smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([N+](=O)[O-])c(N2CCN(c3cccc[nH+]3)CC2)n1Cc1ccccc1 ZINC000003832887 204019772 /nfs/dbraw/zinc/01/97/72/204019772.db2.gz FLYIWANIVQCZNQ-UHFFFAOYSA-N 1 2 378.436 2.870 50 5 GFBALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000048290652 205118036 /nfs/dbraw/zinc/11/80/36/205118036.db2.gz FMKQGVIVABHGFD-UHFFFAOYSA-N 1 2 392.419 2.706 50 5 GFBALO COc1cc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1O ZINC000097966161 570893253 /nfs/dbraw/zinc/89/32/53/570893253.db2.gz QYBSQGCHCHMSIZ-UHFFFAOYSA-N 1 2 387.436 2.635 50 5 GFBALO COc1cc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1O ZINC000097966161 570893257 /nfs/dbraw/zinc/89/32/57/570893257.db2.gz QYBSQGCHCHMSIZ-UHFFFAOYSA-N 1 2 387.436 2.635 50 5 GFBALO CC[NH+](CC)Cc1nnc2sc(COc3ccc(C)cc3[N+](=O)[O-])nn12 ZINC000071260565 205278663 /nfs/dbraw/zinc/27/86/63/205278663.db2.gz RPRFEXLLWKSFNK-UHFFFAOYSA-N 1 2 376.442 2.823 50 5 GFBALO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000024379699 570792582 /nfs/dbraw/zinc/79/25/82/570792582.db2.gz LVHVNEYVPDHCPJ-UHFFFAOYSA-N 1 2 399.447 2.756 50 5 GFBALO C[C@@H]1C[N@H+](Cc2ccccn2)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000225390728 206046256 /nfs/dbraw/zinc/04/62/56/206046256.db2.gz YFEGGCHKRPADTJ-OAHLLOKOSA-N 1 2 391.431 2.885 50 5 GFBALO C[C@@H]1C[N@@H+](Cc2ccccn2)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000225390728 206046258 /nfs/dbraw/zinc/04/62/58/206046258.db2.gz YFEGGCHKRPADTJ-OAHLLOKOSA-N 1 2 391.431 2.885 50 5 GFBALO COC(=O)c1cc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc([N+](=O)[O-])c1 ZINC000025183760 570742085 /nfs/dbraw/zinc/74/20/85/570742085.db2.gz KJIWXNPXGSPIAM-UHFFFAOYSA-N 1 2 380.360 2.879 50 5 GFBALO COc1ccc([C@@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c2[nH+]ccn2C)cc1 ZINC000012559518 570861417 /nfs/dbraw/zinc/86/14/17/570861417.db2.gz YGRWNVQPNCAXNN-QGZVFWFLSA-N 1 2 381.392 2.637 50 5 GFBALO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc([N+](=O)[O-])c1O ZINC000003880039 204020820 /nfs/dbraw/zinc/02/08/20/204020820.db2.gz CMLSOANBAOXYQA-UHFFFAOYSA-N 1 2 388.380 2.539 50 5 GFBALO Cc1[nH+]c2ccccc2n1CCNC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008135627 204263281 /nfs/dbraw/zinc/26/32/81/204263281.db2.gz PYORBIZIOASIPV-VOTSOKGWSA-N 1 2 394.387 2.811 50 5 GFBALO O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000138277442 570518128 /nfs/dbraw/zinc/51/81/28/570518128.db2.gz RXNOHIQAEWJFEK-BDXSIMOUSA-N 1 2 389.367 2.916 50 5 GFBALO O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000138277442 570518133 /nfs/dbraw/zinc/51/81/33/570518133.db2.gz RXNOHIQAEWJFEK-BDXSIMOUSA-N 1 2 389.367 2.916 50 5 GFBALO COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000012760341 571010946 /nfs/dbraw/zinc/01/09/46/571010946.db2.gz NPSZGUCYHZGSBR-UHFFFAOYSA-N 1 2 399.451 2.930 50 5 GFBALO C[C@@H](Sc1ccsc1[N+](=O)[O-])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000005035977 204105891 /nfs/dbraw/zinc/10/58/91/204105891.db2.gz UFAFQWRIFDXLTF-GFCCVEGCSA-N 1 2 378.479 2.881 50 5 GFBALO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[NH+]1CCOCC1 ZINC000032803835 551131849 /nfs/dbraw/zinc/13/18/49/551131849.db2.gz DBENSUPJGMNKOU-UHFFFAOYSA-N 1 2 381.230 2.650 50 5 GFBALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000247808036 570248804 /nfs/dbraw/zinc/24/88/04/570248804.db2.gz AXZHCJRDERESNG-VUCTXSBTSA-N 1 2 376.409 2.767 50 5 GFBALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000247808036 570248808 /nfs/dbraw/zinc/24/88/08/570248808.db2.gz AXZHCJRDERESNG-VUCTXSBTSA-N 1 2 376.409 2.767 50 5 GFBALO Cc1cccc(C[NH+]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000045797761 570997325 /nfs/dbraw/zinc/99/73/25/570997325.db2.gz NYKBLJUSHZHJCF-UHFFFAOYSA-N 1 2 389.477 2.551 50 5 GFBALO O=C(Nc1ccccc1C(=O)NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000002150099 570967720 /nfs/dbraw/zinc/96/77/20/570967720.db2.gz MJAUFJFBKDJDFA-UHFFFAOYSA-N 1 2 393.403 2.864 50 5 GFBALO CCCCNC(=O)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000004660426 204060209 /nfs/dbraw/zinc/06/02/09/204060209.db2.gz JZQSCTUOGWHWGJ-UHFFFAOYSA-N 1 2 383.452 2.846 50 5 GFBALO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000029530008 208964550 /nfs/dbraw/zinc/96/45/50/208964550.db2.gz CDZDGCIWDSGNSR-MRXNPFEDSA-N 1 2 397.479 2.666 50 5 GFBALO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000019842586 207166831 /nfs/dbraw/zinc/16/68/31/207166831.db2.gz XXQLYMQJNVIHFC-UHFFFAOYSA-N 1 2 389.477 2.664 50 5 GFBALO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C1 ZINC000095350166 208157662 /nfs/dbraw/zinc/15/76/62/208157662.db2.gz UOEJKKTXLQNLFH-UHFFFAOYSA-N 1 2 381.841 2.889 50 5 GFBALO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C1 ZINC000095350166 208157667 /nfs/dbraw/zinc/15/76/67/208157667.db2.gz UOEJKKTXLQNLFH-UHFFFAOYSA-N 1 2 381.841 2.889 50 5 GFBALO C[C@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000035593285 570399046 /nfs/dbraw/zinc/39/90/46/570399046.db2.gz TUHWLSCTTFSKOE-GOEBONIOSA-N 1 2 396.513 2.522 50 5 GFBALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000025174888 