smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610367494 1021543958 /nfs/dbraw/zinc/54/39/58/1021543958.db2.gz KQCOIFVLARQLKO-KRWDZBQOSA-N 2 0 345.487 4.244 20 5 EIBDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000120897537 1027432840 /nfs/dbraw/zinc/43/28/40/1027432840.db2.gz NZPIXYVUTGVYMP-MRXNPFEDSA-N 2 0 341.455 4.287 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000480605533 1030503852 /nfs/dbraw/zinc/50/38/52/1030503852.db2.gz BUWIDCIHQFQGAO-RDJZCZTQSA-N 2 0 333.476 4.066 20 5 EIBDRP CCCn1ccnc1CCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000191477080 1030952452 /nfs/dbraw/zinc/95/24/52/1030952452.db2.gz FCZDYVGLUWBFPY-MRXNPFEDSA-N 2 0 344.459 4.135 20 5 EIBDRP CC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000532511418 1031246029 /nfs/dbraw/zinc/24/60/29/1031246029.db2.gz ASDOAJUWWKROKP-IBGZPJMESA-N 2 0 333.476 4.292 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000531681543 1031470916 /nfs/dbraw/zinc/47/09/16/1031470916.db2.gz QAUYCBXDELVYEZ-IAGOWNOFSA-N 2 0 333.476 4.208 20 5 EIBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433114939 1033855958 /nfs/dbraw/zinc/85/59/58/1033855958.db2.gz HFHUJLWQSBJRKU-KXBFYZLASA-N 2 0 347.503 4.417 20 5 EIBDRP CCC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423295154 1038122974 /nfs/dbraw/zinc/12/29/74/1038122974.db2.gz WFPLHMZHVWVCQO-KUHUBIRLSA-N 2 0 327.428 4.246 20 5 EIBDRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423452512 1038230140 /nfs/dbraw/zinc/23/01/40/1038230140.db2.gz JSNVDPAVBILCBI-QWHCGFSZSA-N 2 0 333.457 4.101 20 5 EIBDRP Cc1c([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423499333 1038255864 /nfs/dbraw/zinc/25/58/64/1038255864.db2.gz JKFSFJGEMCHWHH-MAUKXSAKSA-N 2 0 327.428 4.034 20 5 EIBDRP [NH3+]CCC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423523573 1038277197 /nfs/dbraw/zinc/27/71/97/1038277197.db2.gz WEKNMUOJKZFPHP-UXHICEINSA-N 2 0 339.439 4.042 20 5 EIBDRP CCC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000483738134 1040992043 /nfs/dbraw/zinc/99/20/43/1040992043.db2.gz AGOPJDXRYPBAAX-LJQANCHMSA-N 2 0 333.476 4.148 20 5 EIBDRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000480632598 1041446930 /nfs/dbraw/zinc/44/69/30/1041446930.db2.gz SMPHWSHYHBBHTO-DOTOQJQBSA-N 2 0 333.476 4.208 20 5 EIBDRP C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(C[NH+](C)C)c1 ZINC000925693124 1023775101 /nfs/dbraw/zinc/77/51/01/1023775101.db2.gz OOGNCZZOUOJRHE-CABCVRRESA-N 2 0 327.428 4.068 20 5 EIBDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178646784 1027083750 /nfs/dbraw/zinc/08/37/50/1027083750.db2.gz IXUJBQQVUAKNBX-INIZCTEOSA-N 2 0 341.455 4.287 20 5 EIBDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000485720830 1036206531 /nfs/dbraw/zinc/20/65/31/1036206531.db2.gz YSXCGCXBNLRRDA-INIZCTEOSA-N 2 0 333.476 4.018 20 5 EIBDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423484689 1038260117 /nfs/dbraw/zinc/26/01/17/1038260117.db2.gz ABPAXEVDJFSOSN-IHRRRGAJSA-N 2 0 345.468 4.101 20 5 EIBDRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C[NH+](C)C ZINC000425944922 1042033161 /nfs/dbraw/zinc/03/31/61/1042033161.db2.gz ZEYJNUSTYKLPDO-KGLIPLIRSA-N 2 0 347.484 4.172 20 5 EIBDRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000425944923 1042033742 /nfs/dbraw/zinc/03/37/42/1042033742.db2.gz ZEYJNUSTYKLPDO-UONOGXRCSA-N 2 0 347.484 4.172 20 5 EIBDRP CCC(CC)[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173221077 1050354405 /nfs/dbraw/zinc/35/44/05/1050354405.db2.gz FLFASODQXKSKDG-SZVBFZGTSA-N 2 0 347.503 4.286 20 5 EIBDRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000766511131 1060426858 /nfs/dbraw/zinc/42/68/58/1060426858.db2.gz AGRLLXDXQTTXKD-ZLPCBKJTSA-N 2 0 331.460 4.043 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000766511310 1060429120 /nfs/dbraw/zinc/42/91/20/1060429120.db2.gz CTBWRUNOGKLNHZ-WWDZGPRUSA-N 2 0 345.487 4.351 20 5 EIBDRP Cc1c([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000766514446 1060472024 /nfs/dbraw/zinc/47/20/24/1060472024.db2.gz XEQRUAOZWFAZFR-WWDZGPRUSA-N 2 0 345.487 4.351 20 5 EIBDRP CC(C)(C)[PH+](CCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169006482 1060575052 /nfs/dbraw/zinc/57/50/52/1060575052.db2.gz XZLQWYKZLIBNRZ-GJZGRUSLSA-N 2 0 330.453 4.490 20 5 EIBDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000123942588 1023741865 /nfs/dbraw/zinc/74/18/65/1023741865.db2.gz JZPXGLKTDXUDMI-MRXNPFEDSA-N 2 0 341.455 4.206 20 5 EIBDRP CCCC[N@H+](C)CC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506947878 1026560032 /nfs/dbraw/zinc/56/00/32/1026560032.db2.gz VHCCONMTPFFFKV-CLFYSBASSA-N 2 0 345.487 4.052 20 5 EIBDRP CC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000532511420 1031245871 /nfs/dbraw/zinc/24/58/71/1031245871.db2.gz ASDOAJUWWKROKP-LJQANCHMSA-N 2 0 333.476 4.292 20 5 EIBDRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423452513 1038231135 /nfs/dbraw/zinc/23/11/35/1038231135.db2.gz JSNVDPAVBILCBI-STQMWFEESA-N 2 0 333.457 4.101 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423505315 1038256999 /nfs/dbraw/zinc/25/69/99/1038256999.db2.gz OKPBLAHKUDBHPT-MAUKXSAKSA-N 2 0 327.428 4.034 20 5 EIBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588551 1039304884 /nfs/dbraw/zinc/30/48/84/1039304884.db2.gz UXSFKPJHVGUVSZ-KXBFYZLASA-N 2 0 333.476 4.072 20 5 EIBDRP CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000123965027 1044810454 /nfs/dbraw/zinc/81/04/54/1044810454.db2.gz PQYYMCSTKVICSW-HXUWFJFHSA-N 2 0 341.455 4.287 20 5 EIBDRP CCC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000391887602 1044996076 /nfs/dbraw/zinc/99/60/76/1044996076.db2.gz XKMOKGRSHCWCBL-KRWDZBQOSA-N 2 0 333.476 4.335 20 5 EIBDRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423523575 1038278763 /nfs/dbraw/zinc/27/87/63/1038278763.db2.gz WEKNMUOJKZFPHP-VQTJNVASSA-N 2 0 339.439 4.042 20 5 EIBDRP Cc1c([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000482953238 1040599057 /nfs/dbraw/zinc/59/90/57/1040599057.db2.gz YCCGRKQAWRKTSO-QGZVFWFLSA-N 2 0 333.476 4.210 20 5 EIBDRP CC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000120947290 1043185568 /nfs/dbraw/zinc/18/55/68/1043185568.db2.gz ZEAVJPBVQHKGEC-LJQANCHMSA-N 2 0 345.418 4.036 20 5 EIBDRP Cc1c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cccc1[N+](=O)[O-] ZINC000873026450 1054478657 /nfs/dbraw/zinc/47/86/57/1054478657.db2.gz LKTOKZMIWNXIIG-UHFFFAOYSA-N 2 0 341.455 4.033 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000532511299 1031246339 /nfs/dbraw/zinc/24/63/39/1031246339.db2.gz RDMRAVMRBUTINQ-KRWDZBQOSA-N 2 0 333.476 4.210 20 5 EIBDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000423289839 1038097499 /nfs/dbraw/zinc/09/74/99/1038097499.db2.gz