQLXECWRIV-MRXNPFEDSA-N 2 1 323.393 1.408 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000531970539 303268191 /nfs/dbraw/zinc/26/81/91/303268191.db2.gz CRTUHCUNKJGXHM-DZGCQCFKSA-N 2 1 306.410 1.800 20 5 DDBDMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876964377 705940925 /nfs/dbraw/zinc/94/09/25/705940925.db2.gz YZOPFSNGDNMUSO-IYXRBSQSSA-N 2 1 307.398 1.816 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000923331528 714317456 /nfs/dbraw/zinc/31/74/56/714317456.db2.gz MPXAETBJTBJMEA-HNNXBMFYSA-N 2 1 305.378 1.704 20 5 DDBDMP C[N@@H+]1CC=C(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001335399263 868270573 /nfs/dbraw/zinc/27/05/73/868270573.db2.gz XHWUPRIJJSUVOR-UHFFFAOYSA-N 2 1 318.377 1.775 20 5 DDBDMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289335 877233796 /nfs/dbraw/zinc/23/37/96/877233796.db2.gz XTBBAZJKTSVQNZ-ZFWWWQNUSA-N 2 1 323.393 1.266 20 5 DDBDMP C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404323808 354675967 /nfs/dbraw/zinc/67/59/67/354675967.db2.gz SSAOMUQQOLOUHV-BXUZGUMPSA-N 2 1 320.393 1.643 20 5 DDBDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404323808 354675969 /nfs/dbraw/zinc/67/59/69/354675969.db2.gz SSAOMUQQOLOUHV-BXUZGUMPSA-N 2 1 320.393 1.643 20 5 DDBDMP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261818992 407626496 /nfs/dbraw/zinc/62/64/96/407626496.db2.gz HFCPXORFWQMPAC-UBHSHLNASA-N 2 1 318.377 1.253 20 5 DDBDMP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261818992 407626504 /nfs/dbraw/zinc/62/65/04/407626504.db2.gz HFCPXORFWQMPAC-UBHSHLNASA-N 2 1 318.377 1.253 20 5 DDBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262560890 407869333 /nfs/dbraw/zinc/86/93/33/407869333.db2.gz VLMSZSDSAFPZOQ-CQSZACIVSA-N 2 1 324.812 1.728 20 5 DDBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262560890 407869339 /nfs/dbraw/zinc/86/93/39/407869339.db2.gz VLMSZSDSAFPZOQ-CQSZACIVSA-N 2 1 324.812 1.728 20 5 DDBDMP Cn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435393499 229381489 /nfs/dbraw/zinc/38/14/89/229381489.db2.gz GEMMPRQJSGIZDN-LBPRGKRZSA-N 2 1 315.377 1.776 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430921538 420207009 /nfs/dbraw/zinc/20/70/09/420207009.db2.gz YMZQDYSJTZKDBP-GFCCVEGCSA-N 2 1 306.366 1.512 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430955629 420221232 /nfs/dbraw/zinc/22/12/32/420221232.db2.gz MCHQAZPYKWFYPB-YPMHNXCESA-N 2 1 320.393 1.901 20 5 DDBDMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000443058512 420739673 /nfs/dbraw/zinc/73/96/73/420739673.db2.gz KQLRRFBRQJOOMO-ZDUSSCGKSA-N 2 1 320.393 1.984 20 5 DDBDMP O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000377945789 302253610 /nfs/dbraw/zinc/25/36/10/302253610.db2.gz QYPQBGIQMRBTAV-VHDGCEQUSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000377945789 302253613 /nfs/dbraw/zinc/25/36/13/302253613.db2.gz QYPQBGIQMRBTAV-VHDGCEQUSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000377945789 302253616 /nfs/dbraw/zinc/25/36/16/302253616.db2.gz QYPQBGIQMRBTAV-VHDGCEQUSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000377945789 302253620 /nfs/dbraw/zinc/25/36/20/302253620.db2.gz QYPQBGIQMRBTAV-VHDGCEQUSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000377945789 302253622 /nfs/dbraw/zinc/25/36/22/302253622.db2.gz QYPQBGIQMRBTAV-VHDGCEQUSA-N 2 1 305.382 1.207 20 5 DDBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261666406 698432010 /nfs/dbraw/zinc/43/20/10/698432010.db2.gz GTQZNBIVRNDAOE-NSHDSACASA-N 2 1 324.356 1.021 20 5 DDBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261666406 698432015 /nfs/dbraw/zinc/43/20/15/698432015.db2.gz GTQZNBIVRNDAOE-NSHDSACASA-N 2 1 324.356 1.021 20 5 DDBDMP O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262414057 698468313 /nfs/dbraw/zinc/46/83/13/698468313.db2.gz DKEACYLNWJADAP-AWEZNQCLSA-N 2 1 324.812 1.728 20 5 DDBDMP O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262414057 698468314 /nfs/dbraw/zinc/46/83/14/698468314.db2.gz DKEACYLNWJADAP-AWEZNQCLSA-N 2 1 324.812 1.728 20 5 DDBDMP C[NH+](C)[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870879787 704155415 /nfs/dbraw/zinc/15/54/15/704155415.db2.gz NPWVVQCYXIOBLS-GOEBONIOSA-N 2 1 320.393 1.321 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923356466 714325334 /nfs/dbraw/zinc/32/53/34/714325334.db2.gz RXWSEKQORSHOLR-HOTGVXAUSA-N 2 1 305.378 1.704 20 5 DDBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923356466 714325335 /nfs/dbraw/zinc/32/53/35/714325335.db2.gz RXWSEKQORSHOLR-HOTGVXAUSA-N 2 1 305.378 1.704 20 5 DDBDMP CN(C[C@@H]1CC[NH2+]C1)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001166957984 870420913 /nfs/dbraw/zinc/42/09/13/870420913.db2.gz NFKXJXJPALXRIW-HOSRBBHYSA-N 2 1 305.382 1.568 20 5 DDBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246554485 892691952 /nfs/dbraw/zinc/69/19/52/892691952.db2.gz VGOOJWIYEIHNLR-BBRMVZONSA-N 2 1 307.394 1.702 20 5 DDBDMP [NH3+]CCN(Cc1c[nH+]c2n1CCC2)c1ccccc1[N+](=O)[O-] ZINC000597128583 357067478 /nfs/dbraw/zinc/06/74/78/357067478.db2.gz XAKDAVFSYDNUHE-UHFFFAOYSA-N 2 1 301.350 1.703 20 5 DDBDMP C[NH+]1CCC(CCO)([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602613229 359074303 /nfs/dbraw/zinc/07/43/03/359074303.db2.gz UNELKQDNORHSLT-UHFFFAOYSA-N 2 1 307.394 1.574 20 5 DDBDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602780036 359185818 /nfs/dbraw/zinc/18/58/18/359185818.db2.gz DPGMRZLHPXVURH-AWEZNQCLSA-N 2 1 309.414 1.763 20 5 DDBDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602780036 359185822 /nfs/dbraw/zinc/18/58/22/359185822.db2.gz DPGMRZLHPXVURH-AWEZNQCLSA-N 2 1 309.414 1.763 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000602782389 359187344 /nfs/dbraw/zinc/18/73/44/359187344.db2.gz MPDYNIAFAFLNIN-OAHLLOKOSA-N 2 1 321.425 1.908 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000602782389 359187347 /nfs/dbraw/zinc/18/73/47/359187347.db2.gz MPDYNIAFAFLNIN-OAHLLOKOSA-N 2 1 321.425 1.908 20 5 DDBDMP C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000351504303 284350963 /nfs/dbraw/zinc/35/09/63/284350963.db2.gz VKSHCKFVJMQEPY-UONOGXRCSA-N 2 1 307.398 1.959 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430961966 533224212 /nfs/dbraw/zinc/22/42/12/533224212.db2.gz GGDPANIGNHJWAH-NSHDSACASA-N 2 1 322.365 1.213 20 5 DDBDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283891232 409234877 /nfs/dbraw/zinc/23/48/77/409234877.db2.gz COVNKIMKJCWNJM-LBPRGKRZSA-N 2 1 322.409 1.674 20 5 DDBDMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430641445 420167643 /nfs/dbraw/zinc/16/76/43/420167643.db2.gz TVZAUVRXCKMVEW-CYBMUJFWSA-N 2 1 320.393 1.855 20 5 DDBDMP COc1ccc(OCC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442762637 420709940 /nfs/dbraw/zinc/70/99/40/420709940.db2.gz CHMFMQNCAHBPMN-NWDGAFQWSA-N 2 1 309.366 1.651 20 5 DDBDMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000843355743 702865635 /nfs/dbraw/zinc/86/56/35/702865635.db2.gz ISWHJNGVZYWGFX-HNNXBMFYSA-N 2 1 324.356 1.780 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC([NH3+])C1 ZINC000843387545 702871691 /nfs/dbraw/zinc/87/16/91/702871691.db2.gz LONSILGMJICNSV-UHFFFAOYSA-N 2 1 310.329 1.484 20 5 DDBDMP C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000819220986 704089039 /nfs/dbraw/zinc/08/90/39/704089039.db2.gz VJGDTGRUIASYLJ-WBMJQRKESA-N 2 1 305.378 1.868 20 5 DDBDMP C[NH+](C)C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC000870928359 704172155 /nfs/dbraw/zinc/17/21/55/704172155.db2.gz FEHZBXCNWLIDLK-BLLLJJGKSA-N 2 1 320.393 1.179 20 5 DDBDMP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000880260979 706924117 /nfs/dbraw/zinc/92/41/17/706924117.db2.gz RTYGEYRMSBZDMS-CYBMUJFWSA-N 2 1 316.365 1.397 20 5 DDBDMP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1c1cc[nH+]cc1 ZINC000880260979 706924119 /nfs/dbraw/zinc/92/41/19/706924119.db2.gz RTYGEYRMSBZDMS-CYBMUJFWSA-N 2 1 316.365 1.397 20 5 DDBDMP C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000923336030 714319576 /nfs/dbraw/zinc/31/95/76/714319576.db2.gz UAYDNAZLCAQQLT-UKRRQHHQSA-N 2 1 323.393 1.408 20 5 DDBDMP C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000923336028 714319616 /nfs/dbraw/zinc/31/96/16/714319616.db2.gz UAYDNAZLCAQQLT-HIFRSBDPSA-N 2 1 323.393 1.408 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923359613 714327014 /nfs/dbraw/zinc/32/70/14/714327014.db2.gz SZFDNPSZHFTCGR-MJBXVCDLSA-N 2 1 321.377 1.018 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923359613 714327015 /nfs/dbraw/zinc/32/70/15/714327015.db2.gz SZFDNPSZHFTCGR-MJBXVCDLSA-N 2 1 321.377 1.018 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923359611 714327062 /nfs/dbraw/zinc/32/70/62/714327062.db2.gz SZFDNPSZHFTCGR-MCIONIFRSA-N 2 1 321.377 1.018 20 5 DDBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923359611 714327063 /nfs/dbraw/zinc/32/70/63/714327063.db2.gz SZFDNPSZHFTCGR-MCIONIFRSA-N 2 1 321.377 1.018 20 5 DDBDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001148638505 773561582 /nfs/dbraw/zinc/56/15/82/773561582.db2.gz JFRCOVVNRATUKX-UHFFFAOYSA-N 2 1 308.382 1.142 20 5 DDBDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176972241 778358606 /nfs/dbraw/zinc/35/86/06/778358606.db2.gz SBJKITRMHIXHMC-UHFFFAOYSA-N 2 1 322.409 1.531 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001161867523 867046916 /nfs/dbraw/zinc/04/69/16/867046916.db2.gz IMNIAXRTTHVVDC-UHFFFAOYSA-N 2 1 316.365 1.373 20 5 DDBDMP C[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317459282 871350516 /nfs/dbraw/zinc/35/05/16/871350516.db2.gz LYOGDZGFPBKEQU-UHFFFAOYSA-N 2 1 308.382 1.095 20 5 DDBDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289332 877232886 /nfs/dbraw/zinc/23/28/86/877232886.db2.gz XTBBAZJKTSVQNZ-UKRRQHHQSA-N 2 1 323.393 1.266 20 5 DDBDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610652 896530001 /nfs/dbraw/zinc/53/00/01/896530001.db2.gz MGUOIRDTPNIZHY-HLLBOEOZSA-N 2 1 301.390 1.946 20 5 DDBDMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610652 896530006 /nfs/dbraw/zinc/53/00/06/896530006.db2.gz MGUOIRDTPNIZHY-HLLBOEOZSA-N 2 1 301.390 1.946 20 5 DDBDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610652 896530019 /nfs/dbraw/zinc/53/00/19/896530019.db2.gz MGUOIRDTPNIZHY-HLLBOEOZSA-N 2 1 301.390 1.946 20 5 DDBDMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600724518 358297321 /nfs/dbraw/zinc/29/73/21/358297321.db2.gz AQCWKLTXSKZKEB-UHFFFAOYSA-N 2 1 301.774 1.916 20 5 DDBDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000600724518 