570740047 /nfs/dbraw/zinc/74/00/47/570740047.db2.gz DTHCJVZOFNRYBU-UHFFFAOYSA-N 1 2 389.375 2.673 50 5 GFBALO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019848206 206252098 /nfs/dbraw/zinc/25/20/98/206252098.db2.gz ZZMAQXQYAFQFBB-UHFFFAOYSA-N 1 2 395.868 2.755 50 5 GFBALO C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020311858 207188271 /nfs/dbraw/zinc/18/82/71/207188271.db2.gz FMVWEOAJEFFOEM-HNNXBMFYSA-N 1 2 387.411 2.846 50 5 GFBALO CC(=O)Nc1ccc(OC[C@H](O)Cn2cc[nH+]c2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000040158408 207357500 /nfs/dbraw/zinc/35/75/00/207357500.db2.gz IHTUOLICXYULNM-GOSISDBHSA-N 1 2 396.403 2.857 50 5 GFBALO Cc1sc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000084028521 208086792 /nfs/dbraw/zinc/08/67/92/208086792.db2.gz ZKLBVKCABBUBDL-UHFFFAOYSA-N 1 2 375.450 2.727 50 5 GFBALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000009154134 221071313 /nfs/dbraw/zinc/07/13/13/221071313.db2.gz MVIBTAFDJYIGBS-GOSISDBHSA-N 1 2 384.367 2.752 50 5 GFBALO COc1ccc([C@H](Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c2[nH+]ccn2C)cc1 ZINC000012559520 570861542 /nfs/dbraw/zinc/86/15/42/570861542.db2.gz YGRWNVQPNCAXNN-KRWDZBQOSA-N 1 2 381.392 2.637 50 5 GFBALO Cc1cccn2cc(COC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)[nH+]c12 ZINC000024984864 207298506 /nfs/dbraw/zinc/29/85/06/207298506.db2.gz YNINMIVEDSIZEO-UHFFFAOYSA-N 1 2 396.403 2.745 50 5 GFBALO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000241815990 209020539 /nfs/dbraw/zinc/02/05/39/209020539.db2.gz SESCUVTUTUHSEW-XJKSGUPXSA-N 1 2 390.831 2.519 50 5 GFBALO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000241815990 209020542 /nfs/dbraw/zinc/02/05/42/209020542.db2.gz SESCUVTUTUHSEW-XJKSGUPXSA-N 1 2 390.831 2.519 50 5 GFBALO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000006270235 570354208 /nfs/dbraw/zinc/35/42/08/570354208.db2.gz XHFJAFYGTYSRMA-UHFFFAOYSA-N 1 2 381.436 2.552 50 5 GFBALO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000016629041 207075320 /nfs/dbraw/zinc/07/53/20/207075320.db2.gz KDZFLXUZEAHQGB-CYBMUJFWSA-N 1 2 391.811 2.959 50 5 GFBALO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000016629041 207075323 /nfs/dbraw/zinc/07/53/23/207075323.db2.gz KDZFLXUZEAHQGB-CYBMUJFWSA-N 1 2 391.811 2.959 50 5 GFBALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000019551561 207133146 /nfs/dbraw/zinc/13/31/46/207133146.db2.gz HDHPISQVAHJJFB-UHFFFAOYSA-N 1 2 385.420 2.570 50 5 GFBALO COc1cc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc(OC)c1O ZINC000097966157 208364450 /nfs/dbraw/zinc/36/44/50/208364450.db2.gz OUZLLAKEIKMUKZ-UHFFFAOYSA-N 1 2 387.436 2.635 50 5 GFBALO COc1cc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc(OC)c1O ZINC000097966157 208364456 /nfs/dbraw/zinc/36/44/56/208364456.db2.gz OUZLLAKEIKMUKZ-UHFFFAOYSA-N 1 2 387.436 2.635 50 5 GFBALO COc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)CC2)cc1 ZINC000024308825 570497948 /nfs/dbraw/zinc/49/79/48/570497948.db2.gz ULNPPBRLVJHEBZ-UHFFFAOYSA-N 1 2 398.463 2.627 50 5 GFBALO Cc1nn(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000072312387 570648690 /nfs/dbraw/zinc/64/86/90/570648690.db2.gz TZFUDQGAQJZVJX-UHFFFAOYSA-N 1 2 390.444 2.595 50 5 GFBALO C[NH+]1CCN(c2cc(C(F)(F)F)cnc2C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001401437 206379815 /nfs/dbraw/zinc/37/98/15/206379815.db2.gz PQVMMGQOKSEWDJ-UHFFFAOYSA-N 1 2 394.353 2.991 50 5 GFBALO C[NH2+][C@H](c1nnnn1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000019907499 207169495 /nfs/dbraw/zinc/16/94/95/207169495.db2.gz AOOYOZZBDLZJGC-AWEZNQCLSA-N 1 2 389.213 2.642 50 5 GFBALO COc1cc(OC)cc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn2C)c1 ZINC000016471362 221363345 /nfs/dbraw/zinc/36/33/45/221363345.db2.gz AGIPWEASYLXQLZ-SFHVURJKSA-N 1 2 396.403 2.865 50 5 GFBALO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000048365944 570245891 /nfs/dbraw/zinc/24/58/91/570245891.db2.gz VATPXQSCXOTBEA-UHFFFAOYSA-N 1 2 396.447 2.736 50 5 GFBALO C[C@@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000035593287 570399199 /nfs/dbraw/zinc/39/91/99/570399199.db2.gz TUHWLSCTTFSKOE-ZBFHGGJFSA-N 1 2 396.513 2.522 50 5 GFBALO CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000009112048 221070842 /nfs/dbraw/zinc/07/08/42/221070842.db2.gz RCRJQPDBITWPCC-UHFFFAOYSA-N 1 2 380.360 2.781 50 5 GFBALO Cc1c(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000022465171 570897952 /nfs/dbraw/zinc/89/79/52/570897952.db2.gz LOQGMMDRQKGZSO-UHFFFAOYSA-N 1 2 382.420 2.543 50 5 GFBALO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000020010927 210311022 /nfs/dbraw/zinc/31/10/22/210311022.db2.gz FNDVGQNYHUOILV-UHFFFAOYSA-N 1 2 385.420 2.570 50 5 GFBALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247845207 570319769 /nfs/dbraw/zinc/31/97/69/570319769.db2.gz PLHQAKCOJSHTIE-JOQOYGCGSA-N 1 2 398.419 2.727 50 5 GFBALO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1[N+](=O)[O-] ZINC000024135059 570432773 /nfs/dbraw/zinc/43/27/73/570432773.db2.gz VQECLHIRCQAMIS-UHFFFAOYSA-N 1 2 381.432 2.796 50 5 GFBALO Cc1ccc2[nH]c([C@@H]3CCCN(c4ncc([N+](=O)[O-])cc4C(N)=O)C3)[nH+]c2c1 