BRBFJWCCOSMCRD-DJJJIMSYSA-N 2 0 339.439 4.127 20 5 EIBDRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423484685 1038259212 /nfs/dbraw/zinc/25/92/12/1038259212.db2.gz ABPAXEVDJFSOSN-BFHYXJOUSA-N 2 0 345.468 4.101 20 5 EIBDRP CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423514349 1038270420 /nfs/dbraw/zinc/27/04/20/1038270420.db2.gz WINICNVRHPUQPL-RBUKOAKNSA-N 2 0 327.428 4.116 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000480613015 1041423374 /nfs/dbraw/zinc/42/33/74/1041423374.db2.gz PEULPEHYCVTRQE-KRWDZBQOSA-N 2 0 333.476 4.066 20 5 EIBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443602451 1042117996 /nfs/dbraw/zinc/11/79/96/1042117996.db2.gz PEDLOZGKBZTDET-KRWDZBQOSA-N 2 0 345.487 4.244 20 5 EIBDRP CCC(CC)[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221686 1050354219 /nfs/dbraw/zinc/35/42/19/1050354219.db2.gz OOCGBANBDAINSY-INIZCTEOSA-N 2 0 347.503 4.016 20 5 EIBDRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173306393 1053971658 /nfs/dbraw/zinc/97/16/58/1053971658.db2.gz LNMCXVOWGFALSZ-MRXNPFEDSA-N 2 0 339.439 4.041 20 5 EIBDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173358241 1054171448 /nfs/dbraw/zinc/17/14/48/1054171448.db2.gz NMFZGKHGPMFUTO-MRXNPFEDSA-N 2 0 341.455 4.286 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000766512467 1060454446 /nfs/dbraw/zinc/45/44/46/1060454446.db2.gz LEWITBFAKHFJRR-IPJUCJBFSA-N 2 0 345.487 4.351 20 5 EIBDRP CC(C)c1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415051266 1023409793 /nfs/dbraw/zinc/40/97/93/1023409793.db2.gz JIDVPBICWLSIND-IBGZPJMESA-N 2 0 341.455 4.288 20 5 EIBDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178646799 1027084287 /nfs/dbraw/zinc/08/42/87/1027084287.db2.gz IXUJBQQVUAKNBX-MRXNPFEDSA-N 2 0 341.455 4.287 20 5 EIBDRP CC(C)c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000520205072 1031425248 /nfs/dbraw/zinc/42/52/48/1031425248.db2.gz RYMKYBKVTYYAAE-KRWDZBQOSA-N 2 0 347.503 4.462 20 5 EIBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433114934 1033856290 /nfs/dbraw/zinc/85/62/90/1033856290.db2.gz HFHUJLWQSBJRKU-DNVCBOLYSA-N 2 0 347.503 4.417 20 5 EIBDRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423452510 1038231694 /nfs/dbraw/zinc/23/16/94/1038231694.db2.gz JSNVDPAVBILCBI-CHWSQXEVSA-N 2 0 333.457 4.101 20 5 EIBDRP Cc1c([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423499322 1038254038 /nfs/dbraw/zinc/25/40/38/1038254038.db2.gz JKFSFJGEMCHWHH-CRAIPNDOSA-N 2 0 327.428 4.034 20 5 EIBDRP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000518770480 1042684570 /nfs/dbraw/zinc/68/45/70/1042684570.db2.gz MIIGWNYDJCOSKP-UHFFFAOYSA-N 2 0 347.484 4.143 20 5 EIBDRP CC(C)(C)[PH+](CCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169006483 1060574023 /nfs/dbraw/zinc/57/40/23/1060574023.db2.gz XZLQWYKZLIBNRZ-HUUCEWRRSA-N 2 0 330.453 4.490 20 5 EIBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000468638255 1022210480 /nfs/dbraw/zinc/21/04/80/1022210480.db2.gz AJKROCDEGQHKRQ-UWXVCKHVSA-N 2 0 345.487 4.242 20 5 EIBDRP CCCC[N@H+](C)CC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000506947880 1026561670 /nfs/dbraw/zinc/56/16/70/1026561670.db2.gz VHCCONMTPFFFKV-VQHVLOKHSA-N 2 0 345.487 4.052 20 5 EIBDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000531909983 1031807059 /nfs/dbraw/zinc/80/70/59/1031807059.db2.gz CWLOHXOILHMNFD-KRWDZBQOSA-N 2 0 345.487 4.071 20 5 EIBDRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000593318983 1036183524 /nfs/dbraw/zinc/18/35/24/1036183524.db2.gz HZPYVXDWRHUPDC-CYBMUJFWSA-N 2 0 345.468 4.103 20 5 EIBDRP CC(C)c1ccc(CNCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000061029117 1036783810 /nfs/dbraw/zinc/78/38/10/1036783810.db2.gz RKOVFCZSRSVLKV-INIZCTEOSA-N 2 0 333.476 4.072 20 5 EIBDRP CCC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160875452 1040826930 /nfs/dbraw/zinc/82/69/30/1040826930.db2.gz KSUADESZMSFSPE-FQEVSTJZSA-N 2 0 341.455 4.287 20 5 EIBDRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000484298206 1041200628 /nfs/dbraw/zinc/20/06/28/1041200628.db2.gz LDHPIDFKDMQDSP-INIZCTEOSA-N 2 0 333.476 4.004 20 5 EIBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605467 1042129826 /nfs/dbraw/zinc/12/98/26/1042129826.db2.gz VQEGZILCSQNTCF-QGZVFWFLSA-N 2 0 345.487 4.244 20 5 EIBDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449529178 1044351483 /nfs/dbraw/zinc/35/14/83/1044351483.db2.gz VKDPWRDBWUPRJJ-UHFFFAOYSA-N 2 0 345.443 4.065 20 5 EIBDRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090775421 1045830729 /nfs/dbraw/zinc/83/07/29/1045830729.db2.gz HEMCNSAPRPUFRE-IPJUCJBFSA-N 2 0 345.487 4.289 20 5 EIBDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537752 1030142482 /nfs/dbraw/zinc/14/24/82/1030142482.db2.gz YIJNKHWJAQUFOP-UZLBHIALSA-N 2 0 345.487 4.216 20 5 EIBDRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447542825 1030144328 /nfs/dbraw/zinc/14/43/28/1030144328.db2.gz PQVKAOMAFHVTDJ-HXUWFJFHSA-N 2 0 345.487 4.074 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000531682765 1031473969 /nfs/dbraw/zinc/47/39/69/1031473969.db2.gz IUSLNESFFTTZTB-NVXWUHKLSA-N 2 0 333.476 4.066 20 5 EIBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875744 1037068061 /nfs/dbraw/zinc/06/80/61/1037068061.db2.gz NHTNHFVPZFTKNK-KRWDZBQOSA-N 2 0 345.487 4.244 20 5 EIBDRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423452511 1038230611 /nfs/dbraw/zinc/23/06/11/1038230611.db2.gz JSNVDPAVBILCBI-OLZOCXBDSA-N 2 0 333.457 4.101 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423505314 1038258564 /nfs/dbraw/zinc/25/85/64/1038258564.db2.gz OKPBLAHKUDBHPT-CRAIPNDOSA-N 2 0 327.428 4.034 20 5 EIBDRP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000537950556 1040916781 /nfs/dbraw/zinc/91/67/81/1040916781.db2.gz CIDFOVIMDUABCP-APWZRJJASA-N 2 0 333.476 4.004 20 5 EIBDRP CC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000120947177 1043183651 /nfs/dbraw/zinc/18/36/51/1043183651.db2.gz ZEAVJPBVQHKGEC-IBGZPJMESA-N 2 0 345.418 4.036 20 5 EIBDRP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868955 1045063566 /nfs/dbraw/zinc/06/35/66/1045063566.db2.gz JAKAEPBKCGJXHA-VQIMIIECSA-N 2 0 333.476 4.146 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000766512468 1060457593 /nfs/dbraw/zinc/45/75/93/1060457593.db2.gz LEWITBFAKHFJRR-IVMQYODDSA-N 2 0 345.487 4.351 20 5 EIBDRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248397846 1028095418 /nfs/dbraw/zinc/09/54/18/1028095418.db2.gz IGYKZUOQMAWHLY-KNBMTAEXSA-N 2 0 345.487 4.289 20 5 EIBDRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447542821 1030144379 /nfs/dbraw/zinc/14/43/79/1030144379.db2.gz PQVKAOMAFHVTDJ-FQEVSTJZSA-N 2 0 345.487 4.074 20 5 EIBDRP