358297324 /nfs/dbraw/zinc/29/73/24/358297324.db2.gz AQCWKLTXSKZKEB-UHFFFAOYSA-N 2 1 301.774 1.916 20 5 DDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000566115246 304119931 /nfs/dbraw/zinc/11/99/31/304119931.db2.gz IHSSANDHDBUBME-HZSPNIEDSA-N 2 1 323.393 1.407 20 5 DDBDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000577860252 422444907 /nfs/dbraw/zinc/44/49/07/422444907.db2.gz UJFMDGZNWOVFTE-CQSZACIVSA-N 2 1 320.349 1.129 20 5 DDBDMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130134981 281369158 /nfs/dbraw/zinc/36/91/58/281369158.db2.gz GTVPZKUMVAVMMM-FVQBIDKESA-N 2 1 321.421 1.818 20 5 DDBDMP O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000377945788 302253510 /nfs/dbraw/zinc/25/35/10/302253510.db2.gz QYPQBGIQMRBTAV-SNPRPXQTSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000377945788 302253511 /nfs/dbraw/zinc/25/35/11/302253511.db2.gz QYPQBGIQMRBTAV-SNPRPXQTSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000377945788 302253514 /nfs/dbraw/zinc/25/35/14/302253514.db2.gz QYPQBGIQMRBTAV-SNPRPXQTSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000377945788 302253517 /nfs/dbraw/zinc/25/35/17/302253517.db2.gz QYPQBGIQMRBTAV-SNPRPXQTSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000377945788 302253518 /nfs/dbraw/zinc/25/35/18/302253518.db2.gz QYPQBGIQMRBTAV-SNPRPXQTSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000377945790 302253586 /nfs/dbraw/zinc/25/35/86/302253586.db2.gz QYPQBGIQMRBTAV-YUELXQCFSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000377945790 302253588 /nfs/dbraw/zinc/25/35/88/302253588.db2.gz QYPQBGIQMRBTAV-YUELXQCFSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000377945790 302253590 /nfs/dbraw/zinc/25/35/90/302253590.db2.gz QYPQBGIQMRBTAV-YUELXQCFSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000377945790 302253592 /nfs/dbraw/zinc/25/35/92/302253592.db2.gz QYPQBGIQMRBTAV-YUELXQCFSA-N 2 1 305.382 1.207 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000377945790 302253596 /nfs/dbraw/zinc/25/35/96/302253596.db2.gz QYPQBGIQMRBTAV-YUELXQCFSA-N 2 1 305.382 1.207 20 5 DDBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876916674 705922566 /nfs/dbraw/zinc/92/25/66/705922566.db2.gz XVTHBLQUPOSMHX-XGNXJENSSA-N 2 1 318.381 1.926 20 5 DDBDMP C[NH+]1CCC(C[NH+]2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169042512 762195663 /nfs/dbraw/zinc/19/56/63/762195663.db2.gz FGFUGEJLZPORTE-IRXDYDNUSA-N 2 1 324.469 1.391 20 5 DDBDMP C[C@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C[C@H](C)[NH2+]1 ZINC001158176416 864471243 /nfs/dbraw/zinc/47/12/43/864471243.db2.gz DPUACEPMXUUJOX-WTIVYXKASA-N 2 1 305.382 1.709 20 5 DDBDMP [NH3+]C[C@]1(O)CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246539076 892682881 /nfs/dbraw/zinc/68/28/81/892682881.db2.gz ARMZSUUNGGEQMV-CVEARBPZSA-N 2 1 305.378 1.238 20 5 DDBDMP [NH3+][C@H](c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C1CC[NH2+]CC1 ZINC001249327759 893932384 /nfs/dbraw/zinc/93/23/84/893932384.db2.gz QLXVNEXIEKCGGO-JTQLQIEISA-N 2 1 322.300 1.178 20 5 DDBDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608191 896530359 /nfs/dbraw/zinc/53/03/59/896530359.db2.gz PGQNOMMONJWUSZ-DJIMGWMZSA-N 2 1 301.390 1.946 20 5 DDBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000105476814 353936298 /nfs/dbraw/zinc/93/62/98/353936298.db2.gz YRFCCGMNBASEHX-UHFFFAOYSA-N 2 1 306.410 1.712 20 5 DDBDMP C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404323811 354675996 /nfs/dbraw/zinc/67/59/96/354675996.db2.gz SSAOMUQQOLOUHV-SMDDNHRTSA-N 2 1 320.393 1.643 20 5 DDBDMP C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000404323811 354676000 /nfs/dbraw/zinc/67/60/00/354676000.db2.gz SSAOMUQQOLOUHV-SMDDNHRTSA-N 2 1 320.393 1.643 20 5 DDBDMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591278500 355276897 /nfs/dbraw/zinc/27/68/97/355276897.db2.gz IYIWBAWDINYWCG-NWDGAFQWSA-N 2 1 307.350 1.726 20 5 DDBDMP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000592428483 355580646 /nfs/dbraw/zinc/58/06/46/355580646.db2.gz RDABHRLWNOESMT-GQCTYLIASA-N 2 1 304.394 1.445 20 5 DDBDMP Cn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])n1 ZINC000602851090 359238226 /nfs/dbraw/zinc/23/82/26/359238226.db2.gz YZFZHPFQCADEKR-UHFFFAOYSA-N 2 1 316.365 1.436 20 5 DDBDMP Cn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])n1 ZINC000602851090 359238231 /nfs/dbraw/zinc/23/82/31/359238231.db2.gz YZFZHPFQCADEKR-UHFFFAOYSA-N 2 1 316.365 1.436 20 5 DDBDMP Cn1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c([N+](=O)[O-])n1 ZINC000603429703 359634656 /nfs/dbraw/zinc/63/46/56/359634656.db2.gz PHURJHUKGGHWEX-KGLIPLIRSA-N 2 1 323.397 1.047 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431401 359636029 /nfs/dbraw/zinc/63/60/29/359636029.db2.gz WTRWYUQXPPVKMW-IACUBPJLSA-N 2 1 323.397 1.047 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134916888 162090631 /nfs/dbraw/zinc/09/06/31/162090631.db2.gz KSAGSJCWHRTRND-CZUORRHYSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134916888 162090636 /nfs/dbraw/zinc/09/06/36/162090636.db2.gz KSAGSJCWHRTRND-CZUORRHYSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134916888 162090643 /nfs/dbraw/zinc/09/06/43/162090643.db2.gz KSAGSJCWHRTRND-CZUORRHYSA-N 2 1 319.409 1.740 20 5 DDBDMP O=[N+]([O-])c1cnn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134916888 162090649 /nfs/dbraw/zinc/09/06/49/162090649.db2.gz KSAGSJCWHRTRND-CZUORRHYSA-N 2 1 319.409 1.740 20 5 DDBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414981201 419904850 /nfs/dbraw/zinc/90/48/50/419904850.db2.gz XKFSDMNBLANJGQ-HIFRSBDPSA-N 2 1 306.410 1.409 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CC[NH2+]CC1 ZINC000430605214 420154783 /nfs/dbraw/zinc/15/47/83/420154783.db2.gz QCPOLVDGPSIKNE-UHFFFAOYSA-N 2 1 320.393 1.916 20 5 DDBDMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430605189 420156383 /nfs/dbraw/zinc/15/63/83/420156383.db2.gz QARJNIVNTDMAAJ-ZDUSSCGKSA-N 2 1 320.393 1.855 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430660342 420174511 /nfs/dbraw/zinc/17/45/11/420174511.db2.gz CUXPHEDPWAOQKH-GFCCVEGCSA-N 2 1 309.366 1.653 20 5 DDBDMP COc1ccc(OCC[N@H+]2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430660342 420174514 /nfs/dbraw/zinc/17/45/14/420174514.db2.gz CUXPHEDPWAOQKH-GFCCVEGCSA-N 2 1 309.366 1.653 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000420306756 301868308 /nfs/dbraw/zinc/86/83/08/301868308.db2.gz BBXJLPPCFDPGHN-GOEBONIOSA-N 2 1 318.421 1.944 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000843061136 702810465 /nfs/dbraw/zinc/81/04/65/702810465.db2.gz AAJPSUNNQKQVQC-MRXNPFEDSA-N 2 1 323.393 1.065 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882580879 707706972 /nfs/dbraw/zinc/70/69/72/707706972.db2.gz JANBXEBDMOQICV-NSHDSACASA-N 2 1 313.377 1.813 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882580879 707706975 /nfs/dbraw/zinc/70/69/75/707706975.db2.gz JANBXEBDMOQICV-NSHDSACASA-N 2 1 313.377 1.813 20 5 DDBDMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992058 762165714 /nfs/dbraw/zinc/16/57/14/762165714.db2.gz JFHAJNCAOBBSHF-HIFRSBDPSA-N 2 1 304.394 1.777 20 5 DDBDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130419289 767523616 /nfs/dbraw/zinc/52/36/16/767523616.db2.gz SOOSAMIJULXWTN-UHFFFAOYSA-N 2 1 322.409 1.531 20 5 DDBDMP C[C@H](Nc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@@H]1C[NH2+]CCO1 ZINC001159499417 865355359 /nfs/dbraw/zinc/35/53/59/865355359.db2.gz PXUDDCGYDIRBIR-LNTXQQRLSA-N 2 1 321.381 1.311 20 5 DDBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001334748336 867809221 /nfs/dbraw/zinc/80/92/21/867809221.db2.gz OSEVXSJYWMIWHO-MJBXVCDLSA-N 2 1 307.398 1.719 20 5 DDBDMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001346189728 873640256 /nfs/dbraw/zinc/64/02/56/873640256.db2.gz AMNJTTNWCKTIHE-DZGCQCFKSA-N 2 1 323.393 1.266 20 5 DDBDMP C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1[NH3+] ZINC001246562396 892702093 /nfs/dbraw/zinc/70/20/93/892702093.db2.gz MIHSBMROIOUPIG-MLGOLLRUSA-N 2 1 304.394 1.843 20 5 DDBDMP C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1[NH3+] ZINC001246562396 892702099 /nfs/dbraw/zinc/70/20/99/892702099.db2.gz MIHSBMROIOUPIG-MLGOLLRUSA-N 2 1 304.394 1.843 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000602782905 359187289 /nfs/dbraw/zinc/18/72/89/359187289.db2.gz YFAAWIPWPMGSBV-AWEZNQCLSA-N 2 1 307.398 1.517 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000602782905 359187292 /nfs/dbraw/zinc/18/72/92/359187292.db2.gz YFAAWIPWPMGSBV-AWEZNQCLSA-N 2 1 307.398 1.517 20 5 DDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602796232 359198030 /nfs/dbraw/zinc/19/80/30/359198030.db2.gz WOHWKNOSUCWOKD-TZMCWYRMSA-N 2 1 309.414 1.762 20 5 DDBDMP Cn1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414894881 224415866 /nfs/dbraw/zinc/41/58/66/224415866.db2.gz UVWHGEHOAKCJBN-OAHLLOKOSA-N 2 1 315.377 1.822 20 5 DDBDMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000338224836 306735657 /nfs/dbraw/zinc/73/56/57/306735657.db2.gz GTVPZKUMVAVMMM-NUEKZKHPSA-N 2 1 321.421 1.818 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000420326572 420210207 /nfs/dbraw/zinc/21/02/07/420210207.db2.gz XOQPWJJLOWFRDH-ZIAGYGMSSA-N 2 1 319.409 1.866 20 5 DDBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001120599257 782047131 /nfs/dbraw/zinc/04/71/31/782047131.db2.gz JAOBLRPKSVUMAA-WFASDCNBSA-N 2 1 302.334 1.429 20 5 DDBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229577 274206600 /nfs/dbraw/zinc/20/66/00/274206600.db2.gz BOQYPDNMVQMQED-WCQYABFASA-N 2 1 306.366 1.654 20 5 DDBDMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843348165 702864100 /nfs/dbraw/zinc/86/41/00/702864100.db2.gz ACHTXHSAUMQXGG-SNVBAGLBSA-N 2 1 310.329 1.343 20 5 DDBDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151141246 862645688 /nfs/dbraw/zinc/64/56/88/862645688.db2.gz MODQAIGCYNWRPJ-UHFFFAOYSA-N 2 1 317.349 1.006 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC[NH3+] ZINC000592473862 355593602 /nfs/dbraw/zinc/59/36/02/355593602.db2.gz RYYBTGXPUOSCCY-UHFFFAOYSA-N 2 1 310.354 1.213 20 5 DDBDMP Cc1[nH+]ccn1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963494 359326866 /nfs/dbraw/zinc/32/68/66/359326866.db2.gz WUIVJEHNDZJABR-OAHLLOKOSA-N 2 1 304.350 1.597 20 5 DDBDMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261690499 407580362 /nfs/dbraw/zinc/58/03/62/407580362.db2.gz KSHOIKIJSDMPCN-OAHLLOKOSA-N 2 1 306.366 1.594 20 5 DDBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261846265 407636889 /nfs/dbraw/zinc/63/68/89/407636889.db2.gz ZFQDQPMLGOXDSQ-STQMWFEESA-N 2 1 320.393 1.443 20 5 DDBDMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1O ZINC000263722399 408222796 /nfs/dbraw/zinc/22/27/96/408222796.db2.gz WMDVLVJKGXYVNM-UHFFFAOYSA-N 2 1 320.349 1.994 20 5 DDBDMP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000420325101 420210711 /nfs/dbraw/zinc/21/07/11/420210711.db2.gz IAVIUVKRNWRKJV-UHFFFAOYSA-N 2 1 306.366 1.737 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCC1 ZINC000420325101 420210715 /nfs/dbraw/zinc/21/07/15/420210715.db2.gz IAVIUVKRNWRKJV-UHFFFAOYSA-N 2 1 306.366 1.737 20 5 DDBDMP [NH3+]C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000843345120 702863474 /nfs/dbraw/zinc/86/34/74/702863474.db2.gz UFTYLXVFHJBQHC-UHFFFAOYSA-N 2 1 310.329 1.486 20 5 DDBDMP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C[NH3+])C1CC1 ZINC000843386340 702871157 /nfs/dbraw/zinc/87/11/57/702871157.db2.gz HFKYPGYFSSCQDQ-AWEZNQCLSA-N 2 1 324.356 1.732 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C[NH3+])C1CC1 ZINC000843386340 702871160 /nfs/dbraw/zinc/87/11/60/702871160.db2.gz HFKYPGYFSSCQDQ-AWEZNQCLSA-N 2 1 324.356 1.732 20 5 DDBDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000853798473 704316841 /nfs/dbraw/zinc/31/68/41/704316841.db2.gz HGSJPDOYQCZQSX-UHFFFAOYSA-N 2 1 322.369 1.426 20 5 DDBDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000853798473 704316843 /nfs/dbraw/zinc/31/68/43/704316843.db2.gz HGSJPDOYQCZQSX-UHFFFAOYSA-N 2 1 322.369 1.426 20 5 DDBDMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876989400 705950158 /nfs/dbraw/zinc/95/01/58/705950158.db2.gz XZAWGYNAPMGDJC-HSBZDZAISA-N 2 1 307.398 1.816 20 5 DDBDMP CCO[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C[NH+](C)C ZINC000896877221 708170146 /nfs/dbraw/zinc/17/01/46/708170146.db2.gz IBJLGODHNRYKHU-ORHYLEIMSA-N 2 1 311.386 1.051 20 5 DDBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903757304 711269952 /nfs/dbraw/zinc/26/99/52/711269952.db2.gz BVUIICPYZPHSRV-WBVHZDCISA-N 2 1 319.405 1.838 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903883555 711315887 /nfs/dbraw/zinc/31/58/87/711315887.db2.gz XPQZZZVGMWKXRQ-ZDUSSCGKSA-N 2 1 303.362 1.331 20 5 DDBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000903883555 711315890 /nfs/dbraw/zinc/31/58/90/711315890.db2.gz XPQZZZVGMWKXRQ-ZDUSSCGKSA-N 2 1 303.362 1.331 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196790816 746963505 /nfs/dbraw/zinc/96/35/05/746963505.db2.gz YTYUUFXSIZCLGM-OCCSQVGLSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196790816 746963509 /nfs/dbraw/zinc/96/35/09/746963509.db2.gz YTYUUFXSIZCLGM-OCCSQVGLSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001196790816 746963510 /nfs/dbraw/zinc/96/35/10/746963510.db2.gz YTYUUFXSIZCLGM-OCCSQVGLSA-N 2 1 305.378 1.987 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001196790816 746963514 /nfs/dbraw/zinc/96/35/14/746963514.db2.gz YTYUUFXSIZCLGM-OCCSQVGLSA-N 2 1 305.378 1.987 20 5 DDBDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001148638742 773561690 /nfs/dbraw/zinc/56/16/90/773561690.db2.gz PUQHOQYRLAEZSI-UHFFFAOYSA-N 2 1 308.382 1.142 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c([N+](=O)[O-])n1 ZINC001331757301 865299507 /nfs/dbraw/zinc/29/95/07/865299507.db2.gz NCROMEIXUDEOBG-LBPRGKRZSA-N 2 1 318.381 1.517 20 5 DDBDMP Cn1cc(CN2CCC[C@@H](Cc3nccn3C)C2)c([N+](=O)[O-])n1 ZINC001331757301 865299513 /nfs/dbraw/zinc/29/95/13/865299513.db2.gz NCROMEIXUDEOBG-LBPRGKRZSA-N 2 1 318.381 1.517 20 5 DDBDMP COc1c(O)ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001336735305 869115386 /nfs/dbraw/zinc/11/53/86/869115386.db2.gz MTTIOLZKNYTMKE-JQWIXIFHSA-N 2 1 309.366 1.881 20 5 DDBDMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682137 357684895 /nfs/dbraw/zinc/68/48/95/357684895.db2.gz MDEPJIBVZRUTRE-LRDDRELGSA-N 2 1 318.377 1.737 20 5 DDBDMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000598682137 357684902 /nfs/dbraw/zinc/68/49/02/357684902.db2.gz MDEPJIBVZRUTRE-LRDDRELGSA-N 2 1 318.377 1.737 20 5 DDBDMP C[NH+]1CCC2(CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000602876601 359259734 /nfs/dbraw/zinc/25/97/34/359259734.db2.gz GXDMLILXIQAHOA-UHFFFAOYSA-N 2 1 320.393 1.174 20 5 DDBDMP Cn1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603429021 359635345 /nfs/dbraw/zinc/63/53/45/359635345.db2.gz LBZSJOQUOXGUSR-KGLIPLIRSA-N 2 1 323.397 1.047 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000351848656 410285880 /nfs/dbraw/zinc/28/58/80/410285880.db2.gz DSQAZABOSAZWKU-CHWSQXEVSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1ccc(C[N@H+](C)C2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000353361084 410941412 /nfs/dbraw/zinc/94/14/12/410941412.db2.gz PWIOGMYFFWAGER-UHFFFAOYSA-N 2 1 307.394 1.792 20 5 DDBDMP Cc1ccc(CN(C)C2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000353361084 410941419 /nfs/dbraw/zinc/94/14/19/410941419.db2.gz PWIOGMYFFWAGER-UHFFFAOYSA-N 2 1 307.394 1.792 20 5 DDBDMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430927958 420208204 /nfs/dbraw/zinc/20/82/04/420208204.db2.gz KAQSVTWKPVCXLE-GFCCVEGCSA-N 2 1 320.393 1.853 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000420326569 420210011 /nfs/dbraw/zinc/21/00/11/420210011.db2.gz XOQPWJJLOWFRDH-KBPBESRZSA-N 2 1 319.409 1.866 20 5 DDBDMP Cc1c(NC(=O)CC[NH2+][C@@](C)(C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000430579009 420145083 /nfs/dbraw/zinc/14/50/83/420145083.db2.gz PZFQLSYTTNJQDS-INIZCTEOSA-N 2 1 320.393 1.949 20 5 DDBDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843052955 702809300 /nfs/dbraw/zinc/80/93/00/702809300.db2.gz QGFMBRHGGQYSBQ-UHFFFAOYSA-N 2 1 312.801 1.585 20 5 DDBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886030295 708685074 /nfs/dbraw/zinc/68/50/74/708685074.db2.gz ITTPDVFKTDVKAX-OAHLLOKOSA-N 2 1 322.409 1.923 20 5 DDBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886030295 708685077 /nfs/dbraw/zinc/68/50/77/708685077.db2.gz ITTPDVFKTDVKAX-OAHLLOKOSA-N 2 1 322.409 1.923 20 5 DDBDMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886839510 708859050 /nfs/dbraw/zinc/85/90/50/708859050.db2.gz GGXUSUGGHICDIE-LSDHHAIUSA-N 2 1 320.393 1.708 20 5 DDBDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146718835 772926087 /nfs/dbraw/zinc/92/60/87/772926087.db2.gz HGNNDRNLCYSWOU-UHFFFAOYSA-N 2 1 308.382 1.142 20 5 DDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358257076 299108970 /nfs/dbraw/zinc/10/89/70/299108970.db2.gz TXTMOXWINZNAPN-XJKSGUPXSA-N 2 1 307.394 1.572 20 5 DDBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358257076 299108974 /nfs/dbraw/zinc/10/89/74/299108974.db2.gz TXTMOXWINZNAPN-XJKSGUPXSA-N 2 1 307.394 1.572 20 5 DDBDMP O=C(CC[N@H+]1CCn2cncc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000590599738 355125829 /nfs/dbraw/zinc/12/58/29/355125829.db2.gz MTKJJGPUVCAOQG-UHFFFAOYSA-N 2 1 315.333 1.636 20 5 DDBDMP O=C(CCN1CCn2cncc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000590599738 355125830 /nfs/dbraw/zinc/12/58/30/355125830.db2.gz MTKJJGPUVCAOQG-UHFFFAOYSA-N 2 1 315.333 1.636 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000591284930 355278860 /nfs/dbraw/zinc/27/88/60/355278860.db2.gz ACRFJDBJZFVPMF-CVEARBPZSA-N 2 1 317.389 1.795 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000602848027 359235746 /nfs/dbraw/zinc/23/57/46/359235746.db2.gz YMFUGCNRFUKYGE-UHFFFAOYSA-N 2 1 316.365 1.399 20 5 DDBDMP COc1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000351501986 284349063 /nfs/dbraw/zinc/34/90/63/284349063.db2.gz YQKLZXUMUABKEY-FPMFFAJLSA-N 2 1 321.377 1.651 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352540088 285127120 /nfs/dbraw/zinc/12/71/20/285127120.db2.gz GXUCPHPQVZWUGE-MRXNPFEDSA-N 2 1 304.394 1.383 20 5 DDBDMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000569833427 304381159 /nfs/dbraw/zinc/38/11/59/304381159.db2.gz HUJQMZAGXXFPTK-UONOGXRCSA-N 2 1 318.381 1.841 20 5 DDBDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178674103 407540352 /nfs/dbraw/zinc/54/03/52/407540352.db2.gz VFBHUMGLXGZOMM-CYBMUJFWSA-N 2 1 320.393 1.410 20 5 DDBDMP CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000178863962 407631234 /nfs/dbraw/zinc/63/12/34/407631234.db2.gz DEWIOKVQXNOGIW-CJNGLKHVSA-N 2 1 307.394 1.902 20 5 DDBDMP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH+](C)C1 ZINC000178863962 407631237 /nfs/dbraw/zinc/63/12/37/407631237.db2.gz DEWIOKVQXNOGIW-CJNGLKHVSA-N 2 1 307.394 1.902 20 5 DDBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH+](C)C1 ZINC000178863962 407631244 /nfs/dbraw/zinc/63/12/44/407631244.db2.gz DEWIOKVQXNOGIW-CJNGLKHVSA-N 2 1 307.394 1.902 20 5 DDBDMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CN ZINC000420283563 420181755 /nfs/dbraw/zinc/18/17/55/420181755.db2.gz CDIYZEASHPRQLL-DOMZBBRYSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000420283563 420181759 /nfs/dbraw/zinc/18/17/59/420181759.db2.gz CDIYZEASHPRQLL-DOMZBBRYSA-N 2 1 320.393 1.983 20 5 DDBDMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C[NH3+] ZINC000420283563 420181763 /nfs/dbraw/zinc/18/17/63/420181763.db2.gz CDIYZEASHPRQLL-DOMZBBRYSA-N 2 1 320.393 1.983 20 5 DDBDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420393351 420258437 /nfs/dbraw/zinc/25/84/37/420258437.db2.gz XNMAKNRYYJFIOJ-UHFFFAOYSA-N 2 1 324.381 1.473 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000442767114 420712163 /nfs/dbraw/zinc/71/21/63/420712163.db2.gz MBTKIHXGUKKKBQ-YPMHNXCESA-N 2 1 320.393 1.901 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000876939559 705931259 /nfs/dbraw/zinc/93/12/59/705931259.db2.gz HNYFZIZGPYOROO-ZIHBUVQPSA-N 2 1 305.382 1.711 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)C1 ZINC000886839509 708858656 /nfs/dbraw/zinc/85/86/56/708858656.db2.gz GGXUSUGGHICDIE-HUUCEWRRSA-N 2 1 320.393 1.708 20 5 DDBDMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169023709 762201301 /nfs/dbraw/zinc/20/13/01/762201301.db2.gz PUTAORSXNHZTNF-OLZOCXBDSA-N 2 1 310.398 1.562 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N[C@H]2C[NH2+]CC[C@H]2F)ncc1[N+](=O)[O-] ZINC001157449931 863826730 /nfs/dbraw/zinc/82/67/30/863826730.db2.gz BMOPLFNVCKFOOB-XCOQAZTISA-N 2 1 309.345 1.634 20 5 DDBDMP C[NH+](C)/C=C\c1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165147386 869408031 /nfs/dbraw/zinc/40/80/31/869408031.db2.gz FKAQKHXNOFFWIL-MRYXHSKJSA-N 2 1 