ZINC000096006337 136183282 /nfs/dbraw/zinc/18/32/82/136183282.db2.gz PJTOYPXXELJGPJ-GFCCVEGCSA-N 1 2 380.408 2.657 50 5 GFBALO CNc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000024208190 570475068 /nfs/dbraw/zinc/47/50/68/570475068.db2.gz QSXGSBIEYCMAAS-IBGZPJMESA-N 1 2 398.463 2.748 50 5 GFBALO CC(=O)c1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1 ZINC000096403143 136187114 /nfs/dbraw/zinc/18/71/14/136187114.db2.gz VTARPNVNEVQHIW-UHFFFAOYSA-N 1 2 397.431 2.891 50 5 GFBALO CN(C)c1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c[nH+]1 ZINC000012517290 570826108 /nfs/dbraw/zinc/82/61/08/570826108.db2.gz CORUUIXDOOHHFU-UHFFFAOYSA-N 1 2 391.453 2.584 50 5 GFBALO C[C@H]1CCCC[C@@H]1Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000035593288 570399140 /nfs/dbraw/zinc/39/91/40/570399140.db2.gz TUHWLSCTTFSKOE-HOCLYGCPSA-N 1 2 396.513 2.522 50 5 GFBALO O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NCCCn1cc[nH+]c1 ZINC000005207015 570506487 /nfs/dbraw/zinc/50/64/87/570506487.db2.gz HNKPIPOPLIVVRI-UHFFFAOYSA-N 1 2 377.400 2.728 50 5 GFBALO Cn1c(=O)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000019809231 210297656 /nfs/dbraw/zinc/29/76/56/210297656.db2.gz DSJUMZQGIHRGOY-UHFFFAOYSA-N 1 2 396.422 2.908 50 5 GFBALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000024367581 570720347 /nfs/dbraw/zinc/72/03/47/570720347.db2.gz QDDCWDILBDYBEE-OAHLLOKOSA-N 1 2 376.438 2.851 50 5 GFBALO Cc1c(C[NH+]2CCN(Cc3nnc4n3CCCCC4)CC2)cccc1[N+](=O)[O-] ZINC000048262658 570224867 /nfs/dbraw/zinc/22/48/67/570224867.db2.gz YCVYDRSBEJPRHF-UHFFFAOYSA-N 1 2 384.484 2.539 50 5 GFBALO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033317711 570524546 /nfs/dbraw/zinc/52/45/46/570524546.db2.gz NIYUNTJZZISBOG-ALCCZGGFSA-N 1 2 395.415 2.681 50 5 GFBALO COc1ccc(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000052741617 570793620 /nfs/dbraw/zinc/79/36/20/570793620.db2.gz QEDZLDDPAIMZLD-UHFFFAOYSA-N 1 2 375.450 2.665 50 5 GFBALO COc1cc(OC)cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn2C)c1 ZINC000016471361 210191801 /nfs/dbraw/zinc/19/18/01/210191801.db2.gz AGIPWEASYLXQLZ-GOSISDBHSA-N 1 2 396.403 2.865 50 5 GFBALO Cc1cc(N2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000012770959 210005549 /nfs/dbraw/zinc/00/55/49/210005549.db2.gz PBQHZERMDVLGDK-UHFFFAOYSA-N 1 2 399.451 2.544 50 5 GFBALO C[C@H](Sc1ccsc1[N+](=O)[O-])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000005035976 551095831 /nfs/dbraw/zinc/09/58/31/551095831.db2.gz UFAFQWRIFDXLTF-LBPRGKRZSA-N 1 2 378.479 2.881 50 5 GFBALO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000032923120 570934526 /nfs/dbraw/zinc/93/45/26/570934526.db2.gz PCDKDLFEFAQGOE-UHFFFAOYSA-N 1 2 382.399 2.772 50 5 GFBALO CCOc1c2oc(C(=O)N3CC[NH+](C)CC3)c(C)c2cc([N+](=O)[O-])c1OCC ZINC000000771844 212179364 /nfs/dbraw/zinc/17/93/64/212179364.db2.gz KFZYUPYVMRZVKA-UHFFFAOYSA-N 1 2 391.424 2.834 50 5 GFBALO Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000014240878 221305444 /nfs/dbraw/zinc/30/54/44/221305444.db2.gz VDFIRWUJLDILFR-UHFFFAOYSA-N 1 2 389.477 2.800 50 5 GFBALO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000014240878 221305448 /nfs/dbraw/zinc/30/54/48/221305448.db2.gz VDFIRWUJLDILFR-UHFFFAOYSA-N 1 2 389.477 2.800 50 5 GFBALO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000045797770 570997279 /nfs/dbraw/zinc/99/72/79/570997279.db2.gz BJSQNZIINGCOMK-UHFFFAOYSA-N 1 2 389.477 2.551 50 5 GFBALO O=[N+]([O-])c1ccc(-c2nc3ccccc3c(NCC[NH+]3CCOCC3)n2)cc1 ZINC000019792020 221454150 /nfs/dbraw/zinc/45/41/50/221454150.db2.gz CYHMICNZCNNMLV-UHFFFAOYSA-N 1 2 379.420 2.949 50 5 GFBALO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCN(c4ccc(O)cc4)CC3)o2)cc1 ZINC000023750438 570332316 /nfs/dbraw/zinc/33/23/16/570332316.db2.gz UDNBCPYUNMKXJZ-UHFFFAOYSA-N 1 2 381.392 2.673 50 5 GFBALO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccccc1C[NH+]1CCOCC1 ZINC000024335962 570511204 /nfs/dbraw/zinc/51/12/04/570511204.db2.gz QOJDPYBHPQOFGI-UHFFFAOYSA-N 1 2 398.463 2.545 50 5 GFBALO Cc1sc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000032930493 570944145 /nfs/dbraw/zinc/94/41/45/570944145.db2.gz SAROPFCBAQRBIZ-TXEJJXNPSA-N 1 2 390.465 2.903 50 5 GFBALO COc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000012905387 221243807 /nfs/dbraw/zinc/24/38/07/221243807.db2.gz MDSWBNSOUKYZGZ-SFHVURJKSA-N 1 2 399.447 2.715 50 5 GFBALO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000058439295 222054287 /nfs/dbraw/zinc/05/42/87/222054287.db2.gz UBDDMCWILCGZOY-OAHLLOKOSA-N 1 2 390.484 2.714 50 5 GFBALO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000058439294 222054374 /nfs/dbraw/zinc/05/43/74/222054374.db2.gz UBDDMCWILCGZOY-HNNXBMFYSA-N 1 2 390.484 2.714 50 5 GFBALO O=c1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc2ccc(Cl)cn12 ZINC000048374564 570249484 /nfs/dbraw/zinc/24/94/84/570249484.db2.gz ZVLXFYSEKKPEII-UHFFFAOYSA-N 1 2 399.838 2.578 50 5 GFBALO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000044756353 570976492 /nfs/dbraw/zinc/97/64/92/570976492.db2.gz MKNKNIFPHHXNBA-AWEZNQCLSA-N 1 2 396.403 2.811 50 5 GFBALO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000044756353 