CC(C)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000536652133 1046596167 /nfs/dbraw/zinc/59/61/67/1046596167.db2.gz PYRVGPNKVVMICN-UHFFFAOYSA-N 2 0 347.503 4.270 20 5 EIBDRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447545952 1030149253 /nfs/dbraw/zinc/14/92/53/1030149253.db2.gz ZJSRQKYFDNNOSL-OXJNMPFZSA-N 2 0 345.487 4.074 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000532511300 1031245558 /nfs/dbraw/zinc/24/55/58/1031245558.db2.gz RDMRAVMRBUTINQ-QGZVFWFLSA-N 2 0 333.476 4.210 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000531681545 1031471732 /nfs/dbraw/zinc/47/17/32/1031471732.db2.gz QAUYCBXDELVYEZ-IRXDYDNUSA-N 2 0 333.476 4.208 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000531682764 1031474925 /nfs/dbraw/zinc/47/49/25/1031474925.db2.gz IUSLNESFFTTZTB-DOTOQJQBSA-N 2 0 333.476 4.066 20 5 EIBDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000531910556 1031806076 /nfs/dbraw/zinc/80/60/76/1031806076.db2.gz MHHWVFVFDNWXOU-KRWDZBQOSA-N 2 0 345.487 4.071 20 5 EIBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433172792 1033991613 /nfs/dbraw/zinc/99/16/13/1033991613.db2.gz DMIDMUCHSUUPFY-HNAYVOBHSA-N 2 0 345.487 4.027 20 5 EIBDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000079055523 1043835531 /nfs/dbraw/zinc/83/55/31/1043835531.db2.gz APKBUSAVADHYTO-MRXNPFEDSA-N 2 0 341.455 4.287 20 5 EIBDRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000766512083 1060441785 /nfs/dbraw/zinc/44/17/85/1060441785.db2.gz WLIHTNYQGPYESV-FAEJEUNOSA-N 2 0 331.460 4.043 20 5 EIBDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000120897359 1027421622 /nfs/dbraw/zinc/42/16/22/1027421622.db2.gz NZPIXYVUTGVYMP-INIZCTEOSA-N 2 0 341.455 4.287 20 5 EIBDRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000480618593 1031344860 /nfs/dbraw/zinc/34/48/60/1031344860.db2.gz AOSHVSZVHUPDSX-KRWDZBQOSA-N 2 0 333.476 4.066 20 5 EIBDRP CC(C)c1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520205494 1031425199 /nfs/dbraw/zinc/42/51/99/1031425199.db2.gz XLIYTFAKDSAEDY-UHFFFAOYSA-N 2 0 347.503 4.320 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000531682767 1031474113 /nfs/dbraw/zinc/47/41/13/1031474113.db2.gz IUSLNESFFTTZTB-WBVHZDCISA-N 2 0 333.476 4.066 20 5 EIBDRP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000183187919 1035319278 /nfs/dbraw/zinc/31/92/78/1035319278.db2.gz ILJIRWNARKBXSU-YESZJQIVSA-N 2 0 345.487 4.207 20 5 EIBDRP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000183195551 1035338230 /nfs/dbraw/zinc/33/82/30/1035338230.db2.gz IGYKZUOQMAWHLY-WRWLIDTKSA-N 2 0 345.487 4.289 20 5 EIBDRP Cc1c([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423499337 1038255059 /nfs/dbraw/zinc/25/50/59/1038255059.db2.gz JKFSFJGEMCHWHH-YJBOKZPZSA-N 2 0 327.428 4.034 20 5 EIBDRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423484694 1038260696 /nfs/dbraw/zinc/26/06/96/1038260696.db2.gz ABPAXEVDJFSOSN-MJBXVCDLSA-N 2 0 345.468 4.101 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000538711963 1041484509 /nfs/dbraw/zinc/48/45/09/1041484509.db2.gz OIUJKZBNOVIVCG-INIZCTEOSA-N 2 0 333.476 4.016 20 5 EIBDRP Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302129834 1045162089 /nfs/dbraw/zinc/16/20/89/1045162089.db2.gz BQHBHGLGSHXLRA-UHFFFAOYSA-N 2 0 342.443 4.126 20 5 EIBDRP CC[N+](C)(C)Cc1ccccc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171092628 1048118028 /nfs/dbraw/zinc/11/80/28/1048118028.db2.gz BXPZCJTUWQRWNO-SFHVURJKSA-N 2 0 348.514 4.043 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000820824462 1049558560 /nfs/dbraw/zinc/55/85/60/1049558560.db2.gz SSTQYFWKJMZDPJ-HOTGVXAUSA-N 2 0 341.455 4.377 20 5 EIBDRP CC(C)c1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415051277 1023409695 /nfs/dbraw/zinc/40/96/95/1023409695.db2.gz JIDVPBICWLSIND-LJQANCHMSA-N 2 0 341.455 4.288 20 5 EIBDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000123942331 1023742025 /nfs/dbraw/zinc/74/20/25/1023742025.db2.gz JZPXGLKTDXUDMI-INIZCTEOSA-N 2 0 341.455 4.206 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000480605534 1030504181 /nfs/dbraw/zinc/50/41/81/1030504181.db2.gz BUWIDCIHQFQGAO-WBVHZDCISA-N 2 0 333.476 4.066 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000531936589 1031845367 /nfs/dbraw/zinc/84/53/67/1031845367.db2.gz OKQLMFDFOKPCKT-KRWDZBQOSA-N 2 0 333.476 4.066 20 5 EIBDRP CCC[NH+]1CCC(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433168471 1033971593 /nfs/dbraw/zinc/97/15/93/1033971593.db2.gz RYHXHQBEUSHHNY-IBGZPJMESA-N 2 0 345.487 4.029 20 5 EIBDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488422162 1037575339 /nfs/dbraw/zinc/57/53/39/1037575339.db2.gz LKLRQAKWUAZCDA-INIZCTEOSA-N 2 0 333.476 4.100 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423505317 1038258126 /nfs/dbraw/zinc/25/81/26/1038258126.db2.gz OKPBLAHKUDBHPT-YJBOKZPZSA-N 2 0 327.428 4.034 20 5 EIBDRP CCC[C@H]([NH2+]CC1CC[NH+](CCC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482502356 1040301460 /nfs/dbraw/zinc/30/14/60/1040301460.db2.gz KSNJXINJURJZDT-IBGZPJMESA-N 2 0 333.476 4.148 20 5 EIBDRP CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000123964794 1044810418 /nfs/dbraw/zinc/81/04/18/1044810418.db2.gz PQYYMCSTKVICSW-FQEVSTJZSA-N 2 0 341.455 4.287 20 5 EIBDRP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868559 1045063403 /nfs/dbraw/zinc/06/34/03/1045063403.db2.gz JAKAEPBKCGJXHA-QFBILLFUSA-N 2 0 333.476 4.146 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000820824460 1049559832 /nfs/dbraw/zinc/55/98/32/1049559832.db2.gz SSTQYFWKJMZDPJ-CVEARBPZSA-N 2 0 341.455 4.377 20 5 EIBDRP Nc1ccc2cc3ccc(Nc4ccc5[nH+]ccn5c4)cc3[nH+]c2c1 ZINC001174277590 1050877512 /nfs/dbraw/zinc/87/75/12/1050877512.db2.gz HNJILURAEURSPW-UHFFFAOYSA-N 2 0 325.375 4.362 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183194332 1035336375 /nfs/dbraw/zinc/33/63/75/1035336375.db2.gz PXWRKSHUKXJITK-YESZJQIVSA-N 2 0 345.487 4.207 20 5 EIBDRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423381310 1038195224 /nfs/dbraw/zinc/19/52/24/1038195224.db2.gz OJHASBMKGWFRQU-RDBSUJKOSA-N 2 0 345.468 4.114 20 5 EIBDRP Cc1c([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423499335 1038254763 /nfs/dbraw/zinc/25/47/63/1038254763.db2.gz JKFSFJGEMCHWHH-QAPCUYQASA-N 2 0 327.428 4.034 20 5 EIBDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173331148 1043895205 /nfs/dbraw/zinc/89/52/05/1043895205.db2.gz CEUVSUNMERSTMH-MRXNPFEDSA-N 2 0 341.455 4.287 20 5 EIBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173223439 1050354754 /nfs/dbraw/zinc/35/47/54/1050354754.db2.gz IRATZWCZHWUASC-SZMVWBNQSA-N 2 0 347.503 4.144 20 5 EIBDRP CC[N+](C)(C)Cc1ccccc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169142035 1060662795 /nfs/dbraw/zinc/66/27/95/1060662795.db2.gz