317.393 1.520 20 5 DDBDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602780038 359186156 /nfs/dbraw/zinc/18/61/56/359186156.db2.gz DPGMRZLHPXVURH-CQSZACIVSA-N 2 1 309.414 1.763 20 5 DDBDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602780038 359186160 /nfs/dbraw/zinc/18/61/60/359186160.db2.gz DPGMRZLHPXVURH-CQSZACIVSA-N 2 1 309.414 1.763 20 5 DDBDMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000289421946 409268522 /nfs/dbraw/zinc/26/85/22/409268522.db2.gz JFROFMJOLUGPEJ-UHFFFAOYSA-N 2 1 320.437 1.973 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351851640 410290068 /nfs/dbraw/zinc/29/00/68/410290068.db2.gz LRHNAMISFYWDLD-QWHCGFSZSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000359908641 410945392 /nfs/dbraw/zinc/94/53/92/410945392.db2.gz XQAPAVZJFPUVNL-HNNXBMFYSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](CN)C1CC1 ZINC000359908641 410945396 /nfs/dbraw/zinc/94/53/96/410945396.db2.gz XQAPAVZJFPUVNL-HNNXBMFYSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359908641 410945399 /nfs/dbraw/zinc/94/53/99/410945399.db2.gz XQAPAVZJFPUVNL-HNNXBMFYSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359908641 410945405 /nfs/dbraw/zinc/94/54/05/410945405.db2.gz XQAPAVZJFPUVNL-HNNXBMFYSA-N 2 1 320.393 1.901 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000420326571 420211232 /nfs/dbraw/zinc/21/12/32/420211232.db2.gz XOQPWJJLOWFRDH-UONOGXRCSA-N 2 1 319.409 1.866 20 5 DDBDMP [NH3+]CCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420365715 420239491 /nfs/dbraw/zinc/23/94/91/420239491.db2.gz FGAPCBDSNMIXDS-UHFFFAOYSA-N 2 1 318.381 1.332 20 5 DDBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065773 229988304 /nfs/dbraw/zinc/98/83/04/229988304.db2.gz CRPMLZFNSRDGPR-CHWSQXEVSA-N 2 1 320.393 1.983 20 5 DDBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001120599254 782047622 /nfs/dbraw/zinc/04/76/22/782047622.db2.gz JAOBLRPKSVUMAA-DOMZBBRYSA-N 2 1 302.334 1.429 20 5 DDBDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@H]1[NH3+] ZINC000843353690 702865203 /nfs/dbraw/zinc/86/52/03/702865203.db2.gz MXRDREDUEFAZAB-ZWNOBZJWSA-N 2 1 324.356 1.732 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439820 714098617 /nfs/dbraw/zinc/09/86/17/714098617.db2.gz ONZCVWNFGRTWCP-IJEWVQPXSA-N 2 1 305.378 1.512 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931439820 714098618 /nfs/dbraw/zinc/09/86/18/714098618.db2.gz ONZCVWNFGRTWCP-IJEWVQPXSA-N 2 1 305.378 1.512 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370497 714331154 /nfs/dbraw/zinc/33/11/54/714331154.db2.gz PHLSTBNHCOKJCQ-UNIGVISCSA-N 2 1 323.393 1.311 20 5 DDBDMP Cc1nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155364322 861997851 /nfs/dbraw/zinc/99/78/51/861997851.db2.gz YAQLQFIKESAOMP-CYBMUJFWSA-N 2 1 305.382 1.158 20 5 DDBDMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489678 355598564 /nfs/dbraw/zinc/59/85/64/355598564.db2.gz ZMKOUBPUZMGZFT-QWHCGFSZSA-N 2 1 320.393 1.983 20 5 DDBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000592493427 355600280 /nfs/dbraw/zinc/60/02/80/355600280.db2.gz QGVWUKDPHLDUMX-KGLIPLIRSA-N 2 1 307.398 1.503 20 5 DDBDMP Cc1[nH+]ccn1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602963493 359326753 /nfs/dbraw/zinc/32/67/53/359326753.db2.gz WUIVJEHNDZJABR-HNNXBMFYSA-N 2 1 304.350 1.597 20 5 DDBDMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000261637218 407562697 /nfs/dbraw/zinc/56/26/97/407562697.db2.gz FZJQGERRMKWJKZ-HNNXBMFYSA-N 2 1 306.366 1.594 20 5 DDBDMP Cn1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414894880 419864503 /nfs/dbraw/zinc/86/45/03/419864503.db2.gz UVWHGEHOAKCJBN-HNNXBMFYSA-N 2 1 315.377 1.822 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000420303751 420194191 /nfs/dbraw/zinc/19/41/91/420194191.db2.gz DFXXIWHZRZYGKO-ZDUSSCGKSA-N 2 1 320.393 1.997 20 5 DDBDMP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000420312958 420201093 /nfs/dbraw/zinc/20/10/93/420201093.db2.gz JHWRWCLHTCGQOY-CQSZACIVSA-N 2 1 306.366 1.593 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1 ZINC000420312958 420201097 /nfs/dbraw/zinc/20/10/97/420201097.db2.gz JHWRWCLHTCGQOY-CQSZACIVSA-N 2 1 306.366 1.593 20 5 DDBDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000430940741 420215240 /nfs/dbraw/zinc/21/52/40/420215240.db2.gz QVIWFIOZHAPQQT-NEPJUHHUSA-N 2 1 306.366 1.593 20 5 DDBDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000420391298 420257835 /nfs/dbraw/zinc/25/78/35/420257835.db2.gz RXRKDVFVJUGOAQ-UHFFFAOYSA-N 2 1 308.382 1.773 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430946077 420218481 /nfs/dbraw/zinc/21/84/81/420218481.db2.gz YYXIOKUZANYTAX-OCCSQVGLSA-N 2 1 320.393 1.901 20 5 DDBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000530869160 303217888 /nfs/dbraw/zinc/21/78/88/303217888.db2.gz OCYFRNAJURALEO-UHFFFAOYSA-N 2 1 309.414 1.881 20 5 DDBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000530869160 303217890 /nfs/dbraw/zinc/21/78/90/303217890.db2.gz OCYFRNAJURALEO-UHFFFAOYSA-N 2 1 309.414 1.881 20 5 DDBDMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281113 714295651 /nfs/dbraw/zinc/29/56/51/714295651.db2.gz DTGMELIDBOCADU-UKRRQHHQSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923281113 714295652 /nfs/dbraw/zinc/29/56/52/714295652.db2.gz DTGMELIDBOCADU-UKRRQHHQSA-N 2 1 323.393 1.266 20 5 DDBDMP C[C@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)n1 ZINC001169234354 762293434 /nfs/dbraw/zinc/29/34/34/762293434.db2.gz HPXICHIDRHPOPW-JTQLQIEISA-N 2 1 301.350 1.788 20 5 DDBDMP C[C@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)n1 ZINC001169234354 762293438 /nfs/dbraw/zinc/29/34/38/762293438.db2.gz HPXICHIDRHPOPW-JTQLQIEISA-N 2 1 301.350 1.788 20 5 DDBDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151147506 862651682 /nfs/dbraw/zinc/65/16/82/862651682.db2.gz OZIWJOWHPAAMRP-UHFFFAOYSA-N 2 1 317.349 1.006 20 5 DDBDMP O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC001335898630 868606207 /nfs/dbraw/zinc/60/62/07/868606207.db2.gz UIYGMHPBOGOMOL-HNNXBMFYSA-N 2 1 308.382 1.053 20 5 DDBDMP CCO[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593736539 355980876 /nfs/dbraw/zinc/98/08/76/355980876.db2.gz ATYDZNWQPFDTNV-IUODEOHRSA-N 2 1 309.366 1.269 20 5 DDBDMP CCO[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593736539 355980880 /nfs/dbraw/zinc/98/08/80/355980880.db2.gz ATYDZNWQPFDTNV-IUODEOHRSA-N 2 1 309.366 1.269 20 5 DDBDMP C[N@H+](CCOCC[NH3+])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600778428 358313938 /nfs/dbraw/zinc/31/39/38/358313938.db2.gz ZBCAQBZVKWWOES-UHFFFAOYSA-N 2 1 319.308 1.603 20 5 DDBDMP C[N@@H+](CCOCC[NH3+])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600778428 358313939 /nfs/dbraw/zinc/31/39/39/358313939.db2.gz ZBCAQBZVKWWOES-UHFFFAOYSA-N 2 1 319.308 1.603 20 5 DDBDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603908 408026241 /nfs/dbraw/zinc/02/62/41/408026241.db2.gz XKLIMMWUUVNKCH-DZGCQCFKSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[N@H+]1CC[C@@H]([NH+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603908 408026249 /nfs/dbraw/zinc/02/62/49/408026249.db2.gz XKLIMMWUUVNKCH-DZGCQCFKSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603908 408026254 /nfs/dbraw/zinc/02/62/54/408026254.db2.gz XKLIMMWUUVNKCH-DZGCQCFKSA-N 2 1 322.409 1.419 20 5 DDBDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000245603908 408026259 /nfs/dbraw/zinc/02/62/59/408026259.db2.gz XKLIMMWUUVNKCH-DZGCQCFKSA-N 2 1 322.409 1.419 20 5 DDBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430961965 420224050 /nfs/dbraw/zinc/22/40/50/420224050.db2.gz GGDPANIGNHJWAH-LLVKDONJSA-N 2 1 322.365 1.213 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396956 420261075 /nfs/dbraw/zinc/26/10/75/420261075.db2.gz FMXUGTIKASRLQR-QWHCGFSZSA-N 2 1 323.393 1.899 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420396956 420261079 /nfs/dbraw/zinc/26/10/79/420261079.db2.gz FMXUGTIKASRLQR-QWHCGFSZSA-N 2 1 323.393 1.899 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000576766227 308338407 /nfs/dbraw/zinc/33/84/07/308338407.db2.gz TUKSKCSBKIQOMS-NEPJUHHUSA-N 2 1 309.366 1.794 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000576766227 308338408 /nfs/dbraw/zinc/33/84/08/308338408.db2.gz TUKSKCSBKIQOMS-NEPJUHHUSA-N 2 1 309.366 1.794 20 5 DDBDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001332981829 866307879 /nfs/dbraw/zinc/30/78/79/866307879.db2.gz PIMSAEHWNHVDOJ-FWIFWCIWSA-N 2 1 307.398 1.957 20 5 DDBDMP COc1c(O)ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001336735303 869115130 /nfs/dbraw/zinc/11/51/30/869115130.db2.gz MTTIOLZKNYTMKE-CMPLNLGQSA-N 2 1 309.366 1.881 20 5 DDBDMP CC(C)[N@@H+](C)C[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000595475373 356508816 /nfs/dbraw/zinc/50/88/16/356508816.db2.gz JFIRGSNUORJFAK-MRXNPFEDSA-N 2 1 309.410 1.770 20 5 DDBDMP Cn1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000603429020 359634799 /nfs/dbraw/zinc/63/47/99/359634799.db2.gz LBZSJOQUOXGUSR-KBPBESRZSA-N 2 1 323.397 1.047 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431399 359636192 /nfs/dbraw/zinc/63/61/92/359636192.db2.gz WTRWYUQXPPVKMW-FPMFFAJLSA-N 2 1 323.397 1.047 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000359305457 410593672 /nfs/dbraw/zinc/59/36/72/410593672.db2.gz LCIQGKZSBDLDPQ-BETUJISGSA-N 2 1 318.377 1.383 20 5 DDBDMP COc1ccc(OCC[NH2+][C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000430562469 420139449 /nfs/dbraw/zinc/13/94/49/420139449.db2.gz RMYGMIGXXZPZGK-OAHLLOKOSA-N 2 1 309.366 1.699 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)nc1 ZINC000420308533 420197034 /nfs/dbraw/zinc/19/70/34/420197034.db2.gz CUOUJDGEUJPWEE-OLZOCXBDSA-N 2 1 305.382 1.476 20 5 DDBDMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420328732 420213609 /nfs/dbraw/zinc/21/36/09/420213609.db2.gz MXDIODHGKQLLPH-OAHLLOKOSA-N 2 1 319.405 1.825 20 5 DDBDMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000443062705 420740891 /nfs/dbraw/zinc/74/08/91/420740891.db2.gz VCXVVPCQWNQHNM-CYBMUJFWSA-N 2 1 320.393 1.984 20 5 DDBDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397318189 302353186 /nfs/dbraw/zinc/35/31/86/302353186.db2.gz MCIQNUJOSRLGSM-GYSYKLTISA-N 2 1 320.393 1.499 20 5 DDBDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397318189 302353188 /nfs/dbraw/zinc/35/31/88/302353188.db2.gz MCIQNUJOSRLGSM-GYSYKLTISA-N 2 1 320.393 1.499 20 5 DDBDMP CN(CC[N@H+](C)C1CC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870928108 