570976495 /nfs/dbraw/zinc/97/64/95/570976495.db2.gz MKNKNIFPHHXNBA-AWEZNQCLSA-N 1 2 396.403 2.811 50 5 GFBALO Cc1ccc2[nH+]c(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cn2c1 ZINC000016654277 221368304 /nfs/dbraw/zinc/36/83/04/221368304.db2.gz ZYMCZUGJWLPDSX-UHFFFAOYSA-N 1 2 396.403 2.745 50 5 GFBALO Cc1ccc(C(=O)C[C@@H](NN2CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019169085 221399208 /nfs/dbraw/zinc/39/92/08/221399208.db2.gz JRVAZWDOLFNSOJ-HXUWFJFHSA-N 1 2 382.464 2.969 50 5 GFBALO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012554176 221205459 /nfs/dbraw/zinc/20/54/59/221205459.db2.gz LCGPKBWHVUTKLU-UHFFFAOYSA-N 1 2 398.463 2.810 50 5 GFBALO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012554176 221205464 /nfs/dbraw/zinc/20/54/64/221205464.db2.gz LCGPKBWHVUTKLU-UHFFFAOYSA-N 1 2 398.463 2.810 50 5 GFBALO COc1ccccc1[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000012628267 221215654 /nfs/dbraw/zinc/21/56/54/221215654.db2.gz CSUKWTTZWVTLHK-KRWDZBQOSA-N 1 2 381.392 2.637 50 5 GFBALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1)[nH]c2=O ZINC000016685385 221368473 /nfs/dbraw/zinc/36/84/73/221368473.db2.gz PBIXFSKASANXLA-LBPRGKRZSA-N 1 2 396.403 2.811 50 5 GFBALO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1)[nH]c2=O ZINC000016685385 221368476 /nfs/dbraw/zinc/36/84/76/221368476.db2.gz PBIXFSKASANXLA-LBPRGKRZSA-N 1 2 396.403 2.811 50 5 GFBALO Cc1ccc(C(=O)C[C@H](NN2CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019169082 221398801 /nfs/dbraw/zinc/39/88/01/221398801.db2.gz JRVAZWDOLFNSOJ-FQEVSTJZSA-N 1 2 382.464 2.969 50 5 GFBALO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000036008009 221838015 /nfs/dbraw/zinc/83/80/15/221838015.db2.gz TZFKHHDAHLLHMV-UHFFFAOYSA-N 1 2 389.477 2.534 50 5 GFBALO O=C(Nc1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nc1)C1CC1 ZINC000034681503 570299853 /nfs/dbraw/zinc/29/98/53/570299853.db2.gz QKONVLAPWNQAJS-UHFFFAOYSA-N 1 2 381.436 2.661 50 5 GFBALO C[NH2+][C@@H](c1nnnn1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000036123732 570545620 /nfs/dbraw/zinc/54/56/20/570545620.db2.gz ZKZOCVPSSVKPOV-CQSZACIVSA-N 1 2 389.213 2.642 50 5 GFBALO CCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000006801359 570603572 /nfs/dbraw/zinc/60/35/72/570603572.db2.gz LMHPWJWOSLXRFA-UHFFFAOYSA-N 1 2 383.452 2.651 50 5 GFBALO O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000032853700 570854625 /nfs/dbraw/zinc/85/46/25/570854625.db2.gz NHMPBCYFNNDGDM-UHFFFAOYSA-N 1 2 380.408 2.592 50 5 GFBALO Cn1cc[nH+]c1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000012580095 221209499 /nfs/dbraw/zinc/20/94/99/221209499.db2.gz YYKYDJUXHNDNTP-QGZVFWFLSA-N 1 2 386.433 2.933 50 5 GFBALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1)[nH]c2=O ZINC000016685387 221368022 /nfs/dbraw/zinc/36/80/22/221368022.db2.gz PBIXFSKASANXLA-GFCCVEGCSA-N 1 2 396.403 2.811 50 5 GFBALO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1)[nH]c2=O ZINC000016685387 221368027 /nfs/dbraw/zinc/36/80/27/221368027.db2.gz PBIXFSKASANXLA-GFCCVEGCSA-N 1 2 396.403 2.811 50 5 GFBALO Cc1ccc2c(C[NH+]3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)cc(=O)oc2c1 ZINC000065322102 222123840 /nfs/dbraw/zinc/12/38/40/222123840.db2.gz ULKSXRRWOOOINV-UHFFFAOYSA-N 1 2 397.387 2.561 50 5 GFBALO Cc1csc(Sc2ccc(C(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])n1 ZINC000022356870 551117385 /nfs/dbraw/zinc/11/73/85/551117385.db2.gz CHLHYPUDIODKDG-UHFFFAOYSA-N 1 2 378.479 2.899 50 5 GFBALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000024664443 570277990 /nfs/dbraw/zinc/27/79/90/570277990.db2.gz USTVZBVKEGBTAW-UHFFFAOYSA-N 1 2 399.447 2.878 50 5 GFBALO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000014245569 570303103 /nfs/dbraw/zinc/30/31/03/570303103.db2.gz QSBJYDUBHNARCY-UHFFFAOYSA-N 1 2 381.388 2.734 50 5 GFBALO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000024833975 570311065 /nfs/dbraw/zinc/31/10/65/570311065.db2.gz BLNHISBCJLFUGZ-XTXLJPNXSA-N 1 2 381.432 2.798 50 5 GFBALO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1COc2ccccc2O1 ZINC000016629043 570455613 /nfs/dbraw/zinc/45/56/13/570455613.db2.gz KDZFLXUZEAHQGB-ZDUSSCGKSA-N 1 2 391.811 2.959 50 5 GFBALO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1COc2ccccc2O1 ZINC000016629043 570455618 /nfs/dbraw/zinc/45/56/18/570455618.db2.gz KDZFLXUZEAHQGB-ZDUSSCGKSA-N 1 2 391.811 2.959 50 5 GFBALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000033017158 570630552 /nfs/dbraw/zinc/63/05/52/570630552.db2.gz JHULBBIVCUQXNB-UHFFFAOYSA-N 1 2 392.419 2.706 50 5 GFBALO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000044756351 570976370 /nfs/dbraw/zinc/97/63/70/570976370.db2.gz MKNKNIFPHHXNBA-CQSZACIVSA-N 1 2 396.403 2.811 50 5 GFBALO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000044756351 570976372 /nfs/dbraw/zinc/97/63/72/570976372.db2.gz MKNKNIFPHHXNBA-CQSZACIVSA-N 1 2 396.403 2.811 50 5 GFBALO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000017286245 570702589 /nfs/dbraw/zinc/70/25/89/570702589.db2.gz WNMDKVDCZGLROY-FQEVSTJZSA-N 1 2 380.448 2.737 50 5 