FKDVXHPHDDZBJX-RXVVDRJESA-N 2 0 332.556 4.239 20 5 EIBDRP CC[N+](C)(C)Cc1ccccc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169142034 1060663904 /nfs/dbraw/zinc/66/39/04/1060663904.db2.gz FKDVXHPHDDZBJX-NQIIRXRSSA-N 2 0 332.556 4.239 20 5 EIBDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178644315 1027071492 /nfs/dbraw/zinc/07/14/92/1027071492.db2.gz LXFLUWZWFGKJIM-INIZCTEOSA-N 2 0 341.455 4.286 20 5 EIBDRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248397847 1028124532 /nfs/dbraw/zinc/12/45/32/1028124532.db2.gz IGYKZUOQMAWHLY-SYNHAJSKSA-N 2 0 345.487 4.289 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000248393718 1028145557 /nfs/dbraw/zinc/14/55/57/1028145557.db2.gz FAWKMXGWSSTDMM-JZXOWHBKSA-N 2 0 345.487 4.207 20 5 EIBDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044759 1031000874 /nfs/dbraw/zinc/00/08/74/1031000874.db2.gz TXFMGZBNXUNOOU-INIZCTEOSA-N 2 0 333.476 4.100 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000531717875 1031519715 /nfs/dbraw/zinc/51/97/15/1031519715.db2.gz GPAKBLVUVPTDMY-QGZVFWFLSA-N 2 0 333.476 4.210 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000538711964 1041484662 /nfs/dbraw/zinc/48/46/62/1041484662.db2.gz OIUJKZBNOVIVCG-MRXNPFEDSA-N 2 0 333.476 4.016 20 5 EIBDRP CC(C)c1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000506354882 1042339648 /nfs/dbraw/zinc/33/96/48/1042339648.db2.gz YYPJDNDFGODVJN-UHFFFAOYSA-N 2 0 333.476 4.023 20 5 EIBDRP CC[N+](C)(C)Cc1ccccc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170451375 1046500584 /nfs/dbraw/zinc/50/05/84/1046500584.db2.gz KZXHSCAAKMPLTB-UHFFFAOYSA-N 2 0 332.556 4.346 20 5 EIBDRP CC[N+](C)(C)Cc1ccccc1-n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001170682806 1049534825 /nfs/dbraw/zinc/53/48/25/1049534825.db2.gz UGONLZGLIRUYGH-KRWDZBQOSA-N 2 0 349.502 4.155 20 5 EIBDRP CC[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000766512005 1060482897 /nfs/dbraw/zinc/48/28/97/1060482897.db2.gz HQKQAFMZSROWIU-AFMYVXGZSA-N 2 0 345.487 4.433 20 5 EIBDRP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000537950557 1023307635 /nfs/dbraw/zinc/30/76/35/1023307635.db2.gz CIDFOVIMDUABCP-LPHOPBHVSA-N 2 0 333.476 4.004 20 5 EIBDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640221 1026966986 /nfs/dbraw/zinc/96/69/86/1026966986.db2.gz UDUPNSCCRCYIDJ-INIZCTEOSA-N 2 0 339.439 4.041 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000480613017 1030503821 /nfs/dbraw/zinc/50/38/21/1030503821.db2.gz PEULPEHYCVTRQE-QGZVFWFLSA-N 2 0 333.476 4.066 20 5 EIBDRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000520044760 1030999543 /nfs/dbraw/zinc/99/95/43/1030999543.db2.gz TXFMGZBNXUNOOU-MRXNPFEDSA-N 2 0 333.476 4.100 20 5 EIBDRP C[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466564 1031402788 /nfs/dbraw/zinc/40/27/88/1031402788.db2.gz XLWSUJDXWLAJGU-INIZCTEOSA-N 2 0 345.487 4.085 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000531681546 1031471281 /nfs/dbraw/zinc/47/12/81/1031471281.db2.gz QAUYCBXDELVYEZ-SJORKVTESA-N 2 0 333.476 4.208 20 5 EIBDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120507118 1034058983 /nfs/dbraw/zinc/05/89/83/1034058983.db2.gz PZTNKYNTMJTJEC-MRXNPFEDSA-N 2 0 341.455 4.287 20 5 EIBDRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423381309 1038195488 /nfs/dbraw/zinc/19/54/88/1038195488.db2.gz OJHASBMKGWFRQU-MGPQQGTHSA-N 2 0 345.468 4.114 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423505316 1038256469 /nfs/dbraw/zinc/25/64/69/1038256469.db2.gz OKPBLAHKUDBHPT-QAPCUYQASA-N 2 0 327.428 4.034 20 5 EIBDRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423514345 1038271637 /nfs/dbraw/zinc/27/16/37/1038271637.db2.gz WINICNVRHPUQPL-MOPGFXCFSA-N 2 0 327.428 4.116 20 5 EIBDRP CC(C)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000518764590 1042673706 /nfs/dbraw/zinc/67/37/06/1042673706.db2.gz WHQDCMLLGBGSEU-KRWDZBQOSA-N 2 0 347.503 4.320 20 5 EIBDRP CCC(CC)[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173221073 1050354780 /nfs/dbraw/zinc/35/47/80/1050354780.db2.gz FLFASODQXKSKDG-IEZWGBDMSA-N 2 0 347.503 4.286 20 5 EIBDRP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000183187955 1051016316 /nfs/dbraw/zinc/01/63/16/1051016316.db2.gz ILJIRWNARKBXSU-IXDOHACOSA-N 2 0 345.487 4.207 20 5 EIBDRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447545953 1030147647 /nfs/dbraw/zinc/14/76/47/1030147647.db2.gz ZJSRQKYFDNNOSL-OXQOHEQNSA-N 2 0 345.487 4.074 20 5 EIBDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120506966 1034058794 /nfs/dbraw/zinc/05/87/94/1034058794.db2.gz PZTNKYNTMJTJEC-INIZCTEOSA-N 2 0 341.455 4.287 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183194375 1035337014 /nfs/dbraw/zinc/33/70/14/1035337014.db2.gz PXWRKSHUKXJITK-IXDOHACOSA-N 2 0 345.487 4.207 20 5 EIBDRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423381308 1038194073 /nfs/dbraw/zinc/19/40/73/1038194073.db2.gz OJHASBMKGWFRQU-MCIONIFRSA-N 2 0 345.468 4.114 20 5 EIBDRP [NH3+]CCC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423523571 1038279340 /nfs/dbraw/zinc/27/93/40/1038279340.db2.gz WEKNMUOJKZFPHP-PMACEKPBSA-N 2 0 339.439 4.042 20 5 EIBDRP Cc1c([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000482953229 1040600468 /nfs/dbraw/zinc/60/04/68/1040600468.db2.gz YCCGRKQAWRKTSO-KRWDZBQOSA-N 2 0 333.476 4.210 20 5 EIBDRP CCC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160875586 1040824435 /nfs/dbraw/zinc/82/44/35/1040824435.db2.gz KSUADESZMSFSPE-HXUWFJFHSA-N 2 0 341.455 4.287 20 5 EIBDRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C[NH+](C)C ZINC000425944924 1042033720 /nfs/dbraw/zinc/03/37/20/1042033720.db2.gz ZEYJNUSTYKLPDO-ZIAGYGMSSA-N 2 0 347.484 4.172 20 5 EIBDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000073520852 1042210768 /nfs/dbraw/zinc/21/07/68/1042210768.db2.gz CEQDPRPYZUGSFF-MRXNPFEDSA-N 2 0 341.455 4.287 20 5 EIBDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000123928744 1044805321 /nfs/dbraw/zinc/80/53/21/1044805321.db2.gz IVUYWNPNPGBSOV-INIZCTEOSA-N 2 0 341.455 4.206 20 5 EIBDRP CC(C)(C)[PH+](CCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169006484 1060573404 /nfs/dbraw/zinc/57/34/04/1060573404.db2.gz XZLQWYKZLIBNRZ-LSDHHAIUSA-N 2 0 330.453 4.490 20 5 EIBDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449528138 1031822372 /nfs/dbraw/zinc/82/23/72/1031822372.db2.gz NINWZMGLCHLCCA-UHFFFAOYSA-N 2 0 345.443 4.065 20 5 EIBDRP CCC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423295152 1038118745 /nfs/dbraw/zinc/11/87/45/1038118745.db2.gz WFPLHMZHVWVCQO-AUUYWEPGSA-N 2 0 327.428 4.246 20 5 EIBDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423436941 1038236166 /nfs/dbraw/zinc/23/61/66/1038236166.db2.gz