704172283 /nfs/dbraw/zinc/17/22/83/704172283.db2.gz DXGVAHGXBNLCKV-MRXNPFEDSA-N 2 1 320.393 1.321 20 5 DDBDMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000870928108 704172286 /nfs/dbraw/zinc/17/22/86/704172286.db2.gz DXGVAHGXBNLCKV-MRXNPFEDSA-N 2 1 320.393 1.321 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000923481400 714370057 /nfs/dbraw/zinc/37/00/57/714370057.db2.gz IYGHHHZYQJMOFB-LBPRGKRZSA-N 2 1 309.366 1.653 20 5 DDBDMP C[N@@H+]1CCc2c(N[C@H]3C[NH2+]CC[C@H]3F)ccc([N+](=O)[O-])c2C1 ZINC001168231887 741834205 /nfs/dbraw/zinc/83/42/05/741834205.db2.gz UOBNDNHVXQNVNU-OCCSQVGLSA-N 2 1 308.357 1.695 20 5 DDBDMP C[N@H+]1CCc2c(N[C@H]3C[NH2+]CC[C@H]3F)ccc([N+](=O)[O-])c2C1 ZINC001168231887 741834211 /nfs/dbraw/zinc/83/42/11/741834211.db2.gz UOBNDNHVXQNVNU-OCCSQVGLSA-N 2 1 308.357 1.695 20 5 DDBDMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001336022416 868684377 /nfs/dbraw/zinc/68/43/77/868684377.db2.gz XYWIZRYWSFNJMA-CZUORRHYSA-N 2 1 307.394 1.950 20 5 DDBDMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246547578 892688603 /nfs/dbraw/zinc/68/86/03/892688603.db2.gz DRVDCYRJEVATCU-MLGOLLRUSA-N 2 1 304.394 1.985 20 5 DDBDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246547578 892688612 /nfs/dbraw/zinc/68/86/12/892688612.db2.gz DRVDCYRJEVATCU-MLGOLLRUSA-N 2 1 304.394 1.985 20 5 DDBDMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556733 892693515 /nfs/dbraw/zinc/69/35/15/892693515.db2.gz FXGISZZZJXYNPZ-TZMCWYRMSA-N 2 1 311.332 1.978 20 5 DDBDMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556733 892693518 /nfs/dbraw/zinc/69/35/18/892693518.db2.gz FXGISZZZJXYNPZ-TZMCWYRMSA-N 2 1 311.332 1.978 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCN(CCC[NH3+])CC1 ZINC001254539155 896494221 /nfs/dbraw/zinc/49/42/21/896494221.db2.gz GHWHUODXPREBRZ-CQSZACIVSA-N 2 1 306.410 1.492 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001254548206 896498873 /nfs/dbraw/zinc/49/88/73/896498873.db2.gz LFQGIEMRFGUBKI-SUMWQHHRSA-N 2 1 318.421 1.539 20 5 DDBDMP COCC[NH+]1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254580084 896513365 /nfs/dbraw/zinc/51/33/65/896513365.db2.gz BEBNLOTWAVQWMQ-MRXNPFEDSA-N 2 1 319.405 1.762 20 5 DDBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1[N+](=O)[O-] ZINC000174728384 198376363 /nfs/dbraw/zinc/37/63/63/198376363.db2.gz QYACRKKTFVCQGE-UHFFFAOYSA-N 2 1 306.410 1.664 20 5 DDBDMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602585652 359057074 /nfs/dbraw/zinc/05/70/74/359057074.db2.gz HVSUQNIZJHCWMZ-UHFFFAOYSA-N 2 1 307.394 1.920 20 5 DDBDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000414789837 224395119 /nfs/dbraw/zinc/39/51/19/224395119.db2.gz OTLBHYPXWCQDFL-AWEZNQCLSA-N 2 1 305.378 1.782 20 5 DDBDMP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261818990 407626177 /nfs/dbraw/zinc/62/61/77/407626177.db2.gz HFCPXORFWQMPAC-FPMFFAJLSA-N 2 1 318.377 1.253 20 5 DDBDMP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000261818990 407626182 /nfs/dbraw/zinc/62/61/82/407626182.db2.gz HFCPXORFWQMPAC-FPMFFAJLSA-N 2 1 318.377 1.253 20 5 DDBDMP NC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261954479 407689742 /nfs/dbraw/zinc/68/97/42/407689742.db2.gz NRVTZCZGEQFDHV-NSHDSACASA-N 2 1 306.366 1.255 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035318 419795642 /nfs/dbraw/zinc/79/56/42/419795642.db2.gz PMQMAVSBABTACJ-CHWSQXEVSA-N 2 1 318.377 1.607 20 5 DDBDMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000428035318 419795648 /nfs/dbraw/zinc/79/56/48/419795648.db2.gz PMQMAVSBABTACJ-CHWSQXEVSA-N 2 1 318.377 1.607 20 5 DDBDMP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414935424 419881852 /nfs/dbraw/zinc/88/18/52/419881852.db2.gz YLVDDPWAYQVLDL-NWDGAFQWSA-N 2 1 309.366 1.972 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000449090842 420946280 /nfs/dbraw/zinc/94/62/80/420946280.db2.gz HQIFOLDDSJBVQI-CQSZACIVSA-N 2 1 321.421 1.962 20 5 DDBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000519659631 421714301 /nfs/dbraw/zinc/71/43/01/421714301.db2.gz XIYRINPFFLKADM-CQSZACIVSA-N 2 1 305.378 1.782 20 5 DDBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571773015 308201983 /nfs/dbraw/zinc/20/19/83/308201983.db2.gz VNCBMWOVCGFFFK-VXGBXAGGSA-N 2 1 306.366 1.735 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(F)c1 ZINC000262438847 698469892 /nfs/dbraw/zinc/46/98/92/698469892.db2.gz GODDMBIPIZXDQC-AWEZNQCLSA-N 2 1 308.357 1.213 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(F)c1 ZINC000262438847 698469895 /nfs/dbraw/zinc/46/98/95/698469895.db2.gz GODDMBIPIZXDQC-AWEZNQCLSA-N 2 1 308.357 1.213 20 5 DDBDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819366329 704113829 /nfs/dbraw/zinc/11/38/29/704113829.db2.gz NQSBIIRDCYGHPQ-XJKSGUPXSA-N 2 1 307.394 1.950 20 5 DDBDMP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)[NH3+] ZINC000852753758 704115173 /nfs/dbraw/zinc/11/51/73/704115173.db2.gz HUCOOCMSFPFOLO-UHFFFAOYSA-N 2 1 312.345 1.732 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)[NH3+] ZINC000852753758 704115175 /nfs/dbraw/zinc/11/51/75/704115175.db2.gz HUCOOCMSFPFOLO-UHFFFAOYSA-N 2 1 312.345 1.732 20 5 DDBDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000923370495 714330966 /nfs/dbraw/zinc/33/09/66/714330966.db2.gz PHLSTBNHCOKJCQ-HLSYRSCKSA-N 2 1 323.393 1.311 20 5 DDBDMP C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C[NH3+] ZINC000923497703 714378698 /nfs/dbraw/zinc/37/86/98/714378698.db2.gz CMVOTGKBZAZCKN-CHWSQXEVSA-N 2 1 320.393 1.474 20 5 DDBDMP C[C@@H](OCC[N+](C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224772681 881528863 /nfs/dbraw/zinc/52/88/63/881528863.db2.gz BPFBQZSDQDQDDC-AEFFLSMTSA-N 2 1 307.458 1.999 20 5 DDBDMP C[C@@H](OCC[N+](C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224772681 881528870 /nfs/dbraw/zinc/52/88/70/881528870.db2.gz BPFBQZSDQDQDDC-AEFFLSMTSA-N 2 1 307.458 1.999 20 5 DDBDMP [NH3+][C@@]12CC[C@@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865055 892953973 /nfs/dbraw/zinc/95/39/73/892953973.db2.gz XVZNMKRVJWRGNR-CXAGYDPISA-N 2 1 316.405 1.987 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+](C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595903466 356699214 /nfs/dbraw/zinc/69/92/14/356699214.db2.gz WXCLBWIFMVLITM-UHFFFAOYSA-N 2 1 308.382 1.901 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+](C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595903466 356699220 /nfs/dbraw/zinc/69/92/20/356699220.db2.gz WXCLBWIFMVLITM-UHFFFAOYSA-N 2 1 308.382 1.901 20 5 DDBDMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085337 409860128 /nfs/dbraw/zinc/86/01/28/409860128.db2.gz SJXPOLMLWOOTEW-OLZOCXBDSA-N 2 1 318.377 1.465 20 5 DDBDMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357085337 409860135 /nfs/dbraw/zinc/86/01/35/409860135.db2.gz SJXPOLMLWOOTEW-OLZOCXBDSA-N 2 1 318.377 1.465 20 5 DDBDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430573985 420144166 /nfs/dbraw/zinc/14/41/66/420144166.db2.gz RRAIQXGFJNZFBM-OLZOCXBDSA-N 2 1 320.393 1.983 20 5 DDBDMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000261938690 698445900 /nfs/dbraw/zinc/44/59/00/698445900.db2.gz UJVQDNALNCESBM-CQSZACIVSA-N 2 1 320.393 1.083 20 5 DDBDMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000843355745 702865439 /nfs/dbraw/zinc/86/54/39/702865439.db2.gz ISWHJNGVZYWGFX-OAHLLOKOSA-N 2 1 324.356 1.780 20 5 DDBDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819366327 704113817 /nfs/dbraw/zinc/11/38/17/704113817.db2.gz NQSBIIRDCYGHPQ-CJNGLKHVSA-N 2 1 307.394 1.950 20 5 DDBDMP COCC[NH+]1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876986766 705949487 /nfs/dbraw/zinc/94/94/87/705949487.db2.gz KLZBLWWVKZDCID-UHFFFAOYSA-N 2 1 323.397 1.195 20 5 DDBDMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095724 714000188 /nfs/dbraw/zinc/00/01/88/714000188.db2.gz ZIPZVSWCJNWQLT-INIZCTEOSA-N 2 1 322.409 1.652 20 5 DDBDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095724 714000192 /nfs/dbraw/zinc/00/01/92/714000192.db2.gz ZIPZVSWCJNWQLT-INIZCTEOSA-N 2 1 322.409 1.652 20 5 DDBDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095724 714000195 /nfs/dbraw/zinc/00/01/95/714000195.db2.gz ZIPZVSWCJNWQLT-INIZCTEOSA-N 2 1 322.409 1.652 20 5 DDBDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)ccn1 ZINC000931095724 714000199 /nfs/dbraw/zinc/00/01/99/714000199.db2.gz ZIPZVSWCJNWQLT-INIZCTEOSA-N 2 1 322.409 1.652 20 5 DDBDMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282766 714297031 /nfs/dbraw/zinc/29/70/31/714297031.db2.gz QDOUDZIFZOLSPF-ZIAGYGMSSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923282766 714297033 /nfs/dbraw/zinc/29/70/33/714297033.db2.gz QDOUDZIFZOLSPF-ZIAGYGMSSA-N 2 1 323.393 1.266 20 5 DDBDMP C[NH+](C)C=Cc1cc(NC(=N)SCC[NH3+])ncc1[N+](=O)[O-] ZINC001157130704 863602608 /nfs/dbraw/zinc/60/26/08/863602608.db2.gz LCRZPULSIQVOMT-HWKANZROSA-N 2 1 310.383 1.561 20 5 DDBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)C2 ZINC001246929206 892996725 /nfs/dbraw/zinc/99/67/25/892996725.db2.gz CQDUFQYKPZINTD-VBQJREDUSA-N 2 1 301.390 1.993 20 5 DDBDMP Cn1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c([N+](=O)[O-])n1 ZINC000603429702 359635534 /nfs/dbraw/zinc/63/55/34/359635534.db2.gz PHURJHUKGGHWEX-KBPBESRZSA-N 2 1 323.397 1.047 20 5 DDBDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178674092 407540055 /nfs/dbraw/zinc/54/00/55/407540055.db2.gz VFBHUMGLXGZOMM-ZDUSSCGKSA-N 2 1 320.393 1.410 20 5 DDBDMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000414935432 419880886 /nfs/dbraw/zinc/88/08/86/419880886.db2.gz YLVDDPWAYQVLDL-VXGBXAGGSA-N 2 1 309.366 1.972 20 5 DDBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000420274573 420177188 /nfs/dbraw/zinc/17/71/88/420177188.db2.gz OXPGLWPJCFRKFH-UHFFFAOYSA-N 2 1 306.366 1.607 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942891 420217857 /nfs/dbraw/zinc/21/78/57/420217857.db2.gz FECVLBHKDMLODU-YPMHNXCESA-N 2 1 309.366 1.651 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430942891 420217860 /nfs/dbraw/zinc/21/78/60/420217860.db2.gz FECVLBHKDMLODU-YPMHNXCESA-N 2 1 309.366 1.651 20 5 DDBDMP COc1ccc(OCC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000442762639 420710044 /nfs/dbraw/zinc/71/00/44/420710044.db2.gz CHMFMQNCAHBPMN-RYUDHWBXSA-N 2 1 309.366 1.651 20 5 DDBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442795756 420717641 /nfs/dbraw/zinc/71/76/41/420717641.db2.gz VJWZDSJLGQXCTP-RYUDHWBXSA-N 2 1 306.366 1.593 