GFBALO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539598 570963611 /nfs/dbraw/zinc/96/36/11/570963611.db2.gz VWFNVSIIUJZMAB-ZDUSSCGKSA-N 1 2 392.456 2.911 50 5 GFBALO CNc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] ZINC000024301824 570489181 /nfs/dbraw/zinc/48/91/81/570489181.db2.gz FJRNZHLNIMAXIC-UHFFFAOYSA-N 1 2 396.447 2.529 50 5 GFBALO CCc1[nH+]c2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024981583 570655502 /nfs/dbraw/zinc/65/55/02/570655502.db2.gz SOYWSAIPBQELNG-UHFFFAOYSA-N 1 2 382.376 2.689 50 5 GFBALO Cc1ccc(Oc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])cc1 ZINC000034854192 570803690 /nfs/dbraw/zinc/80/36/90/570803690.db2.gz RIIVEZQCOPAEFP-UHFFFAOYSA-N 1 2 391.449 2.632 50 5 GFBALO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000016629000 570455391 /nfs/dbraw/zinc/45/53/91/570455391.db2.gz FEKFYGDXKBISJF-CYBMUJFWSA-N 1 2 391.811 2.959 50 5 GFBALO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000016629000 570455394 /nfs/dbraw/zinc/45/53/94/570455394.db2.gz FEKFYGDXKBISJF-CYBMUJFWSA-N 1 2 391.811 2.959 50 5 GFBALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000009154135 204300688 /nfs/dbraw/zinc/30/06/88/204300688.db2.gz MVIBTAFDJYIGBS-SFHVURJKSA-N 1 2 384.367 2.752 50 5 GFBALO Cc1sc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000032930492 206095881 /nfs/dbraw/zinc/09/58/81/206095881.db2.gz SAROPFCBAQRBIZ-VXGBXAGGSA-N 1 2 390.465 2.903 50 5 GFBALO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000241815989 206128237 /nfs/dbraw/zinc/12/82/37/206128237.db2.gz SESCUVTUTUHSEW-CZUORRHYSA-N 1 2 390.831 2.519 50 5 GFBALO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000241815989 206128243 /nfs/dbraw/zinc/12/82/43/206128243.db2.gz SESCUVTUTUHSEW-CZUORRHYSA-N 1 2 390.831 2.519 50 5 GFBALO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000032932944 570946094 /nfs/dbraw/zinc/94/60/94/570946094.db2.gz NQVQVJAZTAFMOU-UHFFFAOYSA-N 1 2 378.454 2.623 50 5 GFBALO Cc1[nH]c(-c2cccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)c2)[nH+]c1C ZINC000048341429 570239583 /nfs/dbraw/zinc/23/95/83/570239583.db2.gz CIEDKZQBVSSGRS-UHFFFAOYSA-N 1 2 393.403 2.970 50 5 GFBALO COc1cc2c(cc1OC)C[N@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000032923130 570934368 /nfs/dbraw/zinc/93/43/68/570934368.db2.gz HFAITXXKLKCFSO-UHFFFAOYSA-N 1 2 395.419 2.886 50 5 GFBALO COc1cc2c(cc1OC)C[N@@H+](Cn1cnc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000032923130 570934369 /nfs/dbraw/zinc/93/43/69/570934369.db2.gz HFAITXXKLKCFSO-UHFFFAOYSA-N 1 2 395.419 2.886 50 5 GFBALO O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019595125 207144386 /nfs/dbraw/zinc/14/43/86/207144386.db2.gz JQDFPCJJXCFNRP-QPJJXVBHSA-N 1 2 396.403 2.974 50 5 GFBALO Cc1c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cccc1[N+](=O)[O-] ZINC000019866693 207167809 /nfs/dbraw/zinc/16/78/09/207167809.db2.gz KRLRLLAUMXTMBA-UHFFFAOYSA-N 1 2 383.404 2.590 50 5 GFBALO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000024367587 207290495 /nfs/dbraw/zinc/29/04/95/207290495.db2.gz QDDCWDILBDYBEE-HNNXBMFYSA-N 1 2 376.438 2.851 50 5 GFBALO COc1ccc(NC(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000029475679 207361663 /nfs/dbraw/zinc/36/16/63/207361663.db2.gz DYCODHGQUXRVNU-OAQYLSRUSA-N 1 2 399.447 2.988 50 5 GFBALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000046705319 570872808 /nfs/dbraw/zinc/87/28/08/570872808.db2.gz LBEQTOBSTVWRQR-UHFFFAOYSA-N 1 2 392.419 2.706 50 5 GFBALO Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000044653795 570976078 /nfs/dbraw/zinc/97/60/78/570976078.db2.gz GKYXBJIZSGEIEM-ZDUSSCGKSA-N 1 2 382.424 2.660 50 5 GFBALO Cn1cc[nH+]c1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000012580087 206916390 /nfs/dbraw/zinc/91/63/90/206916390.db2.gz YYKYDJUXHNDNTP-KRWDZBQOSA-N 1 2 386.433 2.933 50 5 GFBALO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020352270 207189142 /nfs/dbraw/zinc/18/91/42/207189142.db2.gz ZGYRFDKWUFVMBI-UHFFFAOYSA-N 1 2 384.392 2.673 50 5 GFBALO COc1cc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1O ZINC000095117850 208155636 /nfs/dbraw/zinc/15/56/36/208155636.db2.gz BIAYWIAXTZZIMK-UHFFFAOYSA-N 1 2 387.436 2.635 50 5 GFBALO COc1cc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1O ZINC000095117850 208155645 /nfs/dbraw/zinc/15/56/45/208155645.db2.gz BIAYWIAXTZZIMK-UHFFFAOYSA-N 1 2 387.436 2.635 50 5 GFBALO CC[N@H+](CC(=O)NC(C)C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000014111182 207010568 /nfs/dbraw/zinc/01/05/68/207010568.db2.gz CLVGHKPHRHLRKQ-UHFFFAOYSA-N 1 2 375.372 2.551 50 5 GFBALO CC[N@@H+](CC(=O)NC(C)C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000014111182 207010571 /nfs/dbraw/zinc/01/05/71/207010571.db2.gz CLVGHKPHRHLRKQ-UHFFFAOYSA-N 1 2 375.372 2.551 50 5 GFBALO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000019866178 207168658 /nfs/dbraw/zinc/16/86/58/207168658.db2.gz ISWVUYGWTNZQPZ-UHFFFAOYSA-N 1 2 383.404 2.590 50 5 GFBALO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000019831636 207164606 /nfs/dbraw/zinc/16/46/06/207164606.db2.gz GEGIKKOQJRVKCM-UHFFFAOYSA-N 1 2 385.420 2.570 50 5 GFBALO CC(C)(C)OC(=O)NC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048272307 