QCVHNRSCJCVLNO-KBPBESRZSA-N 2 0 347.484 4.491 20 5 EIBDRP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000537950558 1040917804 /nfs/dbraw/zinc/91/78/04/1040917804.db2.gz CIDFOVIMDUABCP-QFBILLFUSA-N 2 0 333.476 4.004 20 5 EIBDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000079055518 1043835109 /nfs/dbraw/zinc/83/51/09/1043835109.db2.gz APKBUSAVADHYTO-INIZCTEOSA-N 2 0 341.455 4.287 20 5 EIBDRP CCC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000391887603 1044995185 /nfs/dbraw/zinc/99/51/85/1044995185.db2.gz XKMOKGRSHCWCBL-QGZVFWFLSA-N 2 0 333.476 4.335 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000820824463 1049559264 /nfs/dbraw/zinc/55/92/64/1049559264.db2.gz SSTQYFWKJMZDPJ-HZPDHXFCSA-N 2 0 341.455 4.377 20 5 EIBDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537750 1030141415 /nfs/dbraw/zinc/14/14/15/1030141415.db2.gz YIJNKHWJAQUFOP-OXJNMPFZSA-N 2 0 345.487 4.216 20 5 EIBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCCC[NH+]1CCCCC1)CCC2 ZINC000447540111 1030145653 /nfs/dbraw/zinc/14/56/53/1030145653.db2.gz ITSALSXLTXRPMF-HXUWFJFHSA-N 2 0 345.487 4.218 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000531682766 1031473494 /nfs/dbraw/zinc/47/34/94/1031473494.db2.gz IUSLNESFFTTZTB-RDJZCZTQSA-N 2 0 333.476 4.066 20 5 EIBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433172789 1033992882 /nfs/dbraw/zinc/99/28/82/1033992882.db2.gz DMIDMUCHSUUPFY-DNVCBOLYSA-N 2 0 345.487 4.027 20 5 EIBDRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237093566 1035580411 /nfs/dbraw/zinc/58/04/11/1035580411.db2.gz XBIZPYUHFHCNER-UHFFFAOYSA-N 2 0 347.484 4.001 20 5 EIBDRP CCC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423295153 1038122126 /nfs/dbraw/zinc/12/21/26/1038122126.db2.gz WFPLHMZHVWVCQO-IFXJQAMLSA-N 2 0 327.428 4.246 20 5 EIBDRP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423436943 1038235848 /nfs/dbraw/zinc/23/58/48/1038235848.db2.gz QCVHNRSCJCVLNO-UONOGXRCSA-N 2 0 347.484 4.491 20 5 EIBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588523 1039305666 /nfs/dbraw/zinc/30/56/66/1039305666.db2.gz UXSFKPJHVGUVSZ-HNAYVOBHSA-N 2 0 333.476 4.072 20 5 EIBDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173331135 1043895183 /nfs/dbraw/zinc/89/51/83/1043895183.db2.gz CEUVSUNMERSTMH-INIZCTEOSA-N 2 0 341.455 4.287 20 5 EIBDRP COCC[NH2+]C1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000844899390 1048539617 /nfs/dbraw/zinc/53/96/17/1048539617.db2.gz AGDZIDWFDFELNU-UHFFFAOYSA-N 2 0 348.490 4.193 20 5 EIBDRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000766511129 1060430841 /nfs/dbraw/zinc/43/08/41/1060430841.db2.gz AGRLLXDXQTTXKD-FAEJEUNOSA-N 2 0 331.460 4.043 20 5 EIBDRP CC[N+](C)(C)Cc1ccccc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169142036 1060662285 /nfs/dbraw/zinc/66/22/85/1060662285.db2.gz FKDVXHPHDDZBJX-WIYYLYMNSA-N 2 0 332.556 4.239 20 5 EIBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000468639719 1022226832 /nfs/dbraw/zinc/22/68/32/1022226832.db2.gz GQDIEQAVHNUIQI-CLEQQJOVSA-N 2 0 345.487 4.100 20 5 EIBDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537749 1030141557 /nfs/dbraw/zinc/14/15/57/1030141557.db2.gz YIJNKHWJAQUFOP-JXFKEZNVSA-N 2 0 345.487 4.216 20 5 EIBDRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480610930 1030501669 /nfs/dbraw/zinc/50/16/69/1030501669.db2.gz LNLOBDKLLBYSEE-DOTOQJQBSA-N 2 0 333.476 4.066 20 5 EIBDRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000480632600 1031594331 /nfs/dbraw/zinc/59/43/31/1031594331.db2.gz SMPHWSHYHBBHTO-RDJZCZTQSA-N 2 0 333.476 4.208 20 5 EIBDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000182818041 1034994720 /nfs/dbraw/zinc/99/47/20/1034994720.db2.gz VMULRQJLHBTDEW-MRXNPFEDSA-N 2 0 339.439 4.041 20 5 EIBDRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000423289840 1038097227 /nfs/dbraw/zinc/09/72/27/1038097227.db2.gz BRBFJWCCOSMCRD-ORAYPTAESA-N 2 0 339.439 4.127 20 5 EIBDRP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481951762 1039908543 /nfs/dbraw/zinc/90/85/43/1039908543.db2.gz HFZMTAVWVDUGJS-UONOGXRCSA-N 2 0 347.484 4.314 20 5 EIBDRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481951763 1039909611 /nfs/dbraw/zinc/90/96/11/1039909611.db2.gz HFZMTAVWVDUGJS-ZIAGYGMSSA-N 2 0 347.484 4.314 20 5 EIBDRP COCC[N@H+](C)CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000915229038 1045200485 /nfs/dbraw/zinc/20/04/85/1045200485.db2.gz UFAHOESTWJBLRT-UHFFFAOYSA-N 2 0 336.479 4.051 20 5 EIBDRP CC(C)c1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000522557806 1028004926 /nfs/dbraw/zinc/00/49/26/1028004926.db2.gz HSFGOAGVYYBIMQ-GOSISDBHSA-N 2 0 335.492 4.174 20 5 EIBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)CCC2 ZINC000447540109 1030145125 /nfs/dbraw/zinc/14/51/25/1030145125.db2.gz ITSALSXLTXRPMF-FQEVSTJZSA-N 2 0 345.487 4.218 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCC[NH+]1CCCCC1 ZINC000531717874 1031521260 /nfs/dbraw/zinc/52/12/60/1031521260.db2.gz GPAKBLVUVPTDMY-KRWDZBQOSA-N 2 0 333.476 4.210 20 5 EIBDRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000480632601 1031593483 /nfs/dbraw/zinc/59/34/83/1031593483.db2.gz SMPHWSHYHBBHTO-WBVHZDCISA-N 2 0 333.476 4.208 20 5 EIBDRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000480632599 1031596802 /nfs/dbraw/zinc/59/68/02/1031596802.db2.gz SMPHWSHYHBBHTO-NVXWUHKLSA-N 2 0 333.476 4.208 20 5 EIBDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000122142413 1040011487 /nfs/dbraw/zinc/01/14/87/1040011487.db2.gz BZMOAGKWUIDUED-INIZCTEOSA-N 2 0 341.455 4.287 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000480605531 1041429381 /nfs/dbraw/zinc/42/93/81/1041429381.db2.gz BUWIDCIHQFQGAO-DOTOQJQBSA-N 2 0 333.476 4.066 20 5 EIBDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480644525 1041443734 /nfs/dbraw/zinc/44/37/34/1041443734.db2.gz VJBBSEXLESXQKA-ZACQAIPSSA-N 2 0 333.476 4.004 20 5 EIBDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C[NH+](C)C ZINC000425944921 1042032969 /nfs/dbraw/zinc/03/29/69/1042032969.db2.gz ZEYJNUSTYKLPDO-KBPBESRZSA-N 2 0 347.484 4.172 20 5 EIBDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000123928988 1044804903 /nfs/dbraw/zinc/80/49/03/1044804903.db2.gz IVUYWNPNPGBSOV-MRXNPFEDSA-N 2 0 341.455 4.206 20 5 EIBDRP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868315 1045065096 /nfs/dbraw/zinc/06/50/96/1045065096.db2.gz JAKAEPBKCGJXHA-LPHOPBHVSA-N 2 0 333.476 4.146 20 5 EIBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173229564 1050356740 /nfs/dbraw/zinc/35/67/40/1050356740.db2.gz NLBYDNSTAHQDKO-SZVBFZGTSA-N 2 0 345.487 4.040 20 5 EIBDRP CC1(C)C[C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000551265698 1026124509 /nfs/dbraw/zinc/12/45/09/1026124509.db2.gz