20 5 DDBDMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000127941964 281291997 /nfs/dbraw/zinc/29/19/97/281291997.db2.gz RYGHBQMGCUWPDE-UHFFFAOYSA-N 2 1 320.393 1.949 20 5 DDBDMP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262073043 698453190 /nfs/dbraw/zinc/45/31/90/698453190.db2.gz CVDHYRHUPSMAMV-WMHVBEDNSA-N 2 1 316.405 1.588 20 5 DDBDMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843349231 702864186 /nfs/dbraw/zinc/86/41/86/702864186.db2.gz NLQKJMDMLCBADG-NSHDSACASA-N 2 1 324.356 1.604 20 5 DDBDMP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000876939557 705931201 /nfs/dbraw/zinc/93/12/01/705931201.db2.gz HNYFZIZGPYOROO-NELGMTEASA-N 2 1 305.382 1.711 20 5 DDBDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000872152069 707304937 /nfs/dbraw/zinc/30/49/37/707304937.db2.gz LHYMPYWZIULDAU-BLLLJJGKSA-N 2 1 318.377 1.465 20 5 DDBDMP C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C[NH3+] ZINC000923497706 714378616 /nfs/dbraw/zinc/37/86/16/714378616.db2.gz CMVOTGKBZAZCKN-STQMWFEESA-N 2 1 320.393 1.474 20 5 DDBDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001146719303 772925619 /nfs/dbraw/zinc/92/56/19/772925619.db2.gz PHWVPVXVIZSMIV-UHFFFAOYSA-N 2 1 314.411 1.204 20 5 DDBDMP CC(C)[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001329489999 863694310 /nfs/dbraw/zinc/69/43/10/863694310.db2.gz BNJCHAVHDRUICK-UHFFFAOYSA-N 2 1 320.393 1.237 20 5 DDBDMP CC(C)[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001329489999 863694315 /nfs/dbraw/zinc/69/43/15/863694315.db2.gz BNJCHAVHDRUICK-UHFFFAOYSA-N 2 1 320.393 1.237 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001161870420 867053440 /nfs/dbraw/zinc/05/34/40/867053440.db2.gz INQYWTORVWQIAU-UHFFFAOYSA-N 2 1 315.377 1.978 20 5 DDBDMP [NH3+]C[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556731 892695355 /nfs/dbraw/zinc/69/53/55/892695355.db2.gz FXGISZZZJXYNPZ-JSGCOSHPSA-N 2 1 311.332 1.978 20 5 DDBDMP [NH3+]C[C@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001246556731 892695364 /nfs/dbraw/zinc/69/53/64/892695364.db2.gz FXGISZZZJXYNPZ-JSGCOSHPSA-N 2 1 311.332 1.978 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246559073 892698984 /nfs/dbraw/zinc/69/89/84/892698984.db2.gz NFEMFNYYOHHEDD-CJNGLKHVSA-N 2 1 307.394 1.702 20 5 DDBDMP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001246564300 892700748 /nfs/dbraw/zinc/70/07/48/892700748.db2.gz XHKYEOACEBKMRH-CVEARBPZSA-N 2 1 305.378 1.238 20 5 DDBDMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254593924 896520629 /nfs/dbraw/zinc/52/06/29/896520629.db2.gz BVAXPPUIXVAPFT-UKPHBRMFSA-N 2 1 301.390 1.946 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254593924 896520635 /nfs/dbraw/zinc/52/06/35/896520635.db2.gz BVAXPPUIXVAPFT-UKPHBRMFSA-N 2 1 301.390 1.946 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254593924 896520647 /nfs/dbraw/zinc/52/06/47/896520647.db2.gz BVAXPPUIXVAPFT-UKPHBRMFSA-N 2 1 301.390 1.946 20 5 DDBDMP Cc1c(NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000600736688 358301769 /nfs/dbraw/zinc/30/17/69/358301769.db2.gz ROZDVDPAYDWMLK-LBPRGKRZSA-N 2 1 324.381 1.137 20 5 DDBDMP Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000600736688 358301772 /nfs/dbraw/zinc/30/17/72/358301772.db2.gz ROZDVDPAYDWMLK-LBPRGKRZSA-N 2 1 324.381 1.137 20 5 DDBDMP O=[N+]([O-])c1ccc(CC[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000602552550 359041148 /nfs/dbraw/zinc/04/11/48/359041148.db2.gz UYLZHCDTGLFGOL-KRWDZBQOSA-N 2 1 321.421 1.964 20 5 DDBDMP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c([N+](=O)[O-])n1 ZINC000603430805 359634972 /nfs/dbraw/zinc/63/49/72/359634972.db2.gz VAIXNJCVJXTNOS-MGPQQGTHSA-N 2 1 323.397 1.189 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359997288 410988921 /nfs/dbraw/zinc/98/89/21/410988921.db2.gz ACKNSHREPVCQND-OAHLLOKOSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359997288 410988927 /nfs/dbraw/zinc/98/89/27/410988927.db2.gz ACKNSHREPVCQND-OAHLLOKOSA-N 2 1 320.393 1.901 20 5 DDBDMP C[NH2+]CC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000430926480 420209461 /nfs/dbraw/zinc/20/94/61/420209461.db2.gz GRFUQVBXOJYWGF-UHFFFAOYSA-N 2 1 320.393 1.773 20 5 DDBDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000430967672 420227598 /nfs/dbraw/zinc/22/75/98/420227598.db2.gz UDUFBENVXWVGAC-BXUZGUMPSA-N 2 1 306.366 1.593 20 5 DDBDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000420390872 420257682 /nfs/dbraw/zinc/25/76/82/420257682.db2.gz RKULHDCHCHLVMT-UHFFFAOYSA-N 2 1 308.382 1.773 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443054760 420740784 /nfs/dbraw/zinc/74/07/84/420740784.db2.gz AASGDTYZHGIQNX-ZDUSSCGKSA-N 2 1 320.393 1.903 20 5 DDBDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567345836 308078715 /nfs/dbraw/zinc/07/87/15/308078715.db2.gz VTVMCALZTVGXPL-VNHYZAJKSA-N 2 1 323.393 1.407 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)nc1 ZINC000903739896 711262777 /nfs/dbraw/zinc/26/27/77/711262777.db2.gz AXMSJKFAXPKWHH-ZIAGYGMSSA-N 2 1 319.409 1.866 20 5 DDBDMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1C[NH3+] ZINC000904410715 711854434 /nfs/dbraw/zinc/85/44/34/711854434.db2.gz FYBCPMLRQTXRGB-NEPJUHHUSA-N 2 1 321.377 1.783 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000923498887 714379649 /nfs/dbraw/zinc/37/96/49/714379649.db2.gz QPEOPEIICGMLAT-QWHCGFSZSA-N 2 1 323.393 1.899 20 5 DDBDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176972057 778358626 /nfs/dbraw/zinc/35/86/26/778358626.db2.gz MJRTWKJFMMMCPH-UHFFFAOYSA-N 2 1 322.409 1.531 20 5 DDBDMP Cc1c(C)c(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155375115 862007373 /nfs/dbraw/zinc/00/73/73/862007373.db2.gz AKLSQHFXWHPEQS-CQSZACIVSA-N 2 1 319.409 1.466 20 5 DDBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CC23C[NH2+]C3)c1F ZINC001246444824 892630272 /nfs/dbraw/zinc/63/02/72/892630272.db2.gz LWZCPPWOVNXYPA-TVQRCGJNSA-N 2 1 309.341 1.625 20 5 DDBDMP Cn1cc(C[N@H+](C)C2CC([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414780912 530014412 /nfs/dbraw/zinc/01/44/12/530014412.db2.gz UVEFSSWYHVEVIJ-UHFFFAOYSA-N 2 1 315.377 1.917 20 5 DDBDMP Cn1cc(C[N@@H+](C)C2CC([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414780912 530014413 /nfs/dbraw/zinc/01/44/13/530014413.db2.gz UVEFSSWYHVEVIJ-UHFFFAOYSA-N 2 1 315.377 1.917 20 5 DDBDMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489679 355597879 /nfs/dbraw/zinc/59/78/79/355597879.db2.gz ZMKOUBPUZMGZFT-STQMWFEESA-N 2 1 320.393 1.983 20 5 DDBDMP Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000347088599 283173384 /nfs/dbraw/zinc/17/33/84/283173384.db2.gz DBWDUYLYFRYCDN-CQSZACIVSA-N 2 1 320.393 1.190 20 5 DDBDMP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261813871 407625641 /nfs/dbraw/zinc/62/56/41/407625641.db2.gz ADUBCYQAELLYMU-GFCCVEGCSA-N 2 1 306.366 1.594 20 5 DDBDMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261813871 407625647 /nfs/dbraw/zinc/62/56/47/407625647.db2.gz ADUBCYQAELLYMU-GFCCVEGCSA-N 2 1 306.366 1.594 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430919277 420203991 /nfs/dbraw/zinc/20/39/91/420203991.db2.gz PVUPFVBIAPJKON-JSGCOSHPSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430919276 420205082 /nfs/dbraw/zinc/20/50/82/420205082.db2.gz PVUPFVBIAPJKON-GXTWGEPZSA-N 2 1 320.393 1.901 20 5 DDBDMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886839268 708858582 /nfs/dbraw/zinc/85/85/82/708858582.db2.gz AIRMYZHHNDIWHG-LSDHHAIUSA-N 2 1 320.393 1.708 20 5 DDBDMP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895770300 711601343 /nfs/dbraw/zinc/60/13/43/711601343.db2.gz LUBOMHMXXRLYHB-NEPJUHHUSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895770300 711601345 /nfs/dbraw/zinc/60/13/45/711601345.db2.gz LUBOMHMXXRLYHB-NEPJUHHUSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895770300 711601347 /nfs/dbraw/zinc/60/13/47/711601347.db2.gz LUBOMHMXXRLYHB-NEPJUHHUSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895770300 711601348 /nfs/dbraw/zinc/60/13/48/711601348.db2.gz LUBOMHMXXRLYHB-NEPJUHHUSA-N 2 1 320.397 1.222 20 5 DDBDMP [NH3+]C[C@@]1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CN2CCC1CC2 ZINC001254580886 896513672 /nfs/dbraw/zinc/51/36/72/896513672.db2.gz HTTVOUBZSLYYPJ-DOTOQJQBSA-N 2 1 316.405 1.075 20 5 DDBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000351495709 284344188 /nfs/dbraw/zinc/34/41/88/284344188.db2.gz PYRQOGOCZUZIBL-KCPJHIHWSA-N 2 1 318.377 1.593 20 5 DDBDMP O=[N+]([O-])c1ccccc1C[N@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420370882 285160275 /nfs/dbraw/zinc/16/02/75/285160275.db2.gz ZIWOYAZSFPISII-UHFFFAOYSA-N 2 1 304.394 1.464 20 5 DDBDMP O=[N+]([O-])c1ccccc1C[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420370882 285160277 /nfs/dbraw/zinc/16/02/77/285160277.db2.gz ZIWOYAZSFPISII-UHFFFAOYSA-N 2 1 304.394 1.464 20 5 DDBDMP Cc1c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000262413566 407828425 /nfs/dbraw/zinc/82/84/25/407828425.db2.gz DHNXBKRFLPOGSN-OAHLLOKOSA-N 2 1 304.394 1.383 20 5 DDBDMP Cc1c(NC(=O)CC[N@@H+](C)[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000359884512 410934140 /nfs/dbraw/zinc/93/41/40/410934140.db2.gz WNXJSVILLBKUPY-OAHLLOKOSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+](C)[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000359884512 410934146 /nfs/dbraw/zinc/93/41/46/410934146.db2.gz WNXJSVILLBKUPY-OAHLLOKOSA-N 2 1 320.393 1.901 20 5 DDBDMP [NH3+]CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000430652063 420171253 /nfs/dbraw/zinc/17/12/53/420171253.db2.gz WZFJOSBQJKNESA-UHFFFAOYSA-N 2 1 317.349 1.816 20 5 DDBDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931434176 714097260 /nfs/dbraw/zinc/09/72/60/714097260.db2.gz OPOVIDIITPFERJ-OCCSQVGLSA-N 2 1 318.377 1.077 20 5 DDBDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931434176 714097262 /nfs/dbraw/zinc/09/72/62/714097262.db2.gz OPOVIDIITPFERJ-OCCSQVGLSA-N 2 1 318.377 1.077 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931434176 714097264 /nfs/dbraw/zinc/09/72/64/714097264.db2.gz OPOVIDIITPFERJ-OCCSQVGLSA-N 2 1 318.377 1.077 20 5 DDBDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931434176 714097267 /nfs/dbraw/zinc/09/72/67/714097267.db2.gz OPOVIDIITPFERJ-OCCSQVGLSA-N 2 1 318.377 1.077 20 5 DDBDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001170211499 766171360 /nfs/dbraw/zinc/17/13/60/766171360.db2.gz NZJCPHFMVCJJNX-UHFFFAOYSA-N 2 1 322.409 1.533 20 5 DDBDMP