570225602 /nfs/dbraw/zinc/22/56/02/570225602.db2.gz ZLLDIZNEUOHVPR-UHFFFAOYSA-N 1 2 375.429 2.891 50 5 GFBALO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000035073507 570227182 /nfs/dbraw/zinc/22/71/82/570227182.db2.gz CMJDIUGAIQMYEE-UHFFFAOYSA-N 1 2 389.477 2.534 50 5 GFBALO Cc1cc(N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)nc(C(C)C)[nH+]1 ZINC000011009984 570426308 /nfs/dbraw/zinc/42/63/08/570426308.db2.gz YNBDBCYDEVFHMV-UHFFFAOYSA-N 1 2 399.451 2.544 50 5 GFBALO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000020295329 207186073 /nfs/dbraw/zinc/18/60/73/207186073.db2.gz DFXUFBVSZPXCCV-UHFFFAOYSA-N 1 2 384.392 2.769 50 5 GFBALO Cc1c(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cccc1[N+](=O)[O-] ZINC000024300315 207290318 /nfs/dbraw/zinc/29/03/18/207290318.db2.gz RMXOOJTYTABHQZ-UHFFFAOYSA-N 1 2 381.432 2.796 50 5 GFBALO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028623576 207345724 /nfs/dbraw/zinc/34/57/24/207345724.db2.gz JULRIKDEFXNXJL-UHFFFAOYSA-N 1 2 381.436 2.522 50 5 GFBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000252010185 526078151 /nfs/dbraw/zinc/07/81/51/526078151.db2.gz ROMALMYWVULERQ-YOEHRIQHSA-N 1 2 385.420 2.544 50 5 GFBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000252010185 526078163 /nfs/dbraw/zinc/07/81/63/526078163.db2.gz ROMALMYWVULERQ-YOEHRIQHSA-N 1 2 385.420 2.544 50 5 GFBALO O=C(C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000042110096 570885959 /nfs/dbraw/zinc/88/59/59/570885959.db2.gz DKXFNYWWMZOKEA-UHFFFAOYSA-N 1 2 397.479 2.668 50 5 GFBALO Cc1cccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-] ZINC000019807840 207163652 /nfs/dbraw/zinc/16/36/52/207163652.db2.gz KRKIQPBCGRJHLI-UHFFFAOYSA-N 1 2 383.404 2.590 50 5 GFBALO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000023171729 207271040 /nfs/dbraw/zinc/27/10/40/207271040.db2.gz LZDMEGOJDWPHLF-UHFFFAOYSA-N 1 2 388.855 2.800 50 5 GFBALO Cc1c(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000012512644 570824628 /nfs/dbraw/zinc/82/46/28/570824628.db2.gz LNEGHBSFRMTQII-UHFFFAOYSA-N 1 2 398.463 2.810 50 5 GFBALO Cc1c(NC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000012512644 570824630 /nfs/dbraw/zinc/82/46/30/570824630.db2.gz LNEGHBSFRMTQII-UHFFFAOYSA-N 1 2 398.463 2.810 50 5 GFBALO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000047539586 570963592 /nfs/dbraw/zinc/96/35/92/570963592.db2.gz ISDAWOMXBBDHRO-UHFFFAOYSA-N 1 2 378.429 2.522 50 5 GFBALO C[C@@H]1CCCC[C@H]1Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000035593283 570399232 /nfs/dbraw/zinc/39/92/32/570399232.db2.gz TUHWLSCTTFSKOE-GDBMZVCRSA-N 1 2 396.513 2.522 50 5 GFBALO C[NH+]1CCN(S(=O)(=O)c2ccc(SC3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000035708991 570423740 /nfs/dbraw/zinc/42/37/40/570423740.db2.gz GDCNPZDHUJNQGL-UHFFFAOYSA-N 1 2 385.511 2.566 50 5 GFBALO Cc1sc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000032930494 570944202 /nfs/dbraw/zinc/94/42/02/570944202.db2.gz SAROPFCBAQRBIZ-RYUDHWBXSA-N 1 2 390.465 2.903 50 5 GFBALO C[NH2+][C@@H](c1nnnn1-c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000019907501 207170075 /nfs/dbraw/zinc/17/00/75/207170075.db2.gz AOOYOZZBDLZJGC-CQSZACIVSA-N 1 2 389.213 2.642 50 5 GFBALO CC[NH+](CC)Cc1nnc2sc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn12 ZINC000071260550 570673684 /nfs/dbraw/zinc/67/36/84/570673684.db2.gz VQNXMSUFBLRSEG-UHFFFAOYSA-N 1 2 377.386 2.511 50 5 GFBALO Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000044653798 570975937 /nfs/dbraw/zinc/97/59/37/570975937.db2.gz GKYXBJIZSGEIEM-CYBMUJFWSA-N 1 2 382.424 2.660 50 5 GFBALO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000017286249 210207456 /nfs/dbraw/zinc/20/74/56/210207456.db2.gz WNMDKVDCZGLROY-HXUWFJFHSA-N 1 2 380.448 2.737 50 5 GFBALO O=C(COc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019789952 210296373 /nfs/dbraw/zinc/29/63/73/210296373.db2.gz LHTOYOWNQIZUMN-UHFFFAOYSA-N 1 2 389.839 2.971 50 5 GFBALO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000058160433 136154606 /nfs/dbraw/zinc/15/46/06/136154606.db2.gz FRZCMIMAQQOHLF-UHFFFAOYSA-N 1 2 380.448 2.844 50 5 GFBALO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564727 136202168 /nfs/dbraw/zinc/20/21/68/136202168.db2.gz MBEZTIHKYUCWIA-INIZCTEOSA-N 1 2 380.448 2.695 50 5 GFBALO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539601 570963569 /nfs/dbraw/zinc/96/35/69/570963569.db2.gz VWFNVSIIUJZMAB-CYBMUJFWSA-N 1 2 392.456 2.911 50 5 GFBALO COC(=O)c1ccccc1NC(=O)Cn1c[nH+]cc1-c1ccc([N+](=O)[O-])cc1 ZINC000001075167 209296944 /nfs/dbraw/zinc/29/69/44/209296944.db2.gz JCLPWRSNTJYBMA-UHFFFAOYSA-N 1 2 380.360 2.884 50 5 GFBALO O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004885597 570355227 /nfs/dbraw/zinc/35/52/27/570355227.db2.gz JOKCCLWCDKUGHY-UHFFFAOYSA-N 1 2 395.463 2.943 50 5 GFBALO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cn3cc(Cl)ccc3[nH+]2)C1=O ZINC000032957710 570451399 /nfs/dbraw/zinc/45/13/99/570451399.db2.gz ZSQOASRYILGTMP-GOSISDBHSA-N 1 2 399.794 2.863 50 5 GFBALO CCOc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000030540295 