YRJWNTHTJLNLHU-LJQANCHMSA-N 2 0 345.487 4.173 20 5 EIBDRP CC(C)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000584160874 1029652460 /nfs/dbraw/zinc/65/24/60/1029652460.db2.gz AACKFSTZSALGBT-UHFFFAOYSA-N 2 0 333.476 4.074 20 5 EIBDRP CC(C)c1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000520205073 1031424709 /nfs/dbraw/zinc/42/47/09/1031424709.db2.gz RYMKYBKVTYYAAE-QGZVFWFLSA-N 2 0 347.503 4.462 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000531936590 1031845239 /nfs/dbraw/zinc/84/52/39/1031845239.db2.gz OKQLMFDFOKPCKT-QGZVFWFLSA-N 2 0 333.476 4.066 20 5 EIBDRP CC[NH+]1CCC(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433281726 1034144895 /nfs/dbraw/zinc/14/48/95/1034144895.db2.gz DELKRGMVZSERHC-LJQANCHMSA-N 2 0 345.487 4.029 20 5 EIBDRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591578333 1037504772 /nfs/dbraw/zinc/50/47/72/1037504772.db2.gz RGEGGTAHJCQEHT-UONOGXRCSA-N 2 0 345.468 4.116 20 5 EIBDRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000484288886 1041196526 /nfs/dbraw/zinc/19/65/26/1041196526.db2.gz FETGCNUWMHYDDW-MRXNPFEDSA-N 2 0 333.476 4.004 20 5 EIBDRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000484298207 1041199848 /nfs/dbraw/zinc/19/98/48/1041199848.db2.gz LDHPIDFKDMQDSP-MRXNPFEDSA-N 2 0 333.476 4.004 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000480634044 1041447429 /nfs/dbraw/zinc/44/74/29/1041447429.db2.gz YZLZWJJADAOCSK-IAGOWNOFSA-N 2 0 333.476 4.208 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248404294 1042824136 /nfs/dbraw/zinc/82/41/36/1042824136.db2.gz PXWRKSHUKXJITK-ULQDDVLXSA-N 2 0 345.487 4.207 20 5 EIBDRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423532868 1043857824 /nfs/dbraw/zinc/85/78/24/1043857824.db2.gz WCCHWXHRQIFQCX-CYBMUJFWSA-N 2 0 345.468 4.116 20 5 EIBDRP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000125868786 1045063875 /nfs/dbraw/zinc/06/38/75/1045063875.db2.gz JAKAEPBKCGJXHA-APWZRJJASA-N 2 0 333.476 4.146 20 5 EIBDRP CCC(CC)[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221689 1050355434 /nfs/dbraw/zinc/35/54/34/1050355434.db2.gz OOCGBANBDAINSY-MRXNPFEDSA-N 2 0 347.503 4.016 20 5 EIBDRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178643357 1027059361 /nfs/dbraw/zinc/05/93/61/1027059361.db2.gz MVSNGCRUCWMCPG-MRXNPFEDSA-N 2 0 339.439 4.041 20 5 EIBDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537751 1030143084 /nfs/dbraw/zinc/14/30/84/1030143084.db2.gz YIJNKHWJAQUFOP-OXQOHEQNSA-N 2 0 345.487 4.216 20 5 EIBDRP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000183195510 1035338052 /nfs/dbraw/zinc/33/80/52/1035338052.db2.gz IGYKZUOQMAWHLY-XAUMDUMWSA-N 2 0 345.487 4.289 20 5 EIBDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000423289841 1038094706 /nfs/dbraw/zinc/09/47/06/1038094706.db2.gz BRBFJWCCOSMCRD-YJYMSZOUSA-N 2 0 339.439 4.127 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000183198142 1051010389 /nfs/dbraw/zinc/01/03/89/1051010389.db2.gz FAWKMXGWSSTDMM-XYJFISCASA-N 2 0 345.487 4.207 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000183198190 1051012523 /nfs/dbraw/zinc/01/25/23/1051012523.db2.gz FAWKMXGWSSTDMM-LZLYRXPVSA-N 2 0 345.487 4.207 20 5 EIBDRP CC(C)(C)[PH+](CCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)C ZINC001169006481 1060575838 /nfs/dbraw/zinc/57/58/38/1060575838.db2.gz XZLQWYKZLIBNRZ-CABCVRRESA-N 2 0 330.453 4.490 20 5 EIBDRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447545954 1030148069 /nfs/dbraw/zinc/14/80/69/1030148069.db2.gz ZJSRQKYFDNNOSL-UZLBHIALSA-N 2 0 345.487 4.074 20 5 EIBDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000182818018 1034996665 /nfs/dbraw/zinc/99/66/65/1034996665.db2.gz VMULRQJLHBTDEW-INIZCTEOSA-N 2 0 339.439 4.041 20 5 EIBDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000485720833 1036205943 /nfs/dbraw/zinc/20/59/43/1036205943.db2.gz YSXCGCXBNLRRDA-MRXNPFEDSA-N 2 0 333.476 4.018 20 5 EIBDRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591578332 1037505484 /nfs/dbraw/zinc/50/54/84/1037505484.db2.gz RGEGGTAHJCQEHT-KGLIPLIRSA-N 2 0 345.468 4.116 20 5 EIBDRP CCC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000483738132 1040989962 /nfs/dbraw/zinc/98/99/62/1040989962.db2.gz AGOPJDXRYPBAAX-IBGZPJMESA-N 2 0 333.476 4.148 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000480634046 1041446414 /nfs/dbraw/zinc/44/64/14/1041446414.db2.gz YZLZWJJADAOCSK-SJORKVTESA-N 2 0 333.476 4.208 20 5 EIBDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000073520850 1042211517 /nfs/dbraw/zinc/21/15/17/1042211517.db2.gz CEQDPRPYZUGSFF-INIZCTEOSA-N 2 0 341.455 4.287 20 5 EIBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000183454040 1051125866 /nfs/dbraw/zinc/12/58/66/1051125866.db2.gz IZLUTVUEPZPSAC-UHFFFAOYSA-N 2 0 341.455 4.033 20 5 EIBDRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173306378 1053970498 /nfs/dbraw/zinc/97/04/98/1053970498.db2.gz LNMCXVOWGFALSZ-INIZCTEOSA-N 2 0 339.439 4.041 20 5 EIBDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173358224 1054172725 /nfs/dbraw/zinc/17/27/25/1054172725.db2.gz NMFZGKHGPMFUTO-INIZCTEOSA-N 2 0 341.455 4.286 20 5 EIBDRP CC(C)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000506862050 1026482410 /nfs/dbraw/zinc/48/24/10/1026482410.db2.gz OBXYLJGARQOALT-UHFFFAOYSA-N 2 0 345.487 4.026 20 5 EIBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433172795 1033990941 /nfs/dbraw/zinc/99/09/41/1033990941.db2.gz DMIDMUCHSUUPFY-KXBFYZLASA-N 2 0 345.487 4.027 20 5 EIBDRP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237093695 1035579860 /nfs/dbraw/zinc/57/98/60/1035579860.db2.gz SEJDHLRJVBEAKQ-UHFFFAOYSA-N 2 0 347.484 4.001 20 5 EIBDRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591578334 1037504502 /nfs/dbraw/zinc/50/45/02/1037504502.db2.gz RGEGGTAHJCQEHT-ZIAGYGMSSA-N 2 0 345.468 4.116 20 5 EIBDRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423219543 1038063099 /nfs/dbraw/zinc/06/30/99/1038063099.db2.gz UEQLMKSVQMOEDN-IYXRBSQSSA-N 2 0 345.468 4.244 20 5 EIBDRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000423289838 1038096383 /nfs/dbraw/zinc/09/63/83/1038096383.db2.gz BRBFJWCCOSMCRD-BFUOFWGJSA-N 2 0 339.439 4.127 20 5 EIBDRP CCC[C@@H]([NH2+]CC1CC[NH+](CCC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000482502358 1040301927 /nfs/dbraw/zinc/30/19/27/1040301927.db2.gz KSNJXINJURJZDT-LJQANCHMSA-N 2 0 333.476 4.148 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000766511307 1060427246 /nfs/dbraw/zinc/42/72/46/1060427246.db2.gz CTBWRUNOGKLNHZ-AOCRQIFASA-N 2 0 345.487 4.351 20 5 EIBDRP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000549560661 1024365191 /nfs/dbraw/zinc/36/51/91/1024365191.db2.gz OUDXQIGAUCUZMS-UHFFFAOYSA-N 2 0 347.484 4.145 20 5 