Cc1c(C)c(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155375114 862008848 /nfs/dbraw/zinc/00/88/48/862008848.db2.gz AKLSQHFXWHPEQS-AWEZNQCLSA-N 2 1 319.409 1.466 20 5 DDBDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353289330 877234029 /nfs/dbraw/zinc/23/40/29/877234029.db2.gz XTBBAZJKTSVQNZ-HIFRSBDPSA-N 2 1 323.393 1.266 20 5 DDBDMP C[C@]1([NH3+])CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246528684 892679134 /nfs/dbraw/zinc/67/91/34/892679134.db2.gz BJEARNJHESLAMQ-INIZCTEOSA-N 2 1 304.394 1.987 20 5 DDBDMP C[C@]1([NH3+])CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246528684 892679137 /nfs/dbraw/zinc/67/91/37/892679137.db2.gz BJEARNJHESLAMQ-INIZCTEOSA-N 2 1 304.394 1.987 20 5 DDBDMP CC1(C[NH3+])C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246600290 892725402 /nfs/dbraw/zinc/72/54/02/892725402.db2.gz SCNWCVXORCOVNO-UHFFFAOYSA-N 2 1 304.394 1.844 20 5 DDBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001246620927 892743512 /nfs/dbraw/zinc/74/35/12/892743512.db2.gz BVICFCPIHXZQLG-BBRMVZONSA-N 2 1 304.394 1.163 20 5 DDBDMP CC[NH+](CC)CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355799257 291011674 /nfs/dbraw/zinc/01/16/74/291011674.db2.gz YICMGCZVAYFNGE-UHFFFAOYSA-N 2 1 309.414 1.882 20 5 DDBDMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592182642 355527783 /nfs/dbraw/zinc/52/77/83/355527783.db2.gz NDHQVHVBSGWHJV-UHFFFAOYSA-N 2 1 319.405 1.934 20 5 DDBDMP CC(C)(CN(CC[NH3+])c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000602659536 359106480 /nfs/dbraw/zinc/10/64/80/359106480.db2.gz PCUHJJBIXXQMIA-UHFFFAOYSA-N 2 1 322.409 1.471 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000602784243 359189416 /nfs/dbraw/zinc/18/94/16/359189416.db2.gz RHYUXCCVFNBEGB-OAHLLOKOSA-N 2 1 321.425 1.763 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000602784243 359189420 /nfs/dbraw/zinc/18/94/20/359189420.db2.gz RHYUXCCVFNBEGB-OAHLLOKOSA-N 2 1 321.425 1.763 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000602784243 359189425 /nfs/dbraw/zinc/18/94/25/359189425.db2.gz RHYUXCCVFNBEGB-OAHLLOKOSA-N 2 1 321.425 1.763 20 5 DDBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000602784243 359189428 /nfs/dbraw/zinc/18/94/28/359189428.db2.gz RHYUXCCVFNBEGB-OAHLLOKOSA-N 2 1 321.425 1.763 20 5 DDBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000351481244 284333289 /nfs/dbraw/zinc/33/32/89/284333289.db2.gz WSMVCSIUUKATAH-RWMBFGLXSA-N 2 1 318.377 1.593 20 5 DDBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262560888 407869392 /nfs/dbraw/zinc/86/93/92/407869392.db2.gz VLMSZSDSAFPZOQ-AWEZNQCLSA-N 2 1 324.812 1.728 20 5 DDBDMP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262560888 407869397 /nfs/dbraw/zinc/86/93/97/407869397.db2.gz VLMSZSDSAFPZOQ-AWEZNQCLSA-N 2 1 324.812 1.728 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](CN)C1CC1 ZINC000359908642 410945688 /nfs/dbraw/zinc/94/56/88/410945688.db2.gz XQAPAVZJFPUVNL-OAHLLOKOSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](CN)C1CC1 ZINC000359908642 410945694 /nfs/dbraw/zinc/94/56/94/410945694.db2.gz XQAPAVZJFPUVNL-OAHLLOKOSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359908642 410945696 /nfs/dbraw/zinc/94/56/96/410945696.db2.gz XQAPAVZJFPUVNL-OAHLLOKOSA-N 2 1 320.393 1.901 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359908642 410945702 /nfs/dbraw/zinc/94/57/02/410945702.db2.gz XQAPAVZJFPUVNL-OAHLLOKOSA-N 2 1 320.393 1.901 20 5 DDBDMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000519643614 421712911 /nfs/dbraw/zinc/71/29/11/421712911.db2.gz WSUGYLISVYPOJL-QWHCGFSZSA-N 2 1 320.393 1.996 20 5 DDBDMP CN(C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000876805572 705885000 /nfs/dbraw/zinc/88/50/00/705885000.db2.gz DVDGWIJCFOYRMY-INIZCTEOSA-N 2 1 320.393 1.321 20 5 DDBDMP CN(C(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000923486168 714372401 /nfs/dbraw/zinc/37/24/01/714372401.db2.gz CAVDQWMHPAMTGZ-GFCCVEGCSA-N 2 1 306.366 1.228 20 5 DDBDMP C[N@@H+]1CCc2c(-n3ccc(CC[NH3+])n3)ccc([N+](=O)[O-])c2C1 ZINC001167731511 737216836 /nfs/dbraw/zinc/21/68/36/737216836.db2.gz JSWBTJQOYDAGQN-UHFFFAOYSA-N 2 1 301.350 1.270 20 5 DDBDMP C[N@H+]1CCc2c(-n3ccc(CC[NH3+])n3)ccc([N+](=O)[O-])c2C1 ZINC001167731511 737216841 /nfs/dbraw/zinc/21/68/41/737216841.db2.gz JSWBTJQOYDAGQN-UHFFFAOYSA-N 2 1 301.350 1.270 20 5 DDBDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001146718861 772925887 /nfs/dbraw/zinc/92/58/87/772925887.db2.gz IPUTWGRIIHXOME-UHFFFAOYSA-N 2 1 308.382 1.142 20 5 DDBDMP C[NH+](C)/C=C/c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)ncc1[N+](=O)[O-] ZINC001155543196 862209081 /nfs/dbraw/zinc/20/90/81/862209081.db2.gz FFHAQRVGCFITHR-RRSPZVPKSA-N 2 1 319.365 1.065 20 5 DDBDMP O=[N+]([O-])c1ccccc1NCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001335933167 868628311 /nfs/dbraw/zinc/62/83/11/868628311.db2.gz FADLMVBZRVPROH-ZDUSSCGKSA-N 2 1 308.382 1.053 20 5 DDBDMP CCc1nn(C)c(NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596423840 356874389 /nfs/dbraw/zinc/87/43/89/356874389.db2.gz DBSVTQWIOLSZTP-UHFFFAOYSA-N 2 1 312.418 1.186 20 5 DDBDMP CCc1nn(C)c(NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596423840 356874393 /nfs/dbraw/zinc/87/43/93/356874393.db2.gz DBSVTQWIOLSZTP-UHFFFAOYSA-N 2 1 312.418 1.186 20 5 DDBDMP Cc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596361262 356863425 /nfs/dbraw/zinc/86/34/25/356863425.db2.gz RBTGCOCHOJLDEC-ZDUSSCGKSA-N 2 1 309.414 1.982 20 5 DDBDMP Cc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596361262 356863427 /nfs/dbraw/zinc/86/34/27/356863427.db2.gz RBTGCOCHOJLDEC-ZDUSSCGKSA-N 2 1 309.414 1.982 20 5 DDBDMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682018 357685593 /nfs/dbraw/zinc/68/55/93/357685593.db2.gz KPQHPYXTMBVGDN-LRDDRELGSA-N 2 1 318.377 1.737 20 5 DDBDMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000598682018 357685596 /nfs/dbraw/zinc/68/55/96/357685596.db2.gz KPQHPYXTMBVGDN-LRDDRELGSA-N 2 1 318.377 1.737 20 5 DDBDMP COc1ccc(OCC[N@@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261628650 407560851 /nfs/dbraw/zinc/56/08/51/407560851.db2.gz FBJFOODRHPQUIH-OAHLLOKOSA-N 2 1 309.366 1.653 20 5 DDBDMP COc1ccc(OCC[N@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000261628650 407560854 /nfs/dbraw/zinc/56/08/54/407560854.db2.gz FBJFOODRHPQUIH-OAHLLOKOSA-N 2 1 309.366 1.653 20 5 DDBDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000130049739 407649160 /nfs/dbraw/zinc/64/91/60/407649160.db2.gz CFRFSKWFLCUFAF-KGLIPLIRSA-N 2 1 323.393 1.218 20 5 DDBDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000130049739 407649166 /nfs/dbraw/zinc/64/91/66/407649166.db2.gz CFRFSKWFLCUFAF-KGLIPLIRSA-N 2 1 323.393 1.218 20 5 DDBDMP C[N@@H+](C[C@@H](O)Cn1ccnc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290811725 408836702 /nfs/dbraw/zinc/83/67/02/408836702.db2.gz RFYPNWJQFDZVDJ-OAHLLOKOSA-N 2 1 316.361 1.913 20 5 DDBDMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000360535655 418458261 /nfs/dbraw/zinc/45/82/61/418458261.db2.gz QPKGCKMRQVLDPG-INIZCTEOSA-N 2 1 318.377 1.609 20 5 DDBDMP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000430936690 420214666 /nfs/dbraw/zinc/21/46/66/420214666.db2.gz VVDRNYGXCQOBPM-LBPRGKRZSA-N 2 1 320.393 1.617 20 5 DDBDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000430967673 420228655 /nfs/dbraw/zinc/22/86/55/420228655.db2.gz UDUFBENVXWVGAC-FZMZJTMJSA-N 2 1 306.366 1.593 20 5 DDBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000442795752 420716771 /nfs/dbraw/zinc/71/67/71/420716771.db2.gz VJWZDSJLGQXCTP-NEPJUHHUSA-N 2 1 306.366 1.593 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(F)c1 ZINC000262438849 698469817 /nfs/dbraw/zinc/46/98/17/698469817.db2.gz GODDMBIPIZXDQC-CQSZACIVSA-N 2 1 308.357 1.213 20 5 DDBDMP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(F)c1 ZINC000262438849 698469820 /nfs/dbraw/zinc/46/98/20/698469820.db2.gz GODDMBIPIZXDQC-CQSZACIVSA-N 2 1 308.357 1.213 20 5 DDBDMP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000895770306 711601590 /nfs/dbraw/zinc/60/15/90/711601590.db2.gz LUBOMHMXXRLYHB-RYUDHWBXSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000895770306 711601591 /nfs/dbraw/zinc/60/15/91/711601591.db2.gz LUBOMHMXXRLYHB-RYUDHWBXSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895770306 711601592 /nfs/dbraw/zinc/60/15/92/711601592.db2.gz LUBOMHMXXRLYHB-RYUDHWBXSA-N 2 1 320.397 1.222 20 5 DDBDMP C[NH+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895770306 711601594 /nfs/dbraw/zinc/60/15/94/711601594.db2.gz LUBOMHMXXRLYHB-RYUDHWBXSA-N 2 1 320.397 1.222 20 5 DDBDMP COc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000904406423 711853628 /nfs/dbraw/zinc/85/36/28/711853628.db2.gz SRZZLCMKEVIXHI-LLVKDONJSA-N 2 1 309.366 1.783 20 5 DDBDMP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329700 714316540 /nfs/dbraw/zinc/31/65/40/714316540.db2.gz XOJDFIGHORHMEZ-MRKMAMSISA-N 2 1 305.378 1.843 20 5 DDBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329700 714316543 /nfs/dbraw/zinc/31/65/43/714316543.db2.gz XOJDFIGHORHMEZ-MRKMAMSISA-N 2 1 305.378 1.843 20 5 DDBDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001148571144 773528485 /nfs/dbraw/zinc/52/84/85/773528485.db2.gz XSSRHWFXQZWBAE-UHFFFAOYSA-N 2 1 322.409 1.533 20 5 DDBDMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336728336 869112164 /nfs/dbraw/zinc/11/21/64/869112164.db2.gz PURZKKARGYNLEZ-ZDUSSCGKSA-N 2 1 320.393 1.997 20 5 DDBDMP CC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001336728336 869112167 /nfs/dbraw/zinc/11/21/67/869112167.db2.gz PURZKKARGYNLEZ-ZDUSSCGKSA-N 2 1 320.393 1.997 20 5 DDBDMP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246205870 892481376 /nfs/dbraw/zinc/48/13/76/892481376.db2.gz ABUBQKCAZWFEHW-UPJWGTAASA-N 2 1 315.414 1.471 20 5 DDBDMP O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCC[NH2+]CC1)OCCO2 ZINC000591278574 355277142 /nfs/dbraw/zinc/27/71/42/355277142.db2.gz SIVGQOYCCJDJQZ-LBPRGKRZSA-N 2 1 307.350 1.598 20 5 DDBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597941862 357391869 /nfs/dbraw/zinc/39/18/69/357391869.db2.gz FGPMBZLMXWOLEN-NSHDSACASA-N 2 1 312.370 1.190 20 5 DDBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597941862 357391870 /nfs/dbraw/zinc/39/18/70/357391870.db2.gz FGPMBZLMXWOLEN-NSHDSACASA-N 2 1 312.370 1.190 20 5 DDBDMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])n1 ZINC000603431403 359636655 /nfs/dbraw/zinc/63/66/55/359636655.db2.gz WTRWYUQXPPVKMW-YUTCNCBUSA-N 