210553533 /nfs/dbraw/zinc/55/35/33/210553533.db2.gz XINODZFFHHNBSC-SFHVURJKSA-N 1 2 399.447 2.797 50 5 GFBALO CCOc1cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1OC ZINC000019789925 210295211 /nfs/dbraw/zinc/29/52/11/210295211.db2.gz MJNAPRDSPRXTQM-UHFFFAOYSA-N 1 2 399.447 2.960 50 5 GFBALO O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](CN2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000002857555 209391221 /nfs/dbraw/zinc/39/12/21/209391221.db2.gz UWHKGMAZFDNPRL-GOSISDBHSA-N 1 2 395.525 2.709 50 5 GFBALO CC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096316914 136186273 /nfs/dbraw/zinc/18/62/73/136186273.db2.gz KFZYTARJCNIAAC-UHFFFAOYSA-N 1 2 395.463 2.830 50 5 GFBALO C[NH2+][C@H](c1nnnn1-c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000036123728 570545546 /nfs/dbraw/zinc/54/55/46/570545546.db2.gz ZKZOCVPSSVKPOV-AWEZNQCLSA-N 1 2 389.213 2.642 50 5 GFBALO CN(C)c1nc(N2CCCC2)[nH+]c2c1CN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000034755446 570796618 /nfs/dbraw/zinc/79/66/18/570796618.db2.gz CQMGTXCDFFVUJR-UHFFFAOYSA-N 1 2 382.468 2.609 50 5 GFBALO CN(C)c1nc(N2CCCC2)nc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000034755446 570796622 /nfs/dbraw/zinc/79/66/22/570796622.db2.gz CQMGTXCDFFVUJR-UHFFFAOYSA-N 1 2 382.468 2.609 50 5 GFBALO CN(C)c1nc(N2CCCC2)nc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000034755446 570796626 /nfs/dbraw/zinc/79/66/26/570796626.db2.gz CQMGTXCDFFVUJR-UHFFFAOYSA-N 1 2 382.468 2.609 50 5 GFBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000252010183 570925712 /nfs/dbraw/zinc/92/57/12/570925712.db2.gz ROMALMYWVULERQ-PBHICJAKSA-N 1 2 385.420 2.544 50 5 GFBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000252010183 570925716 /nfs/dbraw/zinc/92/57/16/570925716.db2.gz ROMALMYWVULERQ-PBHICJAKSA-N 1 2 385.420 2.544 50 5 GFBALO CC(=O)N1CC[NH+](Cc2c(-c3cccc([N+](=O)[O-])c3)nc3sc(C)cn23)CC1 ZINC000037400148 571007909 /nfs/dbraw/zinc/00/79/09/571007909.db2.gz SLLAZAHWMIQVCN-UHFFFAOYSA-N 1 2 399.476 2.944 50 5 GFBALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000012811463 210013722 /nfs/dbraw/zinc/01/37/22/210013722.db2.gz YFSSFEFVOUAQIE-UHFFFAOYSA-N 1 2 388.468 2.648 50 5 GFBALO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000065605426 136164136 /nfs/dbraw/zinc/16/41/36/136164136.db2.gz CXRAOWMGVFQDFX-CQSZACIVSA-N 1 2 380.876 2.771 50 5 GFBALO Cc1ccc2[nH]c([C@H]3CCCN(c4ncc([N+](=O)[O-])cc4C(N)=O)C3)[nH+]c2c1 ZINC000096006338 136183257 /nfs/dbraw/zinc/18/32/57/136183257.db2.gz PJTOYPXXELJGPJ-LBPRGKRZSA-N 1 2 380.408 2.657 50 5 GFBALO COc1ccc(OC)c(C[NH+]2CCN(c3cc(OC)ccc3[N+](=O)[O-])CC2)c1 ZINC000170624573 570880640 /nfs/dbraw/zinc/88/06/40/570880640.db2.gz XJRUAGKLEAARIQ-UHFFFAOYSA-N 1 2 387.436 2.943 50 5 GFBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016695416 210195137 /nfs/dbraw/zinc/19/51/37/210195137.db2.gz ROMALMYWVULERQ-RHSMWYFYSA-N 1 2 385.420 2.544 50 5 GFBALO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016695416 210195141 /nfs/dbraw/zinc/19/51/41/210195141.db2.gz ROMALMYWVULERQ-RHSMWYFYSA-N 1 2 385.420 2.544 50 5 GFBALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247845213 570319788 /nfs/dbraw/zinc/31/97/88/570319788.db2.gz PLHQAKCOJSHTIE-SIIHOXLZSA-N 1 2 398.419 2.727 50 5 GFBALO CNS(=O)(=O)c1ccc(Nc2ccc([NH+]3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000015168092 570786556 /nfs/dbraw/zinc/78/65/56/570786556.db2.gz QYDJJEWHNZLAIP-UHFFFAOYSA-N 1 2 376.438 2.847 50 5 GFBALO CN(C(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000024928701 570356651 /nfs/dbraw/zinc/35/66/51/570356651.db2.gz OHALSTZYEUOGGV-UHFFFAOYSA-N 1 2 398.463 2.526 50 5 GFBALO CN(C(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000024928701 570356655 /nfs/dbraw/zinc/35/66/55/570356655.db2.gz OHALSTZYEUOGGV-UHFFFAOYSA-N 1 2 398.463 2.526 50 5 GFBALO CCc1[nH+]c2ccccc2n1Cc1noc(Cn2nc(C)c([N+](=O)[O-])c2C)n1 ZINC000097141561 570899634 /nfs/dbraw/zinc/89/96/34/570899634.db2.gz WNFMHLZIAQNTAI-UHFFFAOYSA-N 1 2 381.396 2.800 50 5 GFBALO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000016629002 221365816 /nfs/dbraw/zinc/36/58/16/221365816.db2.gz FEKFYGDXKBISJF-ZDUSSCGKSA-N 1 2 391.811 2.959 50 5 GFBALO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000016629002 221365818 /nfs/dbraw/zinc/36/58/18/221365818.db2.gz FEKFYGDXKBISJF-ZDUSSCGKSA-N 1 2 391.811 2.959 50 5 GFBALO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cn3cc(Cl)ccc3[nH+]2)C1=O ZINC000032957709 221756289 /nfs/dbraw/zinc/75/62/89/221756289.db2.gz ZSQOASRYILGTMP-SFHVURJKSA-N 1 2 399.794 2.863 50 5 GFBALO C[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000065329802 222123637 /nfs/dbraw/zinc/12/36/37/222123637.db2.gz XWSFMGIYOLBZGP-UHFFFAOYSA-N 1 2 398.375 2.574 50 5 GFBALO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] ZINC000024135352 570433013 /nfs/dbraw/zinc/43/30/13/570433013.db2.gz RKCPESXCPFNMDX-UHFFFAOYSA-N 1 2 381.432 2.796 50 5 GFBALO Nc1cc(O)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000170597833 570856068 /nfs/dbraw/zinc/85/60/68/570856068.db2.gz KNTOZTKUYCSREI-UHFFFAOYSA-N 1 2 390.465 2.586 50 5 GFBALO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000062581403 