EIBDRP CCCn1ccnc1CCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000191477066 1030950970 /nfs/dbraw/zinc/95/09/70/1030950970.db2.gz FCZDYVGLUWBFPY-INIZCTEOSA-N 2 0 344.459 4.135 20 5 EIBDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000531909984 1031806596 /nfs/dbraw/zinc/80/65/96/1031806596.db2.gz CWLOHXOILHMNFD-QGZVFWFLSA-N 2 0 345.487 4.071 20 5 EIBDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000531910557 1031807272 /nfs/dbraw/zinc/80/72/72/1031807272.db2.gz MHHWVFVFDNWXOU-QGZVFWFLSA-N 2 0 345.487 4.071 20 5 EIBDRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423219542 1038060397 /nfs/dbraw/zinc/06/03/97/1038060397.db2.gz UEQLMKSVQMOEDN-HSBZDZAISA-N 2 0 345.468 4.244 20 5 EIBDRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423484692 1038259855 /nfs/dbraw/zinc/25/98/55/1038259855.db2.gz ABPAXEVDJFSOSN-MELADBBJSA-N 2 0 345.468 4.101 20 5 EIBDRP CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423514348 1038271043 /nfs/dbraw/zinc/27/10/43/1038271043.db2.gz WINICNVRHPUQPL-OALUTQOASA-N 2 0 327.428 4.116 20 5 EIBDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480644521 1041443380 /nfs/dbraw/zinc/44/33/80/1041443380.db2.gz VJBBSEXLESXQKA-BRWVUGGUSA-N 2 0 333.476 4.004 20 5 EIBDRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090775296 1045830908 /nfs/dbraw/zinc/83/09/08/1045830908.db2.gz BOPVNOWXIGJVOB-IPJUCJBFSA-N 2 0 345.487 4.289 20 5 EIBDRP CC[N+](C)(C)Cc1ccccc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171092627 1048118552 /nfs/dbraw/zinc/11/85/52/1048118552.db2.gz BXPZCJTUWQRWNO-GOSISDBHSA-N 2 0 348.514 4.043 20 5 EIBDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173320192 1054020917 /nfs/dbraw/zinc/02/09/17/1054020917.db2.gz MVMKMZBKSAXUNB-MRXNPFEDSA-N 2 0 341.455 4.286 20 5 EIBDRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000766512085 1060439770 /nfs/dbraw/zinc/43/97/70/1060439770.db2.gz WLIHTNYQGPYESV-ZLPCBKJTSA-N 2 0 331.460 4.043 20 5 EIBDRP CC[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000766512007 1060482685 /nfs/dbraw/zinc/48/26/85/1060482685.db2.gz HQKQAFMZSROWIU-QLOJAFMTSA-N 2 0 345.487 4.433 20 5 EIBDRP CC[N+](C)(C)Cc1ccccc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169142033 1060663693 /nfs/dbraw/zinc/66/36/93/1060663693.db2.gz FKDVXHPHDDZBJX-GHTZIAJQSA-N 2 0 332.556 4.239 20 5 EIBDRP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1[N+](=O)[O-] ZINC000236665930 1022192192 /nfs/dbraw/zinc/19/21/92/1022192192.db2.gz LKPLVGCUBCQNKU-UHFFFAOYSA-N 2 0 341.455 4.033 20 5 EIBDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178644335 1027072638 /nfs/dbraw/zinc/07/26/38/1027072638.db2.gz LXFLUWZWFGKJIM-MRXNPFEDSA-N 2 0 341.455 4.286 20 5 EIBDRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447545951 1030148756 /nfs/dbraw/zinc/14/87/56/1030148756.db2.gz ZJSRQKYFDNNOSL-JXFKEZNVSA-N 2 0 345.487 4.074 20 5 EIBDRP CC[NH+]1CCC(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433281725 1034146141 /nfs/dbraw/zinc/14/61/41/1034146141.db2.gz DELKRGMVZSERHC-IBGZPJMESA-N 2 0 345.487 4.029 20 5 EIBDRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481951761 1039907729 /nfs/dbraw/zinc/90/77/29/1039907729.db2.gz HFZMTAVWVDUGJS-KGLIPLIRSA-N 2 0 347.484 4.314 20 5 EIBDRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481954972 1039912266 /nfs/dbraw/zinc/91/22/66/1039912266.db2.gz RTOAQWAUVYPBTB-CQSZACIVSA-N 2 0 347.484 4.316 20 5 EIBDRP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000537950559 1040916112 /nfs/dbraw/zinc/91/61/12/1040916112.db2.gz CIDFOVIMDUABCP-VQIMIIECSA-N 2 0 333.476 4.004 20 5 EIBDRP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480610935 1041422548 /nfs/dbraw/zinc/42/25/48/1041422548.db2.gz LNLOBDKLLBYSEE-NVXWUHKLSA-N 2 0 333.476 4.066 20 5 EIBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443602453 1042117648 /nfs/dbraw/zinc/11/76/48/1042117648.db2.gz PEDLOZGKBZTDET-QGZVFWFLSA-N 2 0 345.487 4.244 20 5 EIBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605465 1042128678 /nfs/dbraw/zinc/12/86/78/1042128678.db2.gz VQEGZILCSQNTCF-KRWDZBQOSA-N 2 0 345.487 4.244 20 5 EIBDRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090775420 1045831259 /nfs/dbraw/zinc/83/12/59/1045831259.db2.gz HEMCNSAPRPUFRE-IVMQYODDSA-N 2 0 345.487 4.289 20 5 EIBDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173320176 1054021026 /nfs/dbraw/zinc/02/10/26/1054021026.db2.gz MVMKMZBKSAXUNB-INIZCTEOSA-N 2 0 341.455 4.286 20 5 EIBDRP Cc1c([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000766514445 1060473102 /nfs/dbraw/zinc/47/31/02/1060473102.db2.gz XEQRUAOZWFAZFR-AOCRQIFASA-N 2 0 345.487 4.351 20 5 EIBDRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000593318985 1036182524 /nfs/dbraw/zinc/18/25/24/1036182524.db2.gz HZPYVXDWRHUPDC-ZDUSSCGKSA-N 2 0 345.468 4.103 20 5 EIBDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000122142616 1040008479 /nfs/dbraw/zinc/00/84/79/1040008479.db2.gz BZMOAGKWUIDUED-MRXNPFEDSA-N 2 0 341.455 4.287 20 5 EIBDRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480610939 1030502551 /nfs/dbraw/zinc/50/25/51/1030502551.db2.gz LNLOBDKLLBYSEE-RDJZCZTQSA-N 2 0 333.476 4.066 20 5 EIBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433114932 1033855474 /nfs/dbraw/zinc/85/54/74/1033855474.db2.gz HFHUJLWQSBJRKU-BEFAXECRSA-N 2 0 347.503 4.417 20 5 EIBDRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433114937 1033856559 /nfs/dbraw/zinc/85/65/59/1033856559.db2.gz HFHUJLWQSBJRKU-HNAYVOBHSA-N 2 0 347.503 4.417 20 5 EIBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433172787 1033992359 /nfs/dbraw/zinc/99/23/59/1033992359.db2.gz DMIDMUCHSUUPFY-BEFAXECRSA-N 2 0 345.487 4.027 20 5 EIBDRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000423523577 1038277948 /nfs/dbraw/zinc/27/79/48/1038277948.db2.gz WEKNMUOJKZFPHP-WOJBJXKFSA-N 2 0 339.439 4.042 20 5 EIBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588507 1039304810 /nfs/dbraw/zinc/30/48/10/1039304810.db2.gz UXSFKPJHVGUVSZ-DNVCBOLYSA-N 2 0 333.476 4.072 20 5 EIBDRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481951760 1039908894 /nfs/dbraw/zinc/90/88/94/1039908894.db2.gz HFZMTAVWVDUGJS-KBPBESRZSA-N 2 0 347.484 4.314 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000480605532 1041429864 /nfs/dbraw/zinc/42/98/64/1041429864.db2.gz BUWIDCIHQFQGAO-NVXWUHKLSA-N 2 0 333.476 4.066 20 5 EIBDRP Cc1c(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000873012138 1054476652 /nfs/dbraw/zinc/47/66/52/1054476652.db2.gz NTRAGTZZDHVIRH-UHFFFAOYSA-N 2 0 341.455 4.033 20 5 EIBDRP C[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466565 1031404006 /nfs/dbraw/zinc/40/40/06/1031404006.db2.gz XLWSUJDXWLAJGU-MRXNPFEDSA-N 2 0 345.487 4.085 20 5 EIBDRP