2 1 323.397 1.047 20 5 DDBDMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000569833426 304381219 /nfs/dbraw/zinc/38/12/19/304381219.db2.gz HUJQMZAGXXFPTK-KGLIPLIRSA-N 2 1 318.381 1.841 20 5 DDBDMP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CC([NH3+])C1 ZINC000420345585 420225335 /nfs/dbraw/zinc/22/53/35/420225335.db2.gz ZVEHZYOQAFPICQ-UHFFFAOYSA-N 2 1 322.365 1.354 20 5 DDBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000866339879 706676798 /nfs/dbraw/zinc/67/67/98/706676798.db2.gz OFILACLTLGJKSE-IAQYHMDHSA-N 2 1 311.357 1.321 20 5 DDBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000866339879 706676799 /nfs/dbraw/zinc/67/67/99/706676799.db2.gz OFILACLTLGJKSE-IAQYHMDHSA-N 2 1 311.357 1.321 20 5 DDBDMP C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000819221257 704089129 /nfs/dbraw/zinc/08/91/29/704089129.db2.gz WIAPYHXUMKBUGZ-MLGOLLRUSA-N 2 1 305.378 1.868 20 5 DDBDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819366326 704113915 /nfs/dbraw/zinc/11/39/15/704113915.db2.gz NQSBIIRDCYGHPQ-BBRMVZONSA-N 2 1 307.394 1.950 20 5 DDBDMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722620 711254305 /nfs/dbraw/zinc/25/43/05/711254305.db2.gz BTPFANLQTVYTRB-GOEBONIOSA-N 2 1 305.378 1.795 20 5 DDBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722620 711254307 /nfs/dbraw/zinc/25/43/07/711254307.db2.gz BTPFANLQTVYTRB-GOEBONIOSA-N 2 1 305.378 1.795 20 5 DDBDMP C[NH+]1CCC(C[NH+]2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169042511 762195550 /nfs/dbraw/zinc/19/55/50/762195550.db2.gz FGFUGEJLZPORTE-IAGOWNOFSA-N 2 1 324.469 1.391 20 5 DDBDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001129532171 766919253 /nfs/dbraw/zinc/91/92/53/766919253.db2.gz UAPVSYOUJFCZPN-UHFFFAOYSA-N 2 1 320.393 1.285 20 5 DDBDMP [NH3+]C1CC[NH+](CCNc2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001161867718 867047533 /nfs/dbraw/zinc/04/75/33/867047533.db2.gz YIYJVXFRHDGUIU-UHFFFAOYSA-N 2 1 316.365 1.373 20 5 DDBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001334748333 867808974 /nfs/dbraw/zinc/80/89/74/867808974.db2.gz OSEVXSJYWMIWHO-MELADBBJSA-N 2 1 307.398 1.719 20 5 DDBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@H]3[NH2+]C[C@@H]32)ncc1[N+](=O)[O-] ZINC001165396254 869566138 /nfs/dbraw/zinc/56/61/38/869566138.db2.gz ZKDHVQWAIVMKLF-FROLJDDGSA-N 2 1 303.366 1.463 20 5 DDBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246594614 892719312 /nfs/dbraw/zinc/71/93/12/892719312.db2.gz KFIOQPSMWNEITA-CQSZACIVSA-N 2 1 318.421 1.553 20 5 DDBDMP [NH3+][C@]12CC[C@@H]1C[N@H+](C1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001246865056 892954013 /nfs/dbraw/zinc/95/40/13/892954013.db2.gz XVZNMKRVJWRGNR-DYVFJYSZSA-N 2 1 316.405 1.987 20 5 DDBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001254539035 896494351 /nfs/dbraw/zinc/49/43/51/896494351.db2.gz DLAHUUSOBONXOK-DGCLKSJQSA-N 2 1 304.350 1.457 20 5 DDBDMP CC[N@@H+](C)C[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000590605203 355129351 /nfs/dbraw/zinc/12/93/51/355129351.db2.gz DKTFLEZOGMYOKZ-MRXNPFEDSA-N 2 1 307.394 1.872 20 5 DDBDMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489677 355598366 /nfs/dbraw/zinc/59/83/66/355598366.db2.gz ZMKOUBPUZMGZFT-OLZOCXBDSA-N 2 1 320.393 1.983 20 5 DDBDMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000592489468 355598443 /nfs/dbraw/zinc/59/84/43/355598443.db2.gz VZXGULYJPXEOMU-DOMZBBRYSA-N 2 1 320.393 1.983 20 5 DDBDMP Cn1c[nH+]cc1CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602961466 359324169 /nfs/dbraw/zinc/32/41/69/359324169.db2.gz AEYPQKGSGRKXGG-MRXNPFEDSA-N 2 1 318.377 1.758 20 5 DDBDMP C[N@H+](C[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120468339 781964832 /nfs/dbraw/zinc/96/48/32/781964832.db2.gz MGBBDEGPRUUCDR-HNNXBMFYSA-N 2 1 308.382 1.051 20 5 DDBDMP C[N@@H+](C[C@@H](O)C[NH2+]CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001120468339 781964844 /nfs/dbraw/zinc/96/48/44/781964844.db2.gz MGBBDEGPRUUCDR-HNNXBMFYSA-N 2 1 308.382 1.051 20 5 DDBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC000178982764 407683222 /nfs/dbraw/zinc/68/32/22/407683222.db2.gz QITSNOSDUZQUIZ-CYBMUJFWSA-N 2 1 305.382 1.476 20 5 DDBDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000430928513 420211282 /nfs/dbraw/zinc/21/12/82/420211282.db2.gz UJSXJESTBMWHQQ-CHWSQXEVSA-N 2 1 320.393 1.983 20 5 DDBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430940247 420214503 /nfs/dbraw/zinc/21/45/03/420214503.db2.gz JNZOJRKCQLHSRI-GFCCVEGCSA-N 2 1 306.366 1.512 20 5 DDBDMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430605187 420155688 /nfs/dbraw/zinc/15/56/88/420155688.db2.gz QARJNIVNTDMAAJ-CYBMUJFWSA-N 2 1 320.393 1.855 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430616713 420160227 /nfs/dbraw/zinc/16/02/27/420160227.db2.gz HCVZJNVRFFJLOZ-UHFFFAOYSA-N 2 1 306.366 1.512 20 5 DDBDMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000420389825 420256554 /nfs/dbraw/zinc/25/65/54/420256554.db2.gz PIUWGFDUYJZYBX-UHFFFAOYSA-N 2 1 308.382 1.773 20 5 DDBDMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000420409781 420268250 /nfs/dbraw/zinc/26/82/50/420268250.db2.gz QWAJDVOFQSFSSQ-STQMWFEESA-N 2 1 320.393 1.840 20 5 DDBDMP Cc1nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596361112 422376726 /nfs/dbraw/zinc/37/67/26/422376726.db2.gz PRMPMOZHMIOHET-LBPRGKRZSA-N 2 1 309.414 1.982 20 5 DDBDMP Cc1nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596361112 422376727 /nfs/dbraw/zinc/37/67/27/422376727.db2.gz PRMPMOZHMIOHET-LBPRGKRZSA-N 2 1 309.414 1.982 20 5 DDBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000564662365 308002338 /nfs/dbraw/zinc/00/23/38/308002338.db2.gz YPNGEPYRIMKXHD-UHFFFAOYSA-N 2 1 320.393 1.903 20 5 DDBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000843062800 702811108 /nfs/dbraw/zinc/81/11/08/702811108.db2.gz SHTBRKSEGNNHND-MRXNPFEDSA-N 2 1 323.393 1.065 20 5 DDBDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000863647586 705976083 /nfs/dbraw/zinc/97/60/83/705976083.db2.gz RAVWLMGBTGWYLU-UHFFFAOYSA-N 2 1 301.774 1.916 20 5 DDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000887132942 708966885 /nfs/dbraw/zinc/96/68/85/708966885.db2.gz QKDXHCCECYBBLD-CYBMUJFWSA-N 2 1 316.365 1.397 20 5 DDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000887132942 708966888 /nfs/dbraw/zinc/96/68/88/708966888.db2.gz QKDXHCCECYBBLD-CYBMUJFWSA-N 2 1 316.365 1.397 20 5 DDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000887133238 708967623 /nfs/dbraw/zinc/96/76/23/708967623.db2.gz XDJCKMGCRCAVMG-CYBMUJFWSA-N 2 1 316.365 1.397 20 5 DDBDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000887133238 708967625 /nfs/dbraw/zinc/96/76/25/708967625.db2.gz XDJCKMGCRCAVMG-CYBMUJFWSA-N 2 1 316.365 1.397 20 5 DDBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000923362899 714327903 /nfs/dbraw/zinc/32/79/03/714327903.db2.gz QKWSZQBAKLRLJX-BFYDXBDKSA-N 2 1 319.405 1.950 20 5 DDBDMP COc1ccc(C[C@H](C)[NH+]2CCN(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170308151 766259368 /nfs/dbraw/zinc/25/93/68/766259368.db2.gz LHYWJDMUBQSMRK-ZDUSSCGKSA-N 2 1 322.409 1.111 20 5 DDBDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254608192 896530480 /nfs/dbraw/zinc/53/04/80/896530480.db2.gz PGQNOMMONJWUSZ-HYVNUMGLSA-N 2 1 301.390 1.946 20 5 DDBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000593736107 355980750 /nfs/dbraw/zinc/98/07/50/355980750.db2.gz GIUBMONYPBBBLC-UMVBOHGHSA-N 2 1 323.397 1.010 20 5 DDBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOCC[NH3+] ZINC000600736111 358301744 /nfs/dbraw/zinc/30/17/44/358301744.db2.gz QJTHNSSQABHSBJ-UHFFFAOYSA-N 2 1 311.382 1.789 20 5 DDBDMP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCC[NH3+] ZINC000600736111 358301747 /nfs/dbraw/zinc/30/17/47/358301747.db2.gz QJTHNSSQABHSBJ-UHFFFAOYSA-N 2 1 311.382 1.789 20 5 DDBDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777760 359183813 /nfs/dbraw/zinc/18/38/13/359183813.db2.gz LAQUCIKKXCRBTD-AWEZNQCLSA-N 2 1 309.414 1.763 20 5 DDBDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777760 359183816 /nfs/dbraw/zinc/18/38/16/359183816.db2.gz LAQUCIKKXCRBTD-AWEZNQCLSA-N 2 1 309.414 1.763 20 5 DDBDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777760 359183822 /nfs/dbraw/zinc/18/38/22/359183822.db2.gz LAQUCIKKXCRBTD-AWEZNQCLSA-N 2 1 309.414 1.763 20 5 DDBDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602777760 359183826 /nfs/dbraw/zinc/18/38/26/359183826.db2.gz LAQUCIKKXCRBTD-AWEZNQCLSA-N 2 1 309.414 1.763 20 5 DDBDMP NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000261841853 407638246 /nfs/dbraw/zinc/63/82/46/407638246.db2.gz CRKLHYXGYFRAKE-ZDUSSCGKSA-N 2 1 306.366 1.397 20 5 DDBDMP NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000261841853 407638250 /nfs/dbraw/zinc/63/82/50/407638250.db2.gz CRKLHYXGYFRAKE-ZDUSSCGKSA-N 2 1 306.366 1.397 20 5 DDBDMP O=C(CC[NH+]1CCC2(CC[NH2+]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000422625403 227078465 /nfs/dbraw/zinc/07/84/65/227078465.db2.gz BILZXFYTTKYDRZ-UHFFFAOYSA-N 2 1 318.377 1.751 20 5 DDBDMP O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423012367 227312156 /nfs/dbraw/zinc/31/21/56/227312156.db2.gz KNGFLZCDTPYVFV-ZACQAIPSSA-N 2 1 319.405 1.884 20 5 DDBDMP Cc1c(NC(=O)CC[N@H+](C)C2CC([NH3+])C2)cccc1[N+](=O)[O-] ZINC000420322436 420207852 /nfs/dbraw/zinc/20/78/52/420207852.db2.gz ACASNNHUXLPSTI-UHFFFAOYSA-N 2 1 306.366 1.653 20 5 DDBDMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420381745 420249852 /nfs/dbraw/zinc/24/98/52/420249852.db2.gz ZJHWHSGTCDHDCS-WQGACYEGSA-N 2 1 320.393 1.900 20 5 DDBDMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863546516 705953725 /nfs/dbraw/zinc/95/37/25/705953725.db2.gz KFHCPGFKJZQISS-BLLLJJGKSA-N 2 1 304.394 1.904 20 5 DDBDMP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899910416 709234575 /nfs/dbraw/zinc/23/45/75/709234575.db2.gz KFOGHXPGNZQHLF-OAHLLOKOSA-N 2 1 305.378 1.798 20 5 DDBDMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899910416 709234577 /nfs/dbraw/zinc/23/45/77/709234577.db2.gz KFOGHXPGNZQHLF-OAHLLOKOSA-N 2 1 305.378 1.798 20 5 DDBDMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641481 712104243 /nfs/dbraw/zinc/10/42/43/712104243.db2.gz CABSFQQWJAYODW-OCCSQVGLSA-N 2 1 307.394 1.743 20 5 DDBDMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000905641481 712104246 /nfs/dbraw/zinc/10/42/46/712104246.db2.gz CABSFQQWJAYODW-OCCSQVGLSA-N 2 1 307.394 1.743 20 5 DDBDMP