222065951 /nfs/dbraw/zinc/06/59/51/222065951.db2.gz UXRXRWYKZSWLSP-UHFFFAOYSA-N 1 2 392.419 2.706 50 5 GFBALO O=[N+]([O-])c1cc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)cc([N+](=O)[O-])c1 ZINC000071260525 222178849 /nfs/dbraw/zinc/17/88/49/222178849.db2.gz KPCPVWICJRGNJX-UHFFFAOYSA-N 1 2 389.397 2.655 50 5 GFBALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000247808032 570248828 /nfs/dbraw/zinc/24/88/28/570248828.db2.gz AXZHCJRDERESNG-JLZZUVOBSA-N 1 2 376.409 2.767 50 5 GFBALO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000247808032 570248831 /nfs/dbraw/zinc/24/88/31/570248831.db2.gz AXZHCJRDERESNG-JLZZUVOBSA-N 1 2 376.409 2.767 50 5 GFBALO Cc1sc(C(=O)NCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000032827684 570840857 /nfs/dbraw/zinc/84/08/57/570840857.db2.gz LZKCPNJJWAVULG-UHFFFAOYSA-N 1 2 388.493 2.825 50 5 GFBALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000045882203 570998162 /nfs/dbraw/zinc/99/81/62/570998162.db2.gz JOOJAUHDPSNXJS-UHFFFAOYSA-N 1 2 392.419 2.706 50 5 GFBALO CNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246561 220696790 /nfs/dbraw/zinc/69/67/90/220696790.db2.gz JAPXAHRMOYGSCO-LLVKDONJSA-N 1 2 379.445 2.972 50 5 GFBALO CC(C)[N@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 ZINC000008706384 221050769 /nfs/dbraw/zinc/05/07/69/221050769.db2.gz ISBRJTQECRBALF-UHFFFAOYSA-N 1 2 385.399 2.769 50 5 GFBALO CC(C)[N@@H+](CC(N)=O)Cc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 ZINC000008706384 221050772 /nfs/dbraw/zinc/05/07/72/221050772.db2.gz ISBRJTQECRBALF-UHFFFAOYSA-N 1 2 385.399 2.769 50 5 GFBALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000040098652 132395624 /nfs/dbraw/zinc/39/56/24/132395624.db2.gz ZBYQRGKIMKPHCV-UHFFFAOYSA-N 1 2 391.815 2.802 50 5 GFBALO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000024833971 570311021 /nfs/dbraw/zinc/31/10/21/570311021.db2.gz BLNHISBCJLFUGZ-SQUSKLHYSA-N 1 2 381.432 2.798 50 5 GFBALO COc1ccc(C[NH+]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000025198866 570740586 /nfs/dbraw/zinc/74/05/86/570740586.db2.gz MTMPLZAAZNDGFQ-UHFFFAOYSA-N 1 2 387.411 2.629 50 5 GFBALO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000060935325 136155985 /nfs/dbraw/zinc/15/59/85/136155985.db2.gz CXRAOWMGVFQDFX-AWEZNQCLSA-N 1 2 380.876 2.771 50 5 GFBALO COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019758962 570216266 /nfs/dbraw/zinc/21/62/66/570216266.db2.gz YINZXAYTMAQIKL-UHFFFAOYSA-N 1 2 398.463 2.627 50 5 GFBALO CCN(CC)c1ccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c[nH+]1 ZINC000048280180 570231121 /nfs/dbraw/zinc/23/11/21/570231121.db2.gz QLQRTDVHTDTWNW-UHFFFAOYSA-N 1 2 394.435 2.952 50 5 GFBALO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000015102095 221332970 /nfs/dbraw/zinc/33/29/70/221332970.db2.gz LDXJHVDGXVBVHK-UHFFFAOYSA-N 1 2 393.440 2.631 50 5 GFBALO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000015102095 221332973 /nfs/dbraw/zinc/33/29/73/221332973.db2.gz LDXJHVDGXVBVHK-UHFFFAOYSA-N 1 2 393.440 2.631 50 5 GFBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016695417 221369901 /nfs/dbraw/zinc/36/99/01/221369901.db2.gz ROMALMYWVULERQ-WMLDXEAASA-N 1 2 385.420 2.544 50 5 GFBALO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016695417 221369904 /nfs/dbraw/zinc/36/99/04/221369904.db2.gz ROMALMYWVULERQ-WMLDXEAASA-N 1 2 385.420 2.544 50 5 GFBALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055448061 222023412 /nfs/dbraw/zinc/02/34/12/222023412.db2.gz PLHQAKCOJSHTIE-XUWXXGDYSA-N 1 2 398.419 2.727 50 5 GFBALO CNc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000024208196 570475178 /nfs/dbraw/zinc/47/51/78/570475178.db2.gz QSXGSBIEYCMAAS-LJQANCHMSA-N 1 2 398.463 2.748 50 5 GFBALO O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033239690 570855847 /nfs/dbraw/zinc/85/58/47/570855847.db2.gz LQZUFSINGCGIHD-UHFFFAOYSA-N 1 2 388.387 2.896 50 5 GFBALO COc1ccccc1[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000012628264 221215751 /nfs/dbraw/zinc/21/57/51/221215751.db2.gz CSUKWTTZWVTLHK-QGZVFWFLSA-N 1 2 381.392 2.637 50 5 GFBALO CCCCCn1ccc2cc3ccn(CC[NH+]4CCOCC4)c(=O)c3cc2c1=O ZINC000095115665 222329882 /nfs/dbraw/zinc/32/98/82/222329882.db2.gz RPCNGIUTZLFYRM-UHFFFAOYSA-N 1 2 395.503 2.839 50 5 GFBALO O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033391211 570297332 /nfs/dbraw/zinc/29/73/32/570297332.db2.gz JQDFPCJJXCFNRP-DAXSKMNVSA-N 1 2 396.403 2.974 50 5 GFBALO COc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000012905390 221243791 /nfs/dbraw/zinc/24/37/91/221243791.db2.gz MDSWBNSOUKYZGZ-GOSISDBHSA-N 1 2 399.447 2.715 50 5 GFBALO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564725 136202101 /nfs/dbraw/zinc/20/21/01/136202101.db2.gz MBEZTIHKYUCWIA-MRXNPFEDSA-N 1 2 380.448 2.695 50 5 GFBALO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023379452 570322536 /nfs/dbraw/zinc/32/25/36/570322536.db2.gz GKSIRIJOVFCKTL-QPJJXVBHSA-N 1 2 396.403 2.974 50 5 GFBALO O=[N+]([O-])c1ccc(NCCNc2nc(N3CCOCC3)[nH+]c3ccccc32)cc1 ZINC000004688317 570834379 /nfs/dbraw/zinc/83/43/79/570834379.db2.gz ULMLAWWSLBDCOE-UHFFFAOYSA-N 1 2 394.435 2.899 50 5 GFBALO