c1ccc2c(c1)cc1ccccc1c2C[NH2+]CCCC[NH+]1CCOCC1 ZINC000060996352 1036760230 /nfs/dbraw/zinc/76/02/30/1036760230.db2.gz AWNHHRBBKGUTLY-UHFFFAOYSA-N 2 0 348.490 4.195 20 5 EIBDRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000591578331 1037505901 /nfs/dbraw/zinc/50/59/01/1037505901.db2.gz RGEGGTAHJCQEHT-KBPBESRZSA-N 2 0 345.468 4.116 20 5 EIBDRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423532869 1038268843 /nfs/dbraw/zinc/26/88/43/1038268843.db2.gz WCCHWXHRQIFQCX-ZDUSSCGKSA-N 2 0 345.468 4.116 20 5 EIBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192588538 1039304475 /nfs/dbraw/zinc/30/44/75/1039304475.db2.gz UXSFKPJHVGUVSZ-BEFAXECRSA-N 2 0 333.476 4.072 20 5 EIBDRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000484288883 1041195990 /nfs/dbraw/zinc/19/59/90/1041195990.db2.gz FETGCNUWMHYDDW-INIZCTEOSA-N 2 0 333.476 4.004 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000480634043 1041447186 /nfs/dbraw/zinc/44/71/86/1041447186.db2.gz YZLZWJJADAOCSK-DLBZAZTESA-N 2 0 333.476 4.208 20 5 EIBDRP CC(C)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000518764591 1042672878 /nfs/dbraw/zinc/67/28/78/1042672878.db2.gz WHQDCMLLGBGSEU-QGZVFWFLSA-N 2 0 347.503 4.320 20 5 EIBDRP CN(C)C1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCOCC1 ZINC000073008690 1052671728 /nfs/dbraw/zinc/67/17/28/1052671728.db2.gz GACBFUIURAQXSH-UHFFFAOYSA-N 2 0 348.490 4.193 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000531681539 1031471139 /nfs/dbraw/zinc/47/11/39/1031471139.db2.gz QAUYCBXDELVYEZ-DLBZAZTESA-N 2 0 333.476 4.208 20 5 EIBDRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000183195531 1035338121 /nfs/dbraw/zinc/33/81/21/1035338121.db2.gz IGYKZUOQMAWHLY-MDYRTPRTSA-N 2 0 345.487 4.289 20 5 EIBDRP CCC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000423295155 1038118672 /nfs/dbraw/zinc/11/86/72/1038118672.db2.gz WFPLHMZHVWVCQO-LIRRHRJNSA-N 2 0 327.428 4.246 20 5 EIBDRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423436942 1038236889 /nfs/dbraw/zinc/23/68/89/1038236889.db2.gz QCVHNRSCJCVLNO-KGLIPLIRSA-N 2 0 347.484 4.491 20 5 EIBDRP CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423514351 1038271297 /nfs/dbraw/zinc/27/12/97/1038271297.db2.gz WINICNVRHPUQPL-RTBURBONSA-N 2 0 327.428 4.116 20 5 EIBDRP CCCC[NH+]1CCC(N[C@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000325116233 1040061207 /nfs/dbraw/zinc/06/12/07/1040061207.db2.gz NHIPPTVEMRFGHP-LJQANCHMSA-N 2 0 333.476 4.290 20 5 EIBDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480644523 1041444075 /nfs/dbraw/zinc/44/40/75/1041444075.db2.gz VJBBSEXLESXQKA-IXDOHACOSA-N 2 0 333.476 4.004 20 5 EIBDRP CCC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000123663715 1044748765 /nfs/dbraw/zinc/74/87/65/1044748765.db2.gz PKLTVEBKQWLIPF-FQEVSTJZSA-N 2 0 341.455 4.287 20 5 EIBDRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000820824464 1049559633 /nfs/dbraw/zinc/55/96/33/1049559633.db2.gz SSTQYFWKJMZDPJ-JKSUJKDBSA-N 2 0 341.455 4.377 20 5 EIBDRP CC(C)c1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000522557807 1028003557 /nfs/dbraw/zinc/00/35/57/1028003557.db2.gz HSFGOAGVYYBIMQ-SFHVURJKSA-N 2 0 335.492 4.174 20 5 EIBDRP CCC[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433168472 1033972349 /nfs/dbraw/zinc/97/23/49/1033972349.db2.gz RYHXHQBEUSHHNY-LJQANCHMSA-N 2 0 345.487 4.029 20 5 EIBDRP CC(C)c1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000500900371 1034003869 /nfs/dbraw/zinc/00/38/69/1034003869.db2.gz RWAGESKGKYVFIC-UHFFFAOYSA-N 2 0 347.503 4.464 20 5 EIBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875745 1037067303 /nfs/dbraw/zinc/06/73/03/1037067303.db2.gz NHTNHFVPZFTKNK-QGZVFWFLSA-N 2 0 345.487 4.244 20 5 EIBDRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000488422163 1037576313 /nfs/dbraw/zinc/57/63/13/1037576313.db2.gz LKLRQAKWUAZCDA-MRXNPFEDSA-N 2 0 333.476 4.100 20 5 EIBDRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423381307 1038194802 /nfs/dbraw/zinc/19/48/02/1038194802.db2.gz OJHASBMKGWFRQU-HZSPNIEDSA-N 2 0 345.468 4.114 20 5 EIBDRP Cc1c([C@@H](C)[NH2+]CCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000480618599 1041435870 /nfs/dbraw/zinc/43/58/70/1041435870.db2.gz AOSHVSZVHUPDSX-QGZVFWFLSA-N 2 0 333.476 4.066 20 5 EIBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248404293 1042821715 /nfs/dbraw/zinc/82/17/15/1042821715.db2.gz PXWRKSHUKXJITK-IKGGRYGDSA-N 2 0 345.487 4.207 20 5 EIBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610367495 1021542595 /nfs/dbraw/zinc/54/25/95/1021542595.db2.gz KQCOIFVLARQLKO-QGZVFWFLSA-N 2 0 345.487 4.244 20 5 EIBDRP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480610942 1030504398 /nfs/dbraw/zinc/50/43/98/1030504398.db2.gz LNLOBDKLLBYSEE-WBVHZDCISA-N 2 0 333.476 4.066 20 5 EIBDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449528466 1031822231 /nfs/dbraw/zinc/82/22/31/1031822231.db2.gz PQNQGUHCAXISFV-UHFFFAOYSA-N 2 0 345.443 4.065 20 5 EIBDRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000183195491 1035337589 /nfs/dbraw/zinc/33/75/89/1035337589.db2.gz IGYKZUOQMAWHLY-VPWXQRGCSA-N 2 0 345.487 4.289 20 5 EIBDRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423436944 1038235770 /nfs/dbraw/zinc/23/57/70/1038235770.db2.gz QCVHNRSCJCVLNO-ZIAGYGMSSA-N 2 0 347.484 4.491 20 5 EIBDRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000481954971 1039911336 /nfs/dbraw/zinc/91/13/36/1039911336.db2.gz RTOAQWAUVYPBTB-AWEZNQCLSA-N 2 0 347.484 4.316 20 5 EIBDRP CC1(C)C[C@H]([NH2+]CCCCC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000551265695 1040125136 /nfs/dbraw/zinc/12/51/36/1040125136.db2.gz YRJWNTHTJLNLHU-IBGZPJMESA-N 2 0 345.487 4.173 20 5 EIBDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480644520 1041443900 /nfs/dbraw/zinc/44/39/00/1041443900.db2.gz VJBBSEXLESXQKA-BBWFWOEESA-N 2 0 333.476 4.004 20 5 EIBDRP Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000480634045 1041446741 /nfs/dbraw/zinc/44/67/41/1041446741.db2.gz YZLZWJJADAOCSK-IRXDYDNUSA-N 2 0 333.476 4.208 20 5 EIBDRP CCC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000123663898 1044748948 /nfs/dbraw/zinc/74/89/48/1044748948.db2.gz PKLTVEBKQWLIPF-HXUWFJFHSA-N 2 0 341.455 4.287 20 5 EIBDRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090775295 1045830527 /nfs/dbraw/zinc/83/05/27/1045830527.db2.gz BOPVNOWXIGJVOB-IVMQYODDSA-N 2 0 345.487 4.289 20 5 EIBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173223433 1050354715 /nfs/dbraw/zinc/35/47/15/1050354715.db2.gz IRATZWCZHWUASC-KBAYOESNSA-N 2 0 347.503 4.144 20 5 EIBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173229563 1050357241 /nfs/dbraw/zinc/35/72/41/1050357241.db2.gz NLBYDNSTAHQDKO-IEZWGBDMSA-N 2 